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 1h41_1_B DATA FIRST_RESID 5 DATA SEQUENCE EDGYDMWLRY QPIADQTLLK TYQKQIRHLH VAGDSPTINA AAAELQRGLS DATA SEQUENCE GLLNKPIVAR DEKLKDYSLV IGTPDNSPLI ASLNLGERLQ ALGAEGYLLE DATA SEQUENCE QTRINKRHVV IVAANSDVGV LYGSFHLLRL IQTQHALEKL SLSSAPRLQH DATA SEQUENCE RVVNHWDNLN RVVERGYAGL SLWDWGSLPN YLAPRYTDYA RINASLGING DATA SEQUENCE TVINNVNADP RVLSDQFLQK IAALADAFRP YGIKMYLSIN FNSPRAFGDV DATA SEQUENCE DTADPLDPRV QQWWKTRAQK IYSYIPDFGG FLVKADSAGQ PGPQGYGRDH DATA SEQUENCE AEGANMLAAA LKPFGGVVFW RAXXXXXXXE DRFRGAYDEF MPLDGKFADN DATA SEQUENCE VILQIKNGPI DFQPREPFSA LFAGMSRTNM MMEFQITQEY FGFATHLAYQ DATA SEQUENCE GPLFEESLKT ETHARGEGST IGNILEGKVF KTRHTGMAGV INPGTDRNWT DATA SEQUENCE GHPFVQSSWY AFGRMAWDHQ ISAATAADEW LRMTFSNQPA FIEPVKQMML DATA SEQUENCE VSREAGVNYR SPLGLTHLYS QGDHYGPAPW TDDLPRADWT AVYYHRASKT DATA SEQUENCE GIGFNRTKTG SNALAQYPEP IAKAWGDLNS VPEDLILWFH HLSWDHRMQS DATA SEQUENCE GRNLWQELVH KYYQGVEQVR AMQRTWDQQE AYVDAARFAQ VKALLQVQER DATA SEQUENCE EAVRWRNSCV LYFQSVAGRP IPANYEQPEH DLEYYKMLAR TTYVPEPWHP DATA SEQUENCE ASSSRVLK 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 5 E HA 0.000 nan 4.350 nan 0.000 0.291 5 E C 0.000 176.635 176.600 0.059 0.000 1.382 5 E CA 0.000 56.422 56.400 0.036 0.000 0.976 5 E CB 0.000 29.707 29.700 0.012 0.000 0.812 6 D N 0.185 120.620 120.400 0.059 0.000 2.563 6 D HA 0.225 4.865 4.640 -0.001 0.000 0.237 6 D C 1.137 177.499 176.300 0.104 0.000 1.282 6 D CA 0.290 54.337 54.000 0.079 0.000 0.816 6 D CB 0.667 41.506 40.800 0.064 0.000 1.066 6 D HN 0.796 nan 8.370 nan 0.000 0.501 7 G N 0.534 109.378 108.800 0.073 0.000 2.205 7 G HA2 -0.481 3.478 3.960 -0.001 0.000 0.261 7 G HA3 -0.481 3.478 3.960 -0.001 0.000 0.261 7 G C 0.798 175.780 174.900 0.136 0.000 0.980 7 G CA 0.440 45.582 45.100 0.070 0.000 0.632 7 G HN 0.378 nan 8.290 nan 0.000 0.533 8 Y N 1.771 122.114 120.300 0.072 0.000 2.274 8 Y HA 0.007 4.556 4.550 -0.000 0.000 0.290 8 Y C 2.194 178.205 175.900 0.185 0.000 1.145 8 Y CA 2.234 60.446 58.100 0.187 0.000 1.203 8 Y CB 0.120 38.622 38.460 0.070 0.000 0.984 8 Y HN 0.314 nan 8.280 nan 0.000 0.533 9 D N -0.109 120.277 120.400 -0.024 0.000 2.347 9 D HA -0.091 4.548 4.640 -0.001 0.000 0.215 9 D C 1.434 177.434 176.300 -0.500 0.000 0.976 9 D CA 0.917 54.767 54.000 -0.250 0.000 0.884 9 D CB 0.066 40.749 40.800 -0.196 0.000 0.915 9 D HN 0.361 nan 8.370 nan 0.000 0.526 10 M N -0.730 118.608 119.600 -0.437 0.000 7.319 10 M HA -0.294 4.185 4.480 -0.001 0.000 0.305 10 M C 1.020 177.012 176.300 -0.513 0.000 0.480 10 M CA 1.884 56.839 55.300 -0.577 0.000 1.311 10 M CB -1.972 29.930 32.600 -1.164 0.000 0.421 10 M HN 0.372 nan 8.290 nan 0.000 0.673 11 W N 1.495 122.564 121.300 -0.386 0.000 3.316 11 W HA 0.606 5.266 4.660 -0.000 0.000 0.327 11 W C 0.593 176.881 176.519 -0.386 0.000 1.232 11 W CA -0.244 56.847 57.345 -0.422 0.000 1.805 11 W CB -0.523 28.715 29.460 -0.371 0.000 1.090 11 W HN 0.281 nan 8.180 nan 0.000 0.654 12 L N 2.799 123.700 121.223 -0.537 0.000 2.783 12 L HA 0.409 4.748 4.340 -0.001 0.000 0.235 12 L C 0.163 176.495 176.870 -0.897 0.000 1.260 12 L CA -0.286 54.147 54.840 -0.678 0.000 1.184 12 L CB -0.284 41.413 42.059 -0.603 0.000 1.472 12 L HN -0.105 nan 8.230 nan 0.000 0.426 13 R N 0.658 120.798 120.500 -0.600 0.000 2.204 13 R HA 0.260 4.599 4.340 -0.001 0.000 0.341 13 R C -1.078 175.073 176.300 -0.248 0.000 1.035 13 R CA -0.498 55.367 56.100 -0.392 0.000 0.887 13 R CB 0.644 30.788 30.300 -0.260 0.000 1.114 13 R HN 0.153 nan 8.270 nan 0.000 0.473 14 Y N 2.155 122.432 120.300 -0.037 0.000 2.849 14 Y HA 0.204 4.754 4.550 -0.001 0.000 0.356 14 Y C 0.325 176.209 175.900 -0.027 0.000 1.236 14 Y CA -0.651 57.432 58.100 -0.029 0.000 1.508 14 Y CB 0.182 38.629 38.460 -0.021 0.000 1.619 14 Y HN 0.337 nan 8.280 nan 0.000 0.513 15 Q N 2.035 121.893 119.800 0.096 0.000 2.214 15 Q HA 0.390 4.729 4.340 -0.001 0.000 0.251 15 Q C -2.418 173.610 176.000 0.045 0.000 0.936 15 Q CA -2.309 53.523 55.803 0.048 0.000 0.894 15 Q CB 1.173 29.916 28.738 0.008 0.000 1.252 15 Q HN 0.180 nan 8.270 nan 0.000 0.448 16 P HA -0.053 nan 4.420 nan 0.000 0.264 16 P C -0.520 176.804 177.300 0.039 0.000 1.193 16 P CA 0.072 63.192 63.100 0.033 0.000 0.763 16 P CB 0.312 32.026 31.700 0.023 0.000 0.810 17 I N 2.523 123.129 120.570 0.060 0.000 2.821 17 I HA -0.120 4.049 4.170 -0.001 0.000 0.294 17 I C 1.670 177.822 176.117 0.059 0.000 1.210 17 I CA 0.613 61.964 61.300 0.086 0.000 1.430 17 I CB -0.372 37.735 38.000 0.178 0.000 1.356 17 I HN 0.479 nan 8.210 nan 0.000 0.563 18 A N 5.716 128.562 122.820 0.044 0.000 2.016 18 A HA -0.085 4.234 4.320 -0.001 0.000 0.217 18 A C 1.028 178.625 177.584 0.021 0.000 1.162 18 A CA 0.481 52.532 52.037 0.025 0.000 0.662 18 A CB -0.185 18.825 19.000 0.015 0.000 0.812 18 A HN 0.749 nan 8.150 nan 0.000 0.450 19 D N 0.176 120.592 120.400 0.026 0.000 2.352 19 D HA 0.118 4.757 4.640 -0.001 0.000 0.245 19 D C 0.684 176.984 176.300 -0.000 0.000 1.224 19 D CA -0.159 53.845 54.000 0.008 0.000 0.879 19 D CB 0.715 41.516 40.800 0.001 0.000 1.057 19 D HN 0.172 nan 8.370 nan 0.000 0.491 20 Q N 2.262 122.058 119.800 -0.007 0.000 2.167 20 Q HA -0.086 4.253 4.340 -0.001 0.000 0.202 20 Q C 1.697 177.679 176.000 -0.030 0.000 0.970 20 Q CA 1.160 56.955 55.803 -0.012 0.000 0.855 20 Q CB -0.303 28.427 28.738 -0.013 0.000 0.911 20 Q HN 0.540 nan 8.270 nan 0.000 0.438 21 T N 1.746 116.274 114.554 -0.043 0.000 2.737 21 T HA -0.051 4.298 4.350 -0.001 0.000 0.265 21 T C 2.080 176.717 174.700 -0.105 0.000 1.038 21 T CA 0.739 62.800 62.100 -0.065 0.000 1.144 21 T CB -0.199 68.633 68.868 -0.060 0.000 0.866 21 T HN 0.155 nan 8.240 nan 0.000 0.434 22 L N 0.424 121.575 121.223 -0.120 0.000 2.046 22 L HA -0.049 4.290 4.340 -0.001 0.000 0.208 22 L C 2.464 179.183 176.870 -0.251 0.000 1.077 22 L CA 0.720 55.416 54.840 -0.241 0.000 0.747 22 L CB -0.546 41.396 42.059 -0.195 0.000 0.896 22 L HN 0.225 nan 8.230 nan 0.000 0.432 23 L N 0.056 121.254 121.223 -0.043 0.000 2.013 23 L HA -0.241 4.098 4.340 -0.001 0.000 0.212 23 L C 2.579 179.461 176.870 0.021 0.000 1.073 23 L CA 1.892 56.778 54.840 0.076 0.000 0.753 23 L CB -0.616 41.481 42.059 0.064 0.000 0.890 23 L HN 0.080 nan 8.230 nan 0.000 0.432 24 K N -0.801 119.576 120.400 -0.039 0.000 2.057 24 K HA -0.096 4.223 4.320 -0.001 0.000 0.207 24 K C 2.041 178.593 176.600 -0.080 0.000 1.049 24 K CA 1.831 58.087 56.287 -0.053 0.000 0.931 24 K CB -1.093 31.370 32.500 -0.062 0.000 0.714 24 K HN 0.433 nan 8.250 nan 0.000 0.440 25 T N 1.027 115.499 114.554 -0.137 0.000 2.708 25 T HA -0.134 4.215 4.350 -0.001 0.000 0.266 25 T C 1.786 176.424 174.700 -0.103 0.000 1.037 25 T CA 1.294 63.295 62.100 -0.165 0.000 1.146 25 T CB -0.353 68.365 68.868 -0.250 0.000 0.865 25 T HN 0.107 nan 8.240 nan 0.000 0.435 26 Y N 1.881 122.160 120.300 -0.034 0.000 2.224 26 Y HA -0.100 4.449 4.550 -0.001 0.000 0.289 26 Y C 2.696 178.566 175.900 -0.051 0.000 1.146 26 Y CA 0.524 58.607 58.100 -0.028 0.000 1.182 26 Y CB -0.810 37.641 38.460 -0.016 0.000 0.983 26 Y HN 0.322 nan 8.280 nan 0.000 0.524 27 Q N -0.041 119.816 119.800 0.096 0.000 2.170 27 Q HA -0.185 4.154 4.340 -0.001 0.000 0.203 27 Q C 2.047 178.006 176.000 -0.069 0.000 0.976 27 Q CA 1.397 57.203 55.803 0.004 0.000 0.858 27 Q CB -0.131 28.597 28.738 -0.016 0.000 0.907 27 Q HN 0.475 nan 8.270 nan 0.000 0.433 28 K N 0.268 120.604 120.400 -0.108 0.000 2.155 28 K HA -0.123 4.196 4.320 -0.001 0.000 0.203 28 K C 2.028 178.458 176.600 -0.283 0.000 1.052 28 K CA 0.997 57.136 56.287 -0.246 0.000 0.948 28 K CB 0.107 32.447 32.500 -0.267 0.000 0.728 28 K HN 0.233 nan 8.250 nan 0.000 0.448 29 Q N -0.016 119.742 119.800 -0.069 0.000 2.137 29 Q HA 0.026 4.365 4.340 -0.001 0.000 0.198 29 Q C 0.163 176.257 176.000 0.158 0.000 0.960 29 Q CA 0.615 56.475 55.803 0.095 0.000 0.847 29 Q CB 0.472 29.293 28.738 0.139 0.000 0.915 29 Q HN 0.138 nan 8.270 nan 0.000 0.448 30 I N 0.917 121.533 120.570 0.078 0.000 2.502 30 I HA 0.231 4.401 4.170 -0.001 0.000 0.276 30 I C 0.351 176.451 176.117 -0.029 0.000 1.057 30 I CA 0.113 61.447 61.300 0.056 0.000 1.163 30 I CB 1.051 39.069 38.000 0.029 0.000 1.288 30 I HN 0.137 nan 8.210 nan 0.000 0.479 31 R N 2.901 123.357 120.500 -0.072 0.000 2.282 31 R HA 0.232 4.571 4.340 -0.001 0.000 0.195 31 R C -0.105 175.806 176.300 -0.648 0.000 0.909 31 R CA 0.316 56.208 56.100 -0.347 0.000 1.039 31 R CB 0.553 30.616 30.300 -0.395 0.000 1.015 31 R HN 0.543 nan 8.270 nan 0.000 0.513 32 H N -0.685 118.425 119.070 0.066 0.000 3.016 32 H HA 0.258 4.814 4.556 -0.001 0.000 0.362 32 H C -1.649 173.709 175.328 0.050 0.000 1.233 32 H CA -1.015 55.065 56.048 0.054 0.000 1.124 32 H CB 2.066 31.872 29.762 0.074 0.000 1.850 32 H HN -0.155 nan 8.280 nan 0.000 0.549 33 L N 2.429 123.750 121.223 0.163 0.000 2.372 33 L HA 0.259 4.598 4.340 -0.001 0.000 0.273 33 L C -0.927 175.995 176.870 0.086 0.000 0.989 33 L CA -0.294 54.600 54.840 0.090 0.000 0.841 33 L CB 0.758 42.828 42.059 0.018 0.000 1.225 33 L HN 0.608 nan 8.230 nan 0.000 0.414 34 H N 5.361 124.447 119.070 0.027 0.000 2.541 34 H HA 0.607 5.162 4.556 -0.001 0.000 0.316 34 H C -1.659 173.665 175.328 -0.006 0.000 1.043 34 H CA -0.356 55.698 56.048 0.009 0.000 1.232 34 H CB 1.458 31.225 29.762 0.008 0.000 1.406 34 H HN 0.444 nan 8.280 nan 0.000 0.469 35 V N 5.783 125.560 119.914 -0.228 0.000 2.419 35 V HA 0.243 4.362 4.120 -0.001 0.000 0.287 35 V C 0.960 176.963 176.094 -0.151 0.000 1.017 35 V CA -0.108 62.139 62.300 -0.088 0.000 0.844 35 V CB 0.850 32.628 31.823 -0.076 0.000 1.011 35 V HN 0.911 nan 8.190 nan 0.000 0.429 36 A N 3.582 126.388 122.820 -0.023 0.000 1.970 36 A HA 0.369 4.688 4.320 -0.001 0.000 0.216 36 A C 1.444 179.021 177.584 -0.011 0.000 1.170 36 A CA 1.088 53.124 52.037 -0.002 0.000 0.645 36 A CB -0.251 18.815 19.000 0.110 0.000 0.816 36 A HN 0.937 nan 8.150 nan 0.000 0.447 37 G N -0.313 108.484 108.800 -0.005 0.000 2.599 37 G HA2 0.402 4.361 3.960 -0.001 0.000 0.264 37 G HA3 0.402 4.361 3.960 -0.001 0.000 0.264 37 G C -0.170 174.716 174.900 -0.024 0.000 1.200 37 G CA 0.428 45.522 45.100 -0.009 0.000 0.896 37 G HN 0.377 nan 8.290 nan 0.000 0.536 38 D N -2.040 118.348 120.400 -0.020 0.000 2.672 38 D HA 0.061 4.700 4.640 -0.001 0.000 0.287 38 D C 0.809 177.097 176.300 -0.020 0.000 1.559 38 D CA -0.043 53.943 54.000 -0.023 0.000 0.796 38 D CB -0.515 40.273 40.800 -0.019 0.000 1.181 38 D HN 0.438 nan 8.370 nan 0.000 0.458 39 S N -0.266 115.421 115.700 -0.021 0.000 2.600 39 S HA 0.343 4.812 4.470 -0.001 0.000 0.265 39 S C -1.465 173.115 174.600 -0.033 0.000 1.325 39 S CA -0.670 57.518 58.200 -0.019 0.000 1.002 39 S CB 1.525 64.715 63.200 -0.016 0.000 0.921 39 S HN -0.213 nan 8.310 nan 0.000 0.554 40 P HA -0.083 nan 4.420 nan 0.000 0.216 40 P C 1.425 178.665 177.300 -0.100 0.000 1.153 40 P CA 1.539 64.612 63.100 -0.046 0.000 0.858 40 P CB -0.294 31.394 31.700 -0.020 0.000 0.789 41 T N -0.616 113.881 114.554 -0.095 0.000 2.777 41 T HA -0.066 4.283 4.350 -0.001 0.000 0.266 41 T C 1.710 176.329 174.700 -0.134 0.000 1.040 41 T CA 0.876 62.893 62.100 -0.139 0.000 1.141 41 T CB -0.624 68.186 68.868 -0.096 0.000 0.868 41 T HN -0.031 nan 8.240 nan 0.000 0.444 42 I N 2.211 122.728 120.570 -0.088 0.000 2.315 42 I HA -0.105 4.064 4.170 -0.001 0.000 0.248 42 I C 2.127 178.191 176.117 -0.088 0.000 1.117 42 I CA 1.115 62.368 61.300 -0.078 0.000 1.404 42 I CB -1.184 36.787 38.000 -0.049 0.000 1.071 42 I HN 0.218 nan 8.210 nan 0.000 0.419 43 N N 1.503 120.154 118.700 -0.082 0.000 2.149 43 N HA -0.142 4.597 4.740 -0.001 0.000 0.188 43 N C 1.918 177.372 175.510 -0.094 0.000 1.019 43 N CA 1.674 54.681 53.050 -0.073 0.000 0.857 43 N CB -0.275 38.181 38.487 -0.052 0.000 0.997 43 N HN 0.372 nan 8.380 nan 0.000 0.426 44 A N 0.686 123.408 122.820 -0.162 0.000 1.930 44 A HA 0.107 4.426 4.320 -0.001 0.000 0.217 44 A C 2.347 179.842 177.584 -0.148 0.000 1.175 44 A CA 1.727 53.630 52.037 -0.224 0.000 0.627 44 A CB -0.740 17.870 19.000 -0.650 0.000 0.815 44 A HN 0.308 nan 8.150 nan 0.000 0.443 45 A N -0.011 122.709 122.820 -0.166 0.000 1.877 45 A HA 0.177 4.496 4.320 -0.001 0.000 0.216 45 A C 2.512 180.000 177.584 -0.159 0.000 1.186 45 A CA 2.040 53.967 52.037 -0.182 0.000 0.620 45 A CB -1.043 17.864 19.000 -0.154 0.000 0.822 45 A HN 1.023 nan 8.150 nan 0.000 0.443 46 A N -0.097 122.655 122.820 -0.114 0.000 1.902 46 A HA 0.132 4.451 4.320 -0.001 0.000 0.217 46 A C 2.507 180.039 177.584 -0.086 0.000 1.181 46 A CA 2.209 54.190 52.037 -0.093 0.000 0.623 46 A CB -1.033 17.925 19.000 -0.071 0.000 0.818 46 A HN 1.076 nan 8.150 nan 0.000 0.443 47 A N -0.610 122.172 122.820 -0.063 0.000 1.933 47 A HA -0.121 4.198 4.320 -0.001 0.000 0.218 47 A C 1.972 179.529 177.584 -0.046 0.000 1.175 47 A CA 2.085 54.105 52.037 -0.028 0.000 0.628 47 A CB -0.430 18.584 19.000 0.023 0.000 0.814 47 A HN 0.529 nan 8.150 nan 0.000 0.444 48 E N 0.077 120.227 120.200 -0.083 0.000 2.072 48 E HA -0.080 4.269 4.350 -0.001 0.000 0.191 48 E C 1.839 178.286 176.600 -0.255 0.000 0.985 48 E CA 1.091 57.404 56.400 -0.144 0.000 0.801 48 E CB -0.337 29.179 29.700 -0.307 0.000 0.750 48 E HN 0.585 nan 8.360 nan 0.000 0.452 49 L N 0.258 121.335 121.223 -0.242 0.000 2.093 49 L HA -0.154 4.185 4.340 -0.001 0.000 0.208 49 L C 2.724 179.472 176.870 -0.204 0.000 1.085 49 L CA 1.402 56.099 54.840 -0.239 0.000 0.755 49 L CB -0.362 41.590 42.059 -0.178 0.000 0.904 49 L HN 0.270 nan 8.230 nan 0.000 0.435 50 Q N 0.731 120.443 119.800 -0.146 0.000 2.020 50 Q HA -0.235 4.104 4.340 -0.001 0.000 0.202 50 Q C 2.386 178.309 176.000 -0.128 0.000 0.982 50 Q CA 1.911 57.650 55.803 -0.107 0.000 0.838 50 Q CB -0.017 28.682 28.738 -0.064 0.000 0.899 50 Q HN 0.484 nan 8.270 nan 0.000 0.423 51 R N -0.906 119.514 120.500 -0.134 0.000 2.090 51 R HA -0.003 4.336 4.340 -0.001 0.000 0.228 51 R C 2.131 178.254 176.300 -0.295 0.000 1.110 51 R CA 1.387 57.417 56.100 -0.117 0.000 0.973 51 R CB -0.749 29.548 30.300 -0.004 0.000 0.869 51 R HN 0.278 nan 8.270 nan 0.000 0.440 52 G N 2.001 110.424 108.800 -0.628 0.000 2.404 52 G HA2 -0.131 3.828 3.960 -0.001 0.000 0.214 52 G HA3 -0.131 3.828 3.960 -0.001 0.000 0.214 52 G C 1.599 176.174 174.900 -0.541 0.000 1.189 52 G CA 0.523 44.906 45.100 -1.195 0.000 0.789 52 G HN 0.160 nan 8.290 nan 0.000 0.533 53 L N 0.875 121.889 121.223 -0.349 0.000 2.046 53 L HA -0.077 4.262 4.340 -0.001 0.000 0.208 53 L C 3.186 179.970 176.870 -0.143 0.000 1.077 53 L CA 1.158 55.873 54.840 -0.210 0.000 0.747 53 L CB -0.389 41.573 42.059 -0.160 0.000 0.896 53 L HN 0.162 nan 8.230 nan 0.000 0.432 54 S N 0.054 115.677 115.700 -0.128 0.000 2.368 54 S HA -0.122 4.348 4.470 -0.001 0.000 0.225 54 S C 2.013 176.584 174.600 -0.047 0.000 1.030 54 S CA 1.280 59.437 58.200 -0.072 0.000 0.999 54 S CB -0.557 62.610 63.200 -0.054 0.000 0.844 54 S HN 0.611 nan 8.310 nan 0.000 0.459 55 G N 1.507 110.279 108.800 -0.045 0.000 2.394 55 G HA2 -0.073 3.886 3.960 -0.001 0.000 0.214 55 G HA3 -0.073 3.886 3.960 -0.001 0.000 0.214 55 G C 1.341 176.253 174.900 0.021 0.000 1.176 55 G CA 0.455 45.567 45.100 0.021 0.000 0.786 55 G HN 0.423 nan 8.290 nan 0.000 0.533 56 L N -0.466 120.753 121.223 -0.007 0.000 2.093 56 L HA 0.039 4.378 4.340 -0.001 0.000 0.208 56 L C 2.344 179.209 176.870 -0.009 0.000 1.085 56 L CA 0.385 55.222 54.840 -0.005 0.000 0.755 56 L CB -0.201 41.823 42.059 -0.058 0.000 0.904 56 L HN 0.116 nan 8.230 nan 0.000 0.435 57 L N -0.734 120.471 121.223 -0.030 0.000 2.592 57 L HA 0.088 4.427 4.340 -0.001 0.000 0.227 57 L C 0.747 177.616 176.870 -0.002 0.000 1.127 57 L CA 0.283 55.120 54.840 -0.006 0.000 0.884 57 L CB -0.877 41.166 42.059 -0.026 0.000 1.065 57 L HN 0.290 nan 8.230 nan 0.000 0.457 58 N N 1.081 119.778 118.700 -0.005 0.000 2.740 58 N HA -0.254 4.485 4.740 -0.001 0.000 0.248 58 N C -0.398 175.106 175.510 -0.010 0.000 1.062 58 N CA 1.165 54.214 53.050 -0.002 0.000 0.704 58 N CB -0.630 37.861 38.487 0.005 0.000 0.968 58 N HN 0.632 nan 8.380 nan 0.000 0.547 59 K N -2.587 117.802 120.400 -0.019 0.000 2.575 59 K HA 0.558 4.878 4.320 -0.001 0.000 0.279 59 K C -3.370 173.213 176.600 -0.029 0.000 0.969 59 K CA -1.812 54.461 56.287 -0.023 0.000 0.868 59 K CB 1.586 34.068 32.500 -0.030 0.000 1.457 59 K HN -0.172 nan 8.250 nan 0.000 0.426 60 P HA 0.200 nan 4.420 nan 0.000 0.275 60 P C -0.632 176.652 177.300 -0.027 0.000 1.276 60 P CA -0.211 62.877 63.100 -0.020 0.000 0.782 60 P CB 0.167 31.862 31.700 -0.009 0.000 0.851 61 I N 4.988 125.537 120.570 -0.035 0.000 2.382 61 I HA 0.262 4.431 4.170 -0.001 0.000 0.285 61 I C -0.005 176.097 176.117 -0.025 0.000 1.007 61 I CA -0.838 60.441 61.300 -0.034 0.000 1.142 61 I CB 1.724 39.690 38.000 -0.056 0.000 1.289 61 I HN 0.022 nan 8.210 nan 0.000 0.453 62 V N 5.380 125.292 119.914 -0.003 0.000 2.459 62 V HA 0.569 4.689 4.120 -0.001 0.000 0.295 62 V C 0.655 176.745 176.094 -0.007 0.000 1.029 62 V CA -0.901 61.395 62.300 -0.007 0.000 0.874 62 V CB 1.847 33.671 31.823 0.003 0.000 0.985 62 V HN 0.836 nan 8.190 nan 0.000 0.438 63 A N 6.452 129.256 122.820 -0.027 0.000 2.492 63 A HA 0.596 4.915 4.320 -0.001 0.000 0.254 63 A C 0.300 177.850 177.584 -0.057 0.000 1.091 63 A CA 0.114 52.125 52.037 -0.043 0.000 0.768 63 A CB 0.036 19.003 19.000 -0.054 0.000 1.028 63 A HN 0.853 nan 8.150 nan 0.000 0.498 64 R N 1.128 121.574 120.500 -0.090 0.000 2.771 64 R HA 0.419 4.758 4.340 -0.001 0.000 0.274 64 R C -1.754 174.383 176.300 -0.272 0.000 0.987 64 R CA -0.856 55.169 56.100 -0.125 0.000 0.908 64 R CB 1.988 32.245 30.300 -0.073 0.000 1.213 64 R HN 0.733 nan 8.270 nan 0.000 0.468 65 D N 2.413 122.670 120.400 -0.238 0.000 2.464 65 D HA 0.170 4.809 4.640 -0.001 0.000 0.243 65 D C -0.930 175.268 176.300 -0.171 0.000 1.104 65 D CA -0.257 53.551 54.000 -0.319 0.000 0.883 65 D CB 0.572 41.267 40.800 -0.174 0.000 1.050 65 D HN 0.565 nan 8.370 nan 0.000 0.524 66 E N 1.206 121.319 120.200 -0.144 0.000 2.454 66 E HA 0.309 4.658 4.350 -0.001 0.000 0.279 66 E C -0.850 175.816 176.600 0.110 0.000 1.029 66 E CA -1.244 55.152 56.400 -0.005 0.000 0.831 66 E CB 0.993 30.676 29.700 -0.028 0.000 1.405 66 E HN 0.037 nan 8.360 nan 0.000 0.463 67 K N 1.203 121.639 120.400 0.060 0.000 2.511 67 K HA 0.022 4.341 4.320 -0.001 0.000 0.280 67 K C -0.163 176.465 176.600 0.048 0.000 1.008 67 K CA -0.407 55.911 56.287 0.051 0.000 1.050 67 K CB 0.288 32.793 32.500 0.009 0.000 0.889 67 K HN 0.500 nan 8.250 nan 0.000 0.484 68 L N 4.922 126.153 121.223 0.013 0.000 2.601 68 L HA -0.026 4.314 4.340 -0.001 0.000 0.277 68 L C -0.502 176.339 176.870 -0.049 0.000 1.219 68 L CA 1.188 56.003 54.840 -0.042 0.000 0.915 68 L CB 0.126 42.096 42.059 -0.148 0.000 1.160 68 L HN 0.553 nan 8.230 nan 0.000 0.494 69 K N 3.526 123.886 120.400 -0.068 0.000 2.118 69 K HA 0.244 4.563 4.320 -0.001 0.000 0.254 69 K C -0.649 175.963 176.600 0.020 0.000 0.961 69 K CA -1.030 55.197 56.287 -0.100 0.000 0.876 69 K CB 0.960 33.211 32.500 -0.416 0.000 1.077 69 K HN 0.570 nan 8.250 nan 0.000 0.440 70 D N 0.899 121.338 120.400 0.065 0.000 2.488 70 D HA -0.080 4.560 4.640 -0.001 0.000 0.238 70 D C -0.748 175.705 176.300 0.256 0.000 1.138 70 D CA 0.925 54.971 54.000 0.077 0.000 0.873 70 D CB 0.078 40.957 40.800 0.132 0.000 1.183 70 D HN 0.421 nan 8.370 nan 0.000 0.458 71 Y N 0.365 120.776 120.300 0.185 0.000 3.128 71 Y HA -0.240 4.309 4.550 -0.002 0.000 0.187 71 Y C -0.005 175.994 175.900 0.164 0.000 1.597 71 Y CA 0.361 58.546 58.100 0.141 0.000 1.183 71 Y CB -1.850 36.648 38.460 0.064 0.000 1.454 71 Y HN 0.112 nan 8.280 nan 0.000 0.460 72 S N 0.530 116.358 115.700 0.214 0.000 2.537 72 S HA 0.721 5.190 4.470 -0.001 0.000 0.301 72 S C -0.435 174.238 174.600 0.123 0.000 1.092 72 S CA -0.916 57.400 58.200 0.194 0.000 1.048 72 S CB 2.063 65.362 63.200 0.165 0.000 1.053 72 S HN 0.308 nan 8.310 nan 0.000 0.501 73 L N 3.649 124.937 121.223 0.107 0.000 2.265 73 L HA 0.541 4.880 4.340 -0.001 0.000 0.288 73 L C -1.151 175.768 176.870 0.081 0.000 1.058 73 L CA -0.008 54.872 54.840 0.066 0.000 0.809 73 L CB 0.612 42.689 42.059 0.031 0.000 1.179 73 L HN 0.419 nan 8.230 nan 0.000 0.429 74 V N 7.055 127.004 119.914 0.058 0.000 2.409 74 V HA 0.475 4.594 4.120 -0.001 0.000 0.291 74 V C -0.004 176.120 176.094 0.050 0.000 1.020 74 V CA -0.558 61.782 62.300 0.067 0.000 0.848 74 V CB 1.369 33.182 31.823 -0.016 0.000 0.990 74 V HN 0.732 nan 8.190 nan 0.000 0.430 75 I N 2.221 122.833 120.570 0.069 0.000 2.569 75 I HA 1.080 5.249 4.170 -0.001 0.000 0.296 75 I C 0.086 176.230 176.117 0.046 0.000 1.028 75 I CA -0.237 61.084 61.300 0.035 0.000 1.082 75 I CB 2.214 40.213 38.000 -0.000 0.000 1.264 75 I HN 0.783 nan 8.210 nan 0.000 0.429 76 G N 3.119 111.939 108.800 0.034 0.000 2.341 76 G HA2 0.372 4.331 3.960 -0.001 0.000 0.293 76 G HA3 0.372 4.331 3.960 -0.001 0.000 0.293 76 G C -0.942 173.980 174.900 0.036 0.000 1.298 76 G CA -0.174 44.945 45.100 0.033 0.000 0.868 76 G HN 0.977 nan 8.290 nan 0.000 0.540 77 T N -1.765 112.809 114.554 0.032 0.000 2.952 77 T HA 0.709 5.058 4.350 -0.001 0.000 0.286 77 T C -1.862 172.854 174.700 0.027 0.000 1.024 77 T CA -1.453 60.667 62.100 0.034 0.000 1.029 77 T CB 2.466 71.353 68.868 0.031 0.000 1.094 77 T HN 0.172 nan 8.240 nan 0.000 0.515 78 P HA -0.068 nan 4.420 nan 0.000 0.217 78 P C 0.923 178.233 177.300 0.016 0.000 1.148 78 P CA 0.985 64.095 63.100 0.018 0.000 0.828 78 P CB 0.032 31.741 31.700 0.016 0.000 0.783 79 D N -1.150 119.260 120.400 0.018 0.000 2.224 79 D HA -0.086 4.553 4.640 -0.001 0.000 0.205 79 D C 1.234 177.544 176.300 0.016 0.000 0.965 79 D CA 1.139 55.148 54.000 0.016 0.000 0.852 79 D CB -0.399 40.410 40.800 0.016 0.000 0.947 79 D HN 0.388 nan 8.370 nan 0.000 0.494 80 N N -1.259 117.453 118.700 0.019 0.000 2.184 80 N HA -0.009 4.730 4.740 -0.001 0.000 0.206 80 N C -0.391 175.137 175.510 0.030 0.000 1.151 80 N CA -0.201 52.861 53.050 0.020 0.000 0.878 80 N CB 0.761 39.257 38.487 0.014 0.000 1.014 80 N HN -0.180 nan 8.380 nan 0.000 0.512 81 S N 0.398 116.117 115.700 0.032 0.000 2.746 81 S HA 0.448 4.917 4.470 -0.001 0.000 0.273 81 S C -2.252 172.363 174.600 0.024 0.000 1.172 81 S CA -1.279 56.948 58.200 0.045 0.000 1.116 81 S CB 1.199 64.432 63.200 0.054 0.000 1.057 81 S HN -0.168 nan 8.310 nan 0.000 0.483 82 P HA -0.095 nan 4.420 nan 0.000 0.217 82 P C 1.417 178.706 177.300 -0.018 0.000 1.148 82 P CA 0.960 64.062 63.100 0.003 0.000 0.828 82 P CB 0.090 31.794 31.700 0.007 0.000 0.783 83 L N -1.417 119.782 121.223 -0.040 0.000 2.017 83 L HA -0.173 4.167 4.340 -0.001 0.000 0.208 83 L C 2.310 179.149 176.870 -0.052 0.000 1.073 83 L CA 1.285 56.077 54.840 -0.081 0.000 0.745 83 L CB -0.916 41.035 42.059 -0.179 0.000 0.894 83 L HN -0.038 nan 8.230 nan 0.000 0.432 84 I N 0.353 120.907 120.570 -0.028 0.000 2.202 84 I HA -0.230 3.939 4.170 -0.001 0.000 0.242 84 I C 2.895 179.008 176.117 -0.006 0.000 1.091 84 I CA 1.559 62.853 61.300 -0.010 0.000 1.368 84 I CB -1.513 36.493 38.000 0.009 0.000 1.058 84 I HN 0.177 nan 8.210 nan 0.000 0.410 85 A N 1.145 123.962 122.820 -0.004 0.000 1.948 85 A HA -0.242 4.077 4.320 -0.001 0.000 0.220 85 A C 2.504 180.082 177.584 -0.009 0.000 1.177 85 A CA 2.426 54.462 52.037 -0.002 0.000 0.636 85 A CB -0.868 18.132 19.000 0.000 0.000 0.815 85 A HN 0.578 nan 8.150 nan 0.000 0.449 86 S N -0.466 115.223 115.700 -0.017 0.000 2.474 86 S HA 0.025 4.494 4.470 -0.001 0.000 0.235 86 S C 1.628 176.214 174.600 -0.022 0.000 0.997 86 S CA 1.111 59.298 58.200 -0.022 0.000 0.949 86 S CB -0.562 62.619 63.200 -0.032 0.000 0.766 86 S HN 0.459 nan 8.310 nan 0.000 0.517 87 L N 1.000 122.211 121.223 -0.020 0.000 2.478 87 L HA 0.162 4.501 4.340 -0.001 0.000 0.223 87 L C 0.190 177.053 176.870 -0.011 0.000 1.140 87 L CA 0.163 54.992 54.840 -0.018 0.000 0.842 87 L CB -1.088 40.961 42.059 -0.015 0.000 0.953 87 L HN 0.346 nan 8.230 nan 0.000 0.452 88 N N -0.130 118.566 118.700 -0.008 0.000 2.667 88 N HA -0.221 4.518 4.740 -0.001 0.000 0.263 88 N C 0.803 176.312 175.510 -0.001 0.000 1.038 88 N CA -0.144 52.903 53.050 -0.004 0.000 0.749 88 N CB -0.898 37.585 38.487 -0.007 0.000 0.892 88 N HN 0.280 nan 8.380 nan 0.000 0.546 89 L N -0.185 121.040 121.223 0.003 0.000 2.141 89 L HA -0.038 4.301 4.340 -0.001 0.000 0.209 89 L C 2.164 179.037 176.870 0.006 0.000 1.094 89 L CA 1.123 55.967 54.840 0.006 0.000 0.763 89 L CB -0.761 41.305 42.059 0.013 0.000 0.908 89 L HN 0.718 nan 8.230 nan 0.000 0.437 90 G N 0.416 109.220 108.800 0.005 0.000 2.629 90 G HA2 -0.431 3.528 3.960 -0.001 0.000 0.313 90 G HA3 -0.431 3.528 3.960 -0.001 0.000 0.313 90 G C 0.814 175.716 174.900 0.004 0.000 1.217 90 G CA 