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_A 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 RAXXXXXXXX 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 0.000 176.634 176.600 0.056 0.000 1.382 5 E CA 0.000 56.419 56.400 0.031 0.000 0.976 5 E CB 0.000 29.711 29.700 0.018 0.000 0.812 6 D N 0.926 121.362 120.400 0.061 0.000 2.479 6 D HA 0.231 2.140 4.640 -4.552 0.000 0.218 6 D C 1.224 177.588 176.300 0.107 0.000 1.177 6 D CA 0.273 54.322 54.000 0.082 0.000 0.830 6 D CB 0.738 41.580 40.800 0.070 0.000 1.014 6 D HN 0.750 nan 8.370 nan 0.000 0.503 7 G N 0.531 109.376 108.800 0.075 0.000 2.253 7 G HA2 -0.490 0.739 3.960 -4.552 0.000 0.251 7 G HA3 -0.490 0.739 3.960 -4.552 0.000 0.251 7 G C 0.885 175.867 174.900 0.137 0.000 0.998 7 G CA 0.361 45.506 45.100 0.074 0.000 0.621 7 G HN 0.343 nan 8.290 nan 0.000 0.524 8 Y N 2.038 122.387 120.300 0.082 0.000 2.193 8 Y HA -0.069 1.754 4.550 -4.545 0.000 0.285 8 Y C 2.271 178.282 175.900 0.186 0.000 1.166 8 Y CA 2.463 60.680 58.100 0.194 0.000 1.181 8 Y CB 0.032 38.531 38.460 0.066 0.000 0.976 8 Y HN 0.344 nan 8.280 nan 0.000 0.520 9 D N -0.208 120.170 120.400 -0.036 0.000 2.347 9 D HA -0.103 1.806 4.640 -4.552 0.000 0.215 9 D C 1.486 177.480 176.300 -0.511 0.000 0.976 9 D CA 0.997 54.842 54.000 -0.259 0.000 0.884 9 D CB 0.030 40.713 40.800 -0.195 0.000 0.915 9 D HN 0.369 nan 8.370 nan 0.000 0.526 10 M N -0.745 118.581 119.600 -0.457 0.000 7.319 10 M HA -0.296 1.453 4.480 -4.552 0.000 0.305 10 M C 1.122 177.117 176.300 -0.509 0.000 0.480 10 M CA 1.906 56.850 55.300 -0.593 0.000 1.311 10 M CB -2.003 29.877 32.600 -1.201 0.000 0.421 10 M HN 0.376 nan 8.290 nan 0.000 0.673 11 W N 1.543 122.607 121.300 -0.395 0.000 3.290 11 W HA 0.591 2.513 4.660 -4.563 0.000 0.287 11 W C 0.702 176.990 176.519 -0.385 0.000 1.288 11 W CA -0.210 56.879 57.345 -0.426 0.000 1.725 11 W CB -0.557 28.680 29.460 -0.372 0.000 1.103 11 W HN 0.287 nan 8.180 nan 0.000 0.670 12 L N 2.814 123.720 121.223 -0.528 0.000 2.719 12 L HA 0.389 1.998 4.340 -4.552 0.000 0.236 12 L C 0.216 176.559 176.870 -0.879 0.000 1.285 12 L CA -0.246 54.201 54.840 -0.655 0.000 1.222 12 L CB -0.366 41.340 42.059 -0.588 0.000 1.493 12 L HN -0.111 nan 8.230 nan 0.000 0.415 13 R N 0.667 120.821 120.500 -0.576 0.000 2.230 13 R HA 0.237 1.846 4.340 -4.552 0.000 0.337 13 R C -1.054 175.103 176.300 -0.238 0.000 1.063 13 R CA -0.485 55.386 56.100 -0.381 0.000 0.935 13 R CB 0.529 30.677 30.300 -0.252 0.000 1.121 13 R HN 0.156 nan 8.270 nan 0.000 0.486 14 Y N 2.330 122.610 120.300 -0.034 0.000 2.817 14 Y HA 0.191 2.010 4.550 -4.551 0.000 0.339 14 Y C 0.336 176.221 175.900 -0.024 0.000 1.281 14 Y CA -0.628 57.456 58.100 -0.026 0.000 1.564 14 Y CB 0.122 38.572 38.460 -0.018 0.000 1.628 14 Y HN 0.325 nan 8.280 nan 0.000 0.489 15 Q N 2.117 121.974 119.800 0.096 0.000 2.226 15 Q HA 0.419 2.028 4.340 -4.552 0.000 0.256 15 Q C -2.482 173.546 176.000 0.046 0.000 0.962 15 Q CA -2.376 53.456 55.803 0.048 0.000 0.887 15 Q CB 1.328 30.072 28.738 0.010 0.000 1.282 15 Q HN 0.188 nan 8.270 nan 0.000 0.449 16 P HA -0.044 nan 4.420 nan 0.000 0.265 16 P C -0.503 176.821 177.300 0.040 0.000 1.193 16 P CA 0.032 63.152 63.100 0.033 0.000 0.765 16 P CB 0.326 32.041 31.700 0.024 0.000 0.823 17 I N 2.467 123.073 120.570 0.061 0.000 2.821 17 I HA -0.120 1.319 4.170 -4.552 0.000 0.294 17 I C 1.655 177.808 176.117 0.061 0.000 1.210 17 I CA 0.619 61.971 61.300 0.086 0.000 1.430 17 I CB -0.386 37.718 38.000 0.174 0.000 1.356 17 I HN 0.483 nan 8.210 nan 0.000 0.563 18 A N 5.753 128.600 122.820 0.045 0.000 2.016 18 A HA -0.081 1.508 4.320 -4.552 0.000 0.217 18 A C 1.051 178.648 177.584 0.022 0.000 1.162 18 A CA 0.438 52.491 52.037 0.026 0.000 0.662 18 A CB -0.177 18.832 19.000 0.017 0.000 0.812 18 A HN 0.752 nan 8.150 nan 0.000 0.450 19 D N 0.296 120.712 120.400 0.027 0.000 2.338 19 D HA 0.089 1.998 4.640 -4.552 0.000 0.255 19 D C 0.623 176.924 176.300 0.003 0.000 1.237 19 D CA -0.091 53.914 54.000 0.009 0.000 0.883 19 D CB 0.715 41.516 40.800 0.002 0.000 1.087 19 D HN 0.204 nan 8.370 nan 0.000 0.485 20 Q N 2.273 122.069 119.800 -0.006 0.000 2.167 20 Q HA -0.085 1.524 4.340 -4.552 0.000 0.202 20 Q C 1.738 177.721 176.000 -0.028 0.000 0.970 20 Q CA 1.113 56.910 55.803 -0.010 0.000 0.855 20 Q CB -0.269 28.462 28.738 -0.012 0.000 0.911 20 Q HN 0.532 nan 8.270 nan 0.000 0.438 21 T N 1.852 116.381 114.554 -0.041 0.000 2.737 21 T HA -0.112 1.507 4.350 -4.552 0.000 0.265 21 T C 1.850 176.489 174.700 -0.102 0.000 1.038 21 T CA 0.768 62.830 62.100 -0.063 0.000 1.144 21 T CB -0.272 68.560 68.868 -0.059 0.000 0.866 21 T HN 0.062 nan 8.240 nan 0.000 0.434 22 L N 1.262 122.413 121.223 -0.120 0.000 2.042 22 L HA 0.012 1.621 4.340 -4.552 0.000 0.210 22 L C 2.203 178.930 176.870 -0.239 0.000 1.076 22 L CA 1.398 56.093 54.840 -0.242 0.000 0.749 22 L CB -1.092 40.844 42.059 -0.205 0.000 0.893 22 L HN 0.205 nan 8.230 nan 0.000 0.432 23 L N -0.422 120.779 121.223 -0.036 0.000 2.042 23 L HA -0.245 1.364 4.340 -4.552 0.000 0.210 23 L C 2.432 179.319 176.870 0.029 0.000 1.076 23 L CA 1.884 56.774 54.840 0.083 0.000 0.749 23 L CB -0.687 41.413 42.059 0.068 0.000 0.893 23 L HN 0.235 nan 8.230 nan 0.000 0.432 24 K N -1.347 119.033 120.400 -0.034 0.000 2.097 24 K HA -0.114 1.475 4.320 -4.552 0.000 0.206 24 K C 1.892 178.446 176.600 -0.076 0.000 1.049 24 K CA 1.760 58.018 56.287 -0.049 0.000 0.933 24 K CB -0.370 32.096 32.500 -0.057 0.000 0.717 24 K HN 0.398 nan 8.250 nan 0.000 0.442 25 T N 0.489 114.963 114.554 -0.133 0.000 2.708 25 T HA -0.148 1.471 4.350 -4.552 0.000 0.266 25 T C 1.506 176.149 174.700 -0.096 0.000 1.037 25 T CA 1.304 63.306 62.100 -0.163 0.000 1.146 25 T CB -0.335 68.383 68.868 -0.249 0.000 0.865 25 T HN 0.138 nan 8.240 nan 0.000 0.435 26 Y N 1.967 122.249 120.300 -0.030 0.000 2.165 26 Y HA -0.122 1.697 4.550 -4.551 0.000 0.286 26 Y C 2.689 178.562 175.900 -0.045 0.000 1.155 26 Y CA 0.564 58.650 58.100 -0.024 0.000 1.164 26 Y CB -0.891 37.561 38.460 -0.013 0.000 0.978 26 Y HN 0.342 nan 8.280 nan 0.000 0.513 27 Q N -0.008 119.853 119.800 0.102 0.000 2.170 27 Q HA -0.181 1.428 4.340 -4.552 0.000 0.203 27 Q C 2.014 177.977 176.000 -0.061 0.000 0.976 27 Q CA 1.408 57.216 55.803 0.008 0.000 0.858 27 Q CB -0.134 28.597 28.738 -0.012 0.000 0.907 27 Q HN 0.495 nan 8.270 nan 0.000 0.433 28 K N 0.340 120.681 120.400 -0.098 0.000 2.155 28 K HA -0.113 1.476 4.320 -4.552 0.000 0.203 28 K C 1.989 178.434 176.600 -0.257 0.000 1.052 28 K CA 0.939 57.088 56.287 -0.230 0.000 0.948 28 K CB 0.062 32.412 32.500 -0.249 0.000 0.728 28 K HN 0.271 nan 8.250 nan 0.000 0.448 29 Q N 0.136 119.906 119.800 -0.051 0.000 2.137 29 Q HA 0.037 1.646 4.340 -4.552 0.000 0.198 29 Q C 0.291 176.392 176.000 0.169 0.000 0.960 29 Q CA 0.629 56.499 55.803 0.111 0.000 0.847 29 Q CB 0.449 29.277 28.738 0.149 0.000 0.915 29 Q HN 0.137 nan 8.270 nan 0.000 0.448 30 I N 0.917 121.539 120.570 0.087 0.000 2.502 30 I HA 0.232 1.671 4.170 -4.552 0.000 0.276 30 I C 0.337 176.439 176.117 -0.025 0.000 1.057 30 I CA 0.122 61.458 61.300 0.059 0.000 1.163 30 I CB 1.040 39.059 38.000 0.032 0.000 1.288 30 I HN 0.141 nan 8.210 nan 0.000 0.479 31 R N 2.761 123.216 120.500 -0.073 0.000 2.282 31 R HA 0.228 1.838 4.340 -4.552 0.000 0.195 31 R C -0.080 175.836 176.300 -0.641 0.000 0.909 31 R CA 0.329 56.224 56.100 -0.341 0.000 1.039 31 R CB 0.553 30.620 30.300 -0.387 0.000 1.015 31 R HN 0.536 nan 8.270 nan 0.000 0.513 32 H N -0.742 118.367 119.070 0.066 0.000 3.016 32 H HA 0.272 2.097 4.556 -4.552 0.000 0.362 32 H C -1.627 173.730 175.328 0.049 0.000 1.233 32 H CA -1.019 55.061 56.048 0.054 0.000 1.124 32 H CB 2.029 31.834 29.762 0.072 0.000 1.850 32 H HN -0.157 nan 8.280 nan 0.000 0.549 33 L N 2.287 123.610 121.223 0.166 0.000 2.372 33 L HA 0.259 1.868 4.340 -4.552 0.000 0.273 33 L C -0.914 176.013 176.870 0.095 0.000 0.989 33 L CA -0.289 54.607 54.840 0.093 0.000 0.841 33 L CB 0.789 42.861 42.059 0.021 0.000 1.225 33 L HN 0.607 nan 8.230 nan 0.000 0.414 34 H N 5.370 124.455 119.070 0.025 0.000 2.541 34 H HA 0.621 2.446 4.556 -4.552 0.000 0.316 34 H C -1.670 173.654 175.328 -0.007 0.000 1.043 34 H CA -0.358 55.694 56.048 0.007 0.000 1.232 34 H CB 1.455 31.221 29.762 0.006 0.000 1.406 34 H HN 0.452 nan 8.280 nan 0.000 0.469 35 V N 5.589 125.346 119.914 -0.261 0.000 2.419 35 V HA 0.256 1.645 4.120 -4.552 0.000 0.287 35 V C 0.864 176.841 176.094 -0.195 0.000 1.017 35 V CA -0.133 62.095 62.300 -0.120 0.000 0.844 35 V CB 0.919 32.690 31.823 -0.086 0.000 1.011 35 V HN 0.906 nan 8.190 nan 0.000 0.429 36 A N 3.617 126.395 122.820 -0.070 0.000 1.935 36 A HA 0.417 2.006 4.320 -4.552 0.000 0.214 36 A C 1.463 179.031 177.584 -0.027 0.000 1.178 36 A CA 0.997 53.012 52.037 -0.037 0.000 0.640 36 A CB -0.303 18.748 19.000 0.086 0.000 0.825 36 A HN 0.964 nan 8.150 nan 0.000 0.447 37 G N -0.139 108.652 108.800 -0.015 0.000 2.634 37 G HA2 