0.663 45.765 45.100 0.004 0.000 0.994 90 G HN 0.352 nan 8.290 nan 0.000 0.549 91 E N 0.675 120.876 120.200 0.001 0.000 2.171 91 E HA -0.191 4.158 4.350 -0.001 0.000 0.197 91 E C 2.796 179.396 176.600 0.000 0.000 0.997 91 E CA 1.361 57.761 56.400 -0.000 0.000 0.810 91 E CB -0.140 29.558 29.700 -0.002 0.000 0.738 91 E HN 0.537 nan 8.360 nan 0.000 0.467 92 R N 0.167 120.669 120.500 0.003 0.000 2.096 92 R HA -0.092 4.247 4.340 -0.001 0.000 0.235 92 R C 2.435 178.740 176.300 0.008 0.000 1.127 92 R CA 0.899 57.002 56.100 0.004 0.000 0.968 92 R CB -0.232 30.072 30.300 0.008 0.000 0.861 92 R HN 0.208 nan 8.270 nan 0.000 0.440 93 L N 0.629 121.860 121.223 0.013 0.000 2.179 93 L HA -0.113 4.226 4.340 -0.001 0.000 0.208 93 L C 2.403 179.280 176.870 0.013 0.000 1.096 93 L CA 0.982 55.834 54.840 0.019 0.000 0.779 93 L CB -0.317 41.757 42.059 0.025 0.000 0.922 93 L HN 0.256 nan 8.230 nan 0.000 0.443 94 Q N 0.056 119.860 119.800 0.006 0.000 2.112 94 Q HA -0.229 4.110 4.340 -0.001 0.000 0.206 94 Q C 2.330 178.326 176.000 -0.006 0.000 0.987 94 Q CA 1.756 57.560 55.803 0.001 0.000 0.858 94 Q CB -0.274 28.463 28.738 -0.002 0.000 0.905 94 Q HN 0.550 nan 8.270 nan 0.000 0.420 95 A N 0.533 123.346 122.820 -0.011 0.000 2.125 95 A HA -0.100 4.219 4.320 -0.001 0.000 0.219 95 A C 1.876 179.442 177.584 -0.030 0.000 1.156 95 A CA 0.858 52.882 52.037 -0.023 0.000 0.671 95 A CB -0.389 18.597 19.000 -0.024 0.000 0.794 95 A HN 0.286 nan 8.150 nan 0.000 0.459 96 L N -1.600 119.613 121.223 -0.016 0.000 2.341 96 L HA 0.206 4.545 4.340 -0.001 0.000 0.214 96 L C 1.776 178.641 176.870 -0.008 0.000 1.115 96 L CA 0.307 55.138 54.840 -0.015 0.000 0.820 96 L CB -1.054 41.015 42.059 0.017 0.000 0.944 96 L HN 0.574 nan 8.230 nan 0.000 0.452 97 G N 0.662 109.460 108.800 -0.004 0.000 2.574 97 G HA2 -0.394 3.565 3.960 -0.001 0.000 0.282 97 G HA3 -0.394 3.565 3.960 -0.001 0.000 0.282 97 G C 0.791 175.707 174.900 0.026 0.000 1.257 97 G CA 0.286 45.385 45.100 -0.002 0.000 0.956 97 G HN 0.327 nan 8.290 nan 0.000 0.560 98 A N -1.104 121.731 122.820 0.025 0.000 2.123 98 A HA 0.396 4.715 4.320 -0.001 0.000 0.214 98 A C 1.846 179.493 177.584 0.105 0.000 1.152 98 A CA 2.081 54.150 52.037 0.053 0.000 0.728 98 A CB -0.094 18.930 19.000 0.041 0.000 0.814 98 A HN 0.691 nan 8.150 nan 0.000 0.464 99 E N -1.119 119.158 120.200 0.129 0.000 2.606 99 E HA 0.178 4.528 4.350 -0.001 0.000 0.224 99 E C 0.912 177.761 176.600 0.415 0.000 0.930 99 E CA 0.024 56.598 56.400 0.291 0.000 1.125 99 E CB 0.751 30.622 29.700 0.285 0.000 1.123 99 E HN 0.456 nan 8.360 nan 0.000 0.522 100 G N 0.813 109.748 108.800 0.225 0.000 2.580 100 G HA2 0.397 4.356 3.960 -0.001 0.000 0.278 100 G HA3 0.397 4.356 3.960 -0.001 0.000 0.278 100 G C -0.704 174.351 174.900 0.259 0.000 1.212 100 G CA -0.166 45.046 45.100 0.187 0.000 0.939 100 G HN 0.134 nan 8.290 nan 0.000 0.513 101 Y N -2.396 118.048 120.300 0.241 0.000 2.638 101 Y HA 0.697 5.246 4.550 -0.001 0.000 0.335 101 Y C -1.488 174.492 175.900 0.132 0.000 1.155 101 Y CA -1.843 56.362 58.100 0.175 0.000 1.046 101 Y CB 1.593 40.170 38.460 0.194 0.000 1.303 101 Y HN 0.625 nan 8.280 nan 0.000 0.460 102 L N 2.789 124.180 121.223 0.281 0.000 2.362 102 L HA 0.746 5.085 4.340 -0.001 0.000 0.275 102 L C -1.898 175.099 176.870 0.210 0.000 0.998 102 L CA -0.878 54.071 54.840 0.182 0.000 0.820 102 L CB 1.724 43.839 42.059 0.094 0.000 1.270 102 L HN 0.756 nan 8.230 nan 0.000 0.415 103 L N 4.678 126.000 121.223 0.166 0.000 2.313 103 L HA 0.694 5.033 4.340 -0.001 0.000 0.283 103 L C -0.607 176.290 176.870 0.045 0.000 1.013 103 L CA -0.453 54.435 54.840 0.080 0.000 0.816 103 L CB 1.766 43.830 42.059 0.009 0.000 1.236 103 L HN 0.692 nan 8.230 nan 0.000 0.419 104 E N 2.654 122.876 120.200 0.036 0.000 2.347 104 E HA 0.144 4.493 4.350 -0.001 0.000 0.285 104 E C -1.527 175.092 176.600 0.031 0.000 0.925 104 E CA -0.633 55.786 56.400 0.031 0.000 0.779 104 E CB 2.196 31.913 29.700 0.030 0.000 1.233 104 E HN 0.562 nan 8.360 nan 0.000 0.414 105 Q N 3.027 122.850 119.800 0.038 0.000 2.295 105 Q HA 0.315 4.654 4.340 -0.001 0.000 0.259 105 Q C -0.843 175.176 176.000 0.031 0.000 0.976 105 Q CA 0.493 56.325 55.803 0.047 0.000 0.923 105 Q CB 1.307 30.086 28.738 0.068 0.000 1.185 105 Q HN 0.620 nan 8.270 nan 0.000 0.410 106 T N 2.545 117.109 114.554 0.016 0.000 2.606 106 T HA 0.578 4.927 4.350 -0.001 0.000 0.289 106 T C -1.669 173.000 174.700 -0.053 0.000 1.113 106 T CA -0.694 61.398 62.100 -0.013 0.000 1.106 106 T CB 1.062 69.922 68.868 -0.013 0.000 1.611 106 T HN 0.531 nan 8.240 nan 0.000 0.471 107 R N 0.866 121.317 120.500 -0.081 0.000 2.673 107 R HA 0.654 4.993 4.340 -0.001 0.000 0.281 107 R C -1.216 175.021 176.300 -0.105 0.000 0.991 107 R CA -0.583 55.437 56.100 -0.133 0.000 0.896 107 R CB 1.186 31.383 30.300 -0.171 0.000 1.201 107 R HN 0.616 nan 8.270 nan 0.000 0.457 108 I N 2.671 123.172 120.570 -0.116 0.000 2.447 108 I HA 0.185 4.354 4.170 -0.001 0.000 0.287 108 I C -0.175 175.879 176.117 -0.104 0.000 1.023 108 I CA -0.801 60.440 61.300 -0.099 0.000 1.083 108 I CB 1.592 39.532 38.000 -0.101 0.000 1.245 108 I HN 0.525 nan 8.210 nan 0.000 0.434 109 N N 6.803 125.450 118.700 -0.087 0.000 2.698 109 N HA -0.241 4.499 4.740 -0.001 0.000 0.258 109 N C 0.385 175.838 175.510 -0.095 0.000 0.978 109 N CA 1.049 54.052 53.050 -0.079 0.000 0.777 109 N CB -0.777 37.671 38.487 -0.065 0.000 0.907 109 N HN 0.807 nan 8.380 nan 0.000 0.543 110 K N -3.549 116.778 120.400 -0.122 0.000 3.572 110 K HA -0.285 4.034 4.320 -0.001 0.000 0.306 110 K C 0.113 176.577 176.600 -0.227 0.000 1.286 110 K CA 1.540 57.729 56.287 -0.163 0.000 1.010 110 K CB -0.652 31.782 32.500 -0.109 0.000 1.268 110 K HN 0.319 nan 8.250 nan 0.000 0.438 111 R N 1.538 121.928 120.500 -0.182 0.000 2.438 111 R HA 0.196 4.535 4.340 -0.001 0.000 0.287 111 R C -0.292 175.842 176.300 -0.277 0.000 1.077 111 R CA -0.030 55.957 56.100 -0.190 0.000 1.034 111 R CB 0.198 30.429 30.300 -0.114 0.000 0.993 111 R HN 0.154 nan 8.270 nan 0.000 0.459 112 H N 0.762 119.621 119.070 -0.351 0.000 2.848 112 H HA 0.314 4.870 4.556 -0.001 0.000 0.317 112 H C 0.058 175.237 175.328 -0.249 0.000 1.046 112 H CA -0.015 55.796 56.048 -0.395 0.000 1.470 112 H CB 0.527 29.761 29.762 -0.880 0.000 1.483 112 H HN 0.378 nan 8.280 nan 0.000 0.548 113 V N 0.940 120.841 119.914 -0.022 0.000 3.114 113 V HA 0.669 4.788 4.120 -0.001 0.000 0.308 113 V C -0.850 175.268 176.094 0.040 0.000 1.168 113 V CA -0.980 61.327 62.300 0.011 0.000 1.015 113 V CB 2.171 33.979 31.823 -0.025 0.000 1.050 113 V HN 0.445 nan 8.190 nan 0.000 0.433 114 V N 4.040 123.985 119.914 0.052 0.000 2.495 114 V HA 0.578 4.697 4.120 -0.001 0.000 0.298 114 V C 0.012 176.123 176.094 0.027 0.000 1.031 114 V CA -0.393 61.933 62.300 0.044 0.000 0.871 114 V CB 1.479 33.335 31.823 0.055 0.000 0.988 114 V HN 0.985 nan 8.190 nan 0.000 0.432 115 I N 2.579 123.162 120.570 0.022 0.000 2.498 115 I HA 0.780 4.949 4.170 -0.001 0.000 0.301 115 I C -0.725 175.408 176.117 0.026 0.000 0.984 115 I CA -0.760 60.552 61.300 0.020 0.000 1.204 115 I CB 1.977 39.987 38.000 0.017 0.000 1.362 115 I HN 0.252 nan 8.210 nan 0.000 0.471 116 V N 5.322 125.251 119.914 0.024 0.000 2.304 116 V HA 0.724 4.844 4.120 -0.001 0.000 0.278 116 V C 0.360 176.489 176.094 0.058 0.000 1.018 116 V CA -0.260 62.059 62.300 0.032 0.000 0.814 116 V CB 0.696 32.509 31.823 -0.017 0.000 1.021 116 V HN 0.948 nan 8.190 nan 0.000 0.440 117 A N 4.088 126.967 122.820 0.099 0.000 2.374 117 A HA 1.055 5.374 4.320 -0.001 0.000 0.317 117 A C -0.191 177.475 177.584 0.138 0.000 1.094 117 A CA -0.035 52.057 52.037 0.092 0.000 0.765 117 A CB 1.942 20.984 19.000 0.069 0.000 1.268 117 A HN 1.403 nan 8.150 nan 0.000 0.438 118 A N 0.780 123.667 122.820 0.112 0.000 2.581 118 A HA 0.637 4.956 4.320 -0.001 0.000 0.290 118 A C 0.071 177.706 177.584 0.085 0.000 1.119 118 A CA -0.577 51.538 52.037 0.130 0.000 0.670 118 A CB 0.428 19.531 19.000 0.171 0.000 1.280 118 A HN 0.630 nan 8.150 nan 0.000 0.425 119 N N 0.218 118.966 118.700 0.080 0.000 2.300 119 N HA -0.003 4.736 4.740 -0.001 0.000 0.179 119 N C 0.787 176.328 175.510 0.052 0.000 1.016 119 N CA 1.549 54.632 53.050 0.056 0.000 0.876 119 N CB 0.017 38.532 38.487 0.048 0.000 0.979 119 N HN 0.804 nan 8.380 nan 0.000 0.432 120 S N -0.384 115.354 115.700 0.063 0.000 2.638 120 S HA 0.381 4.850 4.470 -0.001 0.000 0.302 120 S C 0.269 174.887 174.600 0.030 0.000 1.096 120 S CA -0.785 57.442 58.200 0.046 0.000 0.953 120 S CB 2.286 65.518 63.200 0.054 0.000 1.107 120 S HN -0.192 nan 8.310 nan 0.000 0.503 121 D N 0.911 121.314 120.400 0.006 0.000 2.144 121 D HA -0.082 4.557 4.640 -0.001 0.000 0.200 121 D C 1.919 178.178 176.300 -0.068 0.000 0.978 121 D CA 0.875 54.862 54.000 -0.023 0.000 0.833 121 D CB -0.398 40.385 40.800 -0.028 0.000 0.961 121 D HN 0.338 nan 8.370 nan 0.000 0.470 122 V N 0.776 120.635 119.914 -0.091 0.000 2.515 122 V HA -0.094 4.025 4.120 -0.001 0.000 0.250 122 V C 2.171 178.058 176.094 -0.344 0.000 1.058 122 V CA 2.185 64.325 62.300 -0.267 0.000 1.064 122 V CB -0.555 31.127 31.823 -0.235 0.000 0.675 122 V HN 0.251 nan 8.190 nan 0.000 0.461 123 G N -0.607 108.182 108.800 -0.018 0.000 2.422 123 G HA2 -0.206 3.753 3.960 -0.001 0.000 0.218 123 G HA3 -0.206 3.753 3.960 -0.001 0.000 0.218 123 G C 1.652 176.655 174.900 0.172 0.000 1.146 123 G CA 1.235 46.466 45.100 0.217 0.000 0.769 123 G HN 0.437 nan 8.290 nan 0.000 0.547 124 V N 0.651 120.598 119.914 0.054 0.000 2.343 124 V HA -0.142 3.977 4.120 -0.001 0.000 0.247 124 V C 2.675 178.737 176.094 -0.053 0.000 1.051 124 V CA 1.634 63.941 62.300 0.011 0.000 1.036 124 V CB -0.444 31.374 31.823 -0.008 0.000 0.654 124 V HN 0.363 nan 8.190 nan 0.000 0.451 125 L N -0.551 120.615 121.223 -0.096 0.000 1.994 125 L HA -0.171 4.168 4.340 -0.001 0.000 0.208 125 L C 2.393 179.321 176.870 0.095 0.000 1.071 125 L CA 2.181 56.976 54.840 -0.075 0.000 0.745 125 L CB -0.840 41.151 42.059 -0.114 0.000 0.892 125 L HN 0.340 nan 8.230 nan 0.000 0.431 126 Y N 0.097 120.485 120.300 0.147 0.000 2.181 126 Y HA -0.052 4.497 4.550 -0.002 0.000 0.288 126 Y C 2.587 178.275 175.900 -0.353 0.000 1.146 126 Y CA 0.886 59.023 58.100 0.062 0.000 1.164 126 Y CB -1.642 36.941 38.460 0.204 0.000 0.982 126 Y HN 0.253 nan 8.280 nan 0.000 0.515 127 G N -1.160 107.352 108.800 -0.481 0.000 2.408 127 G HA2 -0.201 3.758 3.960 -0.001 0.000 0.217 127 G HA3 -0.201 3.758 3.960 -0.001 0.000 0.217 127 G C 1.901 176.555 174.900 -0.408 0.000 1.150 127 G CA 1.139 45.605 45.100 -1.056 0.000 0.776 127 G HN 0.392 nan 8.290 nan 0.000 0.542 128 S N 0.651 116.221 115.700 -0.217 0.000 2.368 128 S HA -0.054 4.416 4.470 -0.001 0.000 0.225 128 S C 1.966 176.473 174.600 -0.155 0.000 1.030 128 S CA 0.932 59.015 58.200 -0.195 0.000 0.999 128 S CB -0.378 62.676 63.200 -0.244 0.000 0.844 128 S HN 0.317 nan 8.310 nan 0.000 0.459 129 F N 1.014 120.932 119.950 -0.054 0.000 2.171 129 F HA -0.070 4.456 4.527 -0.002 0.000 0.300 129 F C 2.311 178.110 175.800 -0.002 0.000 1.090 129 F CA 1.361 59.363 58.000 0.004 0.000 1.293 129 F CB -0.729 38.293 39.000 0.037 0.000 1.013 129 F HN 0.378 nan 8.300 nan 0.000 0.486 130 H N -0.494 118.541 119.070 -0.059 0.000 2.353 130 H HA -0.156 4.399 4.556 -0.001 0.000 0.300 130 H C 2.434 177.725 175.328 -0.062 0.000 1.090 130 H CA 0.919 56.902 56.048 -0.107 0.000 1.327 130 H CB -0.075 29.562 29.762 -0.207 0.000 1.383 130 H HN 0.147 nan 8.280 nan 0.000 0.508 131 L N 1.109 122.313 121.223 -0.031 0.000 2.012 131 L HA -0.190 4.149 4.340 -0.001 0.000 0.210 131 L C 2.175 179.026 176.870 -0.032 0.000 1.073 131 L CA 1.477 56.269 54.840 -0.080 0.000 0.748 131 L CB -0.897 41.099 42.059 -0.105 0.000 0.891 131 L HN 0.441 nan 8.230 nan 0.000 0.431 132 L N -0.299 120.922 121.223 -0.004 0.000 2.046 132 L HA -0.242 4.097 4.340 -0.001 0.000 0.208 132 L C 2.842 179.771 176.870 0.099 0.000 1.077 132 L CA 1.503 56.354 54.840 0.019 0.000 0.747 132 L CB -0.573 41.523 42.059 0.062 0.000 0.896 132 L HN 0.316 nan 8.230 nan 0.000 0.432 133 R N 0.516 121.115 120.500 0.166 0.000 2.105 133 R HA -0.179 4.160 4.340 -0.001 0.000 0.239 133 R C 2.294 178.686 176.300 0.155 0.000 1.135 133 R CA 1.332 57.537 56.100 0.175 0.000 0.967 133 R CB -0.209 30.194 30.300 0.171 0.000 0.861 133 R HN 0.324 nan 8.270 nan 0.000 0.442 134 L N 0.237 121.542 121.223 0.136 0.000 2.046 134 L HA -0.189 4.151 4.340 -0.001 0.000 0.208 134 L C 2.375 179.332 176.870 0.145 0.000 1.077 134 L CA 1.293 56.210 54.840 0.128 0.000 0.747 134 L CB -0.308 41.783 42.059 0.053 0.000 0.896 134 L HN 0.261 nan 8.230 nan 0.000 0.432 135 I N -0.836 119.719 120.570 -0.026 0.000 2.286 135 I HA -0.274 3.895 4.170 -0.001 0.000 0.245 135 I C 2.582 178.669 176.117 -0.051 0.000 1.104 135 I CA 1.094 62.241 61.300 -0.255 0.000 1.397 135 I CB -0.330 37.343 38.000 -0.544 0.000 1.072 135 I HN 0.289 nan 8.210 nan 0.000 0.417 136 Q N 0.219 120.038 119.800 0.031 0.000 2.152 136 Q HA -0.216 4.124 4.340 -0.001 0.000 0.206 136 Q C 1.819 177.876 176.000 0.095 0.000 0.985 136 Q CA 2.165 58.013 55.803 0.075 0.000 0.863 136 Q CB -0.252 28.549 28.738 0.106 0.000 0.904 136 Q HN 0.625 nan 8.270 nan 0.000 0.422 137 T N -3.198 111.451 114.554 0.158 0.000 3.163 137 T HA 0.134 4.483 4.350 -0.001 0.000 0.252 137 T C 0.037 174.849 174.700 0.187 0.000 1.056 137 T CA -0.278 61.943 62.100 0.201 0.000 0.947 137 T CB 0.321 69.379 68.868 0.317 0.000 1.016 137 T HN 0.215 nan 8.240 nan 0.000 0.554 138 Q N 0.562 120.484 119.800 0.204 0.000 2.453 138 Q HA -0.188 4.152 4.340 -0.001 0.000 0.294 138 Q C -0.943 175.122 176.000 0.108 0.000 1.295 138 Q CA 0.439 56.367 55.803 0.209 0.000 0.853 138 Q CB -2.014 26.778 28.738 0.090 0.000 1.193 138 Q HN 0.779 nan 8.270 nan 0.000 0.461 139 H N -0.677 118.519 119.070 0.210 0.000 2.511 139 H HA 0.575 5.130 4.556 -0.002 0.000 0.346 139 H C 0.352 175.800 175.328 0.200 0.000 1.128 139 H CA 0.344 56.489 56.048 0.162 0.000 1.342 139 H CB 1.072 30.914 29.762 0.134 0.000 1.470 139 H HN 0.394 nan 8.280 nan 0.000 0.546 140 A N 3.071 126.021 122.820 0.217 0.000 2.388 140 A HA 0.172 4.491 4.320 -0.001 0.000 0.257 140 A C 0.771 178.462 177.584 0.178 0.000 1.095 140 A CA -0.374 51.746 52.037 0.138 0.000 0.791 140 A CB 0.156 19.191 19.000 0.058 0.000 1.029 140 A HN 0.858 nan 8.150 nan 0.000 0.489 141 L N 0.243 121.573 121.223 0.178 0.000 2.477 141 L HA 0.107 4.446 4.340 -0.001 0.000 0.220 141 L C 0.699 177.630 176.870 0.102 0.000 1.106 141 L CA 0.103 55.035 54.840 0.153 0.000 0.851 141 L CB -0.210 41.964 42.059 0.191 0.000 0.994 141 L HN 0.689 nan 8.230 nan 0.000 0.462 142 E N 1.527 121.775 120.200 0.080 0.000 2.415 142 E HA -0.015 4.334 4.350 -0.001 0.000 0.263 142 E C 0.245 176.882 176.600 0.062 0.000 0.995 142 E CA 0.420 56.860 56.400 0.067 0.000 0.915 142 E CB 0.263 29.989 29.700 0.044 0.000 0.951 142 E HN 0.023 nan 8.360 nan 0.000 0.449 143 K N 1.361 121.798 120.400 0.062 0.000 3.341 143 K HA -0.243 4.076 4.320 -0.001 0.000 0.305 143 K C -0.100 176.529 176.600 0.049 0.000 1.270 143 K CA 0.290 56.608 56.287 0.051 0.000 0.897 143 K CB -1.469 31.057 32.500 0.044 0.000 1.264 143 K HN 0.446 nan 8.250 nan 0.000 0.468 144 L N 1.192 122.447 121.223 0.054 0.000 2.559 144 L HA 0.114 4.453 4.340 -0.001 0.000 0.274 144 L C -0.030 176.861 176.870 0.035 0.000 1.205 144 L CA 1.253 56.119 54.840 0.044 0.000 0.907 144 L CB 1.136 43.220 42.059 0.042 0.000 1.153 144 L HN 0.143 nan 8.230 nan 0.000 0.490 145 S N 5.765 121.483 115.700 0.030 0.000 2.536 145 S HA 0.651 5.120 4.470 -0.001 0.000 0.246 145 S C -1.355 173.262 174.600 0.028 0.000 1.077 145 S CA -0.691 57.526 58.200 0.028 0.000 1.091 145 S CB 0.008 63.224 63.200 0.026 0.000 1.148 145 S HN 0.744 nan 8.310 nan 0.000 0.447 146 L N 2.076 123.318 121.223 0.031 0.000 2.466 146 L HA 1.032 5.371 4.340 -0.001 0.000 0.258 146 L C -0.565 176.332 176.870 0.046 0.000 0.973 146 L CA -0.565 54.298 54.840 0.038 0.000 0.826 146 L CB 1.695 43.779 42.059 0.042 0.000 1.372 146 L HN 0.431 nan 8.230 nan 0.000 0.409 147 S N 0.510 116.221 115.700 0.019 0.000 2.599 147 S HA 0.949 5.418 4.470 -0.001 0.000 0.287 147 S C -0.628 173.915 174.600 -0.094 0.000 1.105 147 S CA -0.351 57.822 58.200 -0.044 0.000 0.899 147 S CB 1.757 64.935 63.200 -0.036 0.000 1.100 147 S HN 1.214 nan 8.310 nan 0.000 0.482 148 S N -0.162 115.363 115.700 -0.292 0.000 2.537 148 S HA 0.802 5.272 4.470 -0.001 0.000 0.270 148 S C -1.416 173.083 174.600 -0.168 0.000 1.142 148 S CA -0.189 57.912 58.200 -0.165 0.000 0.870 148 S CB 1.289 64.490 63.200 0.002 0.000 1.112 148 S HN 1.763 nan 8.310 nan 0.000 0.466 149 A N 3.923 126.695 122.820 -0.080 0.000 2.515 149 A HA 0.918 5.237 4.320 -0.001 0.000 0.298 149 A C -3.073 174.091 177.584 -0.699 0.000 1.059 149 A CA -1.659 50.230 52.037 -0.246 0.000 0.698 149 A CB 1.456 20.338 19.000 -0.196 0.000 1.289 149 A HN 0.558 nan 8.150 nan 0.000 0.404 150 P HA 0.264 nan 4.420 nan 0.000 0.275 150 P C -0.110 176.777 177.300 -0.688 0.000 1.227 150 P CA -0.142 62.040 63.100 -1.530 0.000 0.781 150 P CB 0.890 31.728 31.700 -1.438 0.000 0.906 151 R N 1.176 121.364 120.500 -0.520 0.000 2.280 151 R HA 0.262 4.601 4.340 -0.001 0.000 0.195 151 R C 0.460 176.665 176.300 -0.159 0.000 0.935 151 R CA 0.275 56.221 56.100 -0.257 0.000 1.033 151 R CB -0.048 30.151 30.300 -0.170 0.000 0.964 151 R HN 0.442 nan 8.270 nan 0.000 0.489 152 L N -0.235 120.866 121.223 -0.203 0.000 2.370 152 L HA 0.276 4.615 4.340 -0.001 0.000 0.266 152 L C 0.965 177.740 176.870 -0.157 0.000 1.002 152 L CA -0.572 54.187 54.840 -0.135 0.000 0.818 152 L CB 2.287 44.283 42.059 -0.106 0.000 1.325 152 L HN -0.113 nan 8.230 nan 0.000 0.418 153 Q N 0.736 120.471 119.800 -0.109 0.000 2.062 153 Q HA 0.019 4.358 4.340 -0.001 0.000 0.196 153 Q C -0.067 175.793 176.000 -0.233 0.000 0.967 153 Q CA 0.896 56.585 55.803 -0.190 0.000 0.832 153 Q CB 0.449 29.054 28.738 -0.221 0.000 0.899 153 Q HN 0.525 nan 8.270 nan 0.000 0.442 154 H N 0.828 119.940 119.070 0.071 0.000 2.623 154 H HA 0.354 4.910 4.556 -0.002 0.000 0.299 154 H C -0.733 174.586 175.328 -0.015 0.000 1.052 154 H CA -0.242 55.865 56.048 0.098 0.000 1.231 154 H CB 0.675 30.532 29.762 0.158 0.000 1.389 154 H HN 0.119 nan 8.280 nan 0.000 0.469 155 R N 2.540 123.095 120.500 0.092 0.000 2.335 155 R HA 0.359 4.698 4.340 -0.001 0.000 0.302 155 R C -0.588 175.767 176.300 0.092 0.000 1.147 155 R CA -0.553 55.560 56.100 0.021 0.000 1.111 155 R CB 1.905 32.183 30.300 -0.038 0.000 1.122 155 R HN 0.247 nan 8.270 nan 0.000 0.557 156 V N 3.060 123.032 119.914 0.097 0.000 2.769 156 V HA 0.655 4.774 4.120 -0.001 0.000 0.312 156 V C -0.326 175.831 176.094 0.105 0.000 1.061 156 V CA -0.756 61.587 62.300 0.071 0.000 0.931 156 V CB 2.272 34.020 31.823 -0.125 0.000 1.010 156 V HN 0.414 nan 8.190 nan 0.000 0.433 157 V N 3.458 123.406 119.914 0.057 0.000 2.732 157 V HA 0.678 4.797 4.120 -0.001 0.000 0.310 157 V C -0.347 175.691 176.094 -0.094 0.000 1.053 157 V CA -0.687 61.540 62.300 -0.122 0.000 0.957 157 V CB 1.459 33.183 31.823 -0.165 0.000 1.018 157 V HN 0.971 nan 8.190 nan 0.000 0.452 158 N N 1.295 119.830 118.700 -0.275 0.000 2.284 158 N HA 0.518 5.257 4.740 -0.001 0.000 0.300 158 N C -1.449 173.869 175.510 -0.320 0.000 1.047 158 N CA -0.754 52.214 53.050 -0.137 0.000 0.821 158 N CB 1.466 39.889 38.487 -0.108 0.000 1.337 158 N HN 0.788 nan 8.380 nan 0.000 0.482 159 H N 1.237 120.326 119.070 0.032 0.000 2.646 159 H HA 0.122 4.677 4.556 -0.002 0.000 0.328 159 H C -0.590 174.877 175.328 0.231 0.000 0.998 159 H CA -0.528 55.554 56.048 0.057 0.000 1.225 159 H CB 1.193 31.110 29.762 0.259 0.000 1.457 159 H HN 0.541 nan 8.280 nan 0.000 0.505 160 W N 3.280 124.591 121.300 0.018 0.000 1.694 160 W HA 0.128 4.786 4.660 -0.002 0.000 0.425 160 W C -0.484 176.000 176.519 -0.058 0.000 0.615 160 W CA -0.840 56.470 57.345 -0.058 0.000 2.237 160 W CB -1.043 28.305 29.460 -0.186 0.000 1.478 160 W HN 0.445 nan 8.180 nan 0.000 0.427 161 D N 0.981 121.548 120.400 0.278 0.000 2.233 161 D HA 0.111 4.750 4.640 -0.001 0.000 0.240 161 D C 0.409 176.833 176.300 0.207 0.000 1.074 161 D CA -0.187 53.949 54.000 0.227 0.000 0.838 161 D CB 0.810 41.813 40.800 0.338 0.000 1.124 161 D HN -0.099 nan 8.370 nan 0.000 0.475 162 N N 1.423 120.210 118.700 0.146 0.000 2.483 162 N HA 0.173 4.912 4.740 -0.001 0.000 0.269 162 N C 1.277 176.903 175.510 0.194 0.000 1.209 162 N CA -0.369 52.758 53.050 0.127 0.000 0.969 162 N CB 1.092 39.647 38.487 0.112 0.000 1.173 162 N HN 0.330 nan 8.380 nan 0.000 0.475 163 L N 0.796 122.067 121.223 0.081 0.000 2.275 163 L HA -0.132 4.208 4.340 -0.001 0.000 0.215 163 L C 1.578 178.575 176.870 0.212 0.000 1.119 163 L CA 0.680 55.546 54.840 0.044 0.000 0.790 163 L CB -0.455 41.375 42.059 -0.382 0.000 0.919 163 L HN 0.554 nan 8.230 nan 0.000 0.443 164 N N 1.060 119.856 118.700 0.160 0.000 2.609 164 N HA -0.197 4.542 4.740 -0.001 0.000 0.190 164 N C 0.702 176.335 175.510 0.205 0.000 1.157 164 N CA 0.416 53.571 53.050 0.174 0.000 0.918 164 N CB -0.157 38.400 38.487 0.117 0.000 0.978 164 N HN 0.278 nan 8.380 nan 0.000 0.448 165 R N -2.601 118.048 120.500 0.248 0.000 3.892 165 R HA -0.100 4.240 4.340 -0.001 0.000 0.441 165 R C -0.920 175.450 176.300 0.117 0.000 1.052 165 R CA 0.757 56.976 56.100 0.197 0.000 1.190 165 R CB -2.402 27.995 30.300 0.161 0.000 1.808 165 R HN 0.107 nan 8.270 nan 0.000 0.538 166 V N 1.885 121.877 119.914 0.131 0.000 2.583 166 V HA 0.248 4.367 4.120 -0.001 0.000 0.287 166 V C 0.854 176.999 176.094 0.085 0.000 1.051 166 V CA -0.274 62.101 62.300 0.124 0.000 1.010 166 V CB 1.744 33.682 31.823 0.191 0.000 0.988 166 V HN -0.017 nan 8.190 nan 0.000 0.478 167 V N 4.452 124.371 119.914 0.008 0.000 2.370 167 V HA 0.276 4.395 4.120 -0.001 0.000 0.279 167 V C 0.301 176.220 176.094 -0.293 0.000 1.029 167 V CA -0.591 61.650 62.300 -0.098 0.000 0.870 167 V CB 1.374 33.126 31.823 -0.117 0.000 0.984 167 V HN 0.979 nan 8.190 nan 0.000 0.451 168 E N 5.998 125.896 120.200 -0.503 0.000 2.257 168 E HA 0.201 4.550 4.350 -0.001 0.000 0.278 168 E C -0.096 176.139 176.600 -0.609 0.000 1.049 168 E CA -0.530 55.184 56.400 -1.144 0.000 0.876 168 E CB 0.202 29.114 29.700 -1.312 0.000 1.035 168 E HN 0.514 nan 8.360 nan 0.000 0.419 169 R N 1.869 121.981 120.500 -0.647 0.000 3.261 169 R HA -0.135 4.205 4.340 -0.001 0.000 0.257 169 R C -0.583 175.113 176.300 -1.007 0.000 1.014 169 R CA 0.900 56.653 56.100 -0.578 0.000 0.681 169 R CB -2.504 27.743 30.300 -0.088 0.000 1.155 169 R HN 0.617 nan 8.270 nan 0.000 0.424 170 G N 0.174 108.297 108.800 -1.128 0.000 2.605 170 G HA2 0.554 4.513 3.960 -0.001 0.000 0.304 170 G HA3 0.554 4.513 3.960 -0.001 0.000 0.304 170 G C -0.216 174.190 174.900 -0.824 0.000 1.333 170 G CA -0.549 44.079 45.100 -0.786 0.000 0.973 170 G HN 0.215 nan 8.290 nan 0.000 0.507 171 Y N 1.241 121.490 120.300 -0.085 0.000 2.660 171 Y HA 0.470 5.019 4.550 -0.002 0.000 0.254 171 Y C 1.445 177.377 175.900 0.052 0.000 1.176 171 Y CA -0.299 57.785 58.100 -0.027 0.000 1.195 171 Y CB 1.024 39.478 38.460 -0.010 0.000 1.190 171 Y HN 0.639 nan 8.280 nan 0.000 0.535 172 A N -0.367 122.502 122.820 0.081 0.000 2.605 172 A HA 0.696 5.015 4.320 -0.001 0.000 0.292 172 A C 1.003 178.619 177.584 0.053 0.000 1.055 172 A CA 0.221 52.324 52.037 0.109 0.000 0.969 172 A CB -0.317 18.765 19.000 0.137 0.000 1.236 172 A HN 0.510 nan 8.150 nan 0.000 0.534 173 G N -0.736 108.079 108.800 0.025 0.000 2.422 173 G HA2 0.036 3.995 3.960 -0.001 0.000 0.607 173 G HA3 0.036 3.995 3.960 -0.001 0.000 0.607 173 G C -0.543 174.340 174.900 -0.028 0.000 1.270 173 G CA -0.624 44.477 45.100 0.001 0.000 0.992 173 G HN 0.575 nan 8.290 nan 0.000 0.499 174 L N 0.426 121.627 121.223 -0.036 0.000 2.472 174 L HA 0.489 4.828 4.340 -0.001 0.000 0.260 174 L C 1.737 178.541 176.870 -0.110 0.000 1.209 174 L CA 0.141 54.956 54.840 -0.042 0.000 0.817 174 L CB 1.030 43.074 42.059 -0.025 0.000 1.106 174 L HN 0.807 nan 8.230 nan 0.000 0.479 175 S N 0.468 116.098 115.700 -0.116 0.000 2.558 175 S HA 0.010 4.479 4.470 -0.001 0.000 0.293 175 S C 1.200 175.525 174.600 -0.458 0.000 1.292 175 S CA -0.398 57.636 58.200 -0.276 0.000 1.063 175 S CB 0.266 63.395 63.200 -0.119 0.000 0.831 175 S HN 0.503 nan 8.310 nan 0.000 0.499 176 L N 3.604 124.316 121.223 -0.852 0.000 2.191 176 L HA -0.033 4.306 4.340 -0.001 0.000 0.212 176 L C 0.529 177.085 176.870 -0.522 0.000 1.103 176 L CA 0.692 55.048 54.840 -0.806 0.000 0.769 176 L CB -0.214 41.145 42.059 -1.167 0.000 0.908 176 L HN 0.695 nan 8.230 nan 0.000 0.438 177 W N 0.084 121.235 121.300 -0.248 0.000 2.437 177 W HA 0.183 4.843 4.660 -0.001 0.000 0.312 