0.378 1.607 3.960 -4.552 0.000 0.255 37 G HA3 0.378 1.607 3.960 -4.552 0.000 0.255 37 G C -0.097 174.785 174.900 -0.030 0.000 1.205 37 G CA 0.482 45.573 45.100 -0.016 0.000 0.884 37 G HN 0.413 nan 8.290 nan 0.000 0.549 38 D N -2.149 118.237 120.400 -0.024 0.000 2.704 38 D HA 0.047 1.956 4.640 -4.552 0.000 0.291 38 D C 0.812 177.099 176.300 -0.022 0.000 1.610 38 D CA 0.026 54.010 54.000 -0.026 0.000 0.807 38 D CB -0.587 40.199 40.800 -0.022 0.000 1.233 38 D HN 0.453 nan 8.370 nan 0.000 0.445 39 S N -0.177 115.510 115.700 -0.022 0.000 2.600 39 S HA 0.330 2.069 4.470 -4.552 0.000 0.265 39 S C -1.461 173.119 174.600 -0.034 0.000 1.325 39 S CA -0.630 57.558 58.200 -0.020 0.000 1.002 39 S CB 1.478 64.668 63.200 -0.017 0.000 0.921 39 S HN -0.212 nan 8.310 nan 0.000 0.554 40 P HA -0.067 nan 4.420 nan 0.000 0.216 40 P C 1.403 178.643 177.300 -0.100 0.000 1.150 40 P CA 1.451 64.523 63.100 -0.047 0.000 0.843 40 P CB -0.269 31.419 31.700 -0.021 0.000 0.787 41 T N -0.642 113.856 114.554 -0.094 0.000 2.812 41 T HA -0.048 1.571 4.350 -4.552 0.000 0.264 41 T C 1.701 176.320 174.700 -0.134 0.000 1.042 41 T CA 0.819 62.836 62.100 -0.138 0.000 1.140 41 T CB -0.591 68.219 68.868 -0.096 0.000 0.870 41 T HN -0.028 nan 8.240 nan 0.000 0.445 42 I N 2.245 122.761 120.570 -0.090 0.000 2.315 42 I HA -0.104 1.335 4.170 -4.552 0.000 0.248 42 I C 2.081 178.145 176.117 -0.089 0.000 1.117 42 I CA 1.128 62.380 61.300 -0.081 0.000 1.404 42 I CB -1.117 36.852 38.000 -0.052 0.000 1.071 42 I HN 0.219 nan 8.210 nan 0.000 0.419 43 N N 1.450 120.100 118.700 -0.083 0.000 2.166 43 N HA -0.113 1.896 4.740 -4.552 0.000 0.186 43 N C 1.933 177.386 175.510 -0.094 0.000 1.019 43 N CA 1.566 54.572 53.050 -0.074 0.000 0.856 43 N CB -0.234 38.222 38.487 -0.052 0.000 0.993 43 N HN 0.355 nan 8.380 nan 0.000 0.426 44 A N 0.754 123.477 122.820 -0.161 0.000 1.930 44 A HA 0.091 1.680 4.320 -4.552 0.000 0.217 44 A C 2.344 179.838 177.584 -0.149 0.000 1.175 44 A CA 1.727 53.632 52.037 -0.220 0.000 0.627 44 A CB -0.753 17.860 19.000 -0.645 0.000 0.815 44 A HN 0.300 nan 8.150 nan 0.000 0.443 45 A N 0.010 122.729 122.820 -0.168 0.000 1.877 45 A HA 0.156 1.745 4.320 -4.552 0.000 0.216 45 A C 2.518 180.004 177.584 -0.163 0.000 1.186 45 A CA 2.110 54.035 52.037 -0.186 0.000 0.620 45 A CB -1.066 17.839 19.000 -0.158 0.000 0.822 45 A HN 1.043 nan 8.150 nan 0.000 0.443 46 A N -0.141 122.609 122.820 -0.116 0.000 1.902 46 A HA 0.134 1.723 4.320 -4.552 0.000 0.217 46 A C 2.507 180.039 177.584 -0.087 0.000 1.181 46 A CA 2.205 54.185 52.037 -0.094 0.000 0.623 46 A CB -1.028 17.928 19.000 -0.073 0.000 0.818 46 A HN 1.083 nan 8.150 nan 0.000 0.443 47 A N -0.577 122.205 122.820 -0.063 0.000 1.933 47 A HA -0.128 1.461 4.320 -4.552 0.000 0.218 47 A C 1.972 179.528 177.584 -0.046 0.000 1.175 47 A CA 2.098 54.118 52.037 -0.027 0.000 0.628 47 A CB -0.442 18.573 19.000 0.025 0.000 0.814 47 A HN 0.525 nan 8.150 nan 0.000 0.444 48 E N 0.121 120.272 120.200 -0.083 0.000 2.047 48 E HA -0.100 1.519 4.350 -4.552 0.000 0.191 48 E C 1.864 178.312 176.600 -0.254 0.000 0.987 48 E CA 1.161 57.474 56.400 -0.145 0.000 0.799 48 E CB -0.361 29.147 29.700 -0.321 0.000 0.752 48 E HN 0.585 nan 8.360 nan 0.000 0.449 49 L N 0.282 121.360 121.223 -0.243 0.000 2.083 49 L HA -0.199 1.410 4.340 -4.552 0.000 0.209 49 L C 2.765 179.515 176.870 -0.201 0.000 1.083 49 L CA 1.594 56.294 54.840 -0.235 0.000 0.752 49 L CB -0.423 41.531 42.059 -0.175 0.000 0.899 49 L HN 0.290 nan 8.230 nan 0.000 0.433 50 Q N 0.679 120.394 119.800 -0.142 0.000 2.020 50 Q HA -0.245 1.364 4.340 -4.552 0.000 0.202 50 Q C 2.388 178.313 176.000 -0.125 0.000 0.982 50 Q CA 2.045 57.785 55.803 -0.105 0.000 0.838 50 Q CB -0.046 28.655 28.738 -0.062 0.000 0.899 50 Q HN 0.487 nan 8.270 nan 0.000 0.423 51 R N -0.871 119.553 120.500 -0.127 0.000 2.092 51 R HA -0.031 1.578 4.340 -4.552 0.000 0.231 51 R C 2.139 178.266 176.300 -0.288 0.000 1.119 51 R CA 1.457 57.491 56.100 -0.110 0.000 0.970 51 R CB -0.796 29.506 30.300 0.002 0.000 0.864 51 R HN 0.288 nan 8.270 nan 0.000 0.440 52 G N 1.912 110.336 108.800 -0.627 0.000 2.394 52 G HA2 -0.120 1.109 3.960 -4.552 0.000 0.214 52 G HA3 -0.120 1.109 3.960 -4.552 0.000 0.214 52 G C 1.605 176.185 174.900 -0.533 0.000 1.176 52 G CA 0.489 44.870 45.100 -1.199 0.000 0.786 52 G HN 0.158 nan 8.290 nan 0.000 0.533 53 L N 0.920 121.936 121.223 -0.344 0.000 2.046 53 L HA -0.087 1.522 4.340 -4.552 0.000 0.208 53 L C 3.191 179.977 176.870 -0.139 0.000 1.077 53 L CA 1.183 55.899 54.840 -0.206 0.000 0.747 53 L CB -0.394 41.571 42.059 -0.157 0.000 0.896 53 L HN 0.167 nan 8.230 nan 0.000 0.432 54 S N 0.061 115.686 115.700 -0.125 0.000 2.368 54 S HA -0.127 1.612 4.470 -4.552 0.000 0.225 54 S C 2.020 176.594 174.600 -0.044 0.000 1.030 54 S CA 1.275 59.434 58.200 -0.069 0.000 0.999 54 S CB -0.592 62.577 63.200 -0.051 0.000 0.844 54 S HN 0.612 nan 8.310 nan 0.000 0.459 55 G N 1.517 110.292 108.800 -0.041 0.000 2.414 55 G HA2 -0.090 1.139 3.960 -4.552 0.000 0.215 55 G HA3 -0.090 1.139 3.960 -4.552 0.000 0.215 55 G C 1.345 176.259 174.900 0.023 0.000 1.188 55 G CA 0.495 45.610 45.100 0.024 0.000 0.783 55 G HN 0.423 nan 8.290 nan 0.000 0.537 56 L N -0.559 120.661 121.223 -0.005 0.000 2.093 56 L HA 0.053 1.662 4.340 -4.552 0.000 0.208 56 L C 2.317 179.181 176.870 -0.009 0.000 1.085 56 L CA 0.374 55.212 54.840 -0.005 0.000 0.755 56 L CB -0.142 41.881 42.059 -0.060 0.000 0.904 56 L HN 0.126 nan 8.230 nan 0.000 0.435 57 L N -0.947 120.259 121.223 -0.028 0.000 2.607 57 L HA 0.110 1.719 4.340 -4.552 0.000 0.228 57 L C 0.708 177.578 176.870 -0.000 0.000 1.123 57 L CA 0.250 55.087 54.840 -0.004 0.000 0.890 57 L CB -0.754 41.292 42.059 -0.023 0.000 1.103 57 L HN 0.268 nan 8.230 nan 0.000 0.468 58 N N 1.074 119.772 118.700 -0.003 0.000 2.740 58 N HA -0.246 1.763 4.740 -4.552 0.000 0.248 58 N C -0.400 175.105 175.510 -0.009 0.000 1.062 58 N CA 1.115 54.164 53.050 -0.001 0.000 0.704 58 N CB -0.605 37.886 38.487 0.006 0.000 0.968 58 N HN 0.614 nan 8.380 nan 0.000 0.547 59 K N -2.520 117.869 120.400 -0.017 0.000 2.575 59 K HA 0.562 2.151 4.320 -4.552 0.000 0.279 59 K C -3.374 173.211 176.600 -0.026 0.000 0.969 59 K CA -1.797 54.477 56.287 -0.021 0.000 0.868 59 K CB 1.501 33.984 32.500 -0.028 0.000 1.457 59 K HN -0.172 nan 8.250 nan 0.000 0.426 60 P HA 0.199 nan 4.420 nan 0.000 0.275 60 P C -0.609 176.677 177.300 -0.023 0.000 1.276 60 P CA -0.195 62.895 63.100 -0.018 0.000 0.782 60 P CB 0.142 31.838 31.700 -0.007 0.000 0.851 61 I N 4.831 125.383 120.570 -0.031 0.000 2.382 61 I HA 0.261 1.700 4.170 -4.552 0.000 0.285 61 I C -0.048 176.057 176.117 -0.020 0.000 1.007 61 I CA -0.830 60.453 61.300 -0.029 0.000 1.142 61 I CB 1.728 39.698 38.000 -0.051 0.000 1.289 61 I HN 0.013 nan 8.210 nan 0.000 0.453 62 V N 5.378 125.294 119.914 0.002 0.000 2.417 62 V HA 0.537 1.926 4.120 -4.552 0.000 0.291 62 V C 0.698 176.790 176.094 -0.003 0.000 1.024 62 V CA -0.883 61.416 62.300 -0.002 0.000 0.861 62 V CB 1.802 33.629 31.823 0.006 0.000 0.985 62 V HN 0.845 nan 8.190 nan 0.000 0.436 63 A N 6.350 129.156 122.820 -0.024 0.000 2.524 63 A HA 0.563 2.152 4.320 -4.552 0.000 0.250 63 A C 0.313 177.866 177.584 -0.052 0.000 1.078 63 A CA 0.226 52.239 52.037 -0.040 0.000 0.761 63 A CB -0.003 18.965 19.000 -0.052 0.000 1.012 63 A HN 0.858 nan 8.150 nan 0.000 0.500 64 R N 0.971 121.422 120.500 -0.082 0.000 2.771 64 R HA 0.390 1.999 4.340 -4.552 0.000 0.274 64 R C -1.699 174.446 176.300 -0.258 0.000 0.987 64 R CA -0.805 55.226 56.100 -0.116 0.000 0.908 64 R CB 1.963 32.225 30.300 -0.063 0.000 1.213 64 R HN 0.732 nan 8.270 nan 0.000 0.468 65 D N 2.595 122.856 120.400 -0.231 0.000 2.477 65 D HA 0.142 2.051 4.640 -4.552 0.000 0.239 65 D C -0.879 175.325 176.300 -0.161 0.000 1.102 65 D CA -0.240 53.575 54.000 -0.309 0.000 0.901 65 D CB 0.476 41.170 40.800 -0.177 0.000 1.026 65 D HN 0.548 nan 8.370 nan 0.000 0.515 66 E N 0.959 121.084 120.200 -0.124 0.000 2.458 66 E HA 0.340 1.959 4.350 -4.552 0.000 0.278 66 E C -0.725 175.944 176.600 0.114 0.000 1.004 66 E CA -1.252 55.150 56.400 0.003 0.000 0.823 66 E CB 1.084 30.773 29.700 -0.018 0.000 1.396 66 E HN -0.000 nan 8.360 nan 0.000 0.463 67 K N 1.166 121.602 120.400 0.059 0.000 2.484 67 K HA 0.032 1.621 4.320 -4.552 0.000 0.280 67 K C -0.190 176.432 176.600 0.037 0.000 1.013 67 K CA -0.419 55.896 56.287 0.047 0.000 1.029 67 K CB 0.304 32.808 32.500 0.008 0.000 0.902 67 K HN 0.491 nan 8.250 nan 0.000 0.481 68 L N 4.695 125.916 121.223 -0.003 0.000 2.540 68 L HA 0.004 1.613 4.340 -4.552 0.000 0.276 68 L C -0.486 176.346 176.870 -0.062 0.000 1.212 68 L CA 1.143 55.946 54.840 -0.062 0.000 0.893 68 L CB 0.202 42.158 42.059 -0.172 0.000 1.138 68 L HN 0.576 nan 8.230 nan 0.000 0.491 69 K N 3.286 123.638 120.400 -0.081 0.000 2.118 69 K HA 0.260 1.849 4.320 -4.552 0.000 0.254 69 K C -0.758 175.850 176.600 0.012 0.000 0.961 69 K CA -1.006 55.216 