177 W C 0.072 176.183 176.519 -0.679 0.000 1.242 177 W CA -1.056 55.917 57.345 -0.620 0.000 1.340 177 W CB 0.137 28.906 29.460 -1.153 0.000 1.327 177 W HN -0.129 nan 8.180 nan 0.000 0.476 178 D N 3.374 123.693 120.400 -0.135 0.000 2.563 178 D HA 0.111 4.750 4.640 -0.001 0.000 0.222 178 D C 0.557 176.862 176.300 0.008 0.000 1.145 178 D CA -0.461 53.524 54.000 -0.025 0.000 1.001 178 D CB 0.039 40.911 40.800 0.120 0.000 1.049 178 D HN 0.369 nan 8.370 nan 0.000 0.515 179 W N 2.059 123.479 121.300 0.201 0.000 2.342 179 W HA -0.048 4.610 4.660 -0.002 0.000 0.297 179 W C 2.480 179.027 176.519 0.047 0.000 1.213 179 W CA 0.621 58.041 57.345 0.125 0.000 1.251 179 W CB -0.280 29.311 29.460 0.217 0.000 1.136 179 W HN 0.453 nan 8.180 nan 0.000 0.526 180 G N -0.085 108.876 108.800 0.268 0.000 2.462 180 G HA2 -0.291 3.668 3.960 -0.001 0.000 0.220 180 G HA3 -0.291 3.668 3.960 -0.001 0.000 0.220 180 G C 1.409 176.381 174.900 0.120 0.000 1.121 180 G CA 1.509 46.705 45.100 0.160 0.000 0.758 180 G HN 0.342 nan 8.290 nan 0.000 0.559 181 S N -0.988 114.799 115.700 0.146 0.000 2.539 181 S HA 0.432 4.901 4.470 -0.001 0.000 0.221 181 S C 0.642 175.347 174.600 0.175 0.000 0.987 181 S CA -0.579 57.714 58.200 0.155 0.000 0.929 181 S CB 0.106 63.428 63.200 0.204 0.000 0.832 181 S HN 0.135 nan 8.310 nan 0.000 0.492 182 L N 2.538 123.850 121.223 0.148 0.000 2.399 182 L HA 0.390 4.729 4.340 -0.001 0.000 0.266 182 L C -1.396 175.510 176.870 0.059 0.000 1.114 182 L CA -2.089 52.815 54.840 0.107 0.000 0.804 182 L CB 1.052 43.163 42.059 0.086 0.000 1.146 182 L HN -0.008 nan 8.230 nan 0.000 0.451 183 P HA 0.035 nan 4.420 nan 0.000 0.249 183 P C 0.290 177.633 177.300 0.072 0.000 1.229 183 P CA 0.475 63.597 63.100 0.036 0.000 0.788 183 P CB 0.211 31.919 31.700 0.013 0.000 1.072 184 N N -0.382 118.375 118.700 0.095 0.000 2.120 184 N HA -0.168 4.571 4.740 -0.001 0.000 0.188 184 N C 0.379 176.005 175.510 0.194 0.000 1.024 184 N CA 0.983 54.104 53.050 0.118 0.000 0.852 184 N CB -0.828 37.719 38.487 0.101 0.000 1.003 184 N HN 0.200 nan 8.380 nan 0.000 0.424 185 Y N 1.593 121.936 120.300 0.071 0.000 2.434 185 Y HA 0.376 4.927 4.550 0.001 0.000 0.341 185 Y C -0.857 175.131 175.900 0.147 0.000 0.965 185 Y CA -1.494 56.654 58.100 0.080 0.000 1.205 185 Y CB 0.156 38.651 38.460 0.058 0.000 1.121 185 Y HN -0.068 nan 8.280 nan 0.000 0.507 186 L N 7.235 128.394 121.223 -0.107 0.000 2.375 186 L HA 0.445 4.784 4.340 -0.001 0.000 0.276 186 L C 0.691 177.262 176.870 -0.499 0.000 1.162 186 L CA -0.639 54.129 54.840 -0.121 0.000 0.991 186 L CB -0.295 41.780 42.059 0.026 0.000 1.315 186 L HN 0.738 nan 8.230 nan 0.000 0.431 187 A N 4.165 126.409 122.820 -0.960 0.000 2.511 187 A HA 0.268 4.587 4.320 -0.001 0.000 0.242 187 A C -1.221 176.072 177.584 -0.484 0.000 1.069 187 A CA -0.941 50.423 52.037 -1.121 0.000 0.763 187 A CB 0.143 18.386 19.000 -1.262 0.000 1.001 187 A HN 0.470 nan 8.150 nan 0.000 0.498 188 P HA -0.204 nan 4.420 nan 0.000 0.217 188 P C 1.608 178.944 177.300 0.059 0.000 1.151 188 P CA 1.445 64.537 63.100 -0.014 0.000 0.849 188 P CB 0.060 31.781 31.700 0.036 0.000 0.787 189 R N -1.461 119.020 120.500 -0.032 0.000 2.159 189 R HA -0.187 4.152 4.340 -0.001 0.000 0.237 189 R C 1.977 178.482 176.300 0.343 0.000 1.131 189 R CA 1.287 57.482 56.100 0.159 0.000 0.982 189 R CB -0.539 29.754 30.300 -0.012 0.000 0.868 189 R HN 0.175 nan 8.270 nan 0.000 0.453 190 Y N -0.242 120.235 120.300 0.295 0.000 2.224 190 Y HA -0.124 4.425 4.550 -0.001 0.000 0.289 190 Y C 2.478 178.677 175.900 0.499 0.000 1.146 190 Y CA 1.385 59.756 58.100 0.452 0.000 1.182 190 Y CB -0.920 37.703 38.460 0.271 0.000 0.983 190 Y HN 0.023 nan 8.280 nan 0.000 0.524 191 T N -0.233 114.590 114.554 0.448 0.000 2.821 191 T HA -0.138 4.211 4.350 -0.001 0.000 0.267 191 T C 1.367 176.146 174.700 0.132 0.000 1.046 191 T CA 1.519 63.797 62.100 0.297 0.000 1.139 191 T CB -0.311 68.715 68.868 0.263 0.000 0.871 191 T HN 0.298 nan 8.240 nan 0.000 0.454 192 D N 0.235 120.769 120.400 0.224 0.000 2.144 192 D HA -0.082 4.557 4.640 -0.001 0.000 0.199 192 D C 1.675 177.964 176.300 -0.017 0.000 0.984 192 D CA 0.881 54.955 54.000 0.124 0.000 0.834 192 D CB -0.347 40.624 40.800 0.284 0.000 0.955 192 D HN 0.469 nan 8.370 nan 0.000 0.465 193 Y N 1.677 122.056 120.300 0.131 0.000 2.181 193 Y HA -0.165 4.384 4.550 -0.001 0.000 0.288 193 Y C 2.270 178.093 175.900 -0.129 0.000 1.146 193 Y CA 1.774 59.885 58.100 0.018 0.000 1.164 193 Y CB -0.282 38.444 38.460 0.444 0.000 0.982 193 Y HN -0.056 nan 8.280 nan 0.000 0.515 194 A N 0.725 123.498 122.820 -0.077 0.000 1.902 194 A HA -0.171 4.148 4.320 -0.001 0.000 0.217 194 A C 2.282 179.557 177.584 -0.515 0.000 1.181 194 A CA 1.725 53.574 52.037 -0.314 0.000 0.623 194 A CB -0.617 18.326 19.000 -0.096 0.000 0.818 194 A HN 0.554 nan 8.150 nan 0.000 0.443 195 R N -0.527 119.606 120.500 -0.611 0.000 2.073 195 R HA -0.072 4.268 4.340 -0.001 0.000 0.234 195 R C 2.021 178.078 176.300 -0.406 0.000 1.134 195 R CA 1.657 57.516 56.100 -0.402 0.000 0.952 195 R CB -0.544 29.634 30.300 -0.202 0.000 0.850 195 R HN 0.563 nan 8.270 nan 0.000 0.433 196 I N 1.227 121.462 120.570 -0.558 0.000 2.127 196 I HA -0.343 3.827 4.170 -0.001 0.000 0.241 196 I C 1.961 177.804 176.117 -0.455 0.000 1.075 196 I CA 1.307 62.165 61.300 -0.737 0.000 1.334 196 I CB -0.357 36.955 38.000 -1.146 0.000 1.040 196 I HN 0.235 nan 8.210 nan 0.000 0.405 197 N N 0.842 119.298 118.700 -0.406 0.000 2.142 197 N HA -0.093 4.646 4.740 -0.001 0.000 0.186 197 N C 1.891 177.315 175.510 -0.143 0.000 1.023 197 N CA 1.541 54.484 53.050 -0.179 0.000 0.852 197 N CB -0.291 38.061 38.487 -0.225 0.000 0.998 197 N HN 0.338 nan 8.380 nan 0.000 0.424 198 A N 1.083 123.812 122.820 -0.152 0.000 1.972 198 A HA -0.134 4.185 4.320 -0.001 0.000 0.219 198 A C 2.337 179.680 177.584 -0.402 0.000 1.169 198 A CA 1.863 53.905 52.037 0.009 0.000 0.635 198 A CB -0.692 18.511 19.000 0.339 0.000 0.810 198 A HN 0.453 nan 8.150 nan 0.000 0.446 199 S N -0.332 114.800 115.700 -0.946 0.000 2.469 199 S HA -0.026 4.443 4.470 -0.001 0.000 0.238 199 S C 1.407 175.702 174.600 -0.508 0.000 0.998 199 S CA 1.407 58.842 58.200 -1.275 0.000 0.957 199 S CB -0.476 62.263 63.200 -0.768 0.000 0.764 199 S HN 0.480 nan 8.310 nan 0.000 0.514 200 L N 0.287 121.293 121.223 -0.362 0.000 2.640 200 L HA 0.410 4.749 4.340 -0.001 0.000 0.230 200 L C 1.725 178.372 176.870 -0.372 0.000 1.123 200 L CA 0.230 54.839 54.840 -0.386 0.000 0.900 200 L CB -0.330 41.546 42.059 -0.305 0.000 1.146 200 L HN 0.525 nan 8.230 nan 0.000 0.484 201 G N 0.927 109.506 108.800 -0.367 0.000 2.143 201 G HA2 -0.238 3.721 3.960 -0.001 0.000 0.248 201 G HA3 -0.238 3.721 3.960 -0.001 0.000 0.248 201 G C 0.301 175.115 174.900 -0.144 0.000 0.991 201 G CA -0.396 44.395 45.100 -0.514 0.000 0.689 201 G HN 0.159 nan 8.290 nan 0.000 0.522 202 I N 1.692 122.246 120.570 -0.026 0.000 2.598 202 I HA 0.100 4.270 4.170 -0.001 0.000 0.284 202 I C 1.051 177.269 176.117 0.169 0.000 1.140 202 I CA 0.598 61.944 61.300 0.077 0.000 1.420 202 I CB 0.802 38.871 38.000 0.115 0.000 1.387 202 I HN 0.437 nan 8.210 nan 0.000 0.553 203 N N 3.891 122.717 118.700 0.210 0.000 2.197 203 N HA 0.242 4.982 4.740 -0.001 0.000 0.228 203 N C -0.072 175.640 175.510 0.337 0.000 1.212 203 N CA -0.315 52.913 53.050 0.297 0.000 0.883 203 N CB 1.090 39.767 38.487 0.315 0.000 1.107 203 N HN 0.599 nan 8.380 nan 0.000 0.519 204 G N -0.632 108.358 108.800 0.316 0.000 2.703 204 G HA2 0.552 4.511 3.960 -0.001 0.000 0.294 204 G HA3 0.552 4.511 3.960 -0.001 0.000 0.294 204 G C -1.654 173.440 174.900 0.323 0.000 1.451 204 G CA -0.570 44.791 45.100 0.435 0.000 0.869 204 G HN 0.274 nan 8.290 nan 0.000 0.516 205 T N -1.821 112.987 114.554 0.422 0.000 2.916 205 T HA 0.620 4.969 4.350 -0.001 0.000 0.298 205 T C -0.910 174.037 174.700 0.412 0.000 1.031 205 T CA -0.721 61.604 62.100 0.375 0.000 0.993 205 T CB 1.842 70.948 68.868 0.397 0.000 1.045 205 T HN 0.719 nan 8.240 nan 0.000 0.454 206 V N 4.778 124.902 119.914 0.349 0.000 2.318 206 V HA 0.295 4.414 4.120 -0.001 0.000 0.271 206 V C 1.456 177.785 176.094 0.391 0.000 1.030 206 V CA -0.744 61.764 62.300 0.347 0.000 0.844 206 V CB 0.340 32.334 31.823 0.285 0.000 1.015 206 V HN 0.991 nan 8.190 nan 0.000 0.460 207 I N 1.647 122.394 120.570 0.295 0.000 3.419 207 I HA 0.225 4.394 4.170 -0.001 0.000 0.286 207 I C 0.707 177.065 176.117 0.401 0.000 1.268 207 I CA 0.296 61.732 61.300 0.228 0.000 1.414 207 I CB -0.001 37.818 38.000 -0.302 0.000 1.074 207 I HN 0.669 nan 8.210 nan 0.000 0.457 208 N N 1.364 120.267 118.700 0.338 0.000 2.265 208 N HA 0.189 4.928 4.740 -0.001 0.000 0.300 208 N C -0.998 174.664 175.510 0.254 0.000 1.148 208 N CA -0.716 52.515 53.050 0.302 0.000 0.772 208 N CB 0.752 39.357 38.487 0.197 0.000 1.434 208 N HN -0.042 nan 8.380 nan 0.000 0.481 209 N N 0.207 119.021 118.700 0.191 0.000 2.412 209 N HA -0.056 4.683 4.740 -0.001 0.000 0.254 209 N C 1.573 177.092 175.510 0.015 0.000 1.232 209 N CA -0.063 53.050 53.050 0.104 0.000 0.880 209 N CB 0.854 39.344 38.487 0.006 0.000 1.076 209 N HN 0.500 nan 8.380 nan 0.000 0.458 210 V N 0.849 120.710 119.914 -0.089 0.000 2.469 210 V HA -0.098 4.021 4.120 -0.001 0.000 0.251 210 V C 0.565 176.559 176.094 -0.168 0.000 1.064 210 V CA 1.144 63.358 62.300 -0.144 0.000 1.066 210 V CB -0.572 31.107 31.823 -0.239 0.000 0.667 210 V HN 0.513 nan 8.190 nan 0.000 0.461 211 N N 2.633 121.207 118.700 -0.211 0.000 2.549 211 N HA 0.503 5.242 4.740 -0.001 0.000 0.267 211 N C 0.012 175.480 175.510 -0.070 0.000 1.182 211 N CA 0.770 53.740 53.050 -0.133 0.000 1.019 211 N CB 0.696 39.098 38.487 -0.142 0.000 1.380 211 N HN 0.723 nan 8.380 nan 0.000 0.505 212 A N 1.091 123.882 122.820 -0.047 0.000 2.331 212 A HA 0.210 4.529 4.320 -0.001 0.000 0.283 212 A C 0.125 177.689 177.584 -0.033 0.000 1.142 212 A CA -0.625 51.395 52.037 -0.028 0.000 0.812 212 A CB 0.684 19.678 19.000 -0.010 0.000 1.074 212 A HN 0.367 nan 8.150 nan 0.000 0.497 213 D N 3.169 123.532 120.400 -0.062 0.000 2.317 213 D HA 0.295 4.934 4.640 -0.001 0.000 0.234 213 D C -1.525 174.709 176.300 -0.111 0.000 1.112 213 D CA -1.765 52.168 54.000 -0.111 0.000 0.840 213 D CB 1.532 42.222 40.800 -0.184 0.000 1.078 213 D HN 0.233 nan 8.370 nan 0.000 0.486 214 P HA -0.094 nan 4.420 nan 0.000 0.225 214 P C 1.076 178.363 177.300 -0.021 0.000 1.148 214 P CA 0.510 63.614 63.100 0.007 0.000 0.779 214 P CB 0.425 32.111 31.700 -0.022 0.000 0.780 215 R N 0.317 120.683 120.500 -0.224 0.000 2.159 215 R HA -0.077 4.263 4.340 -0.001 0.000 0.237 215 R C 2.245 178.372 176.300 -0.288 0.000 1.131 215 R CA 1.486 57.402 56.100 -0.307 0.000 0.982 215 R CB -1.020 28.955 30.300 -0.541 0.000 0.868 215 R HN 0.230 nan 8.270 nan 0.000 0.453 216 V N -1.335 118.393 119.914 -0.310 0.000 2.720 216 V HA -0.124 3.995 4.120 -0.001 0.000 0.256 216 V C 1.607 177.689 176.094 -0.020 0.000 1.082 216 V CA 1.570 63.743 62.300 -0.212 0.000 1.101 216 V CB -0.520 31.209 31.823 -0.156 0.000 0.693 216 V HN 0.229 nan 8.190 nan 0.000 0.479 217 L N 1.746 123.016 121.223 0.079 0.000 2.592 217 L HA 0.247 4.586 4.340 -0.001 0.000 0.227 217 L C 1.295 178.217 176.870 0.086 0.000 1.127 217 L CA 0.389 55.259 54.840 0.049 0.000 0.884 217 L CB -0.272 41.797 42.059 0.017 0.000 1.065 217 L HN 0.542 nan 8.230 nan 0.000 0.457 218 S N -2.146 113.711 115.700 0.262 0.000 2.601 218 S HA 0.066 4.535 4.470 -0.001 0.000 0.271 218 S C 0.731 175.381 174.600 0.082 0.000 1.305 218 S CA -0.614 57.754 58.200 0.281 0.000 1.022 218 S CB 1.818 65.201 63.200 0.304 0.000 0.940 218 S HN 0.115 nan 8.310 nan 0.000 0.525 219 D N 0.642 121.077 120.400 0.059 0.000 2.133 219 D HA -0.203 4.436 4.640 -0.001 0.000 0.195 219 D C 2.005 178.257 176.300 -0.079 0.000 0.997 219 D CA 1.864 55.859 54.000 -0.007 0.000 0.840 219 D CB -0.161 40.690 40.800 0.085 0.000 0.947 219 D HN 0.781 nan 8.370 nan 0.000 0.452 220 Q N -1.228 118.561 119.800 -0.018 0.000 2.077 220 Q HA -0.212 4.128 4.340 -0.001 0.000 0.206 220 Q C 1.733 177.574 176.000 -0.265 0.000 0.989 220 Q CA 1.516 57.254 55.803 -0.109 0.000 0.853 220 Q CB -0.206 28.495 28.738 -0.061 0.000 0.907 220 Q HN 0.370 nan 8.270 nan 0.000 0.418 221 F N -0.285 119.568 119.950 -0.162 0.000 2.387 221 F HA 0.034 4.560 4.527 -0.002 0.000 0.294 221 F C 1.914 177.562 175.800 -0.253 0.000 1.093 221 F CA 0.365 58.231 58.000 -0.223 0.000 1.420 221 F CB 0.087 38.896 39.000 -0.318 0.000 1.086 221 F HN 0.039 nan 8.300 nan 0.000 0.531 222 L N -0.386 120.706 121.223 -0.218 0.000 2.083 222 L HA -0.253 4.086 4.340 -0.001 0.000 0.209 222 L C 2.324 178.799 176.870 -0.658 0.000 1.083 222 L CA 1.355 55.899 54.840 -0.492 0.000 0.752 222 L CB -0.687 40.926 42.059 -0.742 0.000 0.899 222 L HN 0.198 nan 8.230 nan 0.000 0.433 223 Q N -0.039 119.392 119.800 -0.614 0.000 2.084 223 Q HA -0.224 4.115 4.340 -0.001 0.000 0.202 223 Q C 2.211 178.118 176.000 -0.155 0.000 0.978 223 Q CA 1.470 57.072 55.803 -0.335 0.000 0.844 223 Q CB -0.033 28.621 28.738 -0.140 0.000 0.898 223 Q HN 0.489 nan 8.270 nan 0.000 0.426 224 K N 0.380 120.711 120.400 -0.115 0.000 2.057 224 K HA -0.087 4.232 4.320 -0.001 0.000 0.206 224 K C 2.030 178.651 176.600 0.036 0.000 1.050 224 K CA 1.054 57.354 56.287 0.022 0.000 0.935 224 K CB -0.081 32.529 32.500 0.184 0.000 0.715 224 K HN 0.167 nan 8.250 nan 0.000 0.439 225 I N 1.302 121.905 120.570 0.055 0.000 2.286 225 I HA -0.264 3.906 4.170 -0.001 0.000 0.248 225 I C 2.511 178.558 176.117 -0.115 0.000 1.115 225 I CA 0.996 62.303 61.300 0.011 0.000 1.392 225 I CB -0.386 37.640 38.000 0.043 0.000 1.065 225 I HN 0.143 nan 8.210 nan 0.000 0.418 226 A N 0.796 123.548 122.820 -0.114 0.000 1.940 226 A HA -0.193 4.127 4.320 -0.001 0.000 0.219 226 A C 2.543 180.069 177.584 -0.097 0.000 1.176 226 A CA 1.906 53.899 52.037 -0.074 0.000 0.631 226 A CB -0.782 18.224 19.000 0.010 0.000 0.814 226 A HN 0.441 nan 8.150 nan 0.000 0.446 227 A N -0.264 122.486 122.820 -0.116 0.000 1.933 227 A HA -0.012 4.308 4.320 -0.001 0.000 0.218 227 A C 2.158 179.571 177.584 -0.285 0.000 1.175 227 A CA 1.437 53.394 52.037 -0.133 0.000 0.628 227 A CB -0.548 18.396 19.000 -0.093 0.000 0.814 227 A HN 0.482 nan 8.150 nan 0.000 0.444 228 L N -0.804 120.135 121.223 -0.474 0.000 2.017 228 L HA -0.184 4.155 4.340 -0.001 0.000 0.208 228 L C 3.113 179.376 176.870 -1.011 0.000 1.073 228 L CA 1.106 55.390 54.840 -0.926 0.000 0.745 228 L CB -0.644 40.770 42.059 -1.075 0.000 0.894 228 L HN 0.422 nan 8.230 nan 0.000 0.432 229 A N -0.041 122.471 122.820 -0.513 0.000 1.940 229 A HA -0.241 4.078 4.320 -0.001 0.000 0.219 229 A C 1.899 179.428 177.584 -0.092 0.000 1.176 229 A CA 2.056 53.965 52.037 -0.214 0.000 0.631 229 A CB -0.539 18.437 19.000 -0.040 0.000 0.814 229 A HN 0.379 nan 8.150 nan 0.000 0.446 230 D N 0.065 120.405 120.400 -0.100 0.000 2.144 230 D HA -0.038 4.601 4.640 -0.001 0.000 0.199 230 D C 2.148 178.477 176.300 0.049 0.000 0.984 230 D CA 1.456 55.454 54.000 -0.003 0.000 0.834 230 D CB -0.395 40.404 40.800 -0.002 0.000 0.955 230 D HN 0.451 nan 8.370 nan 0.000 0.465 231 A N 0.156 122.963 122.820 -0.021 0.000 1.968 231 A HA -0.103 4.216 4.320 -0.001 0.000 0.217 231 A C 1.711 179.558 177.584 0.438 0.000 1.169 231 A CA 0.766 52.899 52.037 0.159 0.000 0.638 231 A CB -0.540 18.531 19.000 0.118 0.000 0.812 231 A HN 0.098 nan 8.150 nan 0.000 0.446 232 F N -0.402 119.684 119.950 0.228 0.000 2.335 232 F HA 0.139 4.665 4.527 -0.002 0.000 0.296 232 F C 2.175 178.149 175.800 0.290 0.000 1.091 232 F CA 0.367 58.539 58.000 0.287 0.000 1.399 232 F CB -0.957 38.183 39.000 0.232 0.000 1.067 232 F HN 0.241 nan 8.300 nan 0.000 0.520 233 R N 1.181 121.903 120.500 0.371 0.000 2.096 233 R HA -0.153 4.186 4.340 -0.001 0.000 0.240 233 R C -0.683 175.733 176.300 0.195 0.000 1.139 233 R CA 1.931 58.180 56.100 0.247 0.000 0.952 233 R CB -1.482 28.914 30.300 0.160 0.000 0.854 233 R HN 0.116 nan 8.270 nan 0.000 0.436 234 P HA -0.144 nan 4.420 nan 0.000 0.222 234 P C 0.134 177.340 177.300 -0.158 0.000 1.147 234 P CA 1.353 64.428 63.100 -0.041 0.000 0.790 234 P CB -0.071 31.553 31.700 -0.127 0.000 0.780 235 Y N -0.722 119.685 120.300 0.177 0.000 2.493 235 Y HA 0.389 4.938 4.550 -0.001 0.000 0.275 235 Y C 1.852 177.863 175.900 0.184 0.000 1.183 235 Y CA 0.517 58.729 58.100 0.187 0.000 1.258 235 Y CB -0.373 38.219 38.460 0.219 0.000 1.108 235 Y HN 0.049 nan 8.280 nan 0.000 0.521 236 G N 0.781 109.734 108.800 0.254 0.000 2.143 236 G HA2 -0.300 3.659 3.960 -0.001 0.000 0.249 236 G HA3 -0.300 3.659 3.960 -0.001 0.000 0.249 236 G C 0.021 175.102 174.900 0.301 0.000 0.981 236 G CA 0.034 45.275 45.100 0.235 0.000 0.665 236 G HN 0.329 nan 8.290 nan 0.000 0.528 237 I N 1.170 121.934 120.570 0.323 0.000 2.312 237 I HA 0.307 4.476 4.170 -0.001 0.000 0.290 237 I C 0.687 177.000 176.117 0.325 0.000 1.008 237 I CA -0.592 60.895 61.300 0.312 0.000 1.226 237 I CB 1.150 39.290 38.000 0.234 0.000 1.371 237 I HN -0.054 nan 8.210 nan 0.000 0.468 238 K N 5.293 125.873 120.400 0.299 0.000 2.154 238 K HA 0.395 4.714 4.320 -0.001 0.000 0.264 238 K C -0.311 176.393 176.600 0.175 0.000 1.008 238 K CA -0.775 55.616 56.287 0.173 0.000 0.937 238 K CB 1.107 33.630 32.500 0.039 0.000 1.002 238 K HN 0.373 nan 8.250 nan 0.000 0.469 239 M N 2.916 122.512 119.600 -0.005 0.000 2.180 239 M HA 0.246 4.725 4.480 -0.001 0.000 0.358 239 M C -1.665 174.349 176.300 -0.476 0.000 1.233 239 M CA 0.177 55.484 55.300 0.012 0.000 1.114 239 M CB 0.335 33.001 32.600 0.109 0.000 1.594 239 M HN 0.394 nan 8.290 nan 0.000 0.467 240 Y N 4.282 124.502 120.300 -0.134 0.000 2.536 240 Y HA 0.743 5.292 4.550 -0.002 0.000 0.347 240 Y C -1.060 174.902 175.900 0.103 0.000 1.000 240 Y CA -0.880 57.083 58.100 -0.229 0.000 1.051 240 Y CB 1.646 40.099 38.460 -0.011 0.000 1.259 240 Y HN 0.562 nan 8.280 nan 0.000 0.468 241 L N 1.290 122.774 121.223 0.435 0.000 2.386 241 L HA 0.530 4.869 4.340 -0.001 0.000 0.271 241 L C -0.480 176.601 176.870 0.350 0.000 0.993 241 L CA -0.876 54.219 54.840 0.425 0.000 0.819 241 L CB 2.216 44.559 42.059 0.472 0.000 1.294 241 L HN 0.572 nan 8.230 nan 0.000 0.414 242 S N 2.852 118.692 115.700 0.233 0.000 2.549 242 S HA 0.480 4.949 4.470 -0.001 0.000 0.279 242 S C -0.255 174.381 174.600 0.059 0.000 1.321 242 S CA -0.420 57.864 58.200 0.140 0.000 1.054 242 S CB 0.597 63.861 63.200 0.108 0.000 0.899 242 S HN 0.410 nan 8.310 nan 0.000 0.497 243 I N 0.564 121.122 120.570 -0.020 0.000 2.693 243 I HA 0.575 4.744 4.170 -0.001 0.000 0.303 243 I C -0.318 175.814 176.117 0.024 0.000 1.025 243 I CA -0.850 60.419 61.300 -0.051 0.000 1.086 243 I CB 1.316 39.142 38.000 -0.289 0.000 1.268 243 I HN 0.378 nan 8.210 nan 0.000 0.440 244 N N 3.569 122.331 118.700 0.102 0.000 2.426 244 N HA 0.167 4.906 4.740 -0.001 0.000 0.257 244 N C 0.183 175.842 175.510 0.248 0.000 1.002 244 N CA -0.290 52.838 53.050 0.130 0.000 0.942 244 N CB 0.761 39.300 38.487 0.087 0.000 1.112 244 N HN 0.830 nan 8.380 nan 0.000 0.499 245 F N 4.130 124.140 119.950 0.099 0.000 2.250 245 F HA -0.035 4.491 4.527 -0.002 0.000 0.301 245 F C 1.323 177.267 175.800 0.240 0.000 1.077 245 F CA 1.099 59.196 58.000 0.162 0.000 1.348 245 F CB 0.219 39.277 39.000 0.097 0.000 1.040 245 F HN 0.497 nan 8.300 nan 0.000 0.509 246 N N -0.331 118.515 118.700 0.242 0.000 2.370 246 N HA -0.017 4.723 4.740 -0.001 0.000 0.198 246 N C 1.664 177.124 175.510 -0.084 0.000 1.156 246 N CA 0.509 53.621 53.050 0.104 0.000 0.839 246 N CB -0.175 38.404 38.487 0.155 0.000 0.989 246 N HN 0.116 nan 8.380 nan 0.000 0.468 247 S N 1.147 116.778 115.700 -0.115 0.000 2.374 247 S HA -0.110 4.359 4.470 -0.001 0.000 0.227 247 S C -0.715 173.406 174.600 -0.799 0.000 1.037 247 S CA 1.165 59.192 58.200 -0.289 0.000 1.024 247 S CB -0.854 62.194 63.200 -0.253 0.000 0.861 247 S HN 0.389 nan 8.310 nan 0.000 0.456 248 P HA -0.098 nan 4.420 nan 0.000 0.216 248 P C 1.295 178.190 177.300 -0.675 0.000 1.150 248 P CA 1.210 63.310 63.100 -1.668 0.000 0.843 248 P CB 0.001 30.945 31.700 -1.259 0.000 0.787 249 R N -0.584 119.685 120.500 -0.385 0.000 2.062 249 R HA 0.082 4.421 4.340 -0.001 0.000 0.226 249 R C 2.380 178.613 176.300 -0.111 0.000 1.125 249 R CA 1.270 57.267 56.100 -0.171 0.000 0.966 249 R CB -1.172 29.080 30.300 -0.079 0.000 0.861 249 R HN 0.101 nan 8.270 nan 0.000 0.433 250 A N 0.879 123.634 122.820 -0.108 0.000 1.948 250 A HA -0.160 4.159 4.320 -0.001 0.000 0.220 250 A C 1.686 179.175 177.584 -0.159 0.000 1.177 250 A CA 1.336 53.303 52.037 -0.118 0.000 0.636 250 A CB -0.581 18.343 19.000 -0.126 0.000 0.815 250 A HN 0.241 nan 8.150 nan 0.000 0.449 251 F N -0.516 119.353 119.950 -0.136 0.000 2.811 251 F HA 0.289 4.816 4.527 -0.001 0.000 0.301 251 F C 1.892 177.678 175.800 -0.024 0.000 1.151 251 F CA 0.645 58.627 58.000 -0.030 0.000 1.412 251 F CB -0.179 38.890 39.000 0.114 0.000 1.113 251 F HN 0.373 nan 8.300 nan 0.000 0.579 252 G N 0.306 109.139 108.800 0.054 0.000 2.179 252 G HA2 -0.306 3.653 3.960 -0.001 0.000 0.257 252 G HA3 -0.306 3.653 3.960 -0.001 0.000 0.257 252 G C 0.804 175.731 174.900 0.045 0.000 1.010 252 G CA 0.670 45.785 45.100 0.025 0.000 0.736 252 G HN 0.345 nan 8.290 nan 0.000 0.513 253 D N -1.053 119.377 120.400 0.049 0.000 2.338 253 D HA 0.221 4.860 4.640 -0.001 0.000 0.208 253 D C 1.083 177.383 176.300 0.001 0.000 0.997 253 D CA 1.122 55.169 54.000 0.078 0.000 0.880 253 D CB 0.741 41.696 40.800 0.259 0.000 0.980 253 D HN 0.400 nan 8.370 nan 0.000 0.509 254 V N 1.774 121.628 119.914 -0.101 0.000 2.888 254 V HA 0.109 4.228 4.120 -0.001 0.000 0.309 254 V C -0.267 175.771 176.094 -0.093 0.000 1.114 254 V CA -0.889 61.351 62.300 -0.100 0.000 0.940 254 V CB 2.352 34.078 31.823 -0.161 0.000 1.021 254 V HN -0.092 nan 8.190 nan 0.000 0.426 255 D N 0.317 120.690 120.400 -0.046 0.000 2.324 255 D HA 0.143 4.782 4.640 -0.001 0.000 0.235 255 D C 0.463 176.764 176.300 0.001 0.000 1.095 255 D CA 0.301 54.291 54.000 -0.017 0.000 0.871 255 D CB 0.596 41.399 40.800 0.004 0.000 0.906 255 D HN 0.554 nan 8.370 nan 0.000 0.522 256 T N -2.183 112.342 114.554 -0.048 0.000 2.792 256 T HA 0.618 4.968 4.350 -0.001 0.000 0.303 256 T C -1.105 173.442 174.700 -0.255 0.000 1.310 256 T CA -0.260 61.802 62.100 -0.063 0.000 1.007 256 T CB 1.417 70.257 68.868 -0.048 0.000 1.335 256 T HN -0.091 nan 8.240 nan 0.000 0.504 257 A N 1.581 124.043 122.820 -0.596 0.000 2.571 257 A HA 0.402 4.722 4.320 -0.001 0.000 0.274 257 A C 0.226 177.369 177.584 -0.734 0.000 1.196 257 A CA -0.088 51.589 52.037 -0.599 0.000 0.957 257 A CB -0.153 18.652 19.000 -0.324 0.000 1.150 257 A HN 0.754 nan 8.150 nan 0.000 0.539 258 D N 1.714 121.593 120.400 -0.870 0.000 2.472 258 D HA 0.036 4.675 4.640 -0.001 0.000 0.248 258 D C -1.150 175.104 176.300 -0.076 0.000 1.174 258 D CA -1.360 52.415 54.000 -0.376 0.000 0.883 258 D CB 1.105 41.821 40.800 -0.139 0.000 1.149 258 D HN 0.169 nan 8.370 nan 0.000 0.488 259 P HA -0.093 nan 4.420 nan 0.000 0.230 259 P C 1.245 178.594 177.300 0.082 0.000 1.158 259 P CA 0.680 63.858 63.100 0.130 0.000 0.769 259 P CB 0.255 32.117 31.700 0.270 0.000 0.807 260 L N -0.951 120.310 121.223 0.064 0.000 2.592 260 L HA 0.172 4.511 4.340 -0.001 0.000 0.227 260 L C 1.128 178.022 176.870 0.039 0.000 1.127 260 L CA 0.078 54.946 54.840 0.047 0.000 0.884 260 L CB -0.480 41.604 42.059 0.042 0.000 1.065 260 L HN -0.046 nan 8.230 nan 0.000 0.457 261 D N 1.389 121.806 120.400 0.029 0.000 2.343 261 D HA 0.081 4.720 4.640 -0.001 0.000 0.255 261 D C -1.702 174.622 176.300 0.040 0.000 1.187 261 D CA -1.680 52.334 54.000 0.023 0.000 0.875 261 D CB 2.072 42.870 40.800 -0.004 0.000 1.136 261 D HN -0.111 nan 8.370 nan 0.000 0.469 262 P HA -0.110 nan 4.420 nan 0.000 0.217 262 P C 1.152 178.491 177.300 0.065 0.000 1.148 262 P CA 1.126 64.257 63.100 0.052 0.000 0.828 262 P CB 0.280 32.003 31.700 0.039 0.000 0.783 263 R N -0.807 119.726 120.500 0.054 0.000 2.096 263 R HA -0.061 4.278 4.340 -0.001 0.000 0.235 263 R C 2.091 178.452 176.300 0.102 0.000 1.127 263 R CA 1.116 57.255 56.100 0.065 0.000 0.968 263 R CB -1.193 29.130 30.300 0.039 0.000 0.861 263 R HN 0.120 nan 8.270 nan 0.000 0.440 264 V N 1.418 121.379 119.914 0.078 0.000 2.307 264 V HA -0.259 3.860 4.120 -0.001 0.000 0.245 264 V C 2.263 178.531 176.094 0.290 0.000 1.045 264 V CA 1.755 64.127 62.300 0.121 0.000 1.024 264 V CB -0.532 31.311 31.823 0.034 0.000 0.651 264 V HN 0.357 nan 8.190 nan 0.000 0.449 265 Q N -0.431 119.496 119.800 0.212 0.000 2.061 265 Q HA -0.320 4.020 4.340 -0.001 0.000 0.204 265 Q C 2.355 178.501 176.000 0.242 0.000 0.984 265 Q CA 2.051 57.992 55.803 0.229 0.000 0.846 265 