56.287 -0.108 0.000 0.876 69 K CB 1.009 33.250 32.500 -0.432 0.000 1.077 69 K HN 0.586 nan 8.250 nan 0.000 0.440 70 D N 0.762 121.202 120.400 0.066 0.000 2.455 70 D HA -0.035 1.874 4.640 -4.552 0.000 0.241 70 D C -0.788 175.655 176.300 0.237 0.000 1.138 70 D CA 0.822 54.866 54.000 0.073 0.000 0.877 70 D CB 0.125 41.003 40.800 0.131 0.000 1.187 70 D HN 0.425 nan 8.370 nan 0.000 0.451 71 Y N 0.315 120.721 120.300 0.177 0.000 3.128 71 Y HA -0.236 1.583 4.550 -4.552 0.000 0.187 71 Y C -0.020 175.972 175.900 0.153 0.000 1.597 71 Y CA 0.348 58.526 58.100 0.130 0.000 1.183 71 Y CB -1.859 36.631 38.460 0.049 0.000 1.454 71 Y HN 0.108 nan 8.280 nan 0.000 0.460 72 S N 0.422 116.242 115.700 0.200 0.000 2.578 72 S HA 0.732 2.471 4.470 -4.552 0.000 0.301 72 S C -0.449 174.221 174.600 0.118 0.000 1.091 72 S CA -0.905 57.407 58.200 0.188 0.000 1.032 72 S CB 2.029 65.323 63.200 0.157 0.000 1.064 72 S HN 0.305 nan 8.310 nan 0.000 0.508 73 L N 3.581 124.867 121.223 0.105 0.000 2.265 73 L HA 0.567 2.176 4.340 -4.552 0.000 0.288 73 L C -1.185 175.731 176.870 0.078 0.000 1.058 73 L CA -0.043 54.835 54.840 0.065 0.000 0.809 73 L CB 0.681 42.759 42.059 0.031 0.000 1.179 73 L HN 0.409 nan 8.230 nan 0.000 0.429 74 V N 7.059 127.006 119.914 0.055 0.000 2.409 74 V HA 0.475 1.864 4.120 -4.552 0.000 0.291 74 V C 0.032 176.158 176.094 0.052 0.000 1.020 74 V CA -0.543 61.797 62.300 0.068 0.000 0.848 74 V CB 1.319 33.134 31.823 -0.013 0.000 0.990 74 V HN 0.746 nan 8.190 nan 0.000 0.430 75 I N 2.146 122.758 120.570 0.069 0.000 2.740 75 I HA 1.091 2.530 4.170 -4.552 0.000 0.303 75 I C 0.122 176.265 176.117 0.044 0.000 1.044 75 I CA -0.304 61.016 61.300 0.035 0.000 1.064 75 I CB 2.309 40.308 38.000 -0.002 0.000 1.249 75 I HN 0.792 nan 8.210 nan 0.000 0.433 76 G N 2.760 111.578 108.800 0.032 0.000 2.359 76 G HA2 0.359 1.588 3.960 -4.552 0.000 0.293 76 G HA3 0.359 1.588 3.960 -4.552 0.000 0.293 76 G C -0.926 173.995 174.900 0.035 0.000 1.300 76 G CA -0.202 44.916 45.100 0.031 0.000 0.888 76 G HN 1.011 nan 8.290 nan 0.000 0.541 77 T N -1.823 112.750 114.554 0.031 0.000 2.950 77 T HA 0.721 2.340 4.350 -4.552 0.000 0.288 77 T C -1.891 172.825 174.700 0.028 0.000 1.035 77 T CA -1.458 60.663 62.100 0.034 0.000 1.028 77 T CB 2.521 71.407 68.868 0.031 0.000 1.109 77 T HN 0.182 nan 8.240 nan 0.000 0.514 78 P HA -0.047 nan 4.420 nan 0.000 0.219 78 P C 0.887 178.198 177.300 0.017 0.000 1.146 78 P CA 0.927 64.039 63.100 0.019 0.000 0.808 78 P CB 0.047 31.758 31.700 0.017 0.000 0.779 79 D N -1.015 119.396 120.400 0.019 0.000 2.194 79 D HA -0.085 1.824 4.640 -4.552 0.000 0.204 79 D C 1.278 177.587 176.300 0.016 0.000 0.964 79 D CA 1.153 55.163 54.000 0.016 0.000 0.846 79 D CB -0.410 40.400 40.800 0.016 0.000 0.962 79 D HN 0.378 nan 8.370 nan 0.000 0.490 80 N N -1.106 117.605 118.700 0.019 0.000 2.184 80 N HA -0.022 1.987 4.740 -4.552 0.000 0.206 80 N C -0.345 175.182 175.510 0.029 0.000 1.151 80 N CA -0.161 52.901 53.050 0.019 0.000 0.878 80 N CB 0.719 39.214 38.487 0.012 0.000 1.014 80 N HN -0.179 nan 8.380 nan 0.000 0.512 81 S N 0.447 116.167 115.700 0.033 0.000 2.652 81 S HA 0.447 2.186 4.470 -4.552 0.000 0.252 81 S C -2.209 172.409 174.600 0.030 0.000 1.219 81 S CA -1.320 56.910 58.200 0.048 0.000 1.151 81 S CB 1.102 64.338 63.200 0.059 0.000 1.080 81 S HN -0.163 nan 8.310 nan 0.000 0.481 82 P HA -0.117 nan 4.420 nan 0.000 0.217 82 P C 1.408 178.702 177.300 -0.011 0.000 1.148 82 P CA 1.020 64.125 63.100 0.009 0.000 0.828 82 P CB 0.098 31.806 31.700 0.012 0.000 0.783 83 L N -1.394 119.812 121.223 -0.027 0.000 2.017 83 L HA -0.176 1.433 4.340 -4.552 0.000 0.208 83 L C 2.471 179.314 176.870 -0.045 0.000 1.073 83 L CA 1.512 56.311 54.840 -0.069 0.000 0.745 83 L CB -0.861 41.102 42.059 -0.160 0.000 0.894 83 L HN -0.056 nan 8.230 nan 0.000 0.432 84 I N -0.057 120.500 120.570 -0.022 0.000 2.226 84 I HA -0.266 1.173 4.170 -4.552 0.000 0.245 84 I C 2.827 178.942 176.117 -0.003 0.000 1.100 84 I CA 1.141 62.437 61.300 -0.007 0.000 1.374 84 I CB -0.613 37.395 38.000 0.012 0.000 1.057 84 I HN 0.215 nan 8.210 nan 0.000 0.413 85 A N 1.075 123.895 122.820 -0.000 0.000 1.978 85 A HA -0.238 1.351 4.320 -4.552 0.000 0.220 85 A C 2.473 180.053 177.584 -0.006 0.000 1.170 85 A CA 2.215 54.252 52.037 0.001 0.000 0.636 85 A CB -0.755 18.247 19.000 0.003 0.000 0.810 85 A HN 0.561 nan 8.150 nan 0.000 0.448 86 S N -0.386 115.305 115.700 -0.014 0.000 2.481 86 S HA 0.021 1.760 4.470 -4.552 0.000 0.231 86 S C 1.642 176.230 174.600 -0.020 0.000 0.996 86 S CA 1.069 59.257 58.200 -0.019 0.000 0.942 86 S CB -0.582 62.601 63.200 -0.029 0.000 0.768 86 S HN 0.461 nan 8.310 nan 0.000 0.520 87 L N 1.109 122.320 121.223 -0.019 0.000 2.465 87 L HA 0.075 1.684 4.340 -4.552 0.000 0.224 87 L C 0.247 177.110 176.870 -0.011 0.000 1.145 87 L CA 0.086 54.916 54.840 -0.017 0.000 0.834 87 L CB -0.881 41.169 42.059 -0.015 0.000 0.944 87 L HN 0.298 nan 8.230 nan 0.000 0.451 88 N N 0.610 119.305 118.700 -0.007 0.000 2.688 88 N HA -0.222 1.787 4.740 -4.552 0.000 0.258 88 N C 0.798 176.308 175.510 -0.001 0.000 1.016 88 N CA 0.497 53.545 53.050 -0.004 0.000 0.747 88 N CB -1.223 37.261 38.487 -0.006 0.000 0.895 88 N HN 0.363 nan 8.380 nan 0.000 0.543 89 L N -0.463 120.762 121.223 0.003 0.000 2.275 89 L HA -0.073 1.536 4.340 -4.552 0.000 0.215 89 L C 1.998 178.871 176.870 0.006 0.000 1.119 89 L CA 1.191 56.034 54.840 0.006 0.000 0.790 89 L CB -0.485 41.581 42.059 0.013 0.000 0.919 89 L HN 0.645 nan 8.230 nan 0.000 0.443 90 G N 0.626 109.430 108.800 0.006 0.000 2.596 90 G HA2 -0.473 0.756 3.960 -4.552 0.000 0.295 90 G HA3 -0.473 0.756 3.960 -4.552 0.000 0.295 90 G C 0.748 175.651 174.900 0.005 0.000 1.240 90 G CA 0.716 45.819 45.100 0.004 0.000 0.985 90 G HN 0.383 nan 8.290 nan 0.000 0.555 91 E N 0.026 120.227 120.200 0.002 0.000 2.153 91 E HA -0.150 1.469 4.350 -4.552 0.000 0.194 91 E C 2.527 179.128 176.600 0.001 0.000 0.988 91 E CA 1.424 57.824 56.400 0.001 0.000 0.811 91 E CB -0.093 29.606 29.700 -0.002 0.000 0.746 91 E HN 0.490 nan 8.360 nan 0.000 0.466 92 R N -0.069 120.432 120.500 0.002 0.000 2.096 92 R HA -0.148 1.461 4.340 -4.552 0.000 0.235 92 R C 2.361 178.664 176.300 0.006 0.000 1.127 92 R CA 1.227 57.328 56.100 0.002 0.000 0.968 92 R CB -0.153 30.150 30.300 0.004 0.000 0.861 92 R HN 0.237 nan 8.270 nan 0.000 0.440 93 L N 0.676 121.906 121.223 0.012 0.000 2.068 93 L HA -0.061 1.548 4.340 -4.552 0.000 0.204 93 L C 2.381 179.262 176.870 0.019 0.000 1.076 93 L CA 1.757 56.610 54.840 0.022 0.000 0.753 93 L CB -0.565 41.512 42.059 0.029 0.000 0.910 93 L HN 0.229 nan 8.230 nan 0.000 0.439 94 Q N -0.426 119.382 119.800 0.013 0.000 2.181 94 Q HA -0.199 1.410 4.340 -4.552 0.000 0.205 94 Q C 1.997 177.998 176.000 0.003 0.000 0.980 94 Q CA 1.738 57.547 55.803 0.011 0.000 0.862 94 Q CB -0.235 28.507 28.738 0.007 0.000 0.905 94 Q HN 0.613 nan 8.270 nan 0.000 0.429 95 A N 0.335 123.153 122.820 -0.004 0.000 2.125 95 A HA -0.083 1.506 4.320 -4.552 0.000 0.219 95 A C 1.777 179.348 177.584 -0.022 0.000 1.156 95 A CA 0.813 52.841 52.037 -0.014 0.000 0.671 95 A CB -0.433 18.557 19.000 -0.016 0.000 0.794 95 A HN 0.479 nan 8.150 nan 0.000 0.459 96 L N -1.168 120.046 121.223 -0.014 0.000 2.552 96 L HA 0.206 1.815 4.340 -4.552 0.000 0.227 96 L C 1.568 178.431 176.870 -0.011 0.000 1.146 96 L CA 0.256 55.082 54.840 -0.023 0.000 0.858 96 L CB -1.044 41.010 42.059 -0.009 0.000 0.969 96 L HN 0.604 nan 8.230 nan 0.000 0.451 97 G N 0.284 109.084 108.800 -0.001 0.000 2.598 97 G HA2 -0.326 0.903 3.960 -4.552 0.000 0.244 97 G HA3 -0.326 0.903 3.960 -4.552 0.000 0.244 97 G C 0.632 175.551 174.900 0.033 0.000 1.302 97 G CA -0.024 45.077 45.100 0.002 0.000 0.903 97 G HN 0.248 nan 8.290 nan 0.000 0.575 98 A N -0.965 121.874 122.820 0.032 0.000 2.167 98 A HA 0.412 2.001 4.320 -4.552 0.000 0.214 98 A C 1.738 179.389 177.584 0.111 0.000 1.151 98 A CA 2.055 54.128 52.037 0.059 0.000 0.735 98 A CB -0.138 18.889 19.000 0.045 0.000 0.802 98 A HN 0.688 nan 8.150 nan 0.000 0.467 99 E N -1.132 119.150 120.200 0.138 0.000 2.606 99 E HA 0.170 1.789 4.350 -4.552 0.000 0.224 99 E C 0.929 177.790 176.600 0.435 0.000 0.930 99 E CA 0.023 56.605 56.400 0.303 0.000 1.125 99 E CB 0.739 30.617 29.700 0.297 0.000 1.123 99 E HN 0.456 nan 8.360 nan 0.000 0.522 100 G N 0.835 109.779 108.800 0.240 0.000 2.580 100 G HA2 0.402 1.631 3.960 -4.552 0.000 0.278 100 G HA3 0.402 1.631 3.960 -4.552 0.000 0.278 100 G C -0.720 174.353 174.900 0.287 0.000 1.212 100 G CA -0.158 45.062 45.100 0.200 0.000 0.939 100 G HN 0.137 nan 8.290 nan 0.000 0.513 101 Y N -2.291 118.151 120.300 0.237 0.000 2.656 101 Y HA 0.671 2.488 4.550 -4.556 0.000 0.334 101 Y C -1.517 174.460 175.900 0.129 0.000 1.179 101 Y CA -1.788 56.416 58.100 0.172 0.000 1.050 101 Y CB 1.537 40.116 38.460 0.198 0.000 1.308 101 Y HN 0.606 nan 8.280 nan 0.000 0.456 102 L N 3.043 124.437 121.223 0.285 0.000 2.341 102 