Q CB -0.264 28.556 28.738 0.136 0.000 0.902 265 Q HN 0.540 nan 8.270 nan 0.000 0.421 266 Q N 0.051 119.956 119.800 0.175 0.000 2.119 266 Q HA -0.173 4.166 4.340 -0.001 0.000 0.201 266 Q C 1.447 177.521 176.000 0.123 0.000 0.972 266 Q CA 1.423 57.303 55.803 0.128 0.000 0.847 266 Q CB -0.418 28.368 28.738 0.080 0.000 0.903 266 Q HN 0.510 nan 8.270 nan 0.000 0.433 267 W N -0.768 120.506 121.300 -0.044 0.000 2.335 267 W HA -0.191 4.468 4.660 -0.002 0.000 0.311 267 W C 1.205 177.593 176.519 -0.218 0.000 1.213 267 W CA 1.766 58.992 57.345 -0.197 0.000 1.274 267 W CB -0.482 28.776 29.460 -0.336 0.000 1.148 267 W HN 0.229 nan 8.180 nan 0.000 0.498 268 W N 0.731 122.197 121.300 0.276 0.000 2.436 268 W HA -0.078 4.581 4.660 -0.002 0.000 0.284 268 W C 2.614 179.169 176.519 0.060 0.000 1.225 268 W CA 1.737 59.200 57.345 0.197 0.000 1.271 268 W CB -0.654 28.969 29.460 0.272 0.000 1.114 268 W HN -0.159 nan 8.180 nan 0.000 0.559 269 K N -0.097 120.458 120.400 0.259 0.000 2.026 269 K HA -0.150 4.169 4.320 -0.001 0.000 0.208 269 K C 1.746 178.382 176.600 0.060 0.000 1.048 269 K CA 2.075 58.467 56.287 0.175 0.000 0.929 269 K CB -0.620 31.964 32.500 0.140 0.000 0.713 269 K HN -0.072 nan 8.250 nan 0.000 0.439 270 T N 0.670 115.177 114.554 -0.077 0.000 2.788 270 T HA -0.108 4.241 4.350 -0.001 0.000 0.268 270 T C 1.841 176.358 174.700 -0.305 0.000 1.044 270 T CA 1.454 63.442 62.100 -0.186 0.000 1.139 270 T CB -0.215 68.494 68.868 -0.266 0.000 0.867 270 T HN 0.234 nan 8.240 nan 0.000 0.454 271 R N 1.605 121.812 120.500 -0.489 0.000 2.075 271 R HA 0.135 4.474 4.340 -0.001 0.000 0.232 271 R C 2.385 178.552 176.300 -0.222 0.000 1.126 271 R CA 1.548 57.315 56.100 -0.554 0.000 0.963 271 R CB -0.989 28.747 30.300 -0.939 0.000 0.858 271 R HN 0.353 nan 8.270 nan 0.000 0.435 272 A N 0.269 123.071 122.820 -0.030 0.000 1.902 272 A HA -0.225 4.094 4.320 -0.001 0.000 0.217 272 A C 2.064 179.513 177.584 -0.226 0.000 1.181 272 A CA 1.654 53.686 52.037 -0.008 0.000 0.623 272 A CB -0.539 18.553 19.000 0.154 0.000 0.818 272 A HN 0.518 nan 8.150 nan 0.000 0.443 273 Q N -0.614 119.095 119.800 -0.152 0.000 2.096 273 Q HA -0.222 4.117 4.340 -0.001 0.000 0.204 273 Q C 2.209 178.105 176.000 -0.174 0.000 0.982 273 Q CA 1.897 57.612 55.803 -0.146 0.000 0.850 273 Q CB -0.212 28.558 28.738 0.052 0.000 0.901 273 Q HN 0.734 nan 8.270 nan 0.000 0.422 274 K N 0.915 121.210 120.400 -0.174 0.000 2.025 274 K HA -0.150 4.169 4.320 -0.001 0.000 0.207 274 K C 1.976 178.515 176.600 -0.102 0.000 1.049 274 K CA 1.090 57.294 56.287 -0.138 0.000 0.933 274 K CB -0.072 32.339 32.500 -0.148 0.000 0.714 274 K HN 0.145 nan 8.250 nan 0.000 0.438 275 I N 0.242 120.675 120.570 -0.228 0.000 2.163 275 I HA -0.303 3.866 4.170 -0.001 0.000 0.243 275 I C 1.878 177.730 176.117 -0.442 0.000 1.085 275 I CA 1.492 62.548 61.300 -0.408 0.000 1.347 275 I CB -0.338 37.190 38.000 -0.785 0.000 1.044 275 I HN 0.190 nan 8.210 nan 0.000 0.408 276 Y N 0.727 120.761 120.300 -0.443 0.000 2.509 276 Y HA -0.189 4.361 4.550 -0.001 0.000 0.293 276 Y C 2.893 178.677 175.900 -0.193 0.000 1.133 276 Y CA 1.254 59.133 58.100 -0.368 0.000 1.283 276 Y CB -0.405 37.623 38.460 -0.720 0.000 1.001 276 Y HN 0.264 nan 8.280 nan 0.000 0.555 277 S N -1.117 114.527 115.700 -0.094 0.000 2.402 277 S HA -0.222 4.247 4.470 -0.001 0.000 0.229 277 S C 1.597 176.081 174.600 -0.193 0.000 1.021 277 S CA 1.182 59.296 58.200 -0.144 0.000 0.974 277 S CB -0.767 62.294 63.200 -0.232 0.000 0.800 277 S HN 0.479 nan 8.310 nan 0.000 0.484 278 Y N 1.129 121.353 120.300 -0.127 0.000 2.397 278 Y HA 0.471 5.020 4.550 -0.001 0.000 0.292 278 Y C 0.938 176.778 175.900 -0.099 0.000 1.115 278 Y CA 0.137 58.170 58.100 -0.111 0.000 1.208 278 Y CB 0.266 38.643 38.460 -0.139 0.000 1.046 278 Y HN 0.231 nan 8.280 nan 0.000 0.552 279 I N 0.634 121.210 120.570 0.009 0.000 2.714 279 I HA 0.199 4.368 4.170 -0.001 0.000 0.276 279 I C -2.284 173.824 176.117 -0.015 0.000 1.196 279 I CA -1.524 59.768 61.300 -0.014 0.000 1.068 279 I CB 1.814 39.793 38.000 -0.036 0.000 1.291 279 I HN -0.152 nan 8.210 nan 0.000 0.530 280 P HA -0.124 nan 4.420 nan 0.000 0.225 280 P C 0.455 177.949 177.300 0.324 0.000 1.148 280 P CA 1.186 64.416 63.100 0.217 0.000 0.779 280 P CB 0.007 31.800 31.700 0.154 0.000 0.780 281 D N -1.962 118.565 120.400 0.212 0.000 2.559 281 D HA 0.013 4.652 4.640 -0.001 0.000 0.234 281 D C -0.011 176.373 176.300 0.140 0.000 1.226 281 D CA -1.048 53.080 54.000 0.213 0.000 0.830 281 D CB -1.203 39.684 40.800 0.145 0.000 1.028 281 D HN 0.020 nan 8.370 nan 0.000 0.492 282 F N 1.553 121.402 119.950 -0.169 0.000 2.629 282 F HA 0.345 4.870 4.527 -0.002 0.000 0.377 282 F C 1.646 177.265 175.800 -0.302 0.000 1.101 282 F CA 0.696 58.451 58.000 -0.408 0.000 1.301 282 F CB 1.221 39.651 39.000 -0.950 0.000 1.062 282 F HN 0.039 nan 8.300 nan 0.000 0.583 283 G N 2.957 111.057 108.800 -1.165 0.000 2.408 283 G HA2 0.380 4.339 3.960 -0.001 0.000 0.215 283 G HA3 0.380 4.339 3.960 -0.001 0.000 0.215 283 G C 0.655 174.971 174.900 -0.973 0.000 1.156 283 G CA 0.609 44.911 45.100 -1.330 0.000 0.793 283 G HN 1.440 nan 8.290 nan 0.000 0.535 284 G N -1.346 106.713 108.800 -1.234 0.000 2.250 284 G HA2 0.255 4.214 3.960 -0.001 0.000 0.252 284 G HA3 0.255 4.214 3.960 -0.001 0.000 0.252 284 G C -1.429 173.390 174.900 -0.135 0.000 1.325 284 G CA -0.780 43.998 45.100 -0.538 0.000 1.091 284 G HN 0.278 nan 8.290 nan 0.000 0.476 285 F N -0.137 119.825 119.950 0.019 0.000 2.532 285 F HA 0.804 5.330 4.527 -0.001 0.000 0.321 285 F C 0.105 175.949 175.800 0.073 0.000 1.089 285 F CA -1.298 56.775 58.000 0.121 0.000 0.926 285 F CB 1.868 40.954 39.000 0.142 0.000 1.168 285 F HN 0.492 nan 8.300 nan 0.000 0.459 286 L N 3.312 124.753 121.223 0.363 0.000 2.295 286 L HA 0.810 5.149 4.340 -0.001 0.000 0.285 286 L C -1.072 175.859 176.870 0.101 0.000 1.035 286 L CA -0.530 54.471 54.840 0.268 0.000 0.806 286 L CB 1.421 43.645 42.059 0.274 0.000 1.214 286 L HN 0.335 nan 8.230 nan 0.000 0.426 287 V N 4.945 124.830 119.914 -0.048 0.000 2.483 287 V HA 0.455 4.574 4.120 -0.001 0.000 0.297 287 V C -0.425 175.391 176.094 -0.463 0.000 1.027 287 V CA -0.860 61.256 62.300 -0.307 0.000 0.855 287 V CB 1.467 32.948 31.823 -0.569 0.000 0.995 287 V HN 0.733 nan 8.190 nan 0.000 0.424 288 K N 3.649 123.850 120.400 -0.333 0.000 2.367 288 K HA 0.820 5.139 4.320 -0.001 0.000 0.263 288 K C -0.593 175.834 176.600 -0.289 0.000 1.000 288 K CA -0.272 55.835 56.287 -0.299 0.000 0.891 288 K CB 1.410 33.794 32.500 -0.192 0.000 1.117 288 K HN 0.894 nan 8.250 nan 0.000 0.443 289 A N 3.784 126.403 122.820 -0.334 0.000 2.414 289 A HA 0.420 4.739 4.320 -0.001 0.000 0.306 289 A C -0.674 176.924 177.584 0.025 0.000 1.054 289 A CA -0.516 51.380 52.037 -0.235 0.000 0.724 289 A CB 0.822 19.506 19.000 -0.528 0.000 1.267 289 A HN 0.935 nan 8.150 nan 0.000 0.418 290 D N 0.074 120.505 120.400 0.053 0.000 2.751 290 D HA -0.136 4.503 4.640 -0.001 0.000 0.233 290 D C -0.025 176.334 176.300 0.099 0.000 1.149 290 D CA 1.947 56.013 54.000 0.110 0.000 0.682 290 D CB -0.989 39.948 40.800 0.228 0.000 1.068 290 D HN 0.641 nan 8.370 nan 0.000 0.429 291 S N -1.275 114.466 115.700 0.068 0.000 2.672 291 S HA 0.553 5.022 4.470 -0.001 0.000 0.291 291 S C 0.364 175.001 174.600 0.063 0.000 1.145 291 S CA 0.711 58.952 58.200 0.069 0.000 1.013 291 S CB 1.640 64.867 63.200 0.044 0.000 1.017 291 S HN 0.954 nan 8.310 nan 0.000 0.487 292 A N 2.999 125.886 122.820 0.110 0.000 2.872 292 A HA 0.045 4.364 4.320 -0.001 0.000 0.273 292 A C 1.642 179.287 177.584 0.101 0.000 1.442 292 A CA 1.282 53.402 52.037 0.138 0.000 0.801 292 A CB -2.257 16.800 19.000 0.095 0.000 1.031 292 A HN 2.710 nan 8.150 nan 0.000 0.582 293 G N -2.773 106.076 108.800 0.081 0.000 2.179 293 G HA2 -0.215 3.744 3.960 -0.001 0.000 0.260 293 G HA3 -0.215 3.744 3.960 -0.001 0.000 0.260 293 G C -0.077 174.848 174.900 0.041 0.000 0.977 293 G CA 0.700 45.836 45.100 0.059 0.000 0.641 293 G HN 1.368 nan 8.290 nan 0.000 0.533 294 Q N 1.145 120.964 119.800 0.032 0.000 2.296 294 Q HA 0.366 4.706 4.340 -0.001 0.000 0.262 294 Q C -2.047 173.978 176.000 0.042 0.000 0.981 294 Q CA -1.731 54.085 55.803 0.022 0.000 0.905 294 Q CB 1.014 29.743 28.738 -0.015 0.000 1.186 294 Q HN 0.314 nan 8.270 nan 0.000 0.399 295 P HA 0.222 nan 4.420 nan 0.000 0.269 295 P C -0.139 177.229 177.300 0.114 0.000 1.217 295 P CA 0.086 63.265 63.100 0.132 0.000 0.783 295 P CB 0.710 32.546 31.700 0.226 0.000 0.898 296 G N 0.302 109.158 108.800 0.093 0.000 2.488 296 G HA2 0.374 4.333 3.960 -0.001 0.000 0.301 296 G HA3 0.374 4.333 3.960 -0.001 0.000 0.301 296 G C -2.635 172.142 174.900 -0.206 0.000 1.339 296 G CA -0.773 44.185 45.100 -0.238 0.000 0.803 296 G HN 0.086 nan 8.290 nan 0.000 0.482 297 P HA -0.111 nan 4.420 nan 0.000 0.216 297 P C 1.475 178.861 177.300 0.142 0.000 1.150 297 P CA 1.304 64.364 63.100 -0.068 0.000 0.837 297 P CB 0.187 31.815 31.700 -0.120 0.000 0.786 298 Q N -0.756 119.108 119.800 0.107 0.000 2.291 298 Q HA -0.047 4.292 4.340 -0.001 0.000 0.206 298 Q C 2.338 178.331 176.000 -0.012 0.000 0.976 298 Q CA 1.304 57.141 55.803 0.057 0.000 0.875 298 Q CB -0.894 27.864 28.738 0.034 0.000 0.927 298 Q HN 0.295 nan 8.270 nan 0.000 0.450 299 G N -0.432 108.325 108.800 -0.071 0.000 2.535 299 G HA2 -0.201 3.758 3.960 -0.001 0.000 0.218 299 G HA3 -0.201 3.758 3.960 -0.001 0.000 0.218 299 G C 0.485 175.025 174.900 -0.599 0.000 1.122 299 G CA 0.505 45.414 45.100 -0.318 0.000 0.769 299 G HN 0.354 nan 8.290 nan 0.000 0.549 300 Y N -0.628 119.718 120.300 0.076 0.000 2.660 300 Y HA 0.396 4.945 4.550 -0.002 0.000 0.254 300 Y C 1.725 177.656 175.900 0.053 0.000 1.176 300 Y CA -0.676 57.471 58.100 0.079 0.000 1.195 300 Y CB 0.476 39.012 38.460 0.127 0.000 1.190 300 Y HN 0.159 nan 8.280 nan 0.000 0.535 301 G N 1.047 109.901 108.800 0.090 0.000 2.198 301 G HA2 -0.254 3.705 3.960 -0.001 0.000 0.260 301 G HA3 -0.254 3.705 3.960 -0.001 0.000 0.260 301 G C 0.110 175.048 174.900 0.063 0.000 1.025 301 G CA -0.148 44.985 45.100 0.055 0.000 0.769 301 G HN 0.116 nan 8.290 nan 0.000 0.507 302 R N 0.121 120.678 120.500 0.095 0.000 2.828 302 R HA 0.609 4.949 4.340 -0.001 0.000 0.264 302 R C 0.145 176.469 176.300 0.040 0.000 1.022 302 R CA -0.344 55.797 56.100 0.068 0.000 1.021 302 R CB 0.933 31.300 30.300 0.112 0.000 1.163 302 R HN 0.465 nan 8.270 nan 0.000 0.494 303 D N -1.697 118.697 120.400 -0.010 0.000 2.437 303 D HA 0.139 4.778 4.640 -0.001 0.000 0.259 303 D C 0.737 177.040 176.300 0.004 0.000 1.118 303 D CA -0.332 53.646 54.000 -0.036 0.000 1.017 303 D CB 0.510 41.233 40.800 -0.129 0.000 1.120 303 D HN 0.467 nan 8.370 nan 0.000 0.541 304 H N -0.759 118.176 119.070 -0.225 0.000 2.462 304 H HA -0.001 4.554 4.556 -0.001 0.000 0.292 304 H C 1.755 176.781 175.328 -0.503 0.000 1.049 304 H CA 0.712 56.588 56.048 -0.286 0.000 1.334 304 H CB 0.340 30.081 29.762 -0.035 0.000 1.404 304 H HN 0.559 nan 8.280 nan 0.000 0.544 305 A N 1.278 123.842 122.820 -0.427 0.000 1.898 305 A HA -0.163 4.156 4.320 -0.001 0.000 0.216 305 A C 2.117 179.485 177.584 -0.359 0.000 1.181 305 A CA 1.328 52.953 52.037 -0.687 0.000 0.620 305 A CB -0.226 18.183 19.000 -0.985 0.000 0.819 305 A HN 0.433 nan 8.150 nan 0.000 0.442 306 E N -0.552 119.502 120.200 -0.243 0.000 2.077 306 E HA -0.118 4.231 4.350 -0.001 0.000 0.193 306 E C 2.114 178.675 176.600 -0.064 0.000 0.989 306 E CA 0.845 57.174 56.400 -0.118 0.000 0.800 306 E CB -0.346 29.320 29.700 -0.056 0.000 0.746 306 E HN 0.605 nan 8.360 nan 0.000 0.452 307 G N 1.154 109.885 108.800 -0.116 0.000 2.404 307 G HA2 -0.207 3.752 3.960 -0.001 0.000 0.215 307 G HA3 -0.207 3.752 3.960 -0.001 0.000 0.215 307 G C 1.708 176.595 174.900 -0.021 0.000 1.174 307 G CA 0.771 45.894 45.100 0.038 0.000 0.780 307 G HN 0.339 nan 8.290 nan 0.000 0.537 308 A N 1.377 123.898 122.820 -0.498 0.000 1.902 308 A HA -0.089 4.230 4.320 -0.001 0.000 0.217 308 A C 2.260 179.847 177.584 0.006 0.000 1.181 308 A CA 1.927 53.806 52.037 -0.264 0.000 0.623 308 A CB -0.452 18.287 19.000 -0.436 0.000 0.818 308 A HN 0.340 nan 8.150 nan 0.000 0.443 309 N N -0.543 118.136 118.700 -0.035 0.000 2.244 309 N HA -0.124 4.615 4.740 -0.001 0.000 0.183 309 N C 1.663 177.191 175.510 0.031 0.000 1.016 309 N CA 1.390 54.446 53.050 0.009 0.000 0.866 309 N CB -0.465 38.005 38.487 -0.030 0.000 0.980 309 N HN 0.499 nan 8.380 nan 0.000 0.430 310 M N 0.727 120.348 119.600 0.035 0.000 2.117 310 M HA -0.060 4.419 4.480 -0.001 0.000 0.262 310 M C 1.670 177.994 176.300 0.041 0.000 1.065 310 M CA 1.236 56.566 55.300 0.050 0.000 1.114 310 M CB -0.455 32.181 32.600 0.061 0.000 1.361 310 M HN 0.072 nan 8.290 nan 0.000 0.408 311 L N 0.117 121.351 121.223 0.018 0.000 2.056 311 L HA -0.138 4.201 4.340 -0.001 0.000 0.207 311 L C 2.727 179.661 176.870 0.106 0.000 1.078 311 L CA 1.131 55.993 54.840 0.036 0.000 0.749 311 L CB -1.100 41.021 42.059 0.103 0.000 0.901 311 L HN 0.342 nan 8.230 nan 0.000 0.433 312 A N 0.168 123.041 122.820 0.088 0.000 1.933 312 A HA -0.153 4.166 4.320 -0.001 0.000 0.218 312 A C 2.526 180.142 177.584 0.053 0.000 1.175 312 A CA 1.684 53.756 52.037 0.058 0.000 0.628 312 A CB -0.616 18.418 19.000 0.056 0.000 0.814 312 A HN 0.400 nan 8.150 nan 0.000 0.444 313 A N -0.249 122.609 122.820 0.063 0.000 1.969 313 A HA 0.215 4.535 4.320 -0.001 0.000 0.218 313 A C 2.438 180.074 177.584 0.086 0.000 1.169 313 A CA 1.812 53.885 52.037 0.060 0.000 0.635 313 A CB -0.829 18.206 19.000 0.058 0.000 0.810 313 A HN 1.002 nan 8.150 nan 0.000 0.445 314 A N -0.405 122.498 122.820 0.138 0.000 1.930 314 A HA 0.045 4.364 4.320 -0.001 0.000 0.217 314 A C 2.062 179.773 177.584 0.212 0.000 1.175 314 A CA 1.384 53.543 52.037 0.204 0.000 0.627 314 A CB -0.429 18.757 19.000 0.311 0.000 0.815 314 A HN 0.464 nan 8.150 nan 0.000 0.443 315 L N -1.364 119.938 121.223 0.131 0.000 2.375 315 L HA -0.014 4.325 4.340 -0.001 0.000 0.215 315 L C 2.383 179.298 176.870 0.075 0.000 1.108 315 L CA 1.073 55.980 54.840 0.112 0.000 0.830 315 L CB -0.221 41.821 42.059 -0.029 0.000 0.959 315 L HN 0.303 nan 8.230 nan 0.000 0.457 316 K N 1.315 121.732 120.400 0.028 0.000 2.063 316 K HA -0.133 4.186 4.320 -0.001 0.000 0.208 316 K C -0.658 175.884 176.600 -0.097 0.000 1.048 316 K CA 1.476 57.752 56.287 -0.018 0.000 0.928 316 K CB -1.053 31.441 32.500 -0.011 0.000 0.713 316 K HN 0.112 nan 8.250 nan 0.000 0.442 317 P HA -0.056 nan 4.420 nan 0.000 0.226 317 P C 0.215 177.140 177.300 -0.625 0.000 1.153 317 P CA 1.010 63.853 63.100 -0.429 0.000 0.777 317 P CB 0.076 31.405 31.700 -0.618 0.000 0.794 318 F N -1.929 117.822 119.950 -0.332 0.000 2.695 318 F HA 0.406 4.932 4.527 -0.001 0.000 0.303 318 F C 1.698 177.294 175.800 -0.340 0.000 1.091 318 F CA 0.397 58.065 58.000 -0.553 0.000 1.300 318 F CB -0.420 37.716 39.000 -1.439 0.000 1.071 318 F HN -0.055 nan 8.300 nan 0.000 0.578 319 G N 0.547 109.326 108.800 -0.036 0.000 2.136 319 G HA2 -0.175 3.784 3.960 -0.001 0.000 0.242 319 G HA3 -0.175 3.784 3.960 -0.001 0.000 0.242 319 G C 0.618 175.568 174.900 0.085 0.000 0.989 319 G CA -0.179 44.947 45.100 0.043 0.000 0.682 319 G HN 0.728 nan 8.290 nan 0.000 0.522 320 G N -1.355 107.491 108.800 0.077 0.000 2.476 320 G HA2 0.697 4.656 3.960 -0.001 0.000 0.286 320 G HA3 0.697 4.656 3.960 -0.001 0.000 0.286 320 G C -0.198 174.661 174.900 -0.068 0.000 1.177 320 G CA 0.091 45.225 45.100 0.058 0.000 0.870 320 G HN 0.927 nan 8.290 nan 0.000 0.528 321 V N -0.096 119.706 119.914 -0.186 0.000 2.960 321 V HA 0.518 4.637 4.120 -0.001 0.000 0.315 321 V C -0.314 175.568 176.094 -0.353 0.000 1.087 321 V CA -0.683 61.436 62.300 -0.301 0.000 0.982 321 V CB 2.255 33.802 31.823 -0.461 0.000 1.039 321 V HN 0.516 nan 8.190 nan 0.000 0.437 322 V N 2.859 122.633 119.914 -0.234 0.000 2.384 322 V HA 0.443 4.562 4.120 -0.001 0.000 0.287 322 V C -0.916 175.171 176.094 -0.010 0.000 1.020 322 V CA -0.430 61.830 62.300 -0.067 0.000 0.850 322 V CB 1.186 33.099 31.823 0.149 0.000 0.987 322 V HN 0.607 nan 8.190 nan 0.000 0.436 323 F N 4.276 124.270 119.950 0.072 0.000 2.368 323 F HA 0.298 4.824 4.527 -0.002 0.000 0.362 323 F C 0.124 175.968 175.800 0.074 0.000 1.137 323 F CA -1.203 56.802 58.000 0.008 0.000 1.161 323 F CB 0.535 39.497 39.000 -0.062 0.000 1.265 323 F HN 0.549 nan 8.300 nan 0.000 0.530 324 W N 6.366 127.704 121.300 0.064 0.000 2.316 324 W HA 0.395 5.054 4.660 -0.001 0.000 0.308 324 W C -0.294 176.185 176.519 -0.067 0.000 1.106 324 W CA -0.981 56.364 57.345 0.001 0.000 1.262 324 W CB 0.791 30.227 29.460 -0.040 0.000 1.233 324 W HN 0.475 nan 8.180 nan 0.000 0.447 325 R N 3.831 124.190 120.500 -0.233 0.000 2.442 325 R HA 0.387 4.726 4.340 -0.001 0.000 0.291 325 R C 0.493 176.734 176.300 -0.099 0.000 1.069 325 R CA -0.139 55.869 56.100 -0.153 0.000 1.022 325 R CB 0.949 31.163 30.300 -0.144 0.000 0.976 325 R HN 0.473 nan 8.270 nan 0.000 0.443 335 D N 1.213 121.760 120.400 0.245 0.000 2.469 335 D HA 0.256 4.895 4.640 -0.001 0.000 0.251 335 D C 0.552 177.017 176.300 0.276 0.000 1.173 335 D CA -0.600 53.580 54.000 0.300 0.000 0.882 335 D CB 1.577 42.530 40.800 0.255 0.000 1.129 335 D HN 0.182 nan 8.370 nan 0.000 0.549 336 R N 3.128 123.828 120.500 0.334 0.000 2.139 336 R HA -0.186 4.153 4.340 -0.001 0.000 0.243 336 R C 1.483 177.943 176.300 0.265 0.000 1.145 336 R CA 1.216 57.473 56.100 0.261 0.000 0.976 336 R CB -0.339 30.117 30.300 0.261 0.000 0.866 336 R HN 0.463 nan 8.270 nan 0.000 0.449 337 F N 1.418 121.445 119.950 0.128 0.000 2.154 337 F HA -0.184 4.342 4.527 -0.001 0.000 0.301 337 F C 1.849 177.688 175.800 0.064 0.000 1.087 337 F CA 1.727 59.786 58.000 0.098 0.000 1.274 337 F CB 0.003 39.036 39.000 0.054 0.000 1.009 337 F HN -0.019 nan 8.300 nan 0.000 0.485 338 R N -0.407 120.290 120.500 0.329 0.000 2.276 338 R HA 0.036 4.375 4.340 -0.001 0.000 0.203 338 R C 2.493 178.881 176.300 0.148 0.000 1.017 338 R CA 0.532 56.765 56.100 0.221 0.000 1.010 338 R CB -0.771 29.644 30.300 0.192 0.000 0.900 338 R HN 0.444 nan 8.270 nan 0.000 0.469 339 G N 1.286 110.159 108.800 0.122 0.000 2.459 339 G HA2 -0.307 3.652 3.960 -0.001 0.000 0.217 339 G HA3 -0.307 3.652 3.960 -0.001 0.000 0.217 339 G C 1.545 176.512 174.900 0.112 0.000 1.183 339 G CA 0.863 46.025 45.100 0.103 0.000 0.776 339 G HN 0.375 nan 8.290 nan 0.000 0.552 340 A N -0.208 122.680 122.820 0.114 0.000 1.902 340 A HA -0.053 4.266 4.320 -0.001 0.000 0.217 340 A C 2.249 179.981 177.584 0.248 0.000 1.181 340 A CA 1.800 53.956 52.037 0.198 0.000 0.623 340 A CB -0.728 18.317 19.000 0.075 0.000 0.818 340 A HN 0.496 nan 8.150 nan 0.000 0.443 341 Y N 0.947 121.259 120.300 0.020 0.000 2.145 341 Y HA -0.212 4.338 4.550 -0.002 0.000 0.286 341 Y C 1.845 177.761 175.900 0.026 0.000 1.145 341 Y CA 2.109 60.209 58.100 0.000 0.000 1.148 341 Y CB -0.112 38.302 38.460 -0.077 0.000 0.981 341 Y HN 0.337 nan 8.280 nan 0.000 0.507 342 D N -0.111 120.419 120.400 0.217 0.000 2.178 342 D HA -0.144 4.495 4.640 -0.001 0.000 0.202 342 D C 1.988 178.266 176.300 -0.037 0.000 0.974 342 D CA 1.188 55.245 54.000 0.095 0.000 0.841 342 D CB -0.090 40.775 40.800 0.109 0.000 0.953 342 D HN 0.493 nan 8.370 nan 0.000 0.478 343 E N -0.562 119.605 120.200 -0.056 0.000 2.072 343 E HA -0.061 4.288 4.350 -0.001 0.000 0.190 343 E C 1.763 178.112 176.600 -0.419 0.000 0.982 343 E CA 0.623 56.860 56.400 -0.272 0.000 0.803 343 E CB -0.094 29.381 29.700 -0.375 0.000 0.755 343 E HN 0.362 nan 8.360 nan 0.000 0.453 344 F N -0.300 119.598 119.950 -0.086 0.000 2.582 344 F HA 0.098 4.624 4.527 -0.002 0.000 0.290 344 F C 2.277 178.006 175.800 -0.119 0.000 1.115 344 F CA 0.101 58.070 58.000 -0.052 0.000 1.445 344 F CB -0.056 38.933 39.000 -0.018 0.000 1.126 344 F HN -0.098 nan 8.300 nan 0.000 0.574 345 M N 0.529 120.051 119.600 -0.130 0.000 2.108 345 M HA -0.122 4.357 4.480 -0.001 0.000 0.261 345 M C -0.627 175.581 176.300 -0.153 0.000 1.066 345 M CA 1.795 56.937 55.300 -0.263 0.000 1.107 345 M CB -2.201 30.033 32.600 -0.610 0.000 1.356 345 M HN -0.051 nan 8.290 nan 0.000 0.406 346 P HA -0.038 nan 4.420 nan 0.000 0.225 346 P C 1.258 178.490 177.300 -0.115 0.000 1.148 346 P CA 0.971 64.001 63.100 -0.117 0.000 0.779 346 P CB -0.150 31.476 31.700 -0.124 0.000 0.780 347 L N -1.610 119.559 121.223 -0.089 0.000 2.628 347 L HA 0.178 4.517 4.340 -0.001 0.000 0.229 347 L C 0.658 177.510 176.870 -0.029 0.000 1.137 347 L CA -0.320 54.440 54.840 -0.134 0.000 0.909 347 L CB -0.483 41.471 42.059 -0.175 0.000 1.137 347 L HN -0.107 nan 8.230 nan 0.000 0.470 348 D N 0.846 121.257 120.400 0.018 0.000 2.458 348 D HA 0.241 4.880 4.640 -0.001 0.000 0.243 348 D C 1.313 177.618 176.300 0.008 0.000 1.146 348 D CA 1.474 55.501 54.000 0.045 0.000 0.877 348 D CB 0.973 41.747 40.800 -0.043 0.000 1.176 348 D HN 0.277 nan 8.370 nan 0.000 0.461 349 G N 4.217 113.053 108.800 0.059 0.000 2.199 349 G HA2 -0.287 3.673 3.960 -0.001 0.000 0.254 349 G HA3 -0.287 3.673 3.960 -0.001 0.000 0.254 349 G C 1.170 176.059 174.900 -0.018 0.000 0.982 349 G CA 0.366 45.479 45.100 0.022 0.000 0.632 349 G HN 0.540 nan 8.290 nan 0.000 0.529 350 K N -0.391 119.945 120.400 -0.107 0.000 2.393 350 K HA 0.304 4.623 4.320 -0.001 0.000 0.193 350 K C 0.398 176.809 176.600 -0.314 0.000 1.026 350 K CA 0.015 56.153 56.287 -0.248 0.000 1.064 350 K CB 0.207 32.487 32.500 -0.366 0.000 0.833 350 K HN 0.394 nan 8.250 nan 0.000 0.521 351 F N 1.362 121.283 119.950 -0.047 0.000 2.375 351 F HA 0.309 4.836 4.527 -0.001 0.000 0.333 351 F C 1.075 176.860 175.800 -0.025 0.000 1.104 351 F CA -1.074 56.894 58.000 -0.053 0.000 1.149 351 F CB 0.549 39.522 39.000 -0.046 0.000 1.190 351 F HN -0.125 nan 8.300 nan 0.000 0.533 352 A N 1.698 124.614 122.820 0.161 0.000 2.448 352 A HA 0.089 4.408 4.320 -0.001 0.000 0.239 352 A C 1.086 178.741 177.584 0.119 0.000 1.080 352 A CA -0.390 51.708 52.037 0.102 0.000 0.779 352 A CB 0.096 19.137 19.000 0.069 0.000 1.026 352 A HN 0.806 nan 8.150 nan 0.000 0.499 353 D N 0.395 120.857 120.400 0.105 0.000 2.264 353 D HA -0.123 4.516 4.640 -0.001 0.000 0.208 353 D C 1.019 177.414 176.300 0.159 0.000 0.966 353 D CA 1.495 55.580 54.000 0.142 0.000 0.864 353 D CB -0.027 40.854 40.800 0.134 0.000 0.933 353 D HN 0.711 nan 8.370 nan 0.000 0.499 354 N N 0.364 119.102 118.700 0.062 0.000 2.276 354 N HA -0.024 4.715 4.740 -0.001 0.000 0.212 354 N C -0.330 175.117 175.510 -0.104 0.000 1.127 354 N CA -0.045 52.953 53.050 -0.085 0.000 0.834 354 N CB 0.364 38.816 38.487 -0.058 0.000 1.014 354 N HN -0.119 nan 8.380 nan 0.000 0.491 355 V N 1.554 121.463 119.914 -0.008 0.000 2.435 355 V HA 0.460 4.579 4.120 -0.001 0.000 0.290 355 V C 0.094 176.179 176.094 -0.016 0.000 1.030 355 V CA -0.742 61.563 62.300 0.008 0.000 0.881 355 V CB 1.590 33.459 31.823 0.077 0.000 0.983 355 V HN 0.085 nan 8.190 nan 0.000 0.445 356 I N 5.100 125.675 120.570 0.008 0.000 2.466 356 I HA 0.363 4.533 4.170 -0.001 0.000 0.289 356 I C -0.816 175.289 176.117 -0.021 0.000 1.026 356 I CA -0.816 60.499 61.300 0.025 0.000 1.078 356 I CB 1.925 40.008 38.000 0.138 0.000 1.249 356 I HN 0.364 nan 8.210 nan 0.000 0.429 357 L N 6.194 127.319 121.223 -0.164 0.000 2.313 357 L HA 0.254 4.593 4.340 -0.001 0.000 0.282 357 L C 0.054 176.829 176.870 -0.159 0.000 1.092 357 L CA 0.376 55.075 54.840 -0.236 0.000 0.831 357 L CB 0.830 42.631 42.059 -0.430 0.000 1.159 357 L HN 0.635 nan 8.230 nan 0.000 0.442 358 Q N 5.427 125.152 119.800 -0.126 0.000 2.368 358 Q HA 0.544 4.883 4.340 -0.001 0.000 0.256 358 Q C -1.396 174.511 176.000 -0.155 0.000 0.980 358 Q CA -0.298 55.432 55.803 -0.120 0.000 0.887 358 Q CB 0.746 29.422 28.738 -0.103 0.000 1.221 358 Q HN 0.702 nan 8.270 nan 0.000 0.458 359 I N 3.988 124.470 120.570 -0.147 0.000 2.406 359 I HA 0.349 4.518 4.170 -0.001 0.000 0.290 359 I C -0.132 175.946 176.117 -0.065 0.000 0.999 359 I CA -0.924 60.234 61.300 -0.237 0.000 1.124 359 I CB 1.806 39.452 38.000 -0.590 0.000 1.289 359 I HN 0.487 nan 8.210 nan 0.000 0.441 360 K N 4.518 124.866 120.400 -0.087 0.000 2.336 360 K HA 0.033 4.352 4.320 -0.001 0.000 0.262 360 K C 1.177 177.866 176.600 0.148 0.000 0.992 360 K CA -0.207 56.087 56.287 0.011 0.000 0.927 360 K CB 0.484 32.829 32.500 -0.259 0.000 0.956 360 K HN 0.682 nan 8.250 nan 0.000 0.495 361 N N 0.565 119.429 118.700 0.274 0.000 2.205 361 N HA -0.120 4.619 4.740 -0.001 0.000 0.186 361 N C 0.648 176.353 175.510 0.325 0.000 1.015 361 N CA 1.045 54.309 53.050 0.356 0.000 0.862 361 N CB -0.075 38.699 38.487 0.479 0.000 0.986 361 N HN 0.523 nan 8.380 nan 0.000 0.429 362 G N 0.113 109.011 108.800 0.163 0.000 2.714 362 G HA2 0.454 4.413 3.960 -0.001 0.000 