L HA 0.721 2.330 4.340 -4.552 0.000 0.278 102 L C -1.755 175.237 176.870 0.204 0.000 1.005 102 L CA -0.870 54.077 54.840 0.178 0.000 0.818 102 L CB 1.549 43.665 42.059 0.095 0.000 1.259 102 L HN 0.748 nan 8.230 nan 0.000 0.418 103 L N 4.905 126.222 121.223 0.157 0.000 2.305 103 L HA 0.671 2.280 4.340 -4.552 0.000 0.284 103 L C -0.548 176.347 176.870 0.042 0.000 1.013 103 L CA -0.424 54.462 54.840 0.076 0.000 0.819 103 L CB 1.647 43.711 42.059 0.008 0.000 1.227 103 L HN 0.676 nan 8.230 nan 0.000 0.417 104 E N 2.740 122.962 120.200 0.036 0.000 2.321 104 E HA 0.162 1.781 4.350 -4.552 0.000 0.281 104 E C -1.511 175.108 176.600 0.031 0.000 0.910 104 E CA -0.644 55.775 56.400 0.031 0.000 0.770 104 E CB 2.249 31.967 29.700 0.029 0.000 1.225 104 E HN 0.556 nan 8.360 nan 0.000 0.417 105 Q N 2.905 122.727 119.800 0.037 0.000 2.288 105 Q HA 0.339 1.948 4.340 -4.552 0.000 0.258 105 Q C -0.894 175.123 176.000 0.027 0.000 0.957 105 Q CA 0.432 56.263 55.803 0.046 0.000 0.919 105 Q CB 1.358 30.136 28.738 0.067 0.000 1.185 105 Q HN 0.610 nan 8.270 nan 0.000 0.408 106 T N 2.488 117.048 114.554 0.010 0.000 2.637 106 T HA 0.560 2.179 4.350 -4.552 0.000 0.303 106 T C -1.712 172.950 174.700 -0.062 0.000 1.288 106 T CA -0.725 61.363 62.100 -0.020 0.000 1.040 106 T CB 1.065 69.923 68.868 -0.017 0.000 1.644 106 T HN 0.543 nan 8.240 nan 0.000 0.480 107 R N 0.910 121.357 120.500 -0.088 0.000 2.686 107 R HA 0.689 2.298 4.340 -4.552 0.000 0.283 107 R C -1.139 175.097 176.300 -0.106 0.000 0.978 107 R CA -0.633 55.384 56.100 -0.139 0.000 0.897 107 R CB 1.257 31.450 30.300 -0.179 0.000 1.192 107 R HN 0.619 nan 8.270 nan 0.000 0.457 108 I N 2.437 122.938 120.570 -0.116 0.000 2.478 108 I HA 0.183 1.622 4.170 -4.552 0.000 0.287 108 I C -0.273 175.783 176.117 -0.102 0.000 1.042 108 I CA -0.809 60.432 61.300 -0.098 0.000 1.067 108 I CB 1.720 39.660 38.000 -0.101 0.000 1.233 108 I HN 0.516 nan 8.210 nan 0.000 0.431 109 N N 6.242 124.891 118.700 -0.085 0.000 2.727 109 N HA -0.210 1.799 4.740 -4.552 0.000 0.249 109 N C 0.261 175.719 175.510 -0.086 0.000 1.048 109 N CA 0.910 53.915 53.050 -0.075 0.000 0.714 109 N CB -0.725 37.721 38.487 -0.068 0.000 0.959 109 N HN 0.778 nan 8.380 nan 0.000 0.544 110 K N -4.058 116.277 120.400 -0.108 0.000 3.529 110 K HA -0.259 1.330 4.320 -4.552 0.000 0.313 110 K C 0.125 176.614 176.600 -0.184 0.000 1.316 110 K CA 1.243 57.448 56.287 -0.138 0.000 0.988 110 K CB -0.911 31.535 32.500 -0.091 0.000 1.252 110 K HN 0.339 nan 8.250 nan 0.000 0.438 111 R N 1.253 121.656 120.500 -0.162 0.000 2.441 111 R HA 0.243 1.852 4.340 -4.552 0.000 0.284 111 R C -0.132 176.012 176.300 -0.259 0.000 1.070 111 R CA -0.225 55.774 56.100 -0.167 0.000 1.047 111 R CB 0.273 30.508 30.300 -0.107 0.000 1.016 111 R HN 0.141 nan 8.270 nan 0.000 0.477 112 H N 0.636 119.494 119.070 -0.352 0.000 2.767 112 H HA 0.322 2.147 4.556 -4.552 0.000 0.316 112 H C 0.041 175.204 175.328 -0.275 0.000 1.059 112 H CA -0.053 55.752 56.048 -0.405 0.000 1.461 112 H CB 0.514 29.744 29.762 -0.886 0.000 1.475 112 H HN 0.362 nan 8.280 nan 0.000 0.531 113 V N 0.884 120.776 119.914 -0.037 0.000 3.078 113 V HA 0.682 2.071 4.120 -4.552 0.000 0.311 113 V C -0.816 175.299 176.094 0.034 0.000 1.138 113 V CA -0.991 61.309 62.300 0.000 0.000 1.007 113 V CB 2.201 34.005 31.823 -0.032 0.000 1.045 113 V HN 0.443 nan 8.190 nan 0.000 0.432 114 V N 3.756 123.699 119.914 0.048 0.000 2.448 114 V HA 0.564 1.953 4.120 -4.552 0.000 0.295 114 V C -0.003 176.107 176.094 0.027 0.000 1.025 114 V CA -0.403 61.923 62.300 0.043 0.000 0.859 114 V CB 1.479 33.335 31.823 0.056 0.000 0.988 114 V HN 0.972 nan 8.190 nan 0.000 0.431 115 I N 2.630 123.213 120.570 0.021 0.000 2.437 115 I HA 0.748 2.187 4.170 -4.552 0.000 0.298 115 I C -0.644 175.489 176.117 0.027 0.000 0.984 115 I CA -0.724 60.588 61.300 0.020 0.000 1.214 115 I CB 1.887 39.898 38.000 0.018 0.000 1.365 115 I HN 0.250 nan 8.210 nan 0.000 0.469 116 V N 5.505 125.433 119.914 0.024 0.000 2.293 116 V HA 0.674 2.063 4.120 -4.552 0.000 0.275 116 V C 0.453 176.579 176.094 0.055 0.000 1.021 116 V CA -0.293 62.025 62.300 0.030 0.000 0.815 116 V CB 0.624 32.435 31.823 -0.020 0.000 1.025 116 V HN 0.925 nan 8.190 nan 0.000 0.448 117 A N 4.126 127.002 122.820 0.095 0.000 2.337 117 A HA 1.034 2.623 4.320 -4.552 0.000 0.329 117 A C -0.074 177.593 177.584 0.139 0.000 1.146 117 A CA 0.010 52.102 52.037 0.092 0.000 0.800 117 A CB 1.733 20.775 19.000 0.071 0.000 1.220 117 A HN 1.351 nan 8.150 nan 0.000 0.472 118 A N 1.144 124.032 122.820 0.114 0.000 2.581 118 A HA 0.642 2.231 4.320 -4.552 0.000 0.290 118 A C 0.064 177.702 177.584 0.090 0.000 1.119 118 A CA -0.602 51.518 52.037 0.138 0.000 0.670 118 A CB 0.485 19.593 19.000 0.181 0.000 1.280 118 A HN 0.634 nan 8.150 nan 0.000 0.425 119 N N 0.106 118.859 118.700 0.088 0.000 2.395 119 N HA 0.021 2.030 4.740 -4.552 0.000 0.175 119 N C 0.690 176.232 175.510 0.054 0.000 1.029 119 N CA 1.432 54.518 53.050 0.061 0.000 0.897 119 N CB 0.174 38.692 38.487 0.053 0.000 0.991 119 N HN 0.801 nan 8.380 nan 0.000 0.441 120 S N -0.440 115.299 115.700 0.065 0.000 2.634 120 S HA 0.384 2.123 4.470 -4.552 0.000 0.296 120 S C 0.217 174.834 174.600 0.028 0.000 1.104 120 S CA -0.753 57.475 58.200 0.046 0.000 0.920 120 S CB 2.299 65.532 63.200 0.054 0.000 1.111 120 S HN -0.222 nan 8.310 nan 0.000 0.493 121 D N 1.051 121.453 120.400 0.004 0.000 2.144 121 D HA -0.100 1.809 4.640 -4.552 0.000 0.199 121 D C 2.154 178.410 176.300 -0.074 0.000 0.984 121 D CA 1.708 55.692 54.000 -0.026 0.000 0.834 121 D CB -0.706 40.076 40.800 -0.030 0.000 0.955 121 D HN 0.541 nan 8.370 nan 0.000 0.465 122 V N -0.923 118.933 119.914 -0.097 0.000 2.490 122 V HA -0.031 1.358 4.120 -4.552 0.000 0.250 122 V C 2.240 178.116 176.094 -0.363 0.000 1.061 122 V CA 2.013 64.145 62.300 -0.279 0.000 1.064 122 V CB -1.350 30.319 31.823 -0.256 0.000 0.670 122 V HN 0.132 nan 8.190 nan 0.000 0.461 123 G N 0.260 109.041 108.800 -0.032 0.000 2.422 123 G HA2 -0.168 1.061 3.960 -4.552 0.000 0.218 123 G HA3 -0.168 1.061 3.960 -4.552 0.000 0.218 123 G C 1.547 176.532 174.900 0.141 0.000 1.146 123 G CA 1.283 46.504 45.100 0.202 0.000 0.769 123 G HN 0.472 nan 8.290 nan 0.000 0.547 124 V N 0.684 120.617 119.914 0.031 0.000 2.343 124 V HA -0.137 1.252 4.120 -4.552 0.000 0.247 124 V C 2.662 178.710 176.094 -0.076 0.000 1.051 124 V CA 1.618 63.911 62.300 -0.010 0.000 1.036 124 V CB -0.462 31.350 31.823 -0.020 0.000 0.654 124 V HN 0.367 nan 8.190 nan 0.000 0.451 125 L N -0.543 120.612 121.223 -0.114 0.000 1.994 125 L HA -0.173 1.436 4.340 -4.552 0.000 0.208 125 L C 2.406 179.322 176.870 0.077 0.000 1.071 125 L CA 2.183 56.970 54.840 -0.088 0.000 0.745 125 L CB -0.836 41.157 42.059 -0.110 0.000 0.892 125 L HN 0.330 nan 8.230 nan 0.000 0.431 126 Y N 0.158 120.527 120.300 0.115 0.000 2.181 126 Y HA -0.059 1.766 4.550 -4.542 0.000 0.288 126 Y C 2.587 178.251 175.900 -0.394 0.000 1.146 126 Y CA 0.907 59.021 58.100 0.022 0.000 1.164 126 Y CB -1.623 36.937 38.460 0.168 0.000 0.982 126 Y HN 0.265 nan 8.280 nan 0.000 0.515 127 G N -1.371 107.099 108.800 -0.551 0.000 2.422 127 G HA2 -0.175 1.054 3.960 -4.552 0.000 0.218 127 G HA3 -0.175 1.054 3.960 -4.552 0.000 0.218 127 G C 1.881 176.548 174.900 -0.389 0.000 1.140 127 G CA 1.052 45.519 45.100 -1.054 0.000 0.775 127 G HN 0.383 nan 8.290 nan 0.000 0.545 128 S N 0.580 116.148 115.700 -0.220 0.000 2.368 128 S HA -0.023 1.716 4.470 -4.552 0.000 0.224 128 S C 1.942 176.445 174.600 -0.161 0.000 1.029 128 S CA 0.744 58.826 58.200 -0.197 0.000 0.988 128 S CB -0.350 62.701 63.200 -0.249 0.000 0.838 128 S HN 0.311 nan 8.310 nan 0.000 0.462 129 F N 1.073 120.993 119.950 -0.050 0.000 2.171 129 F HA -0.067 1.737 4.527 -4.538 0.000 0.300 129 F C 2.302 178.107 175.800 0.009 0.000 1.090 129 F CA 1.340 59.346 58.000 0.009 0.000 1.293 129 F CB -0.698 38.323 39.000 0.036 0.000 1.013 129 F HN 0.381 nan 8.300 nan 0.000 0.486 130 H N -0.557 118.490 119.070 -0.038 0.000 2.357 130 H HA -0.138 1.691 4.556 -4.546 0.000 0.301 130 H C 2.436 177.739 175.328 -0.041 0.000 1.082 130 H CA 0.801 56.802 56.048 -0.078 0.000 1.342 130 H CB -0.055 29.617 29.762 -0.151 0.000 1.389 130 H HN 0.140 nan 8.280 nan 0.000 0.511 131 L N 1.152 122.367 121.223 -0.014 0.000 2.012 131 L HA -0.201 1.408 4.340 -4.552 0.000 0.210 131 L C 2.176 179.031 176.870 -0.025 0.000 1.073 131 L CA 1.525 56.324 54.840 -0.068 0.000 0.748 131 L CB -0.931 41.070 42.059 -0.096 0.000 0.891 131 L HN 0.442 nan 8.230 nan 0.000 0.431 132 L N -0.323 120.900 121.223 -0.000 0.000 2.046 132 L HA -0.249 1.360 4.340 -4.552 0.000 0.208 132 L C 2.852 179.782 176.870 0.101 0.000 1.077 132 L CA 1.564 56.417 54.840 0.021 0.000 0.747 132 L CB -0.575 41.519 42.059 0.059 0.000 0.896 132 L HN 0.324 nan 8.230 nan 0.000 0.432 133 R N 0.515 121.117 120.500 0.169 0.000 2.105 133 R HA -0.176 1.433 4.340 -4.552 0.000 0.239 133 R C 2.321 