0.292 362 G HA3 0.454 4.413 3.960 -0.001 0.000 0.292 362 G C -2.282 172.532 174.900 -0.142 0.000 1.308 362 G CA -1.177 43.927 45.100 0.006 0.000 0.964 362 G HN -0.076 nan 8.290 nan 0.000 0.484 363 P HA 0.104 nan 4.420 nan 0.000 0.241 363 P C 0.962 178.118 177.300 -0.239 0.000 1.191 363 P CA 0.265 63.137 63.100 -0.379 0.000 0.771 363 P CB 0.581 31.781 31.700 -0.833 0.000 0.929 364 I N 0.232 120.713 120.570 -0.148 0.000 4.518 364 I HA 0.204 4.374 4.170 -0.001 0.000 0.231 364 I C 0.363 176.440 176.117 -0.068 0.000 1.003 364 I CA 1.107 62.405 61.300 -0.003 0.000 1.610 364 I CB -0.910 37.187 38.000 0.161 0.000 1.481 364 I HN -0.061 nan 8.210 nan 0.000 0.462 365 D N -0.563 119.773 120.400 -0.105 0.000 3.198 365 D HA 0.130 4.769 4.640 -0.001 0.000 0.237 365 D C -0.830 175.430 176.300 -0.066 0.000 1.468 365 D CA -0.391 53.495 54.000 -0.190 0.000 0.948 365 D CB -0.359 40.398 40.800 -0.071 0.000 1.479 365 D HN 0.125 nan 8.370 nan 0.000 0.611 366 F N -0.145 119.855 119.950 0.083 0.000 3.100 366 F HA -0.275 4.251 4.527 -0.001 0.000 0.283 366 F C 0.994 176.805 175.800 0.017 0.000 0.900 366 F CA 0.555 58.651 58.000 0.159 0.000 1.010 366 F CB -1.819 37.376 39.000 0.325 0.000 1.029 366 F HN 0.372 nan 8.300 nan 0.000 0.637 367 Q N 0.331 120.147 119.800 0.026 0.000 2.417 367 Q HA 0.144 4.483 4.340 -0.001 0.000 0.241 367 Q C -0.970 175.050 176.000 0.035 0.000 1.008 367 Q CA -1.238 54.491 55.803 -0.124 0.000 0.901 367 Q CB 0.208 28.913 28.738 -0.053 0.000 1.259 367 Q HN 0.003 nan 8.270 nan 0.000 0.489 368 P HA -0.117 nan 4.420 nan 0.000 0.217 368 P C -0.007 177.370 177.300 0.128 0.000 1.148 368 P CA 1.442 64.473 63.100 -0.115 0.000 0.828 368 P CB 0.328 31.736 31.700 -0.487 0.000 0.783 369 R N -0.262 120.310 120.500 0.120 0.000 2.564 369 R HA 0.336 4.676 4.340 -0.001 0.000 0.284 369 R C -1.129 175.335 176.300 0.273 0.000 1.031 369 R CA -0.457 55.747 56.100 0.172 0.000 0.904 369 R CB 1.609 31.988 30.300 0.131 0.000 1.199 369 R HN -0.116 nan 8.270 nan 0.000 0.443 370 E N 4.381 124.658 120.200 0.129 0.000 2.317 370 E HA 0.403 4.752 4.350 -0.001 0.000 0.270 370 E C -2.473 173.986 176.600 -0.235 0.000 0.885 370 E CA -2.247 54.057 56.400 -0.160 0.000 0.760 370 E CB 2.622 32.245 29.700 -0.128 0.000 1.227 370 E HN 0.464 nan 8.360 nan 0.000 0.434 371 P HA 0.019 nan 4.420 nan 0.000 0.272 371 P C -0.357 176.994 177.300 0.086 0.000 1.240 371 P CA -0.279 62.716 63.100 -0.176 0.000 0.791 371 P CB 0.237 31.792 31.700 -0.241 0.000 0.978 372 F N -0.792 119.338 119.950 0.300 0.000 2.553 372 F HA 0.242 4.768 4.527 -0.002 0.000 0.356 372 F C 0.371 176.396 175.800 0.376 0.000 1.142 372 F CA -0.644 57.562 58.000 0.345 0.000 1.322 372 F CB -0.575 38.645 39.000 0.368 0.000 1.126 372 F HN 0.103 nan 8.300 nan 0.000 0.599 373 S N 2.663 118.635 115.700 0.453 0.000 2.515 373 S HA 0.295 4.764 4.470 -0.001 0.000 0.285 373 S C 1.224 175.940 174.600 0.193 0.000 1.265 373 S CA -0.149 58.131 58.200 0.133 0.000 1.079 373 S CB 0.892 64.052 63.200 -0.066 0.000 0.877 373 S HN 0.931 nan 8.310 nan 0.000 0.493 374 A N 4.230 126.947 122.820 -0.171 0.000 2.024 374 A HA -0.076 4.243 4.320 -0.001 0.000 0.220 374 A C 1.914 179.598 177.584 0.166 0.000 1.164 374 A CA 1.129 53.006 52.037 -0.266 0.000 0.643 374 A CB -0.544 17.897 19.000 -0.932 0.000 0.806 374 A HN 0.829 nan 8.150 nan 0.000 0.451 375 L N -1.846 119.435 121.223 0.097 0.000 2.081 375 L HA -0.225 4.114 4.340 -0.001 0.000 0.212 375 L C 2.330 179.221 176.870 0.036 0.000 1.080 375 L CA 1.278 56.126 54.840 0.013 0.000 0.754 375 L CB -0.574 41.346 42.059 -0.231 0.000 0.893 375 L HN 0.398 nan 8.230 nan 0.000 0.433 376 F N -0.131 119.942 119.950 0.205 0.000 2.202 376 F HA -0.201 4.325 4.527 -0.002 0.000 0.301 376 F C 2.420 178.409 175.800 0.316 0.000 1.082 376 F CA 1.184 59.309 58.000 0.209 0.000 1.313 376 F CB -0.699 38.414 39.000 0.187 0.000 1.024 376 F HN 0.026 nan 8.300 nan 0.000 0.495 377 A N -0.904 122.253 122.820 0.562 0.000 2.238 377 A HA 0.395 4.714 4.320 -0.001 0.000 0.210 377 A C 2.286 180.127 177.584 0.429 0.000 1.179 377 A CA 0.903 53.264 52.037 0.541 0.000 0.827 377 A CB -0.895 18.434 19.000 0.548 0.000 0.856 377 A HN 0.360 nan 8.150 nan 0.000 0.488 378 G N -1.394 107.562 108.800 0.259 0.000 2.724 378 G HA2 0.262 4.221 3.960 -0.001 0.000 0.205 378 G HA3 0.262 4.221 3.960 -0.001 0.000 0.205 378 G C 0.602 175.401 174.900 -0.169 0.000 1.112 378 G CA -0.176 44.989 45.100 0.108 0.000 0.793 378 G HN 0.264 nan 8.290 nan 0.000 0.526 379 M N 2.704 122.167 119.600 -0.228 0.000 2.108 379 M HA 0.249 4.728 4.480 -0.001 0.000 0.347 379 M C 0.889 176.801 176.300 -0.647 0.000 1.326 379 M CA -0.103 55.016 55.300 -0.303 0.000 1.126 379 M CB 0.975 33.475 32.600 -0.166 0.000 1.606 379 M HN 0.215 nan 8.290 nan 0.000 0.462 380 S N 2.805 118.118 115.700 -0.645 0.000 2.539 380 S HA 0.249 4.718 4.470 -0.001 0.000 0.221 380 S C 0.969 175.411 174.600 -0.264 0.000 0.987 380 S CA -0.392 57.306 58.200 -0.837 0.000 0.929 380 S CB 0.430 63.261 63.200 -0.614 0.000 0.832 380 S HN 0.776 nan 8.310 nan 0.000 0.492 381 R N 0.783 121.195 120.500 -0.147 0.000 2.616 381 R HA 0.312 4.651 4.340 -0.001 0.000 0.427 381 R C -0.929 175.388 176.300 0.027 0.000 1.030 381 R CA -0.048 56.036 56.100 -0.026 0.000 1.133 381 R CB 1.196 31.486 30.300 -0.017 0.000 1.444 381 R HN 0.206 nan 8.270 nan 0.000 0.578 382 T N 0.622 115.184 114.554 0.014 0.000 2.916 382 T HA 0.285 4.634 4.350 -0.001 0.000 0.298 382 T C -0.542 174.179 174.700 0.035 0.000 1.031 382 T CA -0.871 61.259 62.100 0.051 0.000 0.993 382 T CB 1.837 70.734 68.868 0.048 0.000 1.045 382 T HN 0.020 nan 8.240 nan 0.000 0.454 383 N N 2.934 121.667 118.700 0.055 0.000 2.492 383 N HA 0.316 5.055 4.740 -0.001 0.000 0.262 383 N C -0.446 175.079 175.510 0.026 0.000 1.202 383 N CA 0.349 53.447 53.050 0.081 0.000 0.926 383 N CB 0.445 39.016 38.487 0.139 0.000 1.078 383 N HN 0.565 nan 8.380 nan 0.000 0.454 384 M N 1.594 121.234 119.600 0.068 0.000 2.619 384 M HA 0.550 5.029 4.480 -0.001 0.000 0.297 384 M C -0.311 176.037 176.300 0.080 0.000 1.229 384 M CA -0.731 54.605 55.300 0.060 0.000 0.860 384 M CB 2.326 35.011 32.600 0.141 0.000 1.741 384 M HN 0.443 nan 8.290 nan 0.000 0.462 385 M N 1.080 120.716 119.600 0.060 0.000 2.520 385 M HA 0.667 5.147 4.480 -0.001 0.000 0.283 385 M C -1.575 174.750 176.300 0.041 0.000 1.237 385 M CA -0.955 54.346 55.300 0.002 0.000 0.885 385 M CB 2.446 34.981 32.600 -0.108 0.000 1.727 385 M HN 0.696 nan 8.290 nan 0.000 0.468 386 M N 2.143 121.702 119.600 -0.067 0.000 2.274 386 M HA 0.418 4.897 4.480 -0.001 0.000 0.344 386 M C -0.908 175.273 176.300 -0.199 0.000 1.161 386 M CA 0.588 55.805 55.300 -0.139 0.000 1.126 386 M CB 1.120 33.416 32.600 -0.507 0.000 1.522 386 M HN 0.803 nan 8.290 nan 0.000 0.461 387 E N 3.300 123.416 120.200 -0.140 0.000 2.185 387 E HA 0.398 4.748 4.350 -0.001 0.000 0.261 387 E C -1.863 174.777 176.600 0.067 0.000 0.879 387 E CA -0.423 55.954 56.400 -0.037 0.000 0.756 387 E CB 0.745 30.514 29.700 0.115 0.000 1.152 387 E HN 0.603 nan 8.360 nan 0.000 0.416 388 F N 1.676 121.614 119.950 -0.019 0.000 2.483 388 F HA 0.355 4.881 4.527 -0.002 0.000 0.329 388 F C 0.353 175.836 175.800 -0.527 0.000 1.064 388 F CA -0.691 57.214 58.000 -0.158 0.000 0.986 388 F CB 1.804 40.527 39.000 -0.462 0.000 1.218 388 F HN 0.395 nan 8.300 nan 0.000 0.484 389 Q N 1.454 120.967 119.800 -0.479 0.000 2.307 389 Q HA 0.459 4.799 4.340 -0.001 0.000 0.262 389 Q C -0.315 175.495 176.000 -0.317 0.000 0.961 389 Q CA -0.346 54.977 55.803 -0.800 0.000 0.882 389 Q CB 1.375 29.245 28.738 -1.446 0.000 1.264 389 Q HN 0.675 nan 8.270 nan 0.000 0.446 390 I N 1.347 121.694 120.570 -0.371 0.000 2.685 390 I HA -0.004 4.165 4.170 -0.001 0.000 0.251 390 I C 1.174 177.181 176.117 -0.183 0.000 1.102 390 I CA 0.461 61.640 61.300 -0.202 0.000 1.442 390 I CB 0.009 37.845 38.000 -0.273 0.000 1.194 390 I HN 0.559 nan 8.210 nan 0.000 0.448 391 T N 1.955 116.352 114.554 -0.262 0.000 2.946 391 T HA -0.068 4.282 4.350 -0.001 0.000 0.312 391 T C 0.407 175.113 174.700 0.009 0.000 1.066 391 T CA 0.237 62.269 62.100 -0.114 0.000 1.138 391 T CB 0.165 68.886 68.868 -0.245 0.000 1.014 391 T HN 0.248 nan 8.240 nan 0.000 0.544 392 Q N 3.363 123.258 119.800 0.159 0.000 3.122 392 Q HA 0.122 4.462 4.340 -0.001 0.000 0.360 392 Q C 1.385 177.440 176.000 0.091 0.000 1.300 392 Q CA -0.225 55.654 55.803 0.127 0.000 0.982 392 Q CB 0.300 29.105 28.738 0.111 0.000 1.534 392 Q HN 0.831 nan 8.270 nan 0.000 0.474 393 E N 0.193 120.455 120.200 0.103 0.000 2.097 393 E HA -0.227 4.122 4.350 -0.001 0.000 0.196 393 E C 0.260 176.685 176.600 -0.293 0.000 1.000 393 E CA 1.470 57.832 56.400 -0.063 0.000 0.804 393 E CB 0.246 29.789 29.700 -0.261 0.000 0.740 393 E HN 0.541 nan 8.360 nan 0.000 0.454 394 Y N -2.248 118.048 120.300 -0.007 0.000 2.481 394 Y HA 0.225 4.774 4.550 -0.001 0.000 0.247 394 Y C 0.245 175.954 175.900 -0.319 0.000 1.151 394 Y CA -0.219 57.681 58.100 -0.333 0.000 1.238 394 Y CB 0.652 38.833 38.460 -0.464 0.000 1.179 394 Y HN 0.002 nan 8.280 nan 0.000 0.524 395 F N -0.501 119.439 119.950 -0.017 0.000 2.764 395 F HA 0.503 5.029 4.527 -0.002 0.000 0.310 395 F C 1.199 176.850 175.800 -0.249 0.000 1.124 395 F CA -0.073 57.848 58.000 -0.131 0.000 1.252 395 F CB 1.045 39.976 39.000 -0.114 0.000 1.010 395 F HN -0.003 nan 8.300 nan 0.000 0.518 396 G N -0.248 108.442 108.800 -0.184 0.000 2.173 396 G HA2 -0.233 3.726 3.960 -0.001 0.000 0.174 396 G HA3 -0.233 3.726 3.960 -0.001 0.000 0.174 396 G C 0.342 175.276 174.900 0.058 0.000 1.025 396 G CA -0.393 44.398 45.100 -0.515 0.000 0.706 396 G HN 0.069 nan 8.290 nan 0.000 0.499 397 F N -1.778 117.981 119.950 -0.319 0.000 2.184 397 F HA -0.301 4.224 4.527 -0.002 0.000 0.318 397 F C 2.136 177.870 175.800 -0.109 0.000 0.994 397 F CA 1.446 59.029 58.000 -0.694 0.000 0.913 397 F CB -1.844 36.822 39.000 -0.556 0.000 4.133 397 F HN 1.208 nan 8.300 nan 0.000 0.138 398 A N -0.512 122.510 122.820 0.337 0.000 2.423 398 A HA 0.454 4.773 4.320 -0.001 0.000 0.246 398 A C 1.194 179.051 177.584 0.454 0.000 1.278 398 A CA 1.035 53.306 52.037 0.391 0.000 0.903 398 A CB -0.727 18.488 19.000 0.358 0.000 0.997 398 A HN 0.903 nan 8.150 nan 0.000 0.510 399 T N -3.850 110.997 114.554 0.488 0.000 2.990 399 T HA 0.225 4.574 4.350 -0.001 0.000 0.250 399 T C 0.504 175.513 174.700 0.515 0.000 1.041 399 T CA 0.084 62.473 62.100 0.482 0.000 1.010 399 T CB -0.284 68.854 68.868 0.451 0.000 1.003 399 T HN 0.537 nan 8.240 nan 0.000 0.499 400 H N 0.556 119.783 119.070 0.262 0.000 2.463 400 H HA 0.488 5.043 4.556 -0.002 0.000 0.332 400 H C -0.863 174.381 175.328 -0.139 0.000 1.127 400 H CA -1.005 55.117 56.048 0.124 0.000 1.238 400 H CB 2.284 32.120 29.762 0.123 0.000 1.478 400 H HN 0.104 nan 8.280 nan 0.000 0.499 401 L N 2.603 123.770 121.223 -0.093 0.000 2.278 401 L HA 0.405 4.744 4.340 -0.001 0.000 0.287 401 L C -0.482 176.277 176.870 -0.185 0.000 1.072 401 L CA -0.283 54.326 54.840 -0.385 0.000 0.819 401 L CB 0.099 41.944 42.059 -0.355 0.000 1.176 401 L HN 0.750 nan 8.230 nan 0.000 0.435 402 A N 4.818 127.518 122.820 -0.201 0.000 3.158 402 A HA 0.157 4.476 4.320 -0.001 0.000 0.302 402 A C -1.142 176.291 177.584 -0.252 0.000 1.162 402 A CA -0.483 51.435 52.037 -0.198 0.000 0.824 402 A CB 0.013 18.906 19.000 -0.179 0.000 1.322 402 A HN 0.611 nan 8.150 nan 0.000 0.510 403 Y N 1.933 122.051 120.300 -0.303 0.000 2.729 403 Y HA 0.107 4.656 4.550 -0.002 0.000 0.331 403 Y C 0.909 176.518 175.900 -0.486 0.000 1.208 403 Y CA 0.374 58.281 58.100 -0.321 0.000 1.521 403 Y CB 0.693 39.025 38.460 -0.215 0.000 1.233 403 Y HN 0.639 nan 8.280 nan 0.000 0.539 404 Q N 4.567 123.843 119.800 -0.874 0.000 2.360 404 Q HA 0.084 4.423 4.340 -0.001 0.000 0.202 404 Q C 2.101 177.064 176.000 -1.729 0.000 0.915 404 Q CA 0.669 55.692 55.803 -1.300 0.000 0.943 404 Q CB 0.086 28.054 28.738 -1.284 0.000 1.064 404 Q HN 1.101 nan 8.270 nan 0.000 0.511 405 G N 2.635 110.334 108.800 -1.836 0.000 2.513 405 G HA2 -0.249 3.710 3.960 -0.001 0.000 0.219 405 G HA3 -0.249 3.710 3.960 -0.001 0.000 0.219 405 G C -1.013 173.395 174.900 -0.819 0.000 1.160 405 G CA 0.628 44.956 45.100 -1.287 0.000 0.767 405 G HN 0.361 nan 8.290 nan 0.000 0.571 406 P HA 0.004 nan 4.420 nan 0.000 0.219 406 P C 2.025 179.109 177.300 -0.361 0.000 1.150 406 P CA 0.392 63.254 63.100 -0.397 0.000 0.814 406 P CB -0.060 31.463 31.700 -0.295 0.000 0.787 407 L N -1.850 119.051 121.223 -0.536 0.000 2.017 407 L HA -0.166 4.174 4.340 -0.001 0.000 0.208 407 L C 2.039 178.753 176.870 -0.260 0.000 1.073 407 L CA 1.759 56.374 54.840 -0.374 0.000 0.745 407 L CB -0.613 41.163 42.059 -0.471 0.000 0.894 407 L HN -0.146 nan 8.230 nan 0.000 0.432 408 F N 0.418 120.064 119.950 -0.507 0.000 2.102 408 F HA -0.217 4.309 4.527 -0.002 0.000 0.298 408 F C 2.619 178.258 175.800 -0.269 0.000 1.105 408 F CA 1.544 59.115 58.000 -0.715 0.000 1.239 408 F CB -1.236 37.251 39.000 -0.856 0.000 0.991 408 F HN 0.265 nan 8.300 nan 0.000 0.474 409 E N 0.480 120.652 120.200 -0.046 0.000 2.058 409 E HA -0.281 4.068 4.350 -0.001 0.000 0.194 409 E C 2.248 178.858 176.600 0.017 0.000 0.997 409 E CA 1.497 57.892 56.400 -0.008 0.000 0.801 409 E CB -0.238 29.436 29.700 -0.044 0.000 0.746 409 E HN 0.548 nan 8.360 nan 0.000 0.450 410 E N -0.032 120.165 120.200 -0.005 0.000 2.070 410 E HA -0.214 4.135 4.350 -0.001 0.000 0.197 410 E C 2.144 178.796 176.600 0.087 0.000 1.004 410 E CA 1.535 57.956 56.400 0.033 0.000 0.805 410 E CB -0.118 29.593 29.700 0.019 0.000 0.744 410 E HN 0.109 nan 8.360 nan 0.000 0.451 411 S N 0.281 116.064 115.700 0.138 0.000 2.351 411 S HA -0.146 4.323 4.470 -0.001 0.000 0.220 411 S C 1.944 176.612 174.600 0.114 0.000 1.035 411 S CA 1.353 59.678 58.200 0.209 0.000 1.031 411 S CB -0.284 63.169 63.200 0.423 0.000 0.928 411 S HN 0.283 nan 8.310 nan 0.000 0.433 412 L N 0.753 122.055 121.223 0.131 0.000 2.131 412 L HA -0.065 4.275 4.340 -0.001 0.000 0.210 412 L C 1.971 178.831 176.870 -0.016 0.000 1.092 412 L CA 1.169 56.032 54.840 0.037 0.000 0.759 412 L CB -0.327 41.797 42.059 0.108 0.000 0.903 412 L HN 0.202 nan 8.230 nan 0.000 0.435 413 K N -0.902 119.506 120.400 0.013 0.000 2.404 413 K HA 0.098 4.417 4.320 -0.001 0.000 0.194 413 K C 0.301 176.882 176.600 -0.031 0.000 1.023 413 K CA -0.056 56.227 56.287 -0.006 0.000 1.094 413 K CB 0.158 32.666 32.500 0.014 0.000 0.841 413 K HN 0.125 nan 8.250 nan 0.000 0.523 414 T N 2.293 116.826 114.554 -0.036 0.000 2.817 414 T HA -0.015 4.334 4.350 -0.001 0.000 0.295 414 T C -0.038 174.557 174.700 -0.174 0.000 0.958 414 T CA 0.136 62.209 62.100 -0.044 0.000 1.157 414 T CB 0.648 69.522 68.868 0.009 0.000 0.898 414 T HN 0.111 nan 8.240 nan 0.000 0.536 415 E N 2.439 122.549 120.200 -0.150 0.000 2.257 415 E HA 0.139 4.488 4.350 -0.001 0.000 0.278 415 E C 1.231 177.632 176.600 -0.330 0.000 1.049 415 E CA -0.147 56.084 56.400 -0.282 0.000 0.876 415 E CB 0.592 30.103 29.700 -0.316 0.000 1.035 415 E HN 0.670 nan 8.360 nan 0.000 0.419 416 T N 1.244 115.549 114.554 -0.415 0.000 3.037 416 T HA 0.003 4.352 4.350 -0.001 0.000 0.251 416 T C 0.341 175.047 174.700 0.010 0.000 1.079 416 T CA 0.403 62.312 62.100 -0.318 0.000 1.067 416 T CB -0.287 68.320 68.868 -0.435 0.000 0.948 416 T HN 0.699 nan 8.240 nan 0.000 0.496 417 H N 0.106 119.130 119.070 -0.078 0.000 2.861 417 H HA -0.208 4.347 4.556 -0.001 0.000 0.289 417 H C 1.666 176.996 175.328 0.004 0.000 1.176 417 H CA 0.534 56.559 56.048 -0.039 0.000 1.146 417 H CB -1.784 27.956 29.762 -0.038 0.000 1.330 417 H HN 0.656 nan 8.280 nan 0.000 0.379 418 A N 0.828 123.694 122.820 0.076 0.000 1.908 418 A HA -0.101 4.218 4.320 -0.001 0.000 0.218 418 A C 1.775 179.416 177.584 0.095 0.000 1.181 418 A CA 1.820 53.940 52.037 0.139 0.000 0.627 418 A CB 0.038 19.120 19.000 0.138 0.000 0.818 418 A HN 0.382 nan 8.150 nan 0.000 0.445 419 R N -1.670 118.820 120.500 -0.017 0.000 2.754 419 R HA 0.442 4.781 4.340 -0.001 0.000 0.255 419 R C 0.012 176.289 176.300 -0.038 0.000 1.723 419 R CA 0.447 56.533 56.100 -0.023 0.000 1.596 419 R CB -0.163 30.083 30.300 -0.091 0.000 1.424 419 R HN 1.138 nan 8.270 nan 0.000 0.662 420 G N 1.485 110.291 108.800 0.010 0.000 2.829 420 G HA2 -0.291 3.669 3.960 -0.001 0.000 0.628 420 G HA3 -0.291 3.669 3.960 -0.001 0.000 0.628 420 G C -0.577 174.308 174.900 -0.025 0.000 1.412 420 G CA -0.194 44.912 45.100 0.010 0.000 0.864 420 G HN 0.597 nan 8.290 nan 0.000 0.544 421 E N 0.299 120.489 120.200 -0.017 0.000 2.415 421 E HA 0.402 4.751 4.350 -0.001 0.000 0.262 421 E C 1.484 178.017 176.600 -0.112 0.000 1.038 421 E CA 0.970 57.319 56.400 -0.084 0.000 0.921 421 E CB -0.071 29.610 29.700 -0.032 0.000 0.950 421 E HN 2.452 nan 8.360 nan 0.000 0.438 422 G N 2.701 111.409 108.800 -0.154 0.000 2.157 422 G HA2 -0.250 3.709 3.960 -0.001 0.000 0.248 422 G HA3 -0.250 3.709 3.960 -0.001 0.000 0.248 422 G C 0.251 175.049 174.900 -0.170 0.000 0.979 422 G CA 0.288 45.307 45.100 -0.135 0.000 0.650 422 G HN 0.455 nan 8.290 nan 0.000 0.529 423 S N 2.079 117.649 115.700 -0.215 0.000 3.697 423 S HA 0.422 4.891 4.470 -0.001 0.000 0.207 423 S C 1.047 175.484 174.600 -0.273 0.000 1.459 423 S CA 0.466 58.520 58.200 -0.243 0.000 1.122 423 S CB -0.076 62.990 63.200 -0.224 0.000 1.311 423 S HN 1.056 nan 8.310 nan 0.000 0.487 424 T N -0.610 113.798 114.554 -0.244 0.000 2.860 424 T HA 0.292 4.642 4.350 -0.001 0.000 0.299 424 T C 1.601 176.121 174.700 -0.299 0.000 1.045 424 T CA -0.777 61.173 62.100 -0.250 0.000 1.071 424 T CB 0.447 69.213 68.868 -0.170 0.000 0.985 424 T HN 0.084 nan 8.240 nan 0.000 0.537 425 I N 1.926 122.297 120.570 -0.330 0.000 2.194 425 I HA -0.122 4.047 4.170 -0.001 0.000 0.246 425 I C 2.754 178.611 176.117 -0.433 0.000 1.093 425 I CA 2.037 63.093 61.300 -0.405 0.000 1.355 425 I CB -1.962 35.800 38.000 -0.396 0.000 1.046 425 I HN 0.985 nan 8.210 nan 0.000 0.413 426 G N 0.966 109.518 108.800 -0.412 0.000 2.418 426 G HA2 -0.264 3.695 3.960 -0.001 0.000 0.217 426 G HA3 -0.264 3.695 3.960 -0.001 0.000 0.217 426 G C 1.479 175.846 174.900 -0.889 0.000 1.158 426 G CA 0.601 45.237 45.100 -0.773 0.000 0.771 426 G HN 0.334 nan 8.290 nan 0.000 0.545 427 N N 0.525 118.960 118.700 -0.441 0.000 2.244 427 N HA -0.004 4.735 4.740 -0.001 0.000 0.183 427 N C 2.203 177.555 175.510 -0.263 0.000 1.016 427 N CA 0.538 53.425 53.050 -0.270 0.000 0.866 427 N CB -0.174 38.214 38.487 -0.165 0.000 0.980 427 N HN 0.369 nan 8.380 nan 0.000 0.430 428 I N 0.790 121.191 120.570 -0.282 0.000 2.179 428 I HA -0.232 3.937 4.170 -0.001 0.000 0.242 428 I C 2.031 178.061 176.117 -0.145 0.000 1.088 428 I CA 0.807 61.986 61.300 -0.201 0.000 1.357 428 I CB -0.231 37.687 38.000 -0.137 0.000 1.051 428 I HN 0.058 nan 8.210 nan 0.000 0.409 429 L N 0.342 121.413 121.223 -0.253 0.000 2.042 429 L HA -0.263 4.076 4.340 -0.001 0.000 0.210 429 L C 2.557 179.338 176.870 -0.149 0.000 1.076 429 L CA 1.624 56.339 54.840 -0.209 0.000 0.749 429 L CB -0.665 41.204 42.059 -0.316 0.000 0.893 429 L HN 0.334 nan 8.230 nan 0.000 0.432 430 E N -0.134 119.944 120.200 -0.203 0.000 2.265 430 E HA -0.176 4.173 4.350 -0.001 0.000 0.196 430 E C 1.470 178.037 176.600 -0.056 0.000 0.996 430 E CA 0.824 57.166 56.400 -0.097 0.000 0.832 430 E CB 0.043 29.724 29.700 -0.031 0.000 0.756 430 E HN 0.555 nan 8.360 nan 0.000 0.491 431 G N 0.532 109.301 108.800 -0.053 0.000 2.179 431 G HA2 -0.279 3.680 3.960 -0.001 0.000 0.220 431 G HA3 -0.279 3.680 3.960 -0.001 0.000 0.220 431 G C 0.869 175.753 174.900 -0.026 0.000 0.990 431 G CA 0.366 45.461 45.100 -0.008 0.000 0.646 431 G HN 0.256 nan 8.290 nan 0.000 0.517 432 K N 0.054 120.414 120.400 -0.068 0.000 2.217 432 K HA 0.200 4.519 4.320 -0.001 0.000 0.202 432 K C 2.398 178.925 176.600 -0.121 0.000 1.051 432 K CA 1.337 57.578 56.287 -0.077 0.000 0.952 432 K CB 0.045 32.497 32.500 -0.080 0.000 0.736 432 K HN 0.354 nan 8.250 nan 0.000 0.453 433 V N 0.271 120.057 119.914 -0.213 0.000 2.302 433 V HA -0.146 3.974 4.120 -0.001 0.000 0.243 433 V C 1.541 177.393 176.094 -0.403 0.000 1.036 433 V CA 1.605 63.653 62.300 -0.420 0.000 1.020 433 V CB -0.298 31.114 31.823 -0.685 0.000 0.657 433 V HN 0.132 nan 8.190 nan 0.000 0.453 434 F N -0.357 119.594 119.950 0.001 0.000 2.695 434 F HA 0.375 4.901 4.527 -0.002 0.000 0.303 434 F C 0.699 176.506 175.800 0.012 0.000 1.091 434 F CA -0.654 57.355 58.000 0.014 0.000 1.300 434 F CB 0.043 39.059 39.000 0.027 0.000 1.071 434 F HN -0.024 nan 8.300 nan 0.000 0.578 435 K N 1.386 121.869 120.400 0.139 0.000 3.549 435 K HA -0.131 4.188 4.320 -0.001 0.000 0.275 435 K C -0.090 176.564 176.600 0.090 0.000 1.060 435 K CA 0.796 57.133 56.287 0.083 0.000 0.812 435 K CB -2.613 29.929 32.500 0.070 0.000 1.374 435 K HN 0.479 nan 8.250 nan 0.000 0.455 436 T N -3.412 111.196 114.554 0.090 0.000 2.927 436 T HA 0.660 5.009 4.350 -0.001 0.000 0.286 436 T C 1.234 175.963 174.700 0.048 0.000 1.040 436 T CA -1.010 61.141 62.100 0.086 0.000 1.010 436 T CB 2.490 71.429 68.868 0.118 0.000 1.177 436 T HN 0.181 nan 8.240 nan 0.000 0.546 437 R N -0.815 119.717 120.500 0.053 0.000 2.064 437 R HA 0.190 4.529 4.340 -0.001 0.000 0.221 437 R C 0.558 176.769 176.300 -0.148 0.000 1.136 437 R CA 0.747 56.823 56.100 -0.040 0.000 0.980 437 R CB 0.017 30.322 30.300 0.008 0.000 0.876 437 R HN 0.633 nan 8.270 nan 0.000 0.437 438 H N -0.339 118.801 119.070 0.116 0.000 2.459 438 H HA 0.286 4.841 4.556 -0.001 0.000 0.332 438 H C -0.406 175.019 175.328 0.162 0.000 1.094 438 H CA -0.005 56.153 56.048 0.183 0.000 1.224 438 H CB 1.751 31.648 29.762 0.224 0.000 1.449 438 H HN 0.226 nan 8.280 nan 0.000 0.484 439 T N 0.476 115.197 114.554 0.278 0.000 2.906 439 T HA 0.775 5.124 4.350 -0.001 0.000 0.295 439 T C 0.202 175.010 174.700 0.180 0.000 1.075 439 T CA -0.746 61.450 62.100 0.159 0.000 1.005 439 T CB 2.684 71.579 68.868 0.045 0.000 1.136 439 T HN 0.760 nan 8.240 nan 0.000 0.498 440 G N 0.253 109.089 108.800 0.059 0.000 2.349 440 G HA2 0.532 4.491 3.960 -0.001 0.000 0.294 440 G HA3 0.532 4.491 3.960 -0.001 0.000 0.294 440 G C -2.043 172.804 174.900 -0.088 0.000 1.380 440 G CA -0.827 44.280 45.100 0.013 0.000 0.811 440 G HN 1.005 nan 8.290 nan 0.000 0.519 441 M N 0.160 119.696 119.600 -0.106 0.000 2.371 441 M HA 0.698 5.177 4.480 -0.001 0.000 0.287 441 M C -1.325 174.986 176.300 0.019 0.000 1.149 441 M CA -0.754 54.488 55.300 -0.096 0.000 0.929 441 M CB 2.075 34.599 32.600 -0.127 0.000 1.683 441 M HN 1.330 nan 8.290 nan 0.000 0.470 442 A N 2.398 125.224 122.820 0.010 0.000 2.350 442 A HA 0.913 5.232 4.320 -0.001 0.000 0.324 442 A C -0.438 177.044 177.584 -0.170 0.000 1.118 442 A CA -0.499 51.517 52.037 -0.035 0.000 0.783 442 A CB 1.529 20.401 19.000 -0.213 0.000 1.236 442 A HN 0.932 nan 8.150 nan 0.000 0.457 443 G N 0.475 108.878 108.800 -0.663 0.000 2.626 443 G HA2 0.513 4.472 3.960 -0.001 0.000 0.304 443 G HA3 0.513 4.472 3.960 -0.001 0.000 0.304 443 G C -0.866 173.482 174.900 -0.919 0.000 1.385 443 G CA -0.352 43.915 45.100 -1.389 0.000 0.957 443 G HN 0.767 nan 8.290 nan 0.000 0.504 444 V N 4.706 124.152 119.914 -0.779 0.000 2.352 444 V HA 0.089 4.208 4.120 -0.001 0.000 0.253 444 V C 1.412 176.998 176.094 -0.847 0.000 1.083 444 V CA -0.011 61.774 62.300 -0.858 0.000 0.993 444 V CB -0.241 30.947 31.823 -1.057 0.000 1.111 444 V HN 0.776 nan 8.190 nan 0.000 0.490 445 I N 1.015 121.067 120.570 -0.864 0.000 3.081 445 I HA 0.251 4.420 4.170 -0.001 0.000 0.274 445 I C 0.913 176.646 176.117 -0.639 0.000 1.178 445 I CA -0.011 60.794 61.300 -0.825 0.000 1.460 445 I CB -0.221 37.051 38.000 -1.214 0.000 1.137 445 I HN 0.521 nan 8.210 nan 0.000 0.443 446 N N 1.714 120.030 118.700 -0.640 0.000 2.707 446 N HA -0.125 4.614 4.740 -0.001 0.000 0.253 446 N C -2.136 173.247 175.510 -0.212 0.000 0.998 446 N CA 0.960 53.777 53.050 -0.388 0.000 0.751 446 N CB -1.504 36.729 38.487 -0.424 0.000 0.920 446 N HN 0.508 nan 8.380 nan 0.000 0.539 447 P HA 0.406 nan 4.420 nan 0.000 0.275 447 P C 0.664 177.998 177.300 0.057 0.000 1.266 447 P CA 0.037 63.180 63.100 0.072 0.000 0.793 447 P CB 1.082 32.942 31.700 0.266 0.000 1.074 448 G N -1.458 107.391 108.800 0.081 0.000 2.815 448 G HA2 0.396 4.355 3.960 -0.001 0.000 0.305 448 G HA3 0.396 4.355 3.960 -0.001 0.000 0.305 448 G C 0.466 175.311 174.900 -0.091 0.000 1.277 448 G CA 0.062 45.137 45.100 -0.042 0.000 0.795 448 G HN 0.446 nan 8.290 nan 0.000 0.528 449 T N -1.116 113.360 114.554 -0.131 0.000 3.160 449 T HA 0.120 4.469 4.350 -0.001 0.000 0.257 449 T C 0.313 174.923 174.700 -0.150 0.000 1.147 449 T CA 0.497 62.488 62.100 -0.181 0.000 1.064 449 T CB -0.234 68.550 68.868 -0.140 0.000 0.949 