178.712 176.300 0.152 0.000 1.135 133 R CA 1.311 57.515 56.100 0.174 0.000 0.967 133 R CB -0.224 30.177 30.300 0.170 0.000 0.861 133 R HN 0.312 nan 8.270 nan 0.000 0.442 134 L N 0.343 121.649 121.223 0.138 0.000 2.042 134 L HA -0.218 1.391 4.340 -4.552 0.000 0.210 134 L C 2.398 179.358 176.870 0.151 0.000 1.076 134 L CA 1.386 56.304 54.840 0.131 0.000 0.749 134 L CB -0.339 41.757 42.059 0.061 0.000 0.893 134 L HN 0.277 nan 8.230 nan 0.000 0.432 135 I N -0.793 119.766 120.570 -0.017 0.000 2.202 135 I HA -0.290 1.149 4.170 -4.552 0.000 0.242 135 I C 2.574 178.668 176.117 -0.038 0.000 1.091 135 I CA 1.207 62.364 61.300 -0.239 0.000 1.368 135 I CB -0.345 37.348 38.000 -0.511 0.000 1.058 135 I HN 0.294 nan 8.210 nan 0.000 0.410 136 Q N 0.133 119.955 119.800 0.035 0.000 2.181 136 Q HA -0.200 1.409 4.340 -4.552 0.000 0.205 136 Q C 1.749 177.808 176.000 0.098 0.000 0.980 136 Q CA 2.058 57.907 55.803 0.076 0.000 0.862 136 Q CB -0.265 28.534 28.738 0.102 0.000 0.905 136 Q HN 0.626 nan 8.270 nan 0.000 0.429 137 T N -3.349 111.303 114.554 0.163 0.000 3.145 137 T HA 0.143 1.762 4.350 -4.552 0.000 0.255 137 T C 0.063 174.893 174.700 0.216 0.000 1.039 137 T CA -0.310 61.918 62.100 0.213 0.000 0.928 137 T CB 0.340 69.400 68.868 0.319 0.000 1.029 137 T HN 0.210 nan 8.240 nan 0.000 0.554 138 Q N 0.404 120.337 119.800 0.221 0.000 2.487 138 Q HA -0.177 1.432 4.340 -4.552 0.000 0.279 138 Q C -0.979 175.085 176.000 0.107 0.000 1.228 138 Q CA 0.439 56.367 55.803 0.209 0.000 0.873 138 Q CB -2.081 26.713 28.738 0.093 0.000 1.260 138 Q HN 0.776 nan 8.270 nan 0.000 0.471 139 H N -0.628 118.567 119.070 0.208 0.000 2.481 139 H HA 0.595 2.421 4.556 -4.551 0.000 0.339 139 H C 0.317 175.766 175.328 0.201 0.000 1.131 139 H CA 0.355 56.499 56.048 0.160 0.000 1.301 139 H CB 1.123 30.965 29.762 0.133 0.000 1.476 139 H HN 0.378 nan 8.280 nan 0.000 0.529 140 A N 3.073 126.018 122.820 0.208 0.000 2.388 140 A HA 0.186 1.775 4.320 -4.552 0.000 0.257 140 A C 0.766 178.456 177.584 0.176 0.000 1.095 140 A CA -0.390 51.727 52.037 0.133 0.000 0.791 140 A CB 0.134 19.165 19.000 0.051 0.000 1.029 140 A HN 0.860 nan 8.150 nan 0.000 0.489 141 L N 0.319 121.650 121.223 0.180 0.000 2.477 141 L HA 0.105 1.714 4.340 -4.552 0.000 0.220 141 L C 0.782 177.715 176.870 0.105 0.000 1.106 141 L CA 0.117 55.050 54.840 0.156 0.000 0.851 141 L CB -0.254 41.922 42.059 0.196 0.000 0.994 141 L HN 0.705 nan 8.230 nan 0.000 0.462 142 E N 1.521 121.770 120.200 0.081 0.000 2.376 142 E HA -0.022 1.597 4.350 -4.552 0.000 0.266 142 E C 0.285 176.923 176.600 0.063 0.000 1.009 142 E CA 0.232 56.673 56.400 0.068 0.000 0.902 142 E CB 0.266 29.993 29.700 0.045 0.000 0.972 142 E HN -0.047 nan 8.360 nan 0.000 0.439 143 K N 1.678 122.116 120.400 0.063 0.000 3.209 143 K HA -0.235 1.354 4.320 -4.552 0.000 0.289 143 K C -0.134 176.496 176.600 0.050 0.000 1.191 143 K CA 0.334 56.652 56.287 0.052 0.000 0.851 143 K CB -2.063 30.463 32.500 0.044 0.000 1.242 143 K HN 0.518 nan 8.250 nan 0.000 0.480 144 L N 1.223 122.480 121.223 0.056 0.000 2.559 144 L HA 0.120 1.729 4.340 -4.552 0.000 0.274 144 L C 0.208 177.100 176.870 0.036 0.000 1.205 144 L CA 1.009 55.877 54.840 0.048 0.000 0.907 144 L CB 0.715 42.802 42.059 0.047 0.000 1.153 144 L HN 0.217 nan 8.230 nan 0.000 0.490 145 S N 5.934 121.653 115.700 0.031 0.000 2.511 145 S HA 0.637 2.376 4.470 -4.552 0.000 0.233 145 S C -1.395 173.221 174.600 0.027 0.000 1.104 145 S CA -0.706 57.511 58.200 0.028 0.000 1.129 145 S CB 0.006 63.221 63.200 0.025 0.000 1.159 145 S HN 0.766 nan 8.310 nan 0.000 0.451 146 L N 2.348 123.587 121.223 0.027 0.000 2.472 146 L HA 1.016 2.625 4.340 -4.552 0.000 0.260 146 L C -0.631 176.262 176.870 0.039 0.000 0.963 146 L CA -0.466 54.393 54.840 0.032 0.000 0.829 146 L CB 1.766 43.844 42.059 0.031 0.000 1.348 146 L HN 0.423 nan 8.230 nan 0.000 0.408 147 S N 1.166 116.874 115.700 0.014 0.000 2.599 147 S HA 0.952 2.691 4.470 -4.552 0.000 0.294 147 S C -0.530 174.009 174.600 -0.101 0.000 1.094 147 S CA -0.447 57.722 58.200 -0.051 0.000 0.931 147 S CB 1.755 64.930 63.200 -0.042 0.000 1.093 147 S HN 1.161 nan 8.310 nan 0.000 0.488 148 S N -0.256 115.257 115.700 -0.311 0.000 2.537 148 S HA 0.808 2.547 4.470 -4.552 0.000 0.270 148 S C -1.504 172.987 174.600 -0.181 0.000 1.142 148 S CA -0.223 57.874 58.200 -0.172 0.000 0.870 148 S CB 1.325 64.539 63.200 0.023 0.000 1.112 148 S HN 1.738 nan 8.310 nan 0.000 0.466 149 A N 3.782 126.555 122.820 -0.078 0.000 2.515 149 A HA 0.908 2.497 4.320 -4.552 0.000 0.298 149 A C -3.080 174.079 177.584 -0.709 0.000 1.059 149 A CA -1.618 50.270 52.037 -0.248 0.000 0.698 149 A CB 1.467 20.349 19.000 -0.197 0.000 1.289 149 A HN 0.550 nan 8.150 nan 0.000 0.404 150 P HA 0.271 nan 4.420 nan 0.000 0.275 150 P C -0.121 176.769 177.300 -0.684 0.000 1.228 150 P CA -0.140 62.048 63.100 -1.519 0.000 0.786 150 P CB 0.913 31.732 31.700 -1.467 0.000 0.927 151 R N 0.902 121.096 120.500 -0.511 0.000 2.280 151 R HA 0.287 1.896 4.340 -4.552 0.000 0.195 151 R C 0.453 176.658 176.300 -0.159 0.000 0.935 151 R CA 0.228 56.175 56.100 -0.255 0.000 1.033 151 R CB 0.009 30.202 30.300 -0.178 0.000 0.964 151 R HN 0.438 nan 8.270 nan 0.000 0.489 152 L N -0.332 120.770 121.223 -0.202 0.000 2.370 152 L HA 0.297 1.906 4.340 -4.552 0.000 0.266 152 L C 0.696 177.470 176.870 -0.160 0.000 1.002 152 L CA -0.664 54.097 54.840 -0.132 0.000 0.818 152 L CB 2.393 44.392 42.059 -0.101 0.000 1.325 152 L HN -0.148 nan 8.230 nan 0.000 0.418 153 Q N 0.108 119.836 119.800 -0.120 0.000 2.089 153 Q HA 0.068 1.677 4.340 -4.552 0.000 0.195 153 Q C -0.117 175.730 176.000 -0.254 0.000 0.963 153 Q CA 0.924 56.599 55.803 -0.212 0.000 0.834 153 Q CB 0.392 28.980 28.738 -0.250 0.000 0.906 153 Q HN 0.435 nan 8.270 nan 0.000 0.452 154 H N 0.739 119.852 119.070 0.072 0.000 2.623 154 H HA 0.360 2.181 4.556 -4.558 0.000 0.299 154 H C -0.614 174.705 175.328 -0.014 0.000 1.052 154 H CA -0.148 55.958 56.048 0.096 0.000 1.231 154 H CB 0.523 30.378 29.762 0.155 0.000 1.389 154 H HN 0.055 nan 8.280 nan 0.000 0.469 155 R N 2.509 123.061 120.500 0.086 0.000 2.335 155 R HA 0.353 1.962 4.340 -4.552 0.000 0.302 155 R C -0.530 175.816 176.300 0.078 0.000 1.147 155 R CA -0.538 55.569 56.100 0.011 0.000 1.111 155 R CB 1.863 32.138 30.300 -0.042 0.000 1.122 155 R HN 0.265 nan 8.270 nan 0.000 0.557 156 V N 2.829 122.791 119.914 0.080 0.000 2.864 156 V HA 0.686 2.075 4.120 -4.552 0.000 0.314 156 V C -0.410 175.749 176.094 0.108 0.000 1.073 156 V CA -0.744 61.594 62.300 0.064 0.000 0.956 156 V CB 2.310 34.053 31.823 -0.133 0.000 1.023 156 V HN 0.395 nan 8.190 nan 0.000 0.435 157 V N 3.143 123.096 119.914 0.066 0.000 2.732 157 V HA 0.688 2.077 4.120 -4.552 0.000 0.310 157 V C -0.422 175.622 176.094 -0.083 0.000 1.053 157 V CA -0.726 61.519 62.300 -0.092 0.000 0.957 157 V CB 1.486 33.237 31.823 -0.120 0.000 1.018 157 V HN 0.981 nan 8.190 nan 0.000 0.452 158 N N 1.260 119.803 118.700 -0.260 0.000 2.269 158 N HA 0.532 2.541 4.740 -4.552 0.000 0.304 158 N C -1.471 173.847 175.510 -0.319 0.000 1.072 158 N CA -0.775 52.197 53.050 -0.130 0.000 0.802 158 N CB 1.535 39.966 38.487 -0.093 0.000 1.348 158 N HN 0.788 nan 8.380 nan 0.000 0.484 159 H N 1.172 120.262 119.070 0.035 0.000 2.646 159 H HA 0.120 1.962 4.556 -4.523 0.000 0.328 159 H C -0.597 174.866 175.328 0.225 0.000 0.998 159 H CA -0.531 55.550 56.048 0.053 0.000 1.225 159 H CB 1.175 31.091 29.762 0.256 0.000 1.457 159 H HN 0.543 nan 8.280 nan 0.000 0.505 160 W N 3.296 124.602 121.300 0.011 0.000 1.564 160 W HA 0.122 2.080 4.660 -4.503 0.000 0.448 160 W C -0.482 176.001 176.519 -0.060 0.000 0.601 160 W CA -0.826 56.480 57.345 -0.064 0.000 2.326 160 W CB -1.060 28.282 29.460 -0.197 0.000 1.355 160 W HN 0.443 nan 8.180 nan 0.000 0.382 161 D N 0.992 121.556 120.400 0.274 0.000 2.232 161 D HA 0.106 2.015 4.640 -4.552 0.000 0.242 161 D C 0.414 176.835 176.300 0.201 0.000 1.093 161 D CA -0.189 53.945 54.000 0.223 0.000 0.845 161 D CB 0.809 41.807 40.800 0.331 0.000 1.124 161 D HN -0.092 nan 8.370 nan 0.000 0.467 162 N N 1.419 120.205 118.700 0.143 0.000 2.513 162 N HA 0.166 2.175 4.740 -4.552 0.000 0.274 162 N C 1.288 176.909 175.510 0.187 0.000 1.189 162 N CA -0.367 52.756 53.050 0.123 0.000 0.975 162 N CB 1.105 39.659 38.487 0.112 0.000 1.157 162 N HN 0.329 nan 8.380 nan 0.000 0.465 163 L N 0.811 122.077 121.223 0.072 0.000 2.275 163 L HA -0.136 1.473 4.340 -4.552 0.000 0.215 163 L C 1.588 178.582 176.870 0.205 0.000 1.119 163 L CA 0.703 55.561 54.840 0.030 0.000 0.790 163 L CB -0.459 41.364 42.059 -0.395 0.000 0.919 163 L HN 0.555 nan 8.230 nan 0.000 0.443 164 N N 1.032 119.826 118.700 0.157 0.000 2.571 164 N HA -0.195 1.814 4.740 -4.552 0.000 0.189 164 N C 0.700 176.333 175.510 0.204 0.000 1.154 164 N CA 0.414 53.568 53.050 0.173 0.000 0.907 164 N CB -0.137 38.419 38.487 0.115 0.000 0.977 164 N HN 0.280 nan 8.380 nan 0.000 0.449 165 R N -2.583 