449 T HN 0.239 nan 8.240 nan 0.000 0.526 450 D N 1.907 122.263 120.400 -0.073 0.000 2.515 450 D HA 0.090 4.729 4.640 -0.001 0.000 0.232 450 D C 1.277 177.526 176.300 -0.086 0.000 1.157 450 D CA -0.096 53.885 54.000 -0.032 0.000 0.871 450 D CB 0.571 41.400 40.800 0.048 0.000 1.200 450 D HN 0.048 nan 8.370 nan 0.000 0.466 451 R N 2.151 122.627 120.500 -0.039 0.000 2.105 451 R HA -0.155 4.184 4.340 -0.001 0.000 0.239 451 R C 0.977 177.303 176.300 0.042 0.000 1.135 451 R CA 1.516 57.603 56.100 -0.020 0.000 0.967 451 R CB -0.327 29.981 30.300 0.014 0.000 0.861 451 R HN 0.513 nan 8.270 nan 0.000 0.442 452 N N -1.301 117.463 118.700 0.106 0.000 2.276 452 N HA -0.037 4.702 4.740 -0.001 0.000 0.212 452 N C -0.189 175.570 175.510 0.415 0.000 1.127 452 N CA 0.474 53.669 53.050 0.242 0.000 0.834 452 N CB -0.405 38.204 38.487 0.203 0.000 1.014 452 N HN 0.383 nan 8.380 nan 0.000 0.491 453 W N -0.906 120.455 121.300 0.103 0.000 1.135 453 W HA -0.336 4.325 4.660 0.002 0.000 0.224 453 W C 1.401 178.036 176.519 0.194 0.000 0.934 453 W CA 2.096 59.529 57.345 0.145 0.000 0.370 453 W CB -1.932 27.626 29.460 0.164 0.000 1.931 453 W HN 0.464 nan 8.180 nan 0.000 1.394 454 T N -3.999 110.809 114.554 0.422 0.000 3.043 454 T HA 0.589 4.938 4.350 -0.001 0.000 0.272 454 T C 1.512 176.391 174.700 0.298 0.000 0.990 454 T CA 1.135 63.451 62.100 0.359 0.000 0.897 454 T CB 0.502 69.611 68.868 0.402 0.000 1.111 454 T HN 1.347 nan 8.240 nan 0.000 0.529 455 G N 2.084 111.041 108.800 0.262 0.000 5.356 455 G HA2 -0.318 3.641 3.960 -0.001 0.000 0.309 455 G HA3 -0.318 3.641 3.960 -0.001 0.000 0.309 455 G C -0.050 175.005 174.900 0.257 0.000 1.451 455 G CA 0.157 45.402 45.100 0.240 0.000 0.978 455 G HN 0.836 nan 8.290 nan 0.000 0.771 456 H N 4.288 123.495 119.070 0.229 0.000 2.767 456 H HA 0.362 4.918 4.556 -0.001 0.000 0.316 456 H C -1.074 174.416 175.328 0.270 0.000 1.059 456 H CA -0.960 55.232 56.048 0.238 0.000 1.461 456 H CB 1.490 31.396 29.762 0.239 0.000 1.475 456 H HN 0.116 nan 8.280 nan 0.000 0.531 457 P HA -0.176 nan 4.420 nan 0.000 0.216 457 P C 1.135 178.716 177.300 0.468 0.000 1.150 457 P CA 1.286 64.636 63.100 0.416 0.000 0.843 457 P CB -0.057 31.860 31.700 0.361 0.000 0.787 458 F N -1.417 118.878 119.950 0.575 0.000 2.502 458 F HA -0.083 4.443 4.527 -0.002 0.000 0.298 458 F C 2.152 177.959 175.800 0.011 0.000 1.111 458 F CA 0.653 58.779 58.000 0.210 0.000 1.445 458 F CB -1.059 37.968 39.000 0.044 0.000 1.081 458 F HN -0.263 nan 8.300 nan 0.000 0.558 459 V N -0.326 119.737 119.914 0.247 0.000 2.594 459 V HA -0.302 3.817 4.120 -0.001 0.000 0.253 459 V C 2.097 178.317 176.094 0.210 0.000 1.069 459 V CA 1.641 64.047 62.300 0.177 0.000 1.082 459 V CB -0.724 31.231 31.823 0.220 0.000 0.680 459 V HN 0.375 nan 8.190 nan 0.000 0.469 460 Q N 0.546 120.502 119.800 0.261 0.000 2.135 460 Q HA -0.211 4.128 4.340 -0.001 0.000 0.204 460 Q C 2.455 178.478 176.000 0.039 0.000 0.981 460 Q CA 2.002 58.020 55.803 0.359 0.000 0.856 460 Q CB -0.361 28.689 28.738 0.520 0.000 0.902 460 Q HN 0.821 nan 8.270 nan 0.000 0.425 461 S N -0.366 114.926 115.700 -0.680 0.000 2.402 461 S HA -0.081 4.388 4.470 -0.001 0.000 0.229 461 S C 2.020 176.478 174.600 -0.238 0.000 1.021 461 S CA 1.184 58.576 58.200 -1.348 0.000 0.974 461 S CB -0.118 61.903 63.200 -1.964 0.000 0.800 461 S HN 0.155 nan 8.310 nan 0.000 0.484 462 S N 0.585 116.287 115.700 0.003 0.000 2.371 462 S HA -0.012 4.457 4.470 -0.001 0.000 0.224 462 S C 1.279 176.060 174.600 0.301 0.000 1.029 462 S CA 0.798 59.071 58.200 0.122 0.000 0.978 462 S CB -0.574 62.628 63.200 0.004 0.000 0.833 462 S HN 0.776 nan 8.310 nan 0.000 0.466 463 W N 1.874 123.224 121.300 0.085 0.000 2.335 463 W HA -0.178 4.481 4.660 -0.002 0.000 0.311 463 W C 2.017 178.590 176.519 0.090 0.000 1.213 463 W CA 0.977 58.400 57.345 0.131 0.000 1.274 463 W CB -1.239 28.340 29.460 0.198 0.000 1.148 463 W HN 0.387 nan 8.180 nan 0.000 0.498 464 Y N 1.141 121.411 120.300 -0.050 0.000 2.097 464 Y HA -0.194 4.355 4.550 -0.002 0.000 0.282 464 Y C 2.620 178.393 175.900 -0.211 0.000 1.152 464 Y CA 3.433 61.205 58.100 -0.548 0.000 1.136 464 Y CB -1.021 36.962 38.460 -0.795 0.000 0.975 464 Y HN -0.066 nan 8.280 nan 0.000 0.498 465 A N -0.159 122.707 122.820 0.076 0.000 1.902 465 A HA -0.237 4.082 4.320 -0.001 0.000 0.217 465 A C 2.201 179.807 177.584 0.037 0.000 1.181 465 A CA 1.639 53.726 52.037 0.083 0.000 0.623 465 A CB -1.608 17.521 19.000 0.214 0.000 0.818 465 A HN 0.686 nan 8.150 nan 0.000 0.443 466 F N 1.197 121.156 119.950 0.016 0.000 2.126 466 F HA -0.045 4.481 4.527 -0.001 0.000 0.299 466 F C 2.218 177.932 175.800 -0.143 0.000 1.096 466 F CA 1.726 59.628 58.000 -0.164 0.000 1.255 466 F CB -0.686 38.173 39.000 -0.234 0.000 0.997 466 F HN 0.177 nan 8.300 nan 0.000 0.479 467 G N 0.601 109.266 108.800 -0.225 0.000 2.408 467 G HA2 -0.187 3.772 3.960 -0.001 0.000 0.217 467 G HA3 -0.187 3.772 3.960 -0.001 0.000 0.217 467 G C 1.749 176.401 174.900 -0.414 0.000 1.150 467 G CA 0.403 45.283 45.100 -0.367 0.000 0.776 467 G HN 0.190 nan 8.290 nan 0.000 0.542 468 R N 0.042 120.259 120.500 -0.473 0.000 2.091 468 R HA 0.054 4.393 4.340 -0.001 0.000 0.238 468 R C 2.576 178.751 176.300 -0.208 0.000 1.136 468 R CA 1.098 56.964 56.100 -0.390 0.000 0.959 468 R CB -0.763 29.269 30.300 -0.446 0.000 0.856 468 R HN 0.418 nan 8.270 nan 0.000 0.437 469 M N -0.161 119.302 119.600 -0.227 0.000 2.319 469 M HA 0.004 4.483 4.480 -0.001 0.000 0.265 469 M C 2.322 178.511 176.300 -0.186 0.000 1.068 469 M CA 1.349 56.559 55.300 -0.151 0.000 1.118 469 M CB -0.230 32.313 32.600 -0.095 0.000 1.395 469 M HN 0.124 nan 8.290 nan 0.000 0.435 470 A N 0.063 122.655 122.820 -0.380 0.000 1.969 470 A HA -0.195 4.124 4.320 -0.001 0.000 0.218 470 A C 2.014 179.497 177.584 -0.167 0.000 1.169 470 A CA 1.020 52.841 52.037 -0.360 0.000 0.635 470 A CB -1.000 17.634 19.000 -0.610 0.000 0.810 470 A HN 0.780 nan 8.150 nan 0.000 0.445 471 W N 0.385 121.505 121.300 -0.299 0.000 2.407 471 W HA -0.005 4.654 4.660 -0.001 0.000 0.305 471 W C -0.695 175.705 176.519 -0.199 0.000 1.196 471 W CA 1.764 58.965 57.345 -0.241 0.000 1.311 471 W CB 0.101 29.401 29.460 -0.266 0.000 1.135 471 W HN 0.348 nan 8.180 nan 0.000 0.514 472 D N -1.215 119.202 120.400 0.029 0.000 2.479 472 D HA 0.070 4.709 4.640 -0.001 0.000 0.246 472 D C 0.497 176.710 176.300 -0.146 0.000 1.336 472 D CA -0.369 53.565 54.000 -0.110 0.000 0.967 472 D CB 0.206 41.001 40.800 -0.009 0.000 1.275 472 D HN 0.201 nan 8.370 nan 0.000 0.577 473 H N 1.571 120.592 119.070 -0.082 0.000 2.559 473 H HA 0.104 4.659 4.556 -0.002 0.000 0.273 473 H C 0.812 176.111 175.328 -0.049 0.000 1.000 473 H CA 0.933 56.938 56.048 -0.071 0.000 1.195 473 H CB 0.074 29.784 29.762 -0.087 0.000 1.368 473 H HN 0.319 nan 8.280 nan 0.000 0.592 474 Q N 0.426 120.083 119.800 -0.238 0.000 2.360 474 Q HA 0.218 4.557 4.340 -0.001 0.000 0.202 474 Q C 0.007 175.974 176.000 -0.055 0.000 0.915 474 Q CA -0.260 55.483 55.803 -0.100 0.000 0.943 474 Q CB 0.547 29.198 28.738 -0.147 0.000 1.064 474 Q HN 0.522 nan 8.270 nan 0.000 0.511 475 I N 2.351 122.888 120.570 -0.055 0.000 2.683 475 I HA -0.083 4.086 4.170 -0.001 0.000 0.286 475 I C 0.795 176.912 176.117 -0.000 0.000 1.175 475 I CA -0.001 61.284 61.300 -0.025 0.000 1.429 475 I CB 0.603 38.581 38.000 -0.036 0.000 1.371 475 I HN 0.111 nan 8.210 nan 0.000 0.569 476 S N 5.049 120.758 115.700 0.016 0.000 2.617 476 S HA 0.399 4.868 4.470 -0.001 0.000 0.269 476 S C 1.076 175.707 174.600 0.051 0.000 1.292 476 S CA -0.296 57.920 58.200 0.027 0.000 1.010 476 S CB 1.761 64.980 63.200 0.032 0.000 0.944 476 S HN 0.721 nan 8.310 nan 0.000 0.536 477 A N 2.001 124.844 122.820 0.039 0.000 1.940 477 A HA 0.111 4.430 4.320 -0.001 0.000 0.219 477 A C 2.367 180.079 177.584 0.213 0.000 1.176 477 A CA 1.831 53.922 52.037 0.090 0.000 0.631 477 A CB -1.653 17.322 19.000 -0.042 0.000 0.814 477 A HN 1.345 nan 8.150 nan 0.000 0.446 478 A N -1.109 121.790 122.820 0.130 0.000 1.877 478 A HA -0.090 4.229 4.320 -0.001 0.000 0.216 478 A C 2.322 179.972 177.584 0.110 0.000 1.186 478 A CA 2.307 54.413 52.037 0.115 0.000 0.620 478 A CB -1.274 17.770 19.000 0.073 0.000 0.822 478 A HN 0.420 nan 8.150 nan 0.000 0.443 479 T N 0.187 114.800 114.554 0.100 0.000 2.746 479 T HA -0.009 4.340 4.350 -0.001 0.000 0.267 479 T C 2.206 176.985 174.700 0.133 0.000 1.039 479 T CA 1.609 63.769 62.100 0.099 0.000 1.142 479 T CB -0.415 68.496 68.868 0.071 0.000 0.866 479 T HN 0.587 nan 8.240 nan 0.000 0.444 480 A N 1.232 124.150 122.820 0.163 0.000 1.930 480 A HA 0.234 4.553 4.320 -0.001 0.000 0.217 480 A C 2.602 180.332 177.584 0.244 0.000 1.175 480 A CA 1.674 53.867 52.037 0.259 0.000 0.627 480 A CB -0.954 18.199 19.000 0.254 0.000 0.815 480 A HN 0.495 nan 8.150 nan 0.000 0.443 481 A N -0.268 122.645 122.820 0.156 0.000 1.930 481 A HA -0.203 4.116 4.320 -0.001 0.000 0.217 481 A C 1.961 179.606 177.584 0.103 0.000 1.175 481 A CA 1.763 53.802 52.037 0.004 0.000 0.627 481 A CB -0.574 18.345 19.000 -0.134 0.000 0.815 481 A HN 0.590 nan 8.150 nan 0.000 0.443 482 D N -0.417 120.044 120.400 0.102 0.000 2.097 482 D HA -0.178 4.461 4.640 -0.001 0.000 0.195 482 D C 1.821 178.179 176.300 0.097 0.000 0.989 482 D CA 1.632 55.691 54.000 0.099 0.000 0.827 482 D CB -0.050 40.809 40.800 0.099 0.000 0.966 482 D HN 0.642 nan 8.370 nan 0.000 0.456 483 E N -0.277 119.984 120.200 0.101 0.000 2.038 483 E HA -0.198 4.152 4.350 -0.001 0.000 0.195 483 E C 1.952 178.485 176.600 -0.113 0.000 1.000 483 E CA 1.128 57.559 56.400 0.051 0.000 0.803 483 E CB -0.407 29.368 29.700 0.126 0.000 0.750 483 E HN 0.415 nan 8.360 nan 0.000 0.448 484 W N 1.588 122.610 121.300 -0.464 0.000 2.363 484 W HA -0.154 4.505 4.660 -0.002 0.000 0.296 484 W C 1.777 178.137 176.519 -0.265 0.000 1.212 484 W CA 1.290 58.226 57.345 -0.682 0.000 1.260 484 W CB -0.191 28.810 29.460 -0.766 0.000 1.131 484 W HN -0.029 nan 8.180 nan 0.000 0.530 485 L N 0.277 121.501 121.223 0.001 0.000 2.056 485 L HA -0.183 4.157 4.340 -0.001 0.000 0.207 485 L C 2.718 179.591 176.870 0.005 0.000 1.078 485 L CA 1.581 56.452 54.840 0.051 0.000 0.749 485 L CB -0.810 41.418 42.059 0.282 0.000 0.901 485 L HN -0.085 nan 8.230 nan 0.000 0.433 486 R N -0.412 120.088 120.500 -0.001 0.000 2.091 486 R HA -0.164 4.175 4.340 -0.001 0.000 0.238 486 R C 2.252 178.493 176.300 -0.100 0.000 1.136 486 R CA 1.557 57.652 56.100 -0.007 0.000 0.959 486 R CB -0.330 29.990 30.300 0.033 0.000 0.856 486 R HN 0.333 nan 8.270 nan 0.000 0.437 487 M N -0.785 118.698 119.600 -0.195 0.000 2.288 487 M HA -0.056 4.423 4.480 -0.001 0.000 0.266 487 M C 1.628 177.713 176.300 -0.359 0.000 1.072 487 M CA 1.374 56.544 55.300 -0.217 0.000 1.132 487 M CB 0.244 32.726 32.600 -0.196 0.000 1.386 487 M HN 0.083 nan 8.290 nan 0.000 0.432 488 T N -1.071 113.119 114.554 -0.608 0.000 3.039 488 T HA 0.155 4.505 4.350 -0.001 0.000 0.250 488 T C 0.882 175.067 174.700 -0.858 0.000 1.052 488 T CA 0.757 62.313 62.100 -0.907 0.000 1.125 488 T CB 0.198 68.071 68.868 -1.657 0.000 0.908 488 T HN 0.140 nan 8.240 nan 0.000 0.473 489 F N 0.358 120.101 119.950 -0.345 0.000 2.423 489 F HA 0.537 5.063 4.527 -0.002 0.000 0.269 489 F C 0.773 176.381 175.800 -0.321 0.000 0.880 489 F CA -0.363 57.468 58.000 -0.281 0.000 1.134 489 F CB 0.428 39.306 39.000 -0.202 0.000 1.143 489 F HN -0.050 nan 8.300 nan 0.000 0.802 490 S N -0.620 115.026 115.700 -0.090 0.000 2.556 490 S HA 0.275 4.744 4.470 -0.001 0.000 0.280 490 S C -0.781 173.812 174.600 -0.011 0.000 1.141 490 S CA -0.676 57.426 58.200 -0.163 0.000 0.883 490 S CB 0.744 63.630 63.200 -0.523 0.000 1.103 490 S HN 0.199 nan 8.310 nan 0.000 0.453 491 N N 1.986 120.681 118.700 -0.009 0.000 2.270 491 N HA 0.064 4.803 4.740 -0.001 0.000 0.198 491 N C -0.508 175.010 175.510 0.013 0.000 1.117 491 N CA -0.004 53.060 53.050 0.023 0.000 0.845 491 N CB 0.323 38.823 38.487 0.021 0.000 0.980 491 N HN 0.547 nan 8.380 nan 0.000 0.486 492 Q N 0.975 120.765 119.800 -0.015 0.000 2.281 492 Q HA 0.108 4.447 4.340 -0.001 0.000 0.267 492 Q C -1.499 174.465 176.000 -0.059 0.000 1.053 492 Q CA -1.309 54.462 55.803 -0.054 0.000 0.905 492 Q CB 1.144 29.796 28.738 -0.144 0.000 1.195 492 Q HN 0.119 nan 8.270 nan 0.000 0.398 493 P HA -0.176 nan 4.420 nan 0.000 0.216 493 P C 0.775 178.032 177.300 -0.073 0.000 1.150 493 P CA 1.593 64.671 63.100 -0.036 0.000 0.843 493 P CB 0.286 31.973 31.700 -0.022 0.000 0.787 494 A N -1.922 120.830 122.820 -0.113 0.000 2.067 494 A HA -0.137 4.182 4.320 -0.001 0.000 0.219 494 A C 1.974 179.420 177.584 -0.231 0.000 1.158 494 A CA 0.929 52.891 52.037 -0.124 0.000 0.661 494 A CB -1.579 17.401 19.000 -0.033 0.000 0.801 494 A HN 0.185 nan 8.150 nan 0.000 0.452 495 F N 0.388 119.984 119.950 -0.591 0.000 2.147 495 F HA 0.021 4.547 4.527 -0.002 0.000 0.291 495 F C 1.867 177.547 175.800 -0.200 0.000 1.093 495 F CA 1.304 58.995 58.000 -0.514 0.000 1.263 495 F CB -0.213 38.369 39.000 -0.697 0.000 1.036 495 F HN 0.135 nan 8.300 nan 0.000 0.481 496 I N 0.550 121.051 120.570 -0.115 0.000 2.163 496 I HA -0.296 3.873 4.170 -0.001 0.000 0.243 496 I C 2.406 178.424 176.117 -0.166 0.000 1.085 496 I CA 1.907 63.134 61.300 -0.121 0.000 1.347 496 I CB -0.578 37.440 38.000 0.029 0.000 1.044 496 I HN 0.231 nan 8.210 nan 0.000 0.408 497 E N 1.452 121.582 120.200 -0.117 0.000 2.031 497 E HA -0.175 4.174 4.350 -0.001 0.000 0.193 497 E C -0.555 175.986 176.600 -0.098 0.000 0.994 497 E CA 1.760 58.113 56.400 -0.079 0.000 0.800 497 E CB -1.142 28.528 29.700 -0.049 0.000 0.752 497 E HN 0.299 nan 8.360 nan 0.000 0.447 498 P HA -0.090 nan 4.420 nan 0.000 0.219 498 P C 1.392 178.619 177.300 -0.121 0.000 1.150 498 P CA 1.033 64.074 63.100 -0.098 0.000 0.814 498 P CB 0.073 31.725 31.700 -0.080 0.000 0.787 499 V N 0.958 120.720 119.914 -0.253 0.000 2.453 499 V HA -0.159 3.960 4.120 -0.001 0.000 0.247 499 V C 2.836 178.886 176.094 -0.073 0.000 1.048 499 V CA 1.721 63.901 62.300 -0.200 0.000 1.049 499 V CB -1.184 30.330 31.823 -0.515 0.000 0.672 499 V HN 0.127 nan 8.190 nan 0.000 0.457 500 K N -0.145 120.202 120.400 -0.089 0.000 2.063 500 K HA -0.233 4.086 4.320 -0.001 0.000 0.208 500 K C 2.296 178.893 176.600 -0.005 0.000 1.048 500 K CA 1.506 57.780 56.287 -0.022 0.000 0.928 500 K CB -0.075 32.418 32.500 -0.012 0.000 0.713 500 K HN 0.333 nan 8.250 nan 0.000 0.442 501 Q N 0.275 120.065 119.800 -0.016 0.000 2.119 501 Q HA -0.158 4.182 4.340 -0.001 0.000 0.201 501 Q C 2.001 178.001 176.000 -0.001 0.000 0.972 501 Q CA 1.418 57.221 55.803 -0.001 0.000 0.847 501 Q CB -0.258 28.476 28.738 -0.006 0.000 0.903 501 Q HN 0.485 nan 8.270 nan 0.000 0.433 502 M N -0.284 119.308 119.600 -0.013 0.000 2.080 502 M HA -0.196 4.283 4.480 -0.001 0.000 0.260 502 M C 2.034 178.313 176.300 -0.036 0.000 1.068 502 M CA 1.442 56.727 55.300 -0.025 0.000 1.109 502 M CB -0.034 32.550 32.600 -0.028 0.000 1.342 502 M HN 0.182 nan 8.290 nan 0.000 0.405 503 M N 0.140 119.730 119.600 -0.018 0.000 2.080 503 M HA -0.249 4.230 4.480 -0.001 0.000 0.260 503 M C 2.011 178.387 176.300 0.126 0.000 1.068 503 M CA 1.669 56.977 55.300 0.014 0.000 1.109 503 M CB -0.556 31.989 32.600 -0.091 0.000 1.342 503 M HN 0.338 nan 8.290 nan 0.000 0.405 504 L N -1.038 120.249 121.223 0.107 0.000 2.201 504 L HA -0.122 4.217 4.340 -0.001 0.000 0.212 504 L C 2.376 179.263 176.870 0.028 0.000 1.105 504 L CA 0.418 55.322 54.840 0.105 0.000 0.775 504 L CB -0.494 41.611 42.059 0.077 0.000 0.913 504 L HN 0.171 nan 8.230 nan 0.000 0.440 505 V N -0.627 119.293 119.914 0.010 0.000 2.951 505 V HA -0.154 3.965 4.120 -0.001 0.000 0.255 505 V C 2.540 178.620 176.094 -0.023 0.000 1.088 505 V CA 1.471 63.766 62.300 -0.008 0.000 1.109 505 V CB 0.155 31.976 31.823 -0.003 0.000 0.724 505 V HN 0.633 nan 8.190 nan 0.000 0.471 506 S N 0.471 116.154 115.700 -0.028 0.000 2.382 506 S HA -0.256 4.214 4.470 -0.001 0.000 0.228 506 S C 2.184 176.747 174.600 -0.061 0.000 1.027 506 S CA 1.340 59.513 58.200 -0.044 0.000 0.991 506 S CB -0.626 62.528 63.200 -0.076 0.000 0.823 506 S HN 0.580 nan 8.310 nan 0.000 0.469 507 R N 1.601 122.029 120.500 -0.120 0.000 2.073 507 R HA -0.042 4.297 4.340 -0.001 0.000 0.234 507 R C 2.203 178.491 176.300 -0.021 0.000 1.134 507 R CA 2.104 58.115 56.100 -0.148 0.000 0.952 507 R CB -0.880 29.245 30.300 -0.291 0.000 0.850 507 R HN 0.536 nan 8.270 nan 0.000 0.433 508 E N 0.193 120.360 120.200 -0.055 0.000 2.106 508 E HA -0.034 4.316 4.350 -0.001 0.000 0.192 508 E C 1.757 178.302 176.600 -0.092 0.000 0.984 508 E CA 1.403 57.769 56.400 -0.058 0.000 0.806 508 E CB -0.216 29.456 29.700 -0.046 0.000 0.750 508 E HN 0.404 nan 8.360 nan 0.000 0.458 509 A N 0.136 122.918 122.820 -0.065 0.000 1.883 509 A HA -0.127 4.192 4.320 -0.001 0.000 0.217 509 A C 2.454 179.846 177.584 -0.320 0.000 1.186 509 A CA 1.877 53.884 52.037 -0.051 0.000 0.624 509 A CB -1.367 17.680 19.000 0.079 0.000 0.822 509 A HN 0.409 nan 8.150 nan 0.000 0.444 510 G N -0.901 107.689 108.800 -0.351 0.000 2.448 510 G HA2 -0.043 3.916 3.960 -0.001 0.000 0.219 510 G HA3 -0.043 3.916 3.960 -0.001 0.000 0.219 510 G C 1.450 175.894 174.900 -0.759 0.000 1.127 510 G CA 1.142 45.810 45.100 -0.720 0.000 0.766 510 G HN 0.329 nan 8.290 nan 0.000 0.552 511 V N 1.358 121.029 119.914 -0.405 0.000 2.307 511 V HA -0.168 3.951 4.120 -0.001 0.000 0.245 511 V C 2.647 178.466 176.094 -0.458 0.000 1.045 511 V CA 1.813 63.886 62.300 -0.379 0.000 1.024 511 V CB -0.413 31.300 31.823 -0.184 0.000 0.651 511 V HN 0.297 nan 8.190 nan 0.000 0.449 512 N N 0.341 118.807 118.700 -0.390 0.000 2.142 512 N HA -0.161 4.579 4.740 -0.001 0.000 0.186 512 N C 1.763 177.032 175.510 -0.401 0.000 1.023 512 N CA 1.917 54.755 53.050 -0.354 0.000 0.852 512 N CB -0.453 37.920 38.487 -0.189 0.000 0.998 512 N HN 0.816 nan 8.380 nan 0.000 0.424 513 Y N -0.492 119.641 120.300 -0.279 0.000 2.529 513 Y HA 0.344 4.893 4.550 -0.002 0.000 0.290 513 Y C 1.803 177.642 175.900 -0.102 0.000 1.177 513 Y CA 0.008 58.028 58.100 -0.133 0.000 1.305 513 Y CB -0.129 38.279 38.460 -0.087 0.000 1.047 513 Y HN -0.110 nan 8.280 nan 0.000 0.522 514 R N 0.599 120.826 120.500 -0.456 0.000 2.119 514 R HA 0.271 4.610 4.340 -0.001 0.000 0.202 514 R C -0.172 176.048 176.300 -0.133 0.000 1.114 514 R CA 0.991 56.781 56.100 -0.517 0.000 1.089 514 R CB 0.306 29.887 30.300 -1.199 0.000 1.000 514 R HN 0.308 nan 8.270 nan 0.000 0.487 515 S N 0.510 115.995 115.700 -0.358 0.000 2.891 515 S HA 0.232 4.702 4.470 -0.001 0.000 0.141 515 S C -2.841 171.576 174.600 -0.305 0.000 0.993 515 S CA -1.215 56.850 58.200 -0.225 0.000 1.051 515 S CB 1.471 64.573 63.200 -0.163 0.000 1.657 515 S HN -0.059 nan 8.310 nan 0.000 0.482 516 P HA 0.510 nan 4.420 nan 0.000 0.277 516 P C 0.689 177.866 177.300 -0.205 0.000 1.271 516 P CA -0.379 62.539 63.100 -0.302 0.000 0.795 516 P CB 0.419 31.896 31.700 -0.372 0.000 1.101 517 L N -2.277 118.862 121.223 -0.140 0.000 4.496 517 L HA -0.287 4.052 4.340 -0.001 0.000 0.419 517 L C 1.149 177.942 176.870 -0.127 0.000 1.139 517 L CA 0.665 55.444 54.840 -0.103 0.000 0.975 517 L CB -2.567 39.436 42.059 -0.093 0.000 2.099 517 L HN 0.857 nan 8.230 nan 0.000 0.818 518 G N -0.967 107.741 108.800 -0.154 0.000 2.176 518 G HA2 -0.260 3.699 3.960 -0.001 0.000 0.232 518 G HA3 -0.260 3.699 3.960 -0.001 0.000 0.232 518 G C 0.252 174.757 174.900 -0.658 0.000 0.986 518 G CA 0.201 45.107 45.100 -0.323 0.000 0.643 518 G HN 0.255 nan 8.290 nan 0.000 0.522 519 L N 0.241 121.235 121.223 -0.381 0.000 2.482 519 L HA 0.629 4.968 4.340 -0.001 0.000 0.273 519 L C 0.923 177.561 176.870 -0.386 0.000 1.228 519 L CA 0.920 55.572 54.840 -0.312 0.000 0.827 519 L CB 1.172 43.166 42.059 -0.109 0.000 1.099 519 L HN 0.261 nan 8.230 nan 0.000 0.494 520 T N -0.803 113.576 114.554 -0.293 0.000 2.827 520 T HA 0.207 4.556 4.350 -0.001 0.000 0.328 520 T C -0.419 174.223 174.700 -0.096 0.000 1.598 520 T CA -0.417 61.518 62.100 -0.275 0.000 1.043 520 T CB 0.561 69.072 68.868 -0.594 0.000 1.447 520 T HN 0.784 nan 8.240 nan 0.000 0.491 521 H N 1.852 120.798 119.070 -0.208 0.000 2.826 521 H HA -0.097 4.458 4.556 -0.001 0.000 0.306 521 H C 0.102 175.425 175.328 -0.008 0.000 1.235 521 H CA 1.039 56.972 56.048 -0.192 0.000 1.150 521 H CB -1.242 28.090 29.762 -0.717 0.000 1.409 521 H HN 0.501 nan 8.280 nan 0.000 0.420 522 L N 0.167 121.400 121.223 0.018 0.000 2.653 522 L HA 0.123 4.462 4.340 -0.001 0.000 0.231 522 L C 0.657 177.412 176.870 -0.193 0.000 1.153 522 L CA -0.048 54.769 54.840 -0.039 0.000 0.933 522 L CB -0.099 41.970 42.059 0.016 0.000 1.175 522 L HN 0.085 nan 8.230 nan 0.000 0.473 523 Y N 0.149 120.444 120.300 -0.009 0.000 2.326 523 Y HA 0.069 4.618 4.550 -0.002 0.000 0.333 523 Y C 1.348 177.207 175.900 -0.067 0.000 1.240 523 Y CA 0.003 58.116 58.100 0.021 0.000 1.365 523 Y CB 0.667 39.204 38.460 0.129 0.000 1.289 523 Y HN -0.128 nan 8.280 nan 0.000 0.548 524 S N 2.679 118.407 115.700 0.047 0.000 2.563 524 S HA -0.012 4.457 4.470 -0.001 0.000 0.294 524 S C -0.409 174.283 174.600 0.155 0.000 1.279 524 S CA -0.669 57.551 58.200 0.034 0.000 1.069 524 S CB 0.001 63.203 63.200 0.003 0.000 0.828 524 S HN 0.466 nan 8.310 nan 0.000 0.497 525 Q N 3.018 122.883 119.800 0.109 0.000 2.274 525 Q HA 0.414 4.753 4.340 -0.001 0.000 0.260 525 Q C 0.818 176.817 176.000 -0.002 0.000 0.974 525 Q CA -0.237 55.619 55.803 0.088 0.000 0.876 525 Q CB 1.690 30.516 28.738 0.147 0.000 1.297 525 Q HN 0.885 nan 8.270 nan 0.000 0.446 526 G N 1.178 109.911 108.800 -0.112 0.000 3.233 526 G HA2 -0.067 3.892 3.960 -0.001 0.000 0.234 526 G HA3 -0.067 3.892 3.960 -0.001 0.000 0.234 526 G C 0.633 174.942 174.900 -0.984 0.000 1.137 526 G CA -0.000 44.901 45.100 -0.332 0.000 0.763 526 G HN 0.667 nan 8.290 nan 0.000 0.549 527 D N 0.116 119.924 120.400 -0.986 0.000 2.234 527 D HA -0.116 4.523 4.640 -0.001 0.000 0.205 527 D C 0.765 176.967 176.300 -0.164 0.000 0.962 527 D CA 0.699 54.140 54.000 -0.932 0.000 0.855 527 D CB -0.575 39.923 40.800 -0.504 0.000 0.951 527 D HN 0.554 nan 8.370 nan 0.000 0.500 528 H N -2.257 116.844 119.070 0.052 0.000 3.109 528 H HA -0.236 4.319 4.556 -0.001 0.000 0.245 528 H C 0.433 175.915 175.328 0.257 0.000 1.187 528 H CA 0.574 56.718 56.048 0.159 0.000 1.136 528 H CB -2.155 27.556 29.762 -0.086 0.000 1.243 528 H HN 0.233 nan 8.280 nan 0.000 0.328 529 Y N 1.327 121.645 120.300 0.029 0.000 2.206 529 Y HA 0.213 4.763 4.550 -0.000 0.000 0.292 529 Y C 1.672 177.568 175.900 -0.006 0.000 1.123 529 Y CA 1.534 59.378 58.100 -0.427 0.000 1.142 529 Y CB 0.298 38.353 38.460 -0.675 0.000 1.006 529 Y HN 0.278 nan 8.280 nan 0.000 0.518 530 G N -0.440 108.314 108.800 -0.077 0.000 2.788 530 G HA2 0.471 4.430 3.960 -0.001 0.000 0.293 530 G HA3 0.471 4.430 3.960 -0.001 0.000 0.293 530 G C -2.910 171.417 174.900 -0.955 0.000 1.305 530 G CA -1.812 42.985 45.100 -0.504 0.000 1.005 530 G HN -0.107 nan 8.290 nan 0.000 0.496 531 P HA 0.393 nan 4.420 nan 0.000 0.275 531 P C -0.616 176.072 177.300 -1.020 0.000 1.227 531 P CA -0.024 62.075 63.100 -1.668 0.000 0.781 531 P CB 1.780 32.608 31.700 -1.453 0.000 0.906 532 A N 4.346 126.536 122.820 -1.050 0.000 3.464 532 A HA 0.334 4.654 4.320 -0.001 0.000 0.243 532 A C -1.795 174.953 177.584 -1.393 0.000 1.100 532 A CA -0.684 50.468 52.037 -1.474 0.000 0.957 532 A CB 0.345 18.933 19.000 -0.687 0.000 1.340 532 A HN 0.305 nan 8.150 nan 0.000 0.645 533 P HA -0.123 nan 4.420 nan 0.000 0.230 533 P C 0.913 177.636 177.300 -0.961 0.000 1.158 533 P CA 0.905 63.469 63.100 -0.894 0.000 0.769 533 P CB -0.296 30.874 31.700 -0.884 0.000 0.807 534 W N -0.310 120.497 121.300 -0.822 0.000 3.047 534 W HA 0.214 4.873 4.660 -0.002 0.000 0.250 534 W C 0.132 176.574 176.519 -0.130 0.000 1.314 534 W CA -0.184 56.809 57.345 -0.587 0.000 1.540 534 W CB -2.127 27.135 29.460 -0.330 0.000 1.127 534 W HN -0.308 nan 8.180 nan 0.000 0.679 535 T N 2.984 117.494 114.554 -0.074 0.000 2.831 535 T HA 0.033 4.382 4.350 -0.001 0.000 0.291 535 T C -0.313 174.485 174.700 0.163 0.000 0.981 535 T CA 0.665 62.835 62.100 0.116 0.000 1.174 535 T CB 0.301 69.203 68.868 0.056 0.000 0.929 535 T HN 0.102 nan 8.240 nan 0.000 0.532 536 D N 1.073 121.586 120.400 0.188 0.000 2.636 536 D HA 0.236 4.875 4.640 -0.001 0.000 0.275 536 D C -1.018 175.372 176.300 0.150 0.000 1.130 536 D CA -0.495 53.603 54.000 0.164 0.000 1.031 536 D CB 1.420 42.316 40.800 0.159 0.000 1.451 536 D HN 0.446 nan 8.370 nan 0.000 0.505 537 D N 0.371 120.842 120.400 0.119 0.000 2.927 537 D HA -0.169 4.470 4.640 -0.001 0.000 0.236 537 D C -0.384 175.986 176.300 0.118 0.000 1.163 537 D CA 0.692 54.751 54.000 0.099 0.000 0.801 537 D CB -0.997 39.858 40.800 0.091 0.000 0.975 537 D HN 0.264 nan 8.370 nan 0.000 0.413 538 L N -0.047 121.250 121.223 0.122 0.000 2.271 538 L HA 0.366 4.705 4.340 -0.001 0.000 0.265 538 L C -1.001 175.895 176.870 0.043 0.000 1.013 538 L CA -2.059 52.876 54.840 0.158 0.000 0.820 538 L CB 0.987 43.229 42.059 0.304 0.000 1.352 538 L HN -0.190 nan 8.230 nan 0.000 0.443 539 P HA -0.103 nan 4.420 nan 0.000 0.217 539 P C -0.747 176.363 177.300 -0.317 0.000 1.148 539 P CA 1.248 64.251 63.100 -0.161 0.000 0.828 539 P CB 0.115 31.692 31.700 -0.206 0.000 0.783 540 R N -1.798 118.410 120.500 -0.486 0.000 2.621 540 R HA 0.723 5.062 4.340 -0.001 0.000 0.292 540 R C 0.639 176.773 176.300 -0.277 0.000 0.969 540 R CA -0.498 55.307 56.100 -0.490 0.000 0.887 540 R CB 1.264 31.060 30.300 -0.840 0.000 1.180 540 R HN -0.249 nan 8.270 nan 0.000 0.450 541 A N 2.108 124.802 122.820 -0.211 0.000 1.978 541 A HA -0.240 4.079 4.320 -0.001 0.000 0.220 541 A C 1.273 178.612 177.584 -0.408 0.000 1.170 541 A CA 1.937 53.881 52.037 -0.156 0.000 0.636 541 A CB -0.639 18.340 19.000 -0.036 0.000 0.810 541 A HN 0.916 nan 8.150 nan 0.000 0.448 542 D N -2.450 117.544 120.400 -0.678 0.000 2.363 542 D HA -0.096 4.543 4.640 -0.001 0.000 0.226 542 D C 0.923 177.250 176.300 0.045 0.000 1.020 542 D CA 0.074 53.549 54.000 -0.875 0.000 0.892 542 D CB -0.410 39.906 40.800 -0.807 0.000 0.900 542 D HN 0.581 nan 8.370 nan 0.000 0.531 543 W N 1.573 122.830 121.300 -0.071 0.000 3.077 543 W HA 0.192 4.851 4.660 -0.001 0.000 0.266 543 W C 0.837 177.530 176.519 0.291 0.000 1.300 543 W CA -0.112 57.337 57.345 0.175 0.000 1.586 543 W CB -0.755 28.795 29.460 0.149 0.000 1.103 543 W HN -0.046 nan 8.180 nan 0.000 0.652 544 T N -2.869 111.909 114.554 0.374 0.000 2.847 544 T HA 0.633 4.982 4.350 -0.001 0.000 0.279 544 T C 1.253 176.198 174.700 0.409 0.000 0.984 544 T CA 0.026 62.327 62.100 0.333 0.000 0.988 544 T CB 2.128 71.126 68.868 0.217 0.000 1.040 544 T HN -0.078 nan 8.240 nan 0.000 0.528 545 A N 0.620 123.632 122.820 0.319 0.000 1.943 545 A HA 0.167 4.486 4.320 -0.001 0.000 0.213 545 A C 2.449 180.098 177.584 0.109 0.000 1.181 545 A CA 1.155 53.389 52.037 0.328 0.000 0.653 545 A CB -1.186 17.922 19.000 0.180 0.000 0.833 545 A HN 1.297 nan 8.150 nan 0.000 0.451 546 V N -2.637 117.253 119.914 -0.040 0.000 2.594 546 V HA -0.273 3.846 4.120 -0.001 0.000 0.253 546 V C 2.244 178.221 176.094 -0.195 0.000 1.069 546 V CA 2.119 64.205 62.300 -0.356 0.000 1.082 546 V CB -1.466 30.355 31.823 -0.004 0.000 0.680 546 V HN 0.553 nan 8.190 nan 0.000 0.469 547 Y N 0.923 121.137 120.300 -0.143 0.000 2.207 547 Y HA -0.239 4.310 4.550 -0.001 0.000 0.287 547 Y C 2.232 178.025 175.900 -0.179 0.000 1.156 547 Y CA 2.252 60.232 58.100 -0.199 0.000 1.182 547 Y CB -0.353 37.918 38.460 -0.315 0.000 0.979 547 Y HN 0.336 nan 8.280 nan 0.000 0.521 548 Y N -1.211 119.192 120.300 0.172 0.000 2.269 548 Y HA -0.077 4.472 4.550 -0.001 0.000 0.294 548 Y C 2.547 178.542 175.900 0.159 0.000 1.120 548 Y CA 1.563 59.756 58.100 0.155 0.000 1.159 548 Y CB -0.579 37.924 38.460 0.070 0.000 1.024 548 Y HN 0.418 nan 8.280 nan 0.000 0.532 549 H N -1.626 117.635 119.070 0.318 0.000 2.465 549 H HA 0.242 4.797 4.556 -0.002 0.000 0.289 549 H C 0.647 176.099 175.328 0.207 0.000 1.022 549 H CA 0.336 56.533 56.048 0.247 0.000 1.340 549 H CB -0.293 29.689 29.762 0.367 0.000 1.437 549 H HN -0.051 nan 8.280 nan 0.000 0.539 550 R N -0.033 120.567 120.500 0.167 0.000 3.627 550 R HA -0.150 4.189 4.340 -0.001 0.000 0.281 550 R C -0.202 176.320 176.300 0.369 0.000 1.140 550 R CA 0.347 56.534 56.100 0.145 0.000 0.761 550 R CB -2.304 27.949 30.300 -0.078 0.000 1.181 550 R HN 0.605 nan 8.270 nan 0.000 0.472 551 A N 1.383 124.624 122.820 0.700 0.000 2.498 551 A HA 0.438 4.757 4.320 -0.001 0.000 0.239 551 A C 0.874 178.707 177.584 0.414 0.000 1.068 551 A CA 0.679 53.040 52.037 0.540 0.000 0.766 551 A CB 0.486 19.889 19.000 0.672 0.000 1.003 551 A HN 0.552 nan 8.150 nan 0.000 0.497 552 S N 0.811 116.726 115.700 0.359 0.000 2.776 552 S HA 0.520 4.989 4.470 -0.001 0.000 0.292 552 S C 0.539 175.355 174.600 0.359 0.000 1.187 552 S CA -0.166 58.206 58.200 0.286 0.000 0.834 552 S CB 1.136 64.457 63.200 0.202 0.000 1.199 552 S HN 0.630 nan 8.310 nan 0.000 0.514 553 K N 0.596 121.134 120.400 0.229 0.000 2.209 553 K HA -0.041 4.279 4.320 -0.001 0.000 0.204 553 K C 1.788 178.573 176.600 0.309 0.000 1.048 553 K CA 2.506 58.913 56.287 0.200 0.000 0.940 553 K CB -0.890 31.664 32.500 0.090 0.000 0.729 553 K HN 0.801 nan 8.250 nan 0.000 0.451 554 T N -4.100 110.605 114.554 0.251 0.000 3.037 554 T HA 0.379 4.728 4.350 -0.001 0.000 0.252 554 T C 0.838 175.548 174.700 0.017 0.000 1.073 554 T CA 0.093 62.309 62.100 0.194 0.000 1.091 554 T CB 0.603 69.538 68.868 0.111 0.000 0.935 554 T HN 0.222 nan 8.240 nan 0.000 0.488 555 G N 0.188 108.842 108.800 -0.243 0.000 2.427 555 G HA2 0.577 4.536 3.960 -0.001 0.000 0.306 555 G HA3 0.577 4.536 3.960 -0.001 0.000 0.306 555 G C -2.291 172.000 174.900 -1.014 0.000 1.280 555 G CA -0.585 43.930 45.100 -0.976 0.000 0.837 555 G HN 0.457 nan 8.290 nan 0.000 0.482 556 I N -1.002 118.834 120.570 -1.223 0.000 2.984 556 I HA 0.670 4.839 4.170 -0.001 0.000 0.303 556 I C -0.072 175.719 176.117 -0.543 0.000 1.381 556 I CA 0.593 61.476 61.300 -0.696 0.000 0.988 556 I CB 2.205 39.706 38.000 -0.832 0.000 1.307 556 I HN 2.239 nan 8.210 nan 0.000 0.460 557 G N 3.479 112.232 108.800 -0.079 0.000 2.515 557 G HA2 0.057 4.016 3.960 -0.001 0.000 0.686 557 G HA3 0.057 4.016 3.960 -0.001 0.000 0.686 557 G C -2.010 173.025 174.900 0.226 0.000 1.274 557 G CA -0.656 44.456 45.100 0.021 0.000 0.874 557 G HN 0.671 nan 8.290 nan 0.000 0.631 558 F N 1.552 121.490 119.950 -0.020 0.000 2.460 558 F HA 0.624 5.151 4.527 -0.001 0.000 0.341 558 F C 0.114 175.874 175.800 -0.067 0.000 1.130 558 F CA -1.523 56.438 58.000 -0.066 0.000 0.962 558 F CB 1.740 40.667 39.000 -0.121 0.000 1.171 558 F HN 0.505 nan 8.300 nan 0.000 0.436 559 N N 5.218 123.952 118.700 0.057 0.000 2.399 559 N HA 0.149 4.889 4.740 -0.001 0.000 0.259 559 N C 0.142 175.737 175.510 0.141 0.000 1.160 559 N CA 0.281 53.361 53.050 0.049 0.000 0.946 559 N CB 0.295 38.751 38.487 -0.051 0.000 1.156 559 N HN 0.704 nan 8.380 nan 0.000 0.489 560 R N 1.151 121.722 120.500 0.119 0.000 2.577 560 R HA 0.089 4.428 4.340 -0.001 0.000 0.344 560 R C 0.455 176.758 176.300 0.004 0.000 1.037 560 R CA -0.192 55.962 56.100 0.089 0.000 1.102 560 R CB 0.224 30.552 30.300 0.047 0.000 1.313 560 R HN 0.607 nan 8.270 nan 0.000 0.561 561 T N -2.107 112.423 114.554 -0.040 0.000 2.771 561 T HA 0.164 4.513 4.350 -0.001 0.000 0.290 561 T C 1.211 175.902 174.700 -0.016 0.000 1.005 561 T CA -0.547 61.521 62.100 -0.053 0.000 0.944 561 T CB 1.181 70.013 68.868 -0.059 0.000 1.147 561 T HN -0.073 nan 8.240 nan 0.000 0.534 562 K N 0.112 120.506 120.400 -0.010 0.000 2.281 562 K HA -0.079 4.240 4.320 -0.001 0.000 0.203 562 K C 2.246 178.845 176.600 -0.001 0.000 1.046 562 K CA 1.683 57.969 56.287 -0.002 0.000 0.938 562 K CB -0.486 32.015 32.500 0.001 0.000 0.737 562 K HN 0.852 nan 8.250 nan 0.000 0.458 563 T N -3.005 111.548 114.554 -0.002 0.000 3.107 563 T HA 0.144 4.493 4.350 -0.001 0.000 0.249 563 T C 1.072 175.759 174.700 -0.021 0.000 1.096 563 T CA 0.151 62.246 62.100 -0.008 0.000 1.012 563 T CB 0.550 69.417 68.868 -0.001 0.000 0.977 563 T HN 0.177 nan 8.240 nan 0.000 0.527 564 G N 1.534 110.323 108.800 -0.018 0.000 3.414 564 G HA2 0.368 4.327 3.960 -0.001 0.000 0.189 564 G HA3 0.368 4.327 3.960 -0.001 0.000 0.189 564 G C 1.216 176.119 174.900 0.005 0.000 1.329 564 G CA 0.217 45.300 45.100 -0.028 0.000 0.851 564 G HN 0.337 nan 8.290 nan 0.000 0.671 565 S N -0.324 115.409 115.700 0.055 0.000 2.515 565 S HA -0.048 4.421 4.470 -0.001 0.000 0.231 565 S C 1.305 175.940 174.600 0.059 0.000 0.987 565 S CA 1.223 59.473 58.200 0.084 0.000 0.936 565 S CB -0.258 63.049 63.200 0.178 0.000 0.766 565 S HN 0.755 nan 8.310 nan 0.000 0.528 566 N N 0.646 119.368 118.700 0.037 0.000 2.725 566 N HA -0.211 4.528 4.740 -0.001 0.000 0.249 566 N C 0.682 176.203 175.510 0.020 0.000 1.103 566 N CA 0.797 53.858 53.050 0.018 0.000 0.707 566 N CB -1.647 36.849 38.487 0.015 0.000 1.043 566 N HN 0.640 nan 8.380 nan 0.000 0.553 567 A N -0.332 122.506 122.820 0.030 0.000 2.019 567 A HA -0.030 4.289 4.320 -0.001 0.000 0.219 567 A C 2.236 179.857 177.584 0.062 0.000 1.164 567 A CA 1.232 53.299 52.037 0.050 0.000 0.644 567 A CB -0.296 18.736 19.000 0.055 0.000 0.805 567 A HN 0.455 nan 8.150 nan 0.000 0.449 568 L N -0.976 120.270 121.223 0.038 0.000 2.187 568 L HA -0.212 4.127 4.340 -0.001 0.000 0.213 568 L C 2.840 179.742 176.870 0.053 0.000 1.100 568 L CA 0.905 55.782 54.840 0.062 0.000 0.765 568 L CB -0.443 41.561 42.059 -0.091 0.000 0.904 568 L HN 0.459 nan 8.230 nan 0.000 0.437 569 A N -0.773 122.042 122.820 -0.009 0.000 2.209 569 A HA -0.147 4.172 4.320 -0.001 0.000 0.212 569 A C 2.054 179.579 177.584 -0.099 0.000 1.158 569 A CA 0.752 52.772 52.037 -0.028 0.000 0.742 569 A CB -0.265 18.728 19.000 -0.011 0.000 0.790 569 A HN 0.498 nan 8.150 nan 0.000 0.472 570 Q N -1.589 118.057 119.800 -0.258 0.000 2.435 570 Q HA 0.017 4.356 4.340 -0.001 0.000 0.207 570 Q C -0.532 175.069 176.000 -0.665 0.000 0.956 570 Q CA 0.383 55.740 55.803 -0.744 0.000 0.917 570 Q CB 0.043 28.054 28.738 -1.211 0.000 0.997 570 Q HN 0.772 nan 8.270 nan 0.000 0.497 571 Y N 0.337 120.503 120.300 -0.224 0.000 2.453 571 Y HA 0.286 4.835 4.550 -0.002 0.000 0.326 571 Y C -1.932 173.936 175.900 -0.054 0.000 1.186 571 Y CA -3.016 55.001 58.100 -0.137 0.000 1.200 571 Y CB 0.315 38.625 38.460 -0.250 0.000 1.247 571 Y HN -0.086 nan 8.280 nan 0.000 0.482 572 P HA -0.074 nan 4.420 nan 0.000 0.267 572 P C 0.806 178.123 177.300 0.027 0.000 1.200 572 P CA 0.149 63.328 63.100 0.132 0.000 0.772 572 P CB 0.726 32.537 31.700 0.185 0.000 0.855 573 E N 3.921 124.123 120.200 0.004 0.000 2.086 573 E HA -0.209 4.140 4.350 -0.001 0.000 0.200 573 E C -0.927 175.597 176.600 -0.128 0.000 1.012 573 E CA 2.321 58.692 56.400 -0.048 0.000 0.812 573 E CB -1.681 28.000 29.700 -0.032 0.000 0.743 573 E HN 0.348 nan 8.360 nan 0.000 0.453 574 P HA -0.114 nan 4.420 nan 0.000 0.218 574 P C 1.556 178.621 177.300 -0.393 0.000 1.149 574 P CA 0.939 63.831 63.100 -0.346 0.000 0.817 574 P CB -0.025 31.292 31.700 -0.639 0.000 0.785 575 I N -0.484 119.860 120.570 -0.376 0.000 2.233 575 I HA -0.116 4.053 4.170 -0.001 0.000 0.243 575 I C 2.230 177.950 176.117 -0.661 0.000 1.093 575 I CA 1.342 62.233 61.300 -0.681 0.000 1.380 575 I CB -1.784 35.787 38.000 -0.715 0.000 1.067 575 I HN -0.094 nan 8.210 nan 0.000 0.413 576 A N 0.887 123.494 122.820 -0.354 0.000 1.940 576 A HA -0.274 4.045 4.320 -0.001 0.000 0.219 576 A C 2.460 179.949 177.584 -0.159 0.000 1.176 576 A CA 2.113 54.020 52.037 -0.216 0.000 0.631 576 A CB -0.592 18.350 19.000 -0.097 0.000 0.814 576 A HN 0.405 nan 8.150 nan 0.000 0.446 577 K N -0.520 119.788 120.400 -0.154 0.000 2.025 577 K HA -0.029 4.290 4.320 -0.001 0.000 0.207 577 K C 2.205 178.770 176.600 -0.058 0.000 1.049 577 K CA 1.158 57.391 56.287 -0.090 0.000 0.933 577 K CB -0.338 32.104 32.500 -0.097 0.000 0.714 577 K HN 0.346 nan 8.250 nan 0.000 0.438 578 A N 0.513 123.263 122.820 -0.115 0.000 1.902 578 A HA -0.146 4.173 4.320 -0.001 0.000 0.217 578 A C 1.633 179.334 177.584 0.195 0.000 1.181 578 A CA 1.248 53.284 52.037 -0.001 0.000 0.623 578 A CB -0.781 18.180 19.000 -0.066 0.000 0.818 578 A HN 0.531 nan 8.150 nan 0.000 0.443 579 W N -0.470 120.767 121.300 -0.105 0.000 2.770 579 W HA 0.216 4.875 4.660 -0.001 0.000 0.256 579 W C 2.246 178.766 176.519 0.000 0.000 1.291 579 W CA 0.071 57.344 57.345 -0.120 0.000 1.396 579 W CB -1.169 27.986 29.460 -0.507 0.000 1.114 579 W HN 0.391 nan 8.180 nan 0.000 0.637 580 G N -0.837 108.064 108.800 0.168 0.000 2.623 580 G HA2 -0.107 3.852 3.960 -0.001 0.000 0.214 580 G HA3 -0.107 3.852 3.960 -0.001 0.000 0.214 580 G C 0.044 175.102 174.900 0.263 0.000 1.138 580 G CA 0.221 45.420 45.100 0.166 0.000 0.794 580 G HN -0.044 nan 8.290 nan 0.000 0.535 581 D N 0.257 120.765 120.400 0.180 0.000 2.274 581 D HA 0.262 4.901 4.640 -0.001 0.000 0.239 581 D C 1.550 177.882 176.300 0.053 0.000 1.104 581 D CA -0.503 53.558 54.000 0.103 0.000 0.840 581 D CB 1.518 42.358 40.800 0.067 0.000 1.100 581 D HN -0.036 nan 8.370 nan 0.000 0.477 582 L N 3.567 124.761 121.223 -0.049 0.000 2.265 582 L HA -0.144 4.195 4.340 -0.001 0.000 0.215 582 L C 1.824 178.683 176.870 -0.018 0.000 1.117 582 L CA 0.515 55.269 54.840 -0.143 0.000 0.782 582 L CB -0.271 41.687 42.059 -0.169 0.000 0.914 582 L HN 0.385 nan 8.230 nan 0.000 0.441 583 N N -0.490 118.222 118.700 0.019 0.000 2.396 583 N HA -0.133 4.606 4.740 -0.001 0.000 0.180 583 N C 1.676 177.216 175.510 0.051 0.000 1.028 583 N CA 1.307 54.378 53.050 0.036 0.000 0.893 583 N CB 0.225 38.731 38.487 0.032 0.000 0.967 583 N HN 0.312 nan 8.380 nan 0.000 0.440 584 S N -2.014 113.728 115.700 0.070 0.000 2.604 584 S HA 0.200 4.669 4.470 -0.001 0.000 0.235 584 S C 0.376 175.070 174.600 0.156 0.000 1.043 584 S CA -0.534 57.726 58.200 0.100 0.000 0.997 584 S CB -0.070 63.186 63.200 0.093 0.000 0.956 584 S HN 0.004 nan 8.310 nan 0.000 0.535 585 V N 4.634 124.643 119.914 0.159 0.000 2.655 585 V HA 0.334 4.453 4.120 -0.001 0.000 0.300 585 V C -2.592 173.583 176.094 0.135 0.000 1.044 585 V CA -1.844 60.584 62.300 0.215 0.000 1.095 585 V CB 0.573 32.541 31.823 0.240 0.000 0.952 585 V HN 0.185 nan 8.190 nan 0.000 0.485 586 P HA 0.190 nan 4.420 nan 0.000 0.271 586 P C 0.475 177.802 177.300 0.044 0.000 1.216 586 P CA 0.028 63.172 63.100 0.075 0.000 0.771 586 P CB 0.522 32.259 31.700 0.062 0.000 0.864 587 E N 1.638 121.865 120.200 0.044 0.000 2.204 587 E HA -0.208 4.141 4.350 -0.001 0.000 0.195 587 E C 1.046 177.654 176.600 0.013 0.000 0.990 587 E CA 1.285 57.704 56.400 0.032 0.000 0.821 587 E CB -0.123 29.598 29.700 0.034 0.000 0.750 587 E HN 0.626 nan 8.360 nan 0.000 0.477 588 D N 0.223 120.630 120.400 0.012 0.000 2.371 588 D HA -0.136 4.504 4.640 -0.001 0.000 0.221 588 D C 1.372 177.684 176.300 0.020 0.000 0.986 588 D CA 0.664 54.667 54.000 0.005 0.000 0.899 588 D CB -0.094 40.712 40.800 0.010 0.000 0.902 588 D HN 0.244 nan 8.370 nan 0.000 0.530 589 L N -0.316 120.909 121.223 0.003 0.000 2.858 589 L HA 0.349 4.688 4.340 -0.001 0.000 0.251 589 L C 1.979 178.839 176.870 -0.016 0.000 1.149 589 L CA -0.264 54.587 54.840 0.019 0.000 0.955 589 L CB 0.359 42.296 42.059 -0.204 0.000 1.289 589 L HN -0.060 nan 8.230 nan 0.000 0.542 590 I N 0.563 121.136 120.570 0.005 0.000 2.226 590 I HA -0.277 3.892 4.170 -0.001 0.000 0.245 590 I C 1.964 178.102 176.117 0.035 0.000 1.100 590 I CA 1.641 62.982 61.300 0.069 0.000 1.374 590 I CB 0.252 38.268 38.000 0.027 0.000 1.057 590 I HN 0.259 nan 8.210 nan 0.000 0.413 591 L N -0.912 120.253 121.223 -0.096 0.000 2.552 591 L HA -0.105 4.234 4.340 -0.001 0.000 0.227 591 L C 1.793 178.524 176.870 -0.231 0.000 1.146 591 L CA 0.372 55.125 54.840 -0.145 0.000 0.858 591 L CB -0.517 41.426 42.059 -0.193 0.000 0.969 591 L HN 0.393 nan 8.230 nan 0.000 0.451 592 W N -0.538 120.493 121.300 -0.448 0.000 2.425 592 W HA -0.136 4.523 4.660 -0.002 0.000 0.277 592 W C 1.697 177.764 176.519 -0.754 0.000 1.231 592 W CA 0.711 57.606 57.345 -0.749 0.000 1.248 592 W CB 0.011 28.658 29.460 -1.354 0.000 1.117 592 W HN 0.086 nan 8.180 nan 0.000 0.568 593 F N -4.030 115.950 119.950 0.051 0.000 2.778 593 F HA 0.211 4.737 4.527 -0.001 0.000 0.314 593 F C 0.541 176.111 175.800 -0.383 0.000 1.073 593 F CA -0.190 57.698 58.000 -0.186 0.000 1.218 593 F CB -0.417 38.424 39.000 -0.264 0.000 1.037 593 F HN -0.280 nan 8.300 nan 0.000 0.594 594 H N -0.967 118.182 119.070 0.131 0.000 2.600 594 H HA 0.275 4.830 4.556 -0.001 0.000 0.357 594 H C -1.122 174.206 175.328 -0.000 0.000 1.106 594 H CA -0.730 55.350 56.048 0.053 0.000 1.193 594 H CB 1.787 31.538 29.762 -0.019 0.000 1.594 594 H HN -0.037 nan 8.280 nan 0.000 0.526 595 H N 3.257 122.332 119.070 0.008 0.000 2.594 595 H HA 0.405 4.960 4.556 -0.002 0.000 0.304 595 H C -0.937 174.325 175.328 -0.110 0.000 1.068 595 H CA -0.265 55.731 56.048 -0.086 0.000 1.308 595 H CB 0.190 29.879 29.762 -0.121 0.000 1.409 595 H HN 0.363 nan 8.280 nan 0.000 0.460 596 L N 3.572 124.472 121.223 -0.538 0.000 2.354 596 L HA 0.335 4.674 4.340 -0.001 0.000 0.269 596 L C 0.199 176.774 176.870 -0.493 0.000 1.005 596 L CA -1.141 53.450 54.840 -0.414 0.000 0.819 596 L CB 2.016 43.837 42.059 -0.396 0.000 1.311 596 L HN 0.610 nan 8.230 nan 0.000 0.423 597 S N 0.578 116.126 115.700 -0.253 0.000 2.579 597 S HA 0.050 4.519 4.470 -0.001 0.000 0.275 597 S C 0.695 175.235 174.600 -0.100 0.000 1.345 597 S CA -0.057 58.039 58.200 -0.173 0.000 1.031 597 S CB 0.421 63.614 63.200 -0.012 0.000 0.892 597 S HN 0.559 nan 8.310 nan 0.000 0.529 598 W N 1.088 122.396 121.300 0.014 0.000 2.387 598 W HA -0.021 4.638 4.660 -0.002 0.000 0.272 598 W C 1.518 178.097 176.519 0.101 0.000 1.224 598 W CA 0.305 57.692 57.345 0.069 0.000 1.210 598 W CB -0.022 29.469 29.460 0.052 0.000 1.125 598 W HN 0.678 nan 8.180 nan 0.000 0.572 599 D N -1.434 119.132 120.400 0.277 0.000 2.340 599 D HA -0.056 4.583 4.640 -0.001 0.000 0.220 599 D C 0.141 176.529 176.300 0.147 0.000 1.039 599 D CA 0.510 54.622 54.000 0.188 0.000 0.866 599 D CB -0.526 40.353 40.800 0.131 0.000 0.913 599 D HN 0.160 nan 8.370 nan 0.000 0.523 600 H N 1.641 120.746 119.070 0.059 0.000 3.034 600 H HA 0.036 4.591 4.556 -0.002 0.000 0.324 600 H C 0.120 175.469 175.328 0.034 0.000 1.015 600 H CA 0.317 56.376 56.048 0.019 0.000 1.429 600 H CB 0.384 30.130 29.762 -0.026 0.000 1.429 600 H HN -0.245 nan 8.280 nan 0.000 0.585 601 R N 5.634 125.822 120.500 -0.519 0.000 2.221 601 R HA 0.180 4.519 4.340 -0.001 0.000 0.327 601 R C -0.066 175.921 176.300 -0.522 0.000 1.033 601 R CA -0.748 55.130 56.100 -0.370 0.000 0.887 601 R CB 0.871 31.049 30.300 -0.204 0.000 1.057 601 R HN 0.642 nan 8.270 nan 0.000 0.455 602 M N 1.903 121.349 119.600 -0.257 0.000 2.245 602 M HA 0.107 4.586 4.480 -0.001 0.000 0.292 602 M C 1.669 177.911 176.300 -0.097 0.000 1.176 602 M CA 0.037 55.252 55.300 -0.142 0.000 1.035 602 M CB 0.565 33.142 32.600 -0.038 0.000 1.440 602 M HN 0.501 nan 8.290 nan 0.000 0.494 603 Q N 0.411 120.182 119.800 -0.048 0.000 2.197 603 Q HA -0.159 4.181 4.340 -0.001 0.000 0.207 603 Q C 1.794 177.769 176.000 -0.042 0.000 0.984 603 Q CA 2.100 57.883 55.803 -0.034 0.000 0.869 603 Q CB -0.164 28.569 28.738 -0.009 0.000 0.906 603 Q HN 0.884 nan 8.270 nan 0.000 0.426 604 S N -1.385 114.284 115.700 -0.051 0.000 2.474 604 S HA 0.010 4.479 4.470 -0.001 0.000 0.235 604 S C 1.557 176.114 174.600 -0.071 0.000 0.997 604 S CA 0.805 58.964 58.200 -0.069 0.000 0.949 604 S CB 0.169 63.305 63.200 -0.106 0.000 0.766 604 S HN 0.578 nan 8.310 nan 0.000 0.517 605 G N 1.045 109.805 108.800 -0.067 0.000 2.234 605 G HA2 -0.252 3.707 3.960 -0.001 0.000 0.235 605 G HA3 -0.252 3.707 3.960 -0.001 0.000 0.235 605 G C 0.232 175.100 174.900 -0.054 0.000 0.997 605 G CA -0.080 44.984 45.100 -0.059 0.000 0.623 605 G HN 0.590 nan 8.290 nan 0.000 0.514 606 R N 1.323 121.787 120.500 -0.060 0.000 2.594 606 R HA 0.375 4.714 4.340 -0.001 0.000 0.272 606 R C 0.903 177.196 176.300 -0.012 0.000 1.074 606 R CA 0.168 56.248 56.100 -0.034 0.000 1.105 606 R CB 0.267 30.538 30.300 -0.049 0.000 1.008 606 R HN 0.639 nan 8.270 nan 0.000 0.472 607 N N 1.319 120.042 118.700 0.038 0.000 2.317 607 N HA -0.067 4.673 4.740 -0.001 0.000 0.245 607 N C 0.721 176.321 175.510 0.149 0.000 1.294 607 N CA -0.401 52.703 53.050 0.089 0.000 0.924 607 N CB 0.345 38.923 38.487 0.151 0.000 1.186 607 N HN 0.465 nan 8.380 nan 0.000 0.495 608 L N -0.364 121.000 121.223 0.236 0.000 2.083 608 L HA 0.011 4.350 4.340 -0.001 0.000 0.209 608 L C 1.925 179.051 176.870 0.426 0.000 1.083 608 L CA 1.349 56.362 54.840 0.289 0.000 0.752 608 L CB -0.807 41.419 42.059 0.277 0.000 0.899 608 L HN 0.779 nan 8.230 nan 0.000 0.433 609 W N 0.372 121.901 121.300 0.381 0.000 2.355 609 W HA -0.269 4.390 4.660 -0.002 0.000 0.309 609 W C 2.134 178.701 176.519 0.081 0.000 1.206 609 W CA 1.820 59.265 57.345 0.166 0.000 1.284 609 W CB -0.247 29.135 29.460 -0.129 0.000 1.145 609 W HN 0.315 nan 8.180 nan 0.000 0.502 610 Q N 0.175 119.922 119.800 -0.087 0.000 2.124 610 Q HA -0.280 4.059 4.340 -0.001 0.000 0.202 610 Q C 2.047 177.974 176.000 -0.123 0.000 0.977 610 Q CA 2.128 57.819 55.803 -0.185 0.000 0.850 610 Q CB -0.359 28.388 28.738 0.014 0.000 0.901 610 Q HN 0.236 nan 8.270 nan 0.000 0.429 611 E N 0.969 121.152 120.200 -0.027 0.000 2.106 611 E HA -0.163 4.186 4.350 -0.001 0.000 0.192 611 E C 1.757 178.361 176.600 0.005 0.000 0.984 611 E CA 0.647 57.056 56.400 0.015 0.000 0.806 611 E CB -0.184 29.534 29.700 0.030 0.000 0.750 611 E HN 0.346 nan 8.360 nan 0.000 0.458 612 L N -0.417 120.784 121.223 -0.038 0.000 2.017 612 L HA -0.167 4.172 4.340 -0.001 0.000 0.208 612 L C 2.141 178.980 176.870 -0.051 0.000 1.073 612 L CA 1.313 56.137 54.840 -0.027 0.000 0.745 612 L CB -0.268 41.815 42.059 0.040 0.000 0.894 612 L HN 0.091 nan 8.230 nan 0.000 0.432 613 V N -0.329 119.380 119.914 -0.341 0.000 2.287 613 V HA -0.355 3.764 4.120 -0.001 0.000 0.248 613 V C 2.465 178.439 176.094 -0.199 0.000 1.053 613 V CA 2.246 64.323 62.300 -0.373 0.000 1.027 613 V CB -0.992 30.372 31.823 -0.764 0.000 0.646 613 V HN 0.655 nan 8.190 nan 0.000 0.447 614 H N 0.533 119.479 119.070 -0.207 0.000 2.352 614 H HA -0.130 4.426 4.556 -0.001 0.000 0.299 614 H C 2.270 177.614 175.328 0.026 0.000 1.097 614 H CA 1.767 57.800 56.048 -0.026 0.000 1.311 614 H CB 0.062 29.851 29.762 0.045 0.000 1.377 614 H HN 0.166 nan 8.280 nan 0.000 0.504 615 K N -0.200 120.207 120.400 0.011 0.000 2.057 615 K HA -0.138 4.181 4.320 -0.001 0.000 0.206 615 K C 2.163 178.684 176.600 -0.132 0.000 1.050 615 K CA 1.251 57.483 56.287 -0.093 0.000 0.935 615 K CB -0.679 31.737 32.500 -0.140 0.000 0.715 615 K HN 0.409 nan 8.250 nan 0.000 0.439 616 Y N 0.072 120.340 120.300 -0.054 0.000 2.145 616 Y HA -0.233 4.316 4.550 -0.002 0.000 0.286 616 Y C 2.350 178.194 175.900 -0.093 0.000 1.145 616 Y CA 1.512 59.581 58.100 -0.052 0.000 1.148 616 Y CB -0.634 37.795 38.460 -0.051 0.000 0.981 616 Y HN 0.064 nan 8.280 nan 0.000 0.507 617 Y N -0.246 120.023 120.300 -0.051 0.000 2.242 617 Y HA -0.276 4.274 4.550 -0.001 0.000 0.291 617 Y C 2.686 178.542 175.900 -0.073 0.000 1.137 617 Y CA 1.769 59.821 58.100 -0.081 0.000 1.181 617 Y CB -0.650 37.714 38.460 -0.160 0.000 0.989 617 Y HN 0.196 nan 8.280 nan 0.000 0.527 618 Q N -0.182 119.597 119.800 -0.036 0.000 2.124 618 Q HA -0.142 4.197 4.340 -0.001 0.000 0.202 618 Q C 2.480 178.475 176.000 -0.009 0.000 0.977 618 Q CA 1.546 57.299 55.803 -0.083 0.000 0.850 618 Q CB -0.511 28.116 28.738 -0.185 0.000 0.901 618 Q HN 0.528 nan 8.270 nan 0.000 0.429 619 G N 0.029 108.839 108.800 0.017 0.000 2.418 619 G HA2 -0.227 3.732 3.960 -0.001 0.000 0.217 619 G HA3 -0.227 3.732 3.960 -0.001 0.000 0.217 619 G C 1.410 176.397 174.900 0.144 0.000 1.158 619 G CA 0.986 46.162 45.100 0.126 0.000 0.771 619 G HN 0.298 nan 8.290 nan 0.000 0.545 620 V N 0.704 120.636 119.914 0.031 0.000 2.295 620 V HA -0.123 3.996 4.120 -0.001 0.000 0.246 620 V C 2.817 178.894 176.094 -0.028 0.000 1.049 620 V CA 1.939 64.194 62.300 -0.075 0.000 1.024 620 V CB -0.296 31.448 31.823 -0.131 0.000 0.648 620 V HN 0.288 nan 8.190 nan 0.000 0.447 621 E N -0.045 120.163 120.200 0.012 0.000 2.153 621 E HA -0.241 4.108 4.350 -0.001 0.000 0.194 621 E C 2.263 178.875 176.600 0.019 0.000 0.988 621 E CA 1.221 57.636 56.400 0.025 0.000 0.811 621 E CB -0.257 29.469 29.700 0.043 0.000 0.746 621 E HN 0.696 nan 8.360 nan 0.000 0.466 622 Q N 0.113 119.928 119.800 0.025 0.000 2.119 622 Q HA -0.087 4.252 4.340 -0.001 0.000 0.201 622 Q C 2.359 178.371 176.000 0.020 0.000 0.972 622 Q CA 1.168 56.987 55.803 0.027 0.000 0.847 622 Q CB 0.010 28.769 28.738 0.035 0.000 0.903 622 Q HN 0.100 nan 8.270 nan 0.000 0.433 623 V N 0.962 120.884 119.914 0.013 0.000 2.295 623 V HA -0.286 3.833 4.120 -0.001 0.000 0.246 623 V C 2.147 178.225 176.094 -0.027 0.000 1.049 623 V CA 1.909 64.195 62.300 -0.025 0.000 1.024 623 V CB -0.517 31.245 31.823 -0.102 0.000 0.648 623 V HN 0.300 nan 8.190 nan 0.000 0.447 624 R N 0.267 120.755 120.500 -0.021 0.000 2.091 624 R HA -0.141 4.198 4.340 -0.001 0.000 0.238 624 R C 2.442 178.752 176.300 0.016 0.000 1.136 624 R CA 1.525 57.623 56.100 -0.003 0.000 0.959 624 R CB -0.658 29.645 30.300 0.004 0.000 0.856 624 R HN 0.541 nan 