118.065 120.500 0.246 0.000 3.804 165 R HA -0.095 1.514 4.340 -4.552 0.000 0.459 165 R C -0.944 175.425 176.300 0.115 0.000 1.009 165 R CA 0.709 56.927 56.100 0.197 0.000 1.210 165 R CB -2.374 28.023 30.300 0.162 0.000 1.860 165 R HN 0.102 nan 8.270 nan 0.000 0.526 166 V N 1.905 121.897 119.914 0.130 0.000 2.583 166 V HA 0.250 1.639 4.120 -4.552 0.000 0.287 166 V C 0.861 177.007 176.094 0.085 0.000 1.051 166 V CA -0.281 62.092 62.300 0.123 0.000 1.010 166 V CB 1.753 33.691 31.823 0.190 0.000 0.988 166 V HN -0.018 nan 8.190 nan 0.000 0.478 167 V N 4.412 124.331 119.914 0.008 0.000 2.370 167 V HA 0.275 1.664 4.120 -4.552 0.000 0.279 167 V C 0.296 176.208 176.094 -0.302 0.000 1.029 167 V CA -0.584 61.654 62.300 -0.102 0.000 0.870 167 V CB 1.371 33.121 31.823 -0.121 0.000 0.984 167 V HN 0.976 nan 8.190 nan 0.000 0.451 168 E N 5.905 125.793 120.200 -0.520 0.000 2.257 168 E HA 0.211 1.830 4.350 -4.552 0.000 0.278 168 E C -0.106 176.117 176.600 -0.628 0.000 1.049 168 E CA -0.547 55.144 56.400 -1.182 0.000 0.876 168 E CB 0.206 29.139 29.700 -1.278 0.000 1.035 168 E HN 0.511 nan 8.360 nan 0.000 0.419 169 R N 1.930 122.017 120.500 -0.689 0.000 3.267 169 R HA -0.138 1.471 4.340 -4.552 0.000 0.254 169 R C -0.594 175.068 176.300 -1.064 0.000 0.993 169 R CA 0.905 56.621 56.100 -0.640 0.000 0.670 169 R CB -2.503 27.721 30.300 -0.128 0.000 1.125 169 R HN 0.618 nan 8.270 nan 0.000 0.434 170 G N 0.353 108.449 108.800 -1.174 0.000 2.660 170 G HA2 0.544 1.773 3.960 -4.552 0.000 0.305 170 G HA3 0.544 1.773 3.960 -4.552 0.000 0.305 170 G C -0.292 174.137 174.900 -0.785 0.000 1.329 170 G CA -0.556 44.065 45.100 -0.798 0.000 1.000 170 G HN 0.225 nan 8.290 nan 0.000 0.514 171 Y N 1.314 121.558 120.300 -0.094 0.000 2.720 171 Y HA 0.495 2.308 4.550 -4.561 0.000 0.268 171 Y C 1.327 177.255 175.900 0.047 0.000 1.142 171 Y CA -0.328 57.751 58.100 -0.036 0.000 1.193 171 Y CB 1.054 39.497 38.460 -0.029 0.000 1.176 171 Y HN 0.646 nan 8.280 nan 0.000 0.542 172 A N -0.483 122.389 122.820 0.087 0.000 2.592 172 A HA 0.680 2.269 4.320 -4.552 0.000 0.290 172 A C 0.926 178.545 177.584 0.058 0.000 0.998 172 A CA 0.178 52.284 52.037 0.115 0.000 0.983 172 A CB -0.314 18.771 19.000 0.142 0.000 1.240 172 A HN 0.560 nan 8.150 nan 0.000 0.535 173 G N -0.649 108.169 108.800 0.029 0.000 2.422 173 G HA2 0.043 1.272 3.960 -4.552 0.000 0.607 173 G HA3 0.043 1.272 3.960 -4.552 0.000 0.607 173 G C -0.500 174.385 174.900 -0.025 0.000 1.270 173 G CA -0.605 44.498 45.100 0.005 0.000 0.992 173 G HN 0.644 nan 8.290 nan 0.000 0.499 174 L N 0.444 121.647 121.223 -0.033 0.000 2.473 174 L HA 0.456 2.065 4.340 -4.552 0.000 0.268 174 L C 1.750 178.554 176.870 -0.110 0.000 1.215 174 L CA 0.236 55.051 54.840 -0.042 0.000 0.823 174 L CB 0.876 42.920 42.059 -0.025 0.000 1.099 174 L HN 0.810 nan 8.230 nan 0.000 0.483 175 S N 0.533 116.164 115.700 -0.114 0.000 2.558 175 S HA 0.010 1.749 4.470 -4.552 0.000 0.293 175 S C 1.190 175.515 174.600 -0.458 0.000 1.292 175 S CA -0.407 57.629 58.200 -0.273 0.000 1.063 175 S CB 0.278 63.403 63.200 -0.124 0.000 0.831 175 S HN 0.506 nan 8.310 nan 0.000 0.499 176 L N 3.561 124.275 121.223 -0.848 0.000 2.191 176 L HA -0.019 1.590 4.340 -4.552 0.000 0.212 176 L C 0.516 177.067 176.870 -0.531 0.000 1.103 176 L CA 0.640 55.002 54.840 -0.797 0.000 0.769 176 L CB -0.204 41.165 42.059 -1.150 0.000 0.908 176 L HN 0.698 nan 8.230 nan 0.000 0.438 177 W N 0.156 121.309 121.300 -0.245 0.000 2.437 177 W HA 0.178 2.099 4.660 -4.564 0.000 0.312 177 W C 0.078 176.184 176.519 -0.687 0.000 1.242 177 W CA -1.052 55.925 57.345 -0.612 0.000 1.340 177 W CB 0.071 28.836 29.460 -1.159 0.000 1.327 177 W HN -0.120 nan 8.180 nan 0.000 0.476 178 D N 3.359 123.680 120.400 -0.132 0.000 2.522 178 D HA 0.102 2.011 4.640 -4.552 0.000 0.218 178 D C 0.535 176.838 176.300 0.006 0.000 1.149 178 D CA -0.461 53.520 54.000 -0.032 0.000 0.981 178 D CB 0.046 40.914 40.800 0.113 0.000 1.041 178 D HN 0.374 nan 8.370 nan 0.000 0.518 179 W N 2.050 123.475 121.300 0.207 0.000 2.350 179 W HA -0.022 1.905 4.660 -4.555 0.000 0.289 179 W C 2.454 179.006 176.519 0.055 0.000 1.215 179 W CA 0.562 57.989 57.345 0.138 0.000 1.236 179 W CB -0.172 29.429 29.460 0.234 0.000 1.130 179 W HN 0.462 nan 8.180 nan 0.000 0.541 180 G N -0.180 108.781 108.800 0.270 0.000 2.448 180 G HA2 -0.258 0.971 3.960 -4.552 0.000 0.219 180 G HA3 -0.258 0.971 3.960 -4.552 0.000 0.219 180 G C 1.412 176.386 174.900 0.124 0.000 1.127 180 G CA 1.412 46.609 45.100 0.162 0.000 0.766 180 G HN 0.332 nan 8.290 nan 0.000 0.552 181 S N -0.987 114.803 115.700 0.150 0.000 2.539 181 S HA 0.420 2.159 4.470 -4.552 0.000 0.221 181 S C 0.653 175.361 174.600 0.181 0.000 0.987 181 S CA -0.568 57.729 58.200 0.161 0.000 0.929 181 S CB 0.110 63.438 63.200 0.214 0.000 0.832 181 S HN 0.127 nan 8.310 nan 0.000 0.492 182 L N 2.511 123.826 121.223 0.155 0.000 2.399 182 L HA 0.391 2.000 4.340 -4.552 0.000 0.266 182 L C -1.380 175.532 176.870 0.071 0.000 1.114 182 L CA -2.118 52.791 54.840 0.116 0.000 0.804 182 L CB 1.082 43.200 42.059 0.098 0.000 1.146 182 L HN -0.010 nan 8.230 nan 0.000 0.451 183 P HA 0.020 nan 4.420 nan 0.000 0.245 183 P C 0.348 177.696 177.300 0.079 0.000 1.206 183 P CA 0.565 63.692 63.100 0.044 0.000 0.781 183 P CB 0.195 31.909 31.700 0.023 0.000 0.994 184 N N -0.468 118.293 118.700 0.101 0.000 2.120 184 N HA -0.170 1.839 4.740 -4.552 0.000 0.188 184 N C 0.392 176.021 175.510 0.198 0.000 1.024 184 N CA 0.972 54.094 53.050 0.121 0.000 0.852 184 N CB -0.875 37.673 38.487 0.103 0.000 1.003 184 N HN 0.207 nan 8.380 nan 0.000 0.424 185 Y N 1.536 121.881 120.300 0.075 0.000 2.434 185 Y HA 0.378 2.198 4.550 -4.550 0.000 0.341 185 Y C -0.836 175.156 175.900 0.154 0.000 0.965 185 Y CA -1.444 56.706 58.100 0.084 0.000 1.205 185 Y CB 0.199 38.695 38.460 0.061 0.000 1.121 185 Y HN -0.069 nan 8.280 nan 0.000 0.507 186 L N 7.286 128.445 121.223 -0.106 0.000 2.389 186 L HA 0.454 2.063 4.340 -4.552 0.000 0.265 186 L C 0.681 177.265 176.870 -0.478 0.000 1.167 186 L CA -0.663 54.113 54.840 -0.107 0.000 1.045 186 L CB -0.303 41.777 42.059 0.035 0.000 1.351 186 L HN 0.746 nan 8.230 nan 0.000 0.419 187 A N 3.796 126.043 122.820 -0.954 0.000 2.511 187 A HA 0.249 1.838 4.320 -4.552 0.000 0.242 187 A C -1.248 176.047 177.584 -0.482 0.000 1.069 187 A CA -0.890 50.475 52.037 -1.120 0.000 0.763 187 A CB 0.132 18.359 19.000 -1.288 0.000 1.001 187 A HN 0.459 nan 8.150 nan 0.000 0.498 188 P HA -0.192 nan 4.420 nan 0.000 0.217 188 P C 1.621 178.955 177.300 0.058 0.000 1.148 188 P CA 1.396 64.489 63.100 -0.013 0.000 0.828 188 P CB 0.074 31.794 31.700 0.034 0.000 0.783 189 R N -1.441 119.035 120.500 -0.039 0.000 2.159 189 R HA -0.188 1.421 4.340 -4.552 0.000 0.237 189 R C 1.912 178.416 176.300 0.340 0.000 1.131 189 R CA 1.315 57.502 56.100 0.144 0.000 0.982 189 R CB -0.538 29.744 30.300 -0.030 0.000 0.868 189 R HN 0.176 nan 8.270 nan 0.000 0.453 190 Y N -0.291 120.186 120.300 0.294 0.000 2.242 190 Y HA -0.113 1.705 4.550 -4.554 0.000 0.291 190 Y C 2.465 178.665 175.900 0.500 0.000 1.137 190 Y CA 1.356 59.727 58.100 0.452 0.000 1.181 190 Y CB -0.887 37.741 38.460 0.281 0.000 0.989 190 Y HN 0.024 nan 8.280 nan 0.000 0.527 191 T N -0.280 114.545 114.554 0.452 0.000 2.857 191 T HA -0.132 1.487 4.350 -4.552 0.000 0.266 191 T C 1.357 176.138 174.700 0.135 0.000 1.048 191 T CA 1.502 63.781 62.100 0.299 0.000 1.139 191 T CB -0.281 68.747 68.868 0.266 0.000 0.874 191 T HN 0.294 nan 8.240 nan 0.000 0.455 192 D N 0.210 120.747 120.400 0.229 0.000 2.144 192 D HA -0.069 1.841 4.640 -4.552 0.000 0.200 192 D C 1.672 177.967 176.300 -0.010 0.000 0.978 192 D CA 0.820 54.897 54.000 0.128 0.000 0.833 192 D CB -0.333 40.644 40.800 0.295 0.000 0.961 192 D HN 0.461 nan 8.370 nan 0.000 0.470 193 Y N 1.759 122.137 120.300 0.130 0.000 2.181 193 Y HA -0.190 1.628 4.550 -4.554 0.000 0.288 193 Y C 2.271 178.090 175.900 -0.135 0.000 1.146 193 Y CA 1.861 59.967 58.100 0.009 0.000 1.164 193 Y CB -0.276 38.441 38.460 0.429 0.000 0.982 193 Y HN -0.056 nan 8.280 nan 0.000 0.515 194 A N 0.695 123.478 122.820 -0.061 0.000 1.933 194 A HA -0.166 1.423 4.320 -4.552 0.000 0.218 194 A C 2.280 179.565 177.584 -0.498 0.000 1.175 194 A CA 1.683 53.541 52.037 -0.297 0.000 0.628 194 A CB -0.602 18.347 19.000 -0.085 0.000 0.814 194 A HN 0.560 nan 8.150 nan 0.000 0.444 195 R N -0.511 119.628 120.500 -0.602 0.000 2.073 195 R HA -0.055 1.554 4.340 -4.552 0.000 0.234 195 R C 2.012 178.061 176.300 -0.418 0.000 1.134 195 R CA 1.621 57.476 56.100 -0.408 0.000 0.952 195 R CB -0.524 29.647 30.300 -0.216 0.000 0.850 195 R HN 0.559 nan 8.270 nan 0.000 0.433 196 I N 1.232 121.460 120.570 -0.569 0.000 2.163 196 I HA -0.334 1.106 4.170 -4.552 0.000 0.243 196 I C 1.963 177.798 176.117 -0.470 0.000 1.085 196 I CA 1.257 62.111 61.300 -0.742 0.000 1.347 196 I CB -0.381 36.941 38.000 -1.130 0.000 1.044 196 I HN 0.227 nan 