8.270 nan 0.000 0.437 625 A N 1.090 123.921 122.820 0.019 0.000 1.933 625 A HA -0.162 4.157 4.320 -0.001 0.000 0.218 625 A C 2.184 179.787 177.584 0.032 0.000 1.175 625 A CA 1.355 53.408 52.037 0.027 0.000 0.628 625 A CB -0.420 18.594 19.000 0.024 0.000 0.814 625 A HN 0.188 nan 8.150 nan 0.000 0.444 626 M N -0.914 118.696 119.600 0.017 0.000 2.108 626 M HA -0.245 4.234 4.480 -0.001 0.000 0.261 626 M C 2.437 178.771 176.300 0.058 0.000 1.066 626 M CA 1.720 57.028 55.300 0.014 0.000 1.107 626 M CB -0.637 31.938 32.600 -0.040 0.000 1.356 626 M HN 0.520 nan 8.290 nan 0.000 0.406 627 Q N -0.066 119.761 119.800 0.044 0.000 2.061 627 Q HA -0.175 4.164 4.340 -0.001 0.000 0.204 627 Q C 2.166 178.245 176.000 0.132 0.000 0.984 627 Q CA 1.456 57.309 55.803 0.083 0.000 0.846 627 Q CB -0.217 28.548 28.738 0.044 0.000 0.902 627 Q HN 0.522 nan 8.270 nan 0.000 0.421 628 R N -0.207 120.350 120.500 0.094 0.000 2.081 628 R HA -0.089 4.251 4.340 -0.001 0.000 0.235 628 R C 2.421 178.787 176.300 0.110 0.000 1.131 628 R CA 1.638 57.794 56.100 0.093 0.000 0.960 628 R CB -0.455 29.883 30.300 0.063 0.000 0.856 628 R HN 0.242 nan 8.270 nan 0.000 0.436 629 T N 0.539 115.159 114.554 0.109 0.000 2.652 629 T HA -0.232 4.117 4.350 -0.001 0.000 0.267 629 T C 1.271 176.077 174.700 0.176 0.000 1.039 629 T CA 1.321 63.487 62.100 0.111 0.000 1.153 629 T CB -0.322 68.598 68.868 0.087 0.000 0.863 629 T HN 0.487 nan 8.240 nan 0.000 0.428 630 W N 2.060 123.383 121.300 0.038 0.000 2.358 630 W HA -0.165 4.494 4.660 -0.002 0.000 0.303 630 W C 1.529 178.205 176.519 0.261 0.000 1.208 630 W CA 1.269 58.668 57.345 0.091 0.000 1.274 630 W CB -0.229 29.220 29.460 -0.020 0.000 1.138 630 W HN 0.267 nan 8.180 nan 0.000 0.515 631 D N 0.148 120.693 120.400 0.241 0.000 2.221 631 D HA -0.209 4.430 4.640 -0.001 0.000 0.204 631 D C 1.951 178.328 176.300 0.129 0.000 0.982 631 D CA 1.458 55.614 54.000 0.261 0.000 0.857 631 D CB -0.534 40.390 40.800 0.206 0.000 0.934 631 D HN 0.407 nan 8.370 nan 0.000 0.475 632 Q N -0.285 119.561 119.800 0.077 0.000 2.488 632 Q HA -0.037 4.302 4.340 -0.001 0.000 0.211 632 Q C 0.997 177.016 176.000 0.033 0.000 0.967 632 Q CA 0.557 56.385 55.803 0.041 0.000 0.926 632 Q CB 0.276 29.050 28.738 0.059 0.000 0.992 632 Q HN 0.195 nan 8.270 nan 0.000 0.506 633 Q N -0.384 119.403 119.800 -0.022 0.000 2.247 633 Q HA 0.024 4.363 4.340 -0.001 0.000 0.204 633 Q C 0.795 176.664 176.000 -0.219 0.000 0.872 633 Q CA 0.149 55.979 55.803 0.046 0.000 0.951 633 Q CB 0.523 29.237 28.738 -0.039 0.000 1.099 633 Q HN 0.450 nan 8.270 nan 0.000 0.501 634 E N 1.296 121.191 120.200 -0.509 0.000 2.160 634 E HA -0.173 4.176 4.350 -0.001 0.000 0.195 634 E C 1.473 177.695 176.600 -0.630 0.000 0.991 634 E CA 1.168 56.961 56.400 -1.012 0.000 0.810 634 E CB 0.208 29.246 29.700 -1.103 0.000 0.742 634 E HN 0.350 nan 8.360 nan 0.000 0.466 635 A N -0.476 122.014 122.820 -0.551 0.000 2.119 635 A HA -0.116 4.203 4.320 -0.001 0.000 0.217 635 A C 1.088 178.330 177.584 -0.569 0.000 1.153 635 A CA 0.854 52.539 52.037 -0.587 0.000 0.692 635 A CB -0.276 18.289 19.000 -0.725 0.000 0.799 635 A HN 0.368 nan 8.150 nan 0.000 0.458 636 Y N -1.693 118.465 120.300 -0.236 0.000 2.442 636 Y HA 0.330 4.879 4.550 -0.002 0.000 0.250 636 Y C 0.356 176.048 175.900 -0.346 0.000 1.113 636 Y CA -0.455 57.473 58.100 -0.286 0.000 1.273 636 Y CB 0.389 38.645 38.460 -0.341 0.000 1.138 636 Y HN -0.010 nan 8.280 nan 0.000 0.522 637 V N 1.997 121.829 119.914 -0.137 0.000 2.628 637 V HA 0.163 4.283 4.120 -0.001 0.000 0.306 637 V C -0.256 175.869 176.094 0.052 0.000 1.045 637 V CA -1.621 60.675 62.300 -0.007 0.000 0.905 637 V CB 1.694 33.564 31.823 0.078 0.000 0.997 637 V HN 0.209 nan 8.190 nan 0.000 0.436 638 D N 3.216 123.694 120.400 0.130 0.000 2.419 638 D HA 0.048 4.687 4.640 -0.001 0.000 0.236 638 D C 1.116 177.525 176.300 0.181 0.000 1.165 638 D CA 0.344 54.412 54.000 0.114 0.000 0.882 638 D CB 1.797 42.665 40.800 0.113 0.000 1.201 638 D HN 0.562 nan 8.370 nan 0.000 0.443 639 A N 2.435 125.331 122.820 0.127 0.000 1.972 639 A HA -0.009 4.310 4.320 -0.001 0.000 0.219 639 A C 2.237 179.971 177.584 0.251 0.000 1.169 639 A CA 2.131 54.271 52.037 0.171 0.000 0.635 639 A CB -0.766 18.290 19.000 0.094 0.000 0.810 639 A HN 0.756 nan 8.150 nan 0.000 0.446 640 A N -0.132 122.806 122.820 0.198 0.000 1.840 640 A HA -0.099 4.220 4.320 -0.001 0.000 0.214 640 A C 2.243 179.968 177.584 0.235 0.000 1.198 640 A CA 1.366 53.513 52.037 0.183 0.000 0.608 640 A CB -0.462 18.616 19.000 0.130 0.000 0.839 640 A HN 0.507 nan 8.150 nan 0.000 0.443 641 R N -1.889 118.783 120.500 0.287 0.000 2.096 641 R HA -0.090 4.249 4.340 -0.001 0.000 0.235 641 R C 1.982 178.570 176.300 0.481 0.000 1.127 641 R CA 1.415 57.738 56.100 0.371 0.000 0.968 641 R CB -0.506 30.075 30.300 0.469 0.000 0.861 641 R HN 0.582 nan 8.270 nan 0.000 0.440 642 F N 1.596 121.793 119.950 0.410 0.000 2.069 642 F HA -0.252 4.274 4.527 -0.002 0.000 0.298 642 F C 2.300 178.377 175.800 0.462 0.000 1.113 642 F CA 1.680 59.972 58.000 0.487 0.000 1.214 642 F CB -0.428 38.682 39.000 0.184 0.000 0.978 642 F HN -0.013 nan 8.300 nan 0.000 0.474 643 A N -0.262 122.718 122.820 0.267 0.000 1.933 643 A HA -0.250 4.069 4.320 -0.001 0.000 0.218 643 A C 2.258 179.871 177.584 0.048 0.000 1.175 643 A CA 1.720 53.836 52.037 0.131 0.000 0.628 643 A CB -1.041 18.074 19.000 0.190 0.000 0.814 643 A HN 0.646 nan 8.150 nan 0.000 0.444 644 Q N -0.275 119.576 119.800 0.085 0.000 2.046 644 Q HA -0.126 4.214 4.340 -0.001 0.000 0.200 644 Q C 1.956 177.915 176.000 -0.069 0.000 0.975 644 Q CA 2.032 57.853 55.803 0.029 0.000 0.836 644 Q CB -0.179 28.599 28.738 0.066 0.000 0.896 644 Q HN 0.395 nan 8.270 nan 0.000 0.428 645 V N 1.363 121.218 119.914 -0.098 0.000 2.427 645 V HA -0.239 3.880 4.120 -0.001 0.000 0.248 645 V C 2.405 178.260 176.094 -0.397 0.000 1.051 645 V CA 2.032 64.116 62.300 -0.361 0.000 1.048 645 V CB -0.615 30.790 31.823 -0.698 0.000 0.666 645 V HN 0.394 nan 8.190 nan 0.000 0.456 646 K N 0.523 120.774 120.400 -0.248 0.000 2.032 646 K HA -0.222 4.097 4.320 -0.001 0.000 0.209 646 K C 2.171 178.721 176.600 -0.083 0.000 1.048 646 K CA 1.783 57.992 56.287 -0.130 0.000 0.927 646 K CB -0.349 32.045 32.500 -0.177 0.000 0.712 646 K HN 0.420 nan 8.250 nan 0.000 0.441 647 A N 1.270 124.051 122.820 -0.064 0.000 1.877 647 A HA -0.110 4.209 4.320 -0.001 0.000 0.216 647 A C 2.147 179.709 177.584 -0.036 0.000 1.186 647 A CA 1.377 53.398 52.037 -0.026 0.000 0.620 647 A CB -0.642 18.357 19.000 -0.001 0.000 0.822 647 A HN 0.334 nan 8.150 nan 0.000 0.443 648 L N -0.660 120.518 121.223 -0.074 0.000 2.083 648 L HA -0.174 4.165 4.340 -0.001 0.000 0.209 648 L C 2.490 179.338 176.870 -0.036 0.000 1.083 648 L CA 0.931 55.741 54.840 -0.050 0.000 0.752 648 L CB -0.560 41.408 42.059 -0.151 0.000 0.899 648 L HN 0.357 nan 8.230 nan 0.000 0.433 649 L N -0.741 120.428 121.223 -0.089 0.000 2.131 649 L HA -0.230 4.109 4.340 -0.001 0.000 0.210 649 L C 2.693 179.518 176.870 -0.075 0.000 1.092 649 L CA 1.162 55.946 54.840 -0.094 0.000 0.759 649 L CB -0.429 41.554 42.059 -0.127 0.000 0.903 649 L HN 0.350 nan 8.230 nan 0.000 0.435 650 Q N -0.782 118.990 119.800 -0.047 0.000 2.084 650 Q HA -0.172 4.167 4.340 -0.001 0.000 0.202 650 Q C 2.358 178.337 176.000 -0.035 0.000 0.978 650 Q CA 1.475 57.261 55.803 -0.028 0.000 0.844 650 Q CB -0.201 28.536 28.738 -0.002 0.000 0.898 650 Q HN 0.355 nan 8.270 nan 0.000 0.426 651 V N 1.034 120.935 119.914 -0.021 0.000 2.343 651 V HA -0.311 3.808 4.120 -0.001 0.000 0.247 651 V C 2.329 178.365 176.094 -0.097 0.000 1.051 651 V CA 2.146 64.444 62.300 -0.003 0.000 1.036 651 V CB -0.674 31.188 31.823 0.064 0.000 0.654 651 V HN 0.413 nan 8.190 nan 0.000 0.451 652 Q N -0.184 119.499 119.800 -0.195 0.000 2.096 652 Q HA -0.269 4.070 4.340 -0.001 0.000 0.204 652 Q C 2.436 178.201 176.000 -0.392 0.000 0.982 652 Q CA 2.014 57.533 55.803 -0.473 0.000 0.850 652 Q CB -0.218 28.291 28.738 -0.381 0.000 0.901 652 Q HN 0.658 nan 8.270 nan 0.000 0.422 653 E N 0.713 120.774 120.200 -0.233 0.000 2.077 653 E HA -0.238 4.111 4.350 -0.001 0.000 0.193 653 E C 2.026 178.528 176.600 -0.164 0.000 0.989 653 E CA 1.146 57.426 56.400 -0.201 0.000 0.800 653 E CB -0.128 29.505 29.700 -0.111 0.000 0.746 653 E HN 0.313 nan 8.360 nan 0.000 0.452 654 R N 0.229 120.670 120.500 -0.098 0.000 2.081 654 R HA -0.124 4.215 4.340 -0.001 0.000 0.235 654 R C 2.160 178.442 176.300 -0.031 0.000 1.131 654 R CA 1.448 57.527 56.100 -0.035 0.000 0.960 654 R CB 0.032 30.339 30.300 0.011 0.000 0.856 654 R HN 0.066 nan 8.270 nan 0.000 0.436 655 E N 0.096 120.258 120.200 -0.063 0.000 2.107 655 E HA -0.115 4.234 4.350 -0.001 0.000 0.191 655 E C 1.827 178.445 176.600 0.029 0.000 0.982 655 E CA 1.104 57.513 56.400 0.015 0.000 0.809 655 E CB -0.100 29.639 29.700 0.065 0.000 0.756 655 E HN 0.444 nan 8.360 nan 0.000 0.459 656 A N 0.978 123.630 122.820 -0.280 0.000 1.933 656 A HA -0.124 4.195 4.320 -0.001 0.000 0.218 656 A C 2.584 180.034 177.584 -0.223 0.000 1.175 656 A CA 1.227 52.909 52.037 -0.591 0.000 0.628 656 A CB -0.610 17.661 19.000 -1.215 0.000 0.814 656 A HN 0.124 nan 8.150 nan 0.000 0.444 657 V N -0.007 119.811 119.914 -0.159 0.000 2.343 657 V HA -0.271 3.848 4.120 -0.001 0.000 0.247 657 V C 2.646 178.705 176.094 -0.058 0.000 1.051 657 V CA 2.352 64.591 62.300 -0.101 0.000 1.036 657 V CB -0.791 31.003 31.823 -0.049 0.000 0.654 657 V HN 0.680 nan 8.190 nan 0.000 0.451 658 R N -1.413 119.093 120.500 0.010 0.000 2.081 658 R HA -0.217 4.122 4.340 -0.001 0.000 0.235 658 R C 2.153 178.403 176.300 -0.084 0.000 1.131 658 R CA 2.188 58.295 56.100 0.012 0.000 0.960 658 R CB -0.352 29.985 30.300 0.060 0.000 0.856 658 R HN 0.554 nan 8.270 nan 0.000 0.436 659 W N 0.805 122.037 121.300 -0.114 0.000 2.333 659 W HA -0.170 4.489 4.660 -0.002 0.000 0.316 659 W C 2.689 179.122 176.519 -0.143 0.000 1.215 659 W CA 1.895 59.191 57.345 -0.083 0.000 1.278 659 W CB -0.336 29.172 29.460 0.079 0.000 1.154 659 W HN 0.129 nan 8.180 nan 0.000 0.486 660 R N 0.381 120.953 120.500 0.122 0.000 2.094 660 R HA -0.224 4.115 4.340 -0.001 0.000 0.239 660 R C 1.832 177.949 176.300 -0.305 0.000 1.137 660 R CA 2.172 58.220 56.100 -0.087 0.000 0.943 660 R CB -0.761 29.412 30.300 -0.212 0.000 0.850 660 R HN 0.145 nan 8.270 nan 0.000 0.433 661 N N 0.212 118.698 118.700 -0.356 0.000 2.120 661 N HA -0.094 4.645 4.740 -0.001 0.000 0.188 661 N C 1.839 177.012 175.510 -0.562 0.000 1.024 661 N CA 1.674 54.427 53.050 -0.494 0.000 0.852 661 N CB -0.392 37.672 38.487 -0.705 0.000 1.003 661 N HN 0.160 nan 8.380 nan 0.000 0.424 662 S N 0.044 115.411 115.700 -0.555 0.000 2.356 662 S HA -0.101 4.368 4.470 -0.001 0.000 0.223 662 S C 2.257 176.797 174.600 -0.099 0.000 1.032 662 S CA 0.956 59.021 58.200 -0.225 0.000 1.005 662 S CB -0.374 62.752 63.200 -0.123 0.000 0.867 662 S HN 0.453 nan 8.310 nan 0.000 0.449 663 C N 0.701 119.843 119.300 -0.264 0.000 2.486 663 C HA 0.117 4.576 4.460 -0.001 0.000 0.279 663 C C 2.673 177.513 174.990 -0.250 0.000 1.302 663 C CA 0.020 58.833 59.018 -0.342 0.000 1.720 663 C CB -1.150 26.267 27.740 -0.537 0.000 2.030 663 C HN 0.392 nan 8.230 nan 0.000 0.490 664 V N 1.235 120.958 119.914 -0.318 0.000 2.343 664 V HA -0.204 3.915 4.120 -0.001 0.000 0.247 664 V C 2.330 178.487 176.094 0.106 0.000 1.051 664 V CA 1.814 64.068 62.300 -0.078 0.000 1.036 664 V CB -0.606 31.162 31.823 -0.091 0.000 0.654 664 V HN 0.544 nan 8.190 nan 0.000 0.451 665 L N -1.345 119.902 121.223 0.039 0.000 2.093 665 L HA -0.188 4.151 4.340 -0.001 0.000 0.208 665 L C 2.476 179.404 176.870 0.096 0.000 1.085 665 L CA 1.845 56.741 54.840 0.094 0.000 0.755 665 L CB -0.679 41.442 42.059 0.103 0.000 0.904 665 L HN 0.438 nan 8.230 nan 0.000 0.435 666 Y N 0.411 120.709 120.300 -0.003 0.000 2.133 666 Y HA -0.261 4.288 4.550 -0.001 0.000 0.287 666 Y C 2.296 178.159 175.900 -0.060 0.000 1.134 666 Y CA 1.402 59.477 58.100 -0.041 0.000 1.133 666 Y CB -0.523 37.863 38.460 -0.123 0.000 0.987 666 Y HN -0.041 nan 8.280 nan 0.000 0.502 667 F N 1.038 120.942 119.950 -0.077 0.000 2.216 667 F HA -0.205 4.321 4.527 -0.001 0.000 0.300 667 F C 2.759 178.447 175.800 -0.186 0.000 1.085 667 F CA 1.797 59.740 58.000 -0.095 0.000 1.326 667 F CB -1.127 38.031 39.000 0.264 0.000 1.027 667 F HN 0.224 nan 8.300 nan 0.000 0.497 668 Q N 0.486 120.347 119.800 0.101 0.000 2.084 668 Q HA -0.211 4.128 4.340 -0.001 0.000 0.202 668 Q C 2.383 178.225 176.000 -0.263 0.000 0.978 668 Q CA 2.188 57.871 55.803 -0.200 0.000 0.844 668 Q CB -0.190 28.590 28.738 0.069 0.000 0.898 668 Q HN 0.455 nan 8.270 nan 0.000 0.426 669 S N -1.039 114.552 115.700 -0.181 0.000 2.419 669 S HA -0.094 4.375 4.470 -0.001 0.000 0.233 669 S C 1.817 176.307 174.600 -0.184 0.000 1.016 669 S CA 1.265 59.368 58.200 -0.161 0.000 0.974 669 S CB -0.245 62.888 63.200 -0.111 0.000 0.786 669 S HN 0.257 nan 8.310 nan 0.000 0.492 670 V N 1.621 121.390 119.914 -0.241 0.000 2.426 670 V HA 0.201 4.320 4.120 -0.001 0.000 0.242 670 V C 3.036 179.064 176.094 -0.111 0.000 1.036 670 V CA 1.290 63.517 62.300 -0.122 0.000 1.044 670 V CB -1.067 30.718 31.823 -0.063 0.000 0.688 670 V HN 0.629 nan 8.190 nan 0.000 0.462 671 A N -0.227 122.405 122.820 -0.314 0.000 2.016 671 A HA 0.297 4.616 4.320 -0.001 0.000 0.217 671 A C 1.955 179.210 177.584 -0.549 0.000 1.162 671 A CA 1.118 52.806 52.037 -0.582 0.000 0.662 671 A CB -0.717 17.355 19.000 -1.547 0.000 0.812 671 A HN 1.291 nan 8.150 nan 0.000 0.450 672 G N -0.408 108.094 108.800 -0.496 0.000 2.295 672 G HA2 -0.258 3.701 3.960 -0.001 0.000 0.287 672 G HA3 -0.258 3.701 3.960 -0.001 0.000 0.287 672 G C 0.067 174.694 174.900 -0.455 0.000 1.055 672 G CA 0.571 45.446 45.100 -0.375 0.000 0.922 672 G HN 0.698 nan 8.290 nan 0.000 0.503 673 R N 0.019 120.078 120.500 -0.736 0.000 2.803 673 R HA 0.612 4.951 4.340 -0.001 0.000 0.276 673 R C -2.464 173.615 176.300 -0.369 0.000 0.978 673 R CA -2.019 53.673 56.100 -0.681 0.000 0.939 673 R CB 2.203 31.746 30.300 -1.262 0.000 1.179 673 R HN 0.137 nan 8.270 nan 0.000 0.472 674 P HA 0.180 nan 4.420 nan 0.000 0.278 674 P C -0.367 177.145 177.300 0.354 0.000 1.238 674 P CA -0.270 62.895 63.100 0.108 0.000 0.794 674 P CB 0.680 32.423 31.700 0.073 0.000 0.955 675 I N 3.656 124.404 120.570 0.298 0.000 2.517 675 I HA 0.082 4.251 4.170 -0.001 0.000 0.285 675 I C -1.780 174.456 176.117 0.199 0.000 1.106 675 I CA -1.791 59.654 61.300 0.243 0.000 1.402 675 I CB -0.270 37.824 38.000 0.156 0.000 1.399 675 I HN 0.159 nan 8.210 nan 0.000 0.535 676 P HA -0.081 nan 4.420 nan 0.000 0.264 676 P C 0.434 177.799 177.300 0.108 0.000 1.179 676 P CA 0.117 63.323 63.100 0.176 0.000 0.763 676 P CB 0.756 32.575 31.700 0.198 0.000 0.806 677 A N 4.208 127.045 122.820 0.027 0.000 2.024 677 A HA -0.220 4.099 4.320 -0.001 0.000 0.220 677 A C 1.814 179.363 177.584 -0.059 0.000 1.164 677 A CA 1.704 53.740 52.037 -0.002 0.000 0.643 677 A CB -1.098 17.897 19.000 -0.009 0.000 0.806 677 A HN 0.736 nan 8.150 nan 0.000 0.451 678 N N -1.150 117.449 118.700 -0.170 0.000 2.381 678 N HA -0.119 4.620 4.740 -0.001 0.000 0.182 678 N C -0.141 175.189 175.510 -0.299 0.000 1.025 678 N CA 0.536 53.429 53.050 -0.261 0.000 0.888 678 N CB -0.405 37.856 38.487 -0.376 0.000 0.965 678 N HN 0.476 nan 8.380 nan 0.000 0.438 679 Y N 1.607 121.810 120.300 -0.161 0.000 2.301 679 Y HA 0.173 4.722 4.550 -0.001 0.000 0.328 679 Y C 0.831 176.681 175.900 -0.083 0.000 1.242 679 Y CA -1.050 56.890 58.100 -0.267 0.000 1.323 679 Y CB 0.537 38.549 38.460 -0.748 0.000 1.266 679 Y HN 0.015 nan 8.280 nan 0.000 0.527 680 E N 3.011 123.354 120.200 0.239 0.000 2.351 680 E HA -0.005 4.344 4.350 -0.001 0.000 0.266 680 E C -0.800 175.955 176.600 0.258 0.000 1.031 680 E CA -0.641 55.891 56.400 0.220 0.000 0.911 680 E CB 0.452 30.287 29.700 0.224 0.000 0.986 680 E HN 0.456 nan 8.360 nan 0.000 0.446 681 Q N 4.618 124.514 119.800 0.161 0.000 2.304 681 Q HA 0.224 4.563 4.340 -0.001 0.000 0.260 681 Q C -2.102 173.977 176.000 0.130 0.000 0.965 681 Q CA -1.944 53.947 55.803 0.148 0.000 0.898 681 Q CB 0.507 29.300 28.738 0.091 0.000 1.196 681 Q HN 0.481 nan 8.270 nan 0.000 0.402 682 P HA 0.009 nan 4.420 nan 0.000 0.265 682 P C 0.166 177.506 177.300 0.067 0.000 1.193 682 P CA 0.171 63.350 63.100 0.132 0.000 0.765 682 P CB 0.643 32.444 31.700 0.167 0.000 0.823 683 E N 0.433 120.615 120.200 -0.030 0.000 2.299 683 E HA -0.075 4.274 4.350 -0.001 0.000 0.193 683 E C 0.011 176.435 176.600 -0.294 0.000 0.998 683 E CA 0.590 56.866 56.400 -0.206 0.000 0.851 683 E CB 0.009 29.487 29.700 -0.370 0.000 0.795 683 E HN 0.654 nan 8.360 nan 0.000 0.492 684 H N 0.189 119.231 119.070 -0.046 0.000 2.595 684 H HA 0.107 4.662 4.556 -0.001 0.000 0.346 684 H C -0.215 175.154 175.328 0.069 0.000 1.181 684 H CA -1.110 54.838 56.048 -0.168 0.000 1.242 684 H CB 1.100 30.486 29.762 -0.626 0.000 1.652 684 H HN 0.014 nan 8.280 nan 0.000 0.548 685 D N 0.258 120.775 120.400 0.195 0.000 2.478 685 D HA -0.000 4.639 4.640 -0.001 0.000 0.263 685 D C 1.044 177.503 176.300 0.265 0.000 1.153 685 D CA -0.753 53.359 54.000 0.187 0.000 1.038 685 D CB 0.704 41.560 40.800 0.093 0.000 1.120 685 D HN 0.354 nan 8.370 nan 0.000 0.564 686 L N -0.280 121.053 121.223 0.184 0.000 2.083 686 L HA -0.107 4.233 4.340 -0.001 0.000 0.209 686 L C 1.951 178.829 176.870 0.013 0.000 1.083 686 L CA 1.911 56.844 54.840 0.154 0.000 0.752 686 L CB -1.022 41.081 42.059 0.073 0.000 0.899 686 L HN 0.545 nan 8.230 nan 0.000 0.433 687 E N -1.016 119.168 120.200 -0.026 0.000 2.118 687 E HA -0.323 4.026 4.350 -0.001 0.000 0.195 687 E C 2.146 178.680 176.600 -0.111 0.000 0.992 687 E CA 1.653 57.991 56.400 -0.102 0.000 0.804 687 E CB -0.687 28.978 29.700 -0.059 0.000 0.741 687 E HN 0.666 nan 8.360 nan 0.000 0.458 688 Y N -0.389 119.790 120.300 -0.202 0.000 2.181 688 Y HA -0.276 4.273 4.550 -0.001 0.000 0.288 688 Y C 1.735 177.362 175.900 -0.456 0.000 1.146 688 Y CA 2.047 59.930 58.100 -0.361 0.000 1.164 688 Y CB -0.505 37.666 38.460 -0.481 0.000 0.982 688 Y HN 0.085 nan 8.280 nan 0.000 0.515 689 Y N 0.398 120.658 120.300 -0.066 0.000 2.373 689 Y HA -0.109 4.440 4.550 -0.002 0.000 0.293 689 Y C 2.284 178.076 175.900 -0.181 0.000 1.129 689 Y CA 1.372 59.408 58.100 -0.105 0.000 1.226 689 Y CB -0.359 38.145 38.460 0.075 0.000 1.000 689 Y HN 0.062 nan 8.280 nan 0.000 0.549 690 K N -0.504 119.712 120.400 -0.306 0.000 2.057 690 K HA -0.192 4.127 4.320 -0.001 0.000 0.206 690 K C 2.200 178.665 176.600 -0.225 0.000 1.050 690 K CA 1.356 57.366 56.287 -0.462 0.000 0.935 690 K CB -0.231 31.845 32.500 -0.707 0.000 0.715 690 K HN 0.252 nan 8.250 nan 0.000 0.439 691 M N 1.350 120.789 119.600 -0.267 0.000 2.117 691 M HA -0.144 4.335 4.480 -0.001 0.000 0.262 691 M C 1.858 178.002 176.300 -0.260 0.000 1.065 691 M CA 1.651 56.800 55.300 -0.252 0.000 1.114 691 M CB -0.404 32.018 32.600 -0.297 0.000 1.361 691 M HN 0.151 nan 8.290 nan 0.000 0.408 692 L N 0.220 121.219 121.223 -0.373 0.000 2.131 692 L HA -0.168 4.171 4.340 -0.001 0.000 0.210 692 L C 2.685 179.504 176.870 -0.085 0.000 1.092 692 L CA 1.118 55.795 54.840 -0.271 0.000 0.759 692 L CB -1.070 40.801 42.059 -0.313 0.000 0.903 692 L HN 0.364 nan 8.230 nan 0.000 0.435 693 A N 0.177 122.995 122.820 -0.004 0.000 1.972 693 A HA -0.185 4.134 4.320 -0.001 0.000 0.219 693 A C 2.365 179.976 177.584 0.045 0.000 1.169 693 A CA 1.348 53.425 52.037 0.068 0.000 0.635 693 A CB -0.390 18.776 19.000 0.277 0.000 0.810 693 A HN 0.352 nan 8.150 nan 0.000 0.446 694 R N -0.904 119.604 120.500 0.014 0.000 2.193 694 R HA -0.033 4.307 4.340 -0.001 0.000 0.213 694 R C 1.732 178.037 176.300 0.008 0.000 1.055 694 R CA 1.555 57.663 56.100 0.014 0.000 0.995 694 R CB -0.151 30.143 30.300 -0.010 0.000 0.893 694 R HN 0.717 nan 8.270 nan 0.000 0.459 695 T N -3.945 110.601 114.554 -0.013 0.000 3.010 695 T HA 0.116 4.465 4.350 -0.001 0.000 0.257 695 T C 0.726 175.448 174.700 0.037 0.000 1.020 695 T CA -0.238 61.861 62.100 -0.001 0.000 0.938 695 T CB 0.523 69.365 68.868 -0.043 0.000 1.049 695 T HN -0.190 nan 8.240 nan 0.000 0.522 696 T N 3.267 117.848 114.554 0.046 0.000 2.794 696 T HA 0.290 4.639 4.350 -0.001 0.000 0.296 696 T C -0.653 174.139 174.700 0.155 0.000 0.949 696 T CA -0.389 61.771 62.100 0.100 0.000 1.101 696 T CB 0.035 68.960 68.868 0.094 0.000 0.905 696 T HN 0.349 nan 8.240 nan 0.000 0.516 697 Y N 4.405 124.738 120.300 0.055 0.000 2.810 697 Y HA 0.146 4.696 4.550 -0.001 0.000 0.332 697 Y C -0.150 175.754 175.900 0.008 0.000 1.243 697 Y CA -0.110 58.013 58.100 0.038 0.000 1.537 697 Y CB 0.255 38.732 38.460 0.029 0.000 1.265 697 Y HN 0.339 nan 8.280 nan 0.000 0.572 698 V N 9.974 129.510 119.914 -0.629 0.000 2.334 698 V HA 0.227 4.346 4.120 -0.001 0.000 0.267 698 V C -1.975 173.575 176.094 -0.907 0.000 1.040 698 V CA -1.616 60.342 62.300 -0.571 0.000 0.866 698 V CB 1.072 32.782 31.823 -0.188 0.000 1.019 698 V HN 0.713 nan 8.190 nan 0.000 0.468 699 P HA 0.290 nan 4.420 nan 0.000 0.219 699 P C -0.381 176.989 177.300 0.116 0.000 1.832 699 P CA 0.142 63.070 63.100 -0.287 0.000 1.014 699 P CB 0.372 32.036 31.700 -0.060 0.000 1.939 700 E N 2.394 122.631 120.200 0.062 0.000 2.291 700 E HA 0.279 4.628 4.350 -0.001 0.000 0.276 700 E C -2.282 174.382 176.600 0.107 0.000 0.896 700 E CA -2.264 54.219 56.400 0.138 0.000 0.774 700 E CB 2.306 32.079 29.700 0.122 0.000 1.227 700 E HN -0.099 nan 8.360 nan 0.000 0.413 701 P HA -0.108 nan 4.420 nan 0.000 0.215 701 P C 0.837 178.206 177.300 0.115 0.000 1.157 701 P CA 0.799 63.965 63.100 0.109 0.000 0.868 701 P CB -0.005 31.756 31.700 0.102 0.000 0.788 702 W N -0.006 121.272 121.300 -0.036 0.000 2.355 702 W HA -0.102 4.556 4.660 -0.002 0.000 0.309 702 W C 1.178 177.677 176.519 -0.033 0.000 1.206 702 W CA 1.351 58.672 57.345 -0.041 0.000 1.284 702 W CB -0.717 28.701 29.460 -0.069 0.000 1.145 702 W HN -0.062 nan 8.180 nan 0.000 0.502 703 H N 1.221 120.187 119.070 -0.174 0.000 2.722 703 H HA 0.079 4.634 4.556 -0.002 0.000 0.328 703 H C -1.653 173.446 175.328 -0.381 0.000 1.067 703 H CA -1.123 54.594 56.048 -0.552 0.000 1.447 703 H CB 1.485 31.150 29.762 -0.162 0.000 1.469 703 H HN -0.125 nan 8.280 nan 0.000 0.544 704 P HA -0.145 nan 4.420 nan 0.000 0.220 704 P C 1.078 178.308 177.300 -0.117 0.000 1.144 704 P CA 1.660 64.511 63.100 -0.415 0.000 0.800 704 P CB 0.073 31.483 31.700 -0.482 0.000 0.772 705 A N 0.150 123.056 122.820 0.143 0.000 2.024 705 A HA -0.197 4.122 4.320 -0.001 0.000 0.220 705 A C 2.272 179.885 177.584 0.048 0.000 1.164 705 A CA 2.059 54.183 52.037 0.145 0.000 0.643 705 A CB -1.539 17.582 19.000 0.202 0.000 0.806 705 A HN 0.364 nan 8.150 nan 0.000 0.451 706 S N -0.856 114.852 115.700 0.015 0.000 2.469 706 S HA -0.045 4.424 4.470 -0.001 0.000 0.238 706 S C 1.522 176.168 174.600 0.077 0.000 0.998 706 S CA 1.364 59.539 58.200 -0.042 0.000 0.957 706 S CB -0.317 62.844 63.200 -0.064 0.000 0.764 706 S HN 0.380 nan 8.310 nan 0.000 0.514 707 S N 1.021 116.743 115.700 0.038 0.000 2.556 707 S HA 0.293 4.762 4.470 -0.001 0.000 0.216 707 S C 0.630 175.253 174.600 0.039 0.000 0.970 707 S CA -0.218 58.007 58.200 0.041 0.000 0.912 707 S CB 0.118 63.315 63.200 -0.005 0.000 0.790 707 S HN 0.573 nan 8.310 nan 0.000 0.504 708 S N 1.751 117.477 115.700 0.043 0.000 2.525 708 S HA 0.148 4.617 4.470 -0.001 0.000 0.285 708 S C 0.859 175.488 174.600 0.048 0.000 1.283 708 S CA -0.263 57.960 58.200 0.038 0.000 1.072 708 S CB 0.287 63.512 63.200 0.042 0.000 0.867 708 S HN 0.368 nan 8.310 nan 0.000 0.492 709 R N 3.130 123.649 120.500 0.032 0.000 2.388 709 R HA 0.173 4.513 4.340 -0.001 0.000 0.247 709 R C -0.196 176.117 176.300 0.022 0.000 0.931 709 R CA -0.216 55.901 56.100 0.029 0.000 1.082 709 R CB 0.170 30.481 30.300 0.019 0.000 1.135 709 R HN 0.438 nan 8.270 nan 0.000 0.525 710 V N 1.832 121.759 119.914 0.022 0.000 2.599 710 V HA -0.066 4.053 4.120 -0.001 0.000 0.300 710 V C 1.134 177.233 176.094 0.008 0.000 1.034 710 V CA 0.912 63.220 62.300 0.013 0.000 1.115 710 V CB 0.899 32.731 31.823 0.014 0.000 0.934 710 V HN 0.381 nan 8.190 nan 0.000 0.485 711 L N 4.451 125.672 121.223 -0.002 0.000 3.086 711 L HA 0.370 4.709 4.340 -0.001 0.000 0.274 711 L C 0.698 177.553 176.870 -0.025 0.000 1.184 711 L CA 0.258 55.092 54.840 -0.010 0.000 1.002 711 L CB 0.199 42.255 42.059 -0.004 0.000 1.383 711 L HN 0.578 nan 8.230 nan 0.000 0.582 712 K N 0.000 120.382 120.400 -0.030 0.000 2.780 712 K HA 0.000 4.319 4.320 -0.001 0.000 0.191 712 K CA 0.000 56.260 56.287 -0.044 0.000 0.838 712 K CB 0.000 32.481 32.500 -0.031 0.000 1.064 712 K HN 0.000 nan 8.250 nan 0.000 0.543