8.210 nan 0.000 0.408 197 N N 1.009 119.462 118.700 -0.412 0.000 2.106 197 N HA -0.113 1.896 4.740 -4.552 0.000 0.188 197 N C 1.898 177.317 175.510 -0.152 0.000 1.029 197 N CA 1.657 54.595 53.050 -0.186 0.000 0.848 197 N CB -0.370 37.978 38.487 -0.233 0.000 1.007 197 N HN 0.332 nan 8.380 nan 0.000 0.423 198 A N 0.997 123.729 122.820 -0.146 0.000 2.019 198 A HA -0.137 1.452 4.320 -4.552 0.000 0.219 198 A C 2.324 179.665 177.584 -0.405 0.000 1.164 198 A CA 1.871 53.916 52.037 0.013 0.000 0.644 198 A CB -0.676 18.526 19.000 0.335 0.000 0.805 198 A HN 0.471 nan 8.150 nan 0.000 0.449 199 S N -0.644 114.475 115.700 -0.968 0.000 2.442 199 S HA -0.024 1.715 4.470 -4.552 0.000 0.236 199 S C 1.329 175.610 174.600 -0.531 0.000 1.007 199 S CA 1.204 58.609 58.200 -1.325 0.000 0.965 199 S CB -0.245 62.452 63.200 -0.837 0.000 0.773 199 S HN 0.305 nan 8.310 nan 0.000 0.504 200 L N 0.755 121.750 121.223 -0.380 0.000 2.640 200 L HA 0.373 1.982 4.340 -4.552 0.000 0.230 200 L C 1.840 178.477 176.870 -0.388 0.000 1.123 200 L CA 1.035 55.633 54.840 -0.402 0.000 0.900 200 L CB -1.442 40.426 42.059 -0.319 0.000 1.146 200 L HN 0.606 nan 8.230 nan 0.000 0.484 201 G N 0.625 109.196 108.800 -0.381 0.000 2.143 201 G HA2 -0.246 0.983 3.960 -4.552 0.000 0.249 201 G HA3 -0.246 0.983 3.960 -4.552 0.000 0.249 201 G C 0.447 175.260 174.900 -0.144 0.000 0.981 201 G CA -0.279 44.509 45.100 -0.520 0.000 0.665 201 G HN 0.191 nan 8.290 nan 0.000 0.528 202 I N 1.747 122.296 120.570 -0.034 0.000 2.598 202 I HA 0.106 1.545 4.170 -4.552 0.000 0.284 202 I C 1.034 177.249 176.117 0.164 0.000 1.140 202 I CA 0.609 61.948 61.300 0.066 0.000 1.420 202 I CB 0.821 38.881 38.000 0.100 0.000 1.387 202 I HN 0.436 nan 8.210 nan 0.000 0.553 203 N N 3.946 122.770 118.700 0.207 0.000 2.197 203 N HA 0.231 2.240 4.740 -4.552 0.000 0.228 203 N C -0.069 175.644 175.510 0.338 0.000 1.212 203 N CA -0.313 52.915 53.050 0.297 0.000 0.883 203 N CB 1.084 39.763 38.487 0.319 0.000 1.107 203 N HN 0.585 nan 8.380 nan 0.000 0.519 204 G N -1.395 107.594 108.800 0.315 0.000 2.698 204 G HA2 0.528 1.757 3.960 -4.552 0.000 0.293 204 G HA3 0.528 1.757 3.960 -4.552 0.000 0.293 204 G C -1.933 173.162 174.900 0.326 0.000 1.437 204 G CA -0.521 44.841 45.100 0.436 0.000 0.852 204 G HN 0.074 nan 8.290 nan 0.000 0.499 205 T N -0.574 114.238 114.554 0.429 0.000 2.952 205 T HA 0.526 2.145 4.350 -4.552 0.000 0.305 205 T C -1.162 173.791 174.700 0.421 0.000 1.064 205 T CA -0.332 61.998 62.100 0.383 0.000 1.008 205 T CB 1.588 70.704 68.868 0.413 0.000 1.078 205 T HN 0.689 nan 8.240 nan 0.000 0.459 206 V N 7.709 127.836 119.914 0.355 0.000 2.328 206 V HA 0.336 1.725 4.120 -4.552 0.000 0.278 206 V C 1.528 177.859 176.094 0.395 0.000 1.021 206 V CA -0.536 61.974 62.300 0.351 0.000 0.838 206 V CB 0.649 32.645 31.823 0.289 0.000 0.999 206 V HN 0.905 nan 8.190 nan 0.000 0.447 207 I N 1.574 122.322 120.570 0.297 0.000 3.419 207 I HA 0.229 1.668 4.170 -4.552 0.000 0.286 207 I C 0.689 177.049 176.117 0.405 0.000 1.268 207 I CA 0.277 61.717 61.300 0.233 0.000 1.414 207 I CB -0.043 37.790 38.000 -0.278 0.000 1.074 207 I HN 0.678 nan 8.210 nan 0.000 0.457 208 N N 1.190 120.094 118.700 0.340 0.000 2.312 208 N HA 0.199 2.208 4.740 -4.552 0.000 0.296 208 N C -1.021 174.639 175.510 0.251 0.000 1.193 208 N CA -0.728 52.503 53.050 0.302 0.000 0.773 208 N CB 0.685 39.288 38.487 0.194 0.000 1.435 208 N HN -0.051 nan 8.380 nan 0.000 0.484 209 N N 0.070 118.881 118.700 0.185 0.000 2.412 209 N HA -0.042 1.967 4.740 -4.552 0.000 0.254 209 N C 1.544 177.061 175.510 0.012 0.000 1.232 209 N CA -0.086 53.023 53.050 0.099 0.000 0.880 209 N CB 0.887 39.374 38.487 0.001 0.000 1.076 209 N HN 0.499 nan 8.380 nan 0.000 0.458 210 V N 0.698 120.554 119.914 -0.096 0.000 2.594 210 V HA -0.073 1.316 4.120 -4.552 0.000 0.253 210 V C 0.545 176.536 176.094 -0.171 0.000 1.069 210 V CA 1.102 63.313 62.300 -0.148 0.000 1.082 210 V CB -0.554 31.119 31.823 -0.250 0.000 0.680 210 V HN 0.498 nan 8.190 nan 0.000 0.469 211 N N 2.642 121.215 118.700 -0.211 0.000 2.739 211 N HA 0.498 2.507 4.740 -4.552 0.000 0.266 211 N C 0.046 175.512 175.510 -0.073 0.000 1.168 211 N CA 0.719 53.688 53.050 -0.136 0.000 1.055 211 N CB 0.725 39.124 38.487 -0.147 0.000 1.393 211 N HN 0.696 nan 8.380 nan 0.000 0.514 212 A N 1.133 123.923 122.820 -0.049 0.000 2.366 212 A HA 0.145 1.734 4.320 -4.552 0.000 0.272 212 A C 0.234 177.797 177.584 -0.034 0.000 1.135 212 A CA -0.531 51.489 52.037 -0.027 0.000 0.804 212 A CB 0.518 19.515 19.000 -0.005 0.000 1.064 212 A HN 0.358 nan 8.150 nan 0.000 0.499 213 D N 3.604 123.964 120.400 -0.066 0.000 2.280 213 D HA 0.279 2.188 4.640 -4.552 0.000 0.243 213 D C -1.471 174.759 176.300 -0.117 0.000 1.129 213 D CA -1.667 52.263 54.000 -0.117 0.000 0.848 213 D CB 1.559 42.238 40.800 -0.201 0.000 1.107 213 D HN 0.239 nan 8.370 nan 0.000 0.471 214 P HA -0.073 nan 4.420 nan 0.000 0.221 214 P C 1.066 178.371 177.300 0.007 0.000 1.150 214 P CA 0.591 63.699 63.100 0.012 0.000 0.800 214 P CB 0.369 32.061 31.700 -0.013 0.000 0.787 215 R N 0.312 120.688 120.500 -0.207 0.000 2.261 215 R HA -0.080 1.529 4.340 -4.552 0.000 0.236 215 R C 2.145 178.291 176.300 -0.256 0.000 1.141 215 R CA 1.426 57.371 56.100 -0.257 0.000 1.001 215 R CB -1.069 28.945 30.300 -0.476 0.000 0.866 215 R HN 0.240 nan 8.270 nan 0.000 0.468 216 V N -1.542 118.201 119.914 -0.284 0.000 2.720 216 V HA -0.121 1.268 4.120 -4.552 0.000 0.256 216 V C 1.642 177.727 176.094 -0.015 0.000 1.082 216 V CA 1.534 63.708 62.300 -0.210 0.000 1.101 216 V CB -0.532 31.195 31.823 -0.160 0.000 0.693 216 V HN 0.230 nan 8.190 nan 0.000 0.479 217 L N 1.798 123.074 121.223 0.088 0.000 2.592 217 L HA 0.241 1.850 4.340 -4.552 0.000 0.227 217 L C 1.296 178.229 176.870 0.106 0.000 1.127 217 L CA 0.385 55.261 54.840 0.060 0.000 0.884 217 L CB -0.330 41.744 42.059 0.025 0.000 1.065 217 L HN 0.535 nan 8.230 nan 0.000 0.457 218 S N -2.154 113.717 115.700 0.287 0.000 2.617 218 S HA 0.079 1.818 4.470 -4.552 0.000 0.269 218 S C 0.694 175.348 174.600 0.089 0.000 1.292 218 S CA -0.621 57.759 58.200 0.300 0.000 1.010 218 S CB 1.818 65.206 63.200 0.313 0.000 0.944 218 S HN 0.102 nan 8.310 nan 0.000 0.536 219 D N 0.574 121.015 120.400 0.067 0.000 2.149 219 D HA -0.179 1.730 4.640 -4.552 0.000 0.198 219 D C 2.021 178.276 176.300 -0.076 0.000 0.990 219 D CA 1.732 55.729 54.000 -0.004 0.000 0.839 219 D CB -0.133 40.724 40.800 0.096 0.000 0.948 219 D HN 0.783 nan 8.370 nan 0.000 0.460 220 Q N -1.066 118.723 119.800 -0.019 0.000 2.077 220 Q HA -0.212 1.397 4.340 -4.552 0.000 0.206 220 Q C 1.710 177.547 176.000 -0.271 0.000 0.989 220 Q CA 1.500 57.233 55.803 -0.117 0.000 0.853 220 Q CB -0.212 28.474 28.738 -0.086 0.000 0.907 220 Q HN 0.365 nan 8.270 nan 0.000 0.418 221 F N -0.087 119.769 119.950 -0.157 0.000 2.335 221 F HA 0.009 1.805 4.527 -4.552 0.000 0.296 221 F C 1.981 177.634 175.800 -0.246 0.000 1.091 221 F CA 0.426 58.295 58.000 -0.218 0.000 1.399 221 F CB 0.038 38.848 39.000 -0.316 0.000 1.067 221 F HN 0.044 nan 8.300 nan 0.000 0.520 222 L N -0.301 120.795 121.223 -0.213 0.000 2.079 222 L HA -0.277 1.332 4.340 -4.552 0.000 0.210 222 L C 2.345 178.834 176.870 -0.635 0.000 1.081 222 L CA 1.419 55.959 54.840 -0.501 0.000 0.752 222 L CB -0.724 40.859 42.059 -0.793 0.000 0.896 222 L HN 0.222 nan 8.230 nan 0.000 0.433 223 Q N -0.070 119.391 119.800 -0.566 0.000 2.084 223 Q HA -0.222 1.387 4.340 -4.552 0.000 0.202 223 Q C 2.223 178.149 176.000 -0.122 0.000 0.978 223 Q CA 1.472 57.110 55.803 -0.275 0.000 0.844 223 Q CB -0.047 28.627 28.738 -0.107 0.000 0.898 223 Q HN 0.499 nan 8.270 nan 0.000 0.426 224 K N 0.421 120.769 120.400 -0.087 0.000 2.025 224 K HA -0.094 1.495 4.320 -4.552 0.000 0.207 224 K C 2.033 178.668 176.600 0.058 0.000 1.049 224 K CA 1.104 57.419 56.287 0.048 0.000 0.933 224 K CB -0.106 32.526 32.500 0.221 0.000 0.714 224 K HN 0.166 nan 8.250 nan 0.000 0.438 225 I N 1.309 121.926 120.570 0.077 0.000 2.286 225 I HA -0.253 1.186 4.170 -4.552 0.000 0.248 225 I C 2.501 178.554 176.117 -0.108 0.000 1.115 225 I CA 0.966 62.277 61.300 0.020 0.000 1.392 225 I CB -0.365 37.665 38.000 0.049 0.000 1.065 225 I HN 0.144 nan 8.210 nan 0.000 0.418 226 A N 0.763 123.522 122.820 -0.102 0.000 1.972 226 A HA -0.154 1.435 4.320 -4.552 0.000 0.219 226 A C 2.547 180.074 177.584 -0.095 0.000 1.169 226 A CA 1.782 53.779 52.037 -0.065 0.000 0.635 226 A CB -0.737 18.272 19.000 0.016 0.000 0.810 226 A HN 0.429 nan 8.150 nan 0.000 0.446 227 A N -0.156 122.597 122.820 -0.112 0.000 1.902 227 A HA -0.027 1.562 4.320 -4.552 0.000 0.217 227 A C 2.155 179.566 177.584 -0.290 0.000 1.181 227 A CA 1.448 53.406 52.037 -0.132 0.000 0.623 227 A CB -0.562 18.385 19.000 -0.088 0.000 0.818 227 A HN 0.478 nan 8.150 nan 0.000 0.443 228 L N -0.801 120.133 121.223 -0.482 0.000 2.017 228 L HA -0.194 1.415 4.340 -4.552 0.000 0.208 228 L C 3.120 179.384 176.870 -1.010 0.000 1.073 228 L CA 1.092 55.373 54.840 -0.932 0.000 0.745 228 L CB -0.658 40.755 42.059 -1.076 0.000 0.894 228 L HN 0.433 nan 8.230 nan 0.000 0.432 229 A N 0.008 122.518 122.820 -0.517 0.000 1.940 229 A HA -0.251 1.338 4.320 -4.552 0.000 0.219 229 A C 1.898 179.421 177.584 -0.102 0.000 1.176 229 A CA 2.104 54.005 52.037 -0.227 0.000 0.631 229 A CB -0.557 18.416 19.000 -0.046 0.000 0.814 229 A HN 0.378 nan 8.150 nan 0.000 0.446 230 D N 0.048 120.385 120.400 -0.105 0.000 2.144 230 D HA -0.056 1.853 4.640 -4.552 0.000 0.199 230 D C 2.176 178.504 176.300 0.046 0.000 0.984 230 D CA 1.523 55.518 54.000 -0.007 0.000 0.834 230 D CB -0.419 40.378 40.800 -0.005 0.000 0.955 230 D HN 0.452 nan 8.370 nan 0.000 0.465 231 A N 0.195 123.004 122.820 -0.019 0.000 1.969 231 A HA -0.113 1.476 4.320 -4.552 0.000 0.218 231 A C 1.752 179.597 177.584 0.436 0.000 1.169 231 A CA 0.805 52.940 52.037 0.162 0.000 0.635 231 A CB -0.586 18.487 19.000 0.122 0.000 0.810 231 A HN 0.107 nan 8.150 nan 0.000 0.445 232 F N -0.364 119.724 119.950 0.230 0.000 2.416 232 F HA 0.127 1.931 4.527 -4.539 0.000 0.296 232 F C 2.185 178.161 175.800 0.294 0.000 1.099 232 F CA 0.398 58.574 58.000 0.293 0.000 1.427 232 F CB -0.916 38.227 39.000 0.238 0.000 1.079 232 F HN 0.247 nan 8.300 nan 0.000 0.536 233 R N 1.104 121.826 120.500 0.370 0.000 2.083 233 R HA -0.143 1.466 4.340 -4.552 0.000 0.237 233 R C -0.671 175.743 176.300 0.190 0.000 1.137 233 R CA 1.803 58.051 56.100 0.246 0.000 0.951 233 R CB -1.439 28.956 30.300 0.159 0.000 0.851 233 R HN 0.113 nan 8.270 nan 0.000 0.434 234 P HA -0.139 nan 4.420 nan 0.000 0.222 234 P C 0.178 177.378 177.300 -0.166 0.000 1.147 234 P CA 1.333 64.403 63.100 -0.050 0.000 0.790 234 P CB -0.088 31.528 31.700 -0.140 0.000 0.780 235 Y N -0.673 119.736 120.300 0.183 0.000 2.461 235 Y HA 0.369 2.188 4.550 -4.550 0.000 0.277 235 Y C 1.870 177.884 175.900 0.190 0.000 1.182 235 Y CA 0.562 58.778 58.100 0.193 0.000 1.276 235 Y CB -0.535 38.059 38.460 0.224 0.000 1.087 235 Y HN 0.047 nan 8.280 nan 0.000 0.519 236 G N 0.799 109.751 108.800 0.252 0.000 2.148 236 G HA2 -0.301 0.928 3.960 -4.552 0.000 0.254 236 G HA3 -0.301 0.928 3.960 -4.552 0.000 0.254 236 G C 0.011 175.092 174.900 0.302 0.000 0.981 236 G CA 0.037 45.278 45.100 0.235 0.000 0.670 236 G HN 0.338 nan 8.290 nan 0.000 0.528 237 I N 1.142 121.908 120.570 0.327 0.000 2.297 237 I HA 0.292 1.731 4.170 -4.552 0.000 0.291 237 I C 0.698 177.016 176.117 0.334 0.000 1.033 237 I CA -0.557 60.934 61.300 0.320 0.000 1.253 237 I CB 1.089 39.237 38.000 0.245 0.000 1.396 237 I HN -0.054 nan 8.210 nan 0.000 0.476 238 K N 5.446 126.031 120.400 0.308 0.000 2.185 238 K HA 0.375 1.964 4.320 -4.552 0.000 0.271 238 K C -0.290 176.419 176.600 0.183 0.000 1.013 238 K CA -0.779 55.618 56.287 0.184 0.000 0.943 238 K CB 1.151 33.687 32.500 0.061 0.000 0.998 238 K HN 0.375 nan 8.250 nan 0.000 0.468 239 M N 3.097 122.704 119.600 0.012 0.000 2.180 239 M HA 0.228 1.977 4.480 -4.552 0.000 0.358 239 M C -1.621 174.401 176.300 -0.463 0.000 1.233 239 M CA 0.249 55.559 55.300 0.018 0.000 1.114 239 M CB 0.278 32.943 32.600 0.107 0.000 1.594 239 M HN 0.391 nan 8.290 nan 0.000 0.467 240 Y N 4.249 124.475 120.300 -0.123 0.000 2.576 240 Y HA 0.746 2.575 4.550 -4.536 0.000 0.346 240 Y C -1.086 174.874 175.900 0.100 0.000 1.018 240 Y CA -0.916 57.043 58.100 -0.234 0.000 1.050 240 Y CB 1.616 40.066 38.460 -0.015 0.000 1.280 240 Y HN 0.564 nan 8.280 nan 0.000 0.474 241 L N 1.161 122.642 121.223 0.430 0.000 2.381 241 L HA 0.534 2.143 4.340 -4.552 0.000 0.268 241 L C -0.493 176.580 176.870 0.339 0.000 0.997 241 L CA -0.884 54.201 54.840 0.408 0.000 0.818 241 L CB 2.274 44.599 42.059 0.444 0.000 1.310 241 L HN 0.566 nan 8.230 nan 0.000 0.416 242 S N 2.833 118.670 115.700 0.228 0.000 2.549 242 S HA 0.467 2.206 4.470 -4.552 0.000 0.279 242 S C -0.258 174.378 174.600 0.060 0.000 1.321 242 S CA -0.408 57.876 58.200 0.140 0.000 1.054 242 S CB 0.500 63.764 63.200 0.107 0.000 0.899 242 S HN 0.403 nan 8.310 nan 0.000 0.497 243 I N 0.654 121.218 120.570 -0.010 0.000 2.693 243 I HA 0.575 2.014 4.170 -4.552 0.000 0.303 243 I C -0.300 175.841 176.117 0.041 0.000 1.025 243 I CA -0.848 60.429 61.300 -0.038 0.000 1.086 243 I CB 1.298 39.140 38.000 -0.264 0.000 1.268 243 I HN 0.373 nan 8.210 nan 0.000 0.440 244 N N 3.406 122.177 118.700 0.120 0.000 2.426 244 N HA 0.168 2.177 4.740 -4.552 0.000 0.257 244 N C 0.162 175.840 175.510 0.280 0.000 1.002 244 N CA -0.279 52.862 53.050 0.153 0.000 0.942 244 N CB 0.750 39.299 38.487 0.103 0.000 1.112 244 N HN 0.827 nan 8.380 nan 0.000 0.499 245 F N 4.096 124.126 119.950 0.134 0.000 2.269 245 F HA -0.024 1.771 4.527 -4.553 0.000 0.301 245 F C 1.360 177.323 175.800 0.271 0.000 1.082 245 F CA 1.062 59.188 58.000 0.210 0.000 1.360 245 F CB 0.227 39.325 39.000 0.162 0.000 1.041 245 F HN 0.494 nan 8.300 nan 0.000 0.512 246 N N -0.305 118.558 118.700 0.272 0.000 2.449 246 N HA -0.024 1.985 4.740 -4.552 0.000 0.191 246 N C 1.674 177.143 175.510 -0.069 0.000 1.161 246 N CA 0.557 53.682 53.050 0.124 0.000 0.863 246 N CB -0.188 38.399 38.487 0.167 0.000 0.980 246 N HN 0.124 nan 8.380 nan 0.000 0.458 247 S N 1.177 116.818 115.700 -0.098 0.000 2.380 247 S HA -0.123 1.616 4.470 -4.552 0.000 0.229 247 S C -0.720 173.387 174.600 -0.821 0.000 1.043 247 S CA 1.209 59.234 58.200 -0.291 0.000 1.038 247 S CB -0.943 62.115 63.200 -0.237 0.000 0.872 247 S HN 0.397 nan 8.310 nan 0.000 0.456 248 P HA -0.097 nan 4.420 nan 0.000 0.216 248 P C 1.309 178.200 177.300 -0.681 0.000 1.150 248 P CA 1.246 63.332 63.100 -1.690 0.000 0.843 248 P CB -0.023 30.927 31.700 -1.251 0.000 0.787 249 R N -0.510 119.757 120.500 -0.387 0.000 2.073 249 R HA 0.062 1.671 4.340 -4.552 0.000 0.229 249 R C 2.377 178.611 176.300 -0.109 0.000 1.120 249 R CA 1.341 57.340 56.100 -0.169 0.000 0.967 249 R CB -1.131 29.126 30.300 -0.072 0.000 0.862 249 R HN 0.115 nan 8.270 nan 0.000 0.436 250 A N 0.739 123.497 122.820 -0.105 0.000 1.972 250 A HA -0.135 1.454 4.320 -4.552 0.000 0.219 250 A C 1.686 179.177 177.584 -0.153 0.000 1.169 250 A CA 1.193 53.164 52.037 -0.110 0.000 0.635 250 A CB -0.532 18.399 19.000 -0.115 0.000 0.810 250 A HN 0.228 nan 8.150 nan 0.000 0.446 251 F N -0.445 119.424 119.950 -0.135 0.000 2.748 251 F HA 0.266 2.061 4.527 -4.553 0.000 0.299 251 F C 1.918 177.705 175.800 -0.022 0.000 1.154 251 F CA 0.759 58.742 58.000 -0.030 0.000 1.446 251 F CB -0.137 38.930 39.000 0.111 0.000 1.112 251 F HN 0.379 nan 8.300 nan 0.000 0.584 252 G N 0.152 108.985 108.800 0.055 0.000 2.153 252 G HA2 -0.302 0.927 3.960 -4.552 0.000 0.252 252 G HA3 -0.302 0.927 3.960 -4.552 0.000 0.252 252 G C 0.827 175.754 174.900 0.045 0.000 0.994 252 G CA 0.642 45.759 45.100 0.028 0.000 0.698 252 G HN 0.345 nan 8.290 nan 0.000 0.521 253 D N -0.965 119.463 120.400 0.047 0.000 2.301 253 D HA 0.232 2.141 4.640 -4.552 0.000 0.206 253 D C 1.096 177.397 176.300 0.001 0.000 0.979 253 D CA 1.136 55.182 54.000 0.077 0.000 0.874 253 D CB 0.755 41.708 40.800 0.256 0.000 0.968 253 D HN 0.400 nan 8.370 nan 0.000 0.510 254 V N 1.768 121.621 119.914 -0.101 0.000 2.971 254 V HA 0.118 1.507 4.120 -4.552 0.000 0.309 254 V C -0.182 175.860 176.094 -0.086 0.000 1.130 254 V CA -0.871 61.373 62.300 -0.094 0.000 0.964 254 V CB 2.434 34.163 31.823 -0.156 0.000 1.029 254 V HN -0.081 nan 8.190 nan 0.000 0.427 255 D N 0.226 120.602 120.400 -0.041 0.000 2.319 255 D HA 0.135 2.044 4.640 -4.552 0.000 0.230 255 D C 0.400 176.704 176.300 0.008 0.000 1.094 255 D CA 0.217 54.210 54.000 -0.012 0.000 0.856 255 D CB 0.730 41.534 40.800 0.007 0.000 0.915 255 D HN 0.547 nan 8.370 nan 0.000 0.517 256 T N -2.060 112.472 114.554 -0.037 0.000 2.821 256 T HA 0.612 2.231 4.350 -4.552 0.000 0.306 256 T C -1.115 173.449 174.700 -0.227 0.000 1.313 256 T CA -0.219 61.854 62.100 -0.046 0.000 1.012 256 T CB 1.452 70.302 68.868 -0.031 0.000 1.298 256 T HN -0.090 nan 8.240 nan 0.000 0.502 257 A N 1.677 124.178 122.820 -0.532 0.000 2.589 257 A HA 0.395 1.984 4.320 -4.552 0.000 0.283 257 A C 0.232 177.372 177.584 -0.740 0.000 1.187 257 A CA -0.118 51.572 52.037 -0.579 0.000 0.957 257 A CB -0.147 18.666 19.000 -0.311 0.000 1.175 257 A HN 0.744 nan 8.150 nan 0.000 0.532 258 D N 1.696 121.587 120.400 -0.848 0.000 2.451 258 D HA 0.048 1.957 4.640 -4.552 0.000 0.254 258 D C -1.140 175.114 176.300 -0.077 0.000 1.204 258 D CA -1.464 52.301 54.000 -0.391 0.000 0.896 258 D CB 1.136 41.853 40.800 -0.139 0.000 1.136 258 D HN 0.164 nan 8.370 nan 0.000 0.499 259 P HA -0.105 nan 4.420 nan 0.000 0.225 259 P C 1.357 178.707 177.300 0.083 0.000 1.148 259 P CA 0.682 63.863 63.100 0.133 0.000 0.779 259 P CB 0.282 32.148 31.700 0.277 0.000 0.780 260 L N -0.859 120.402 121.223 0.062 0.000 2.558 260 L HA 0.138 1.748 4.340 -4.552 0.000 0.225 260 L C 1.167 178.059 176.870 0.036 0.000 1.128 260 L CA 0.158 55.025 54.840 0.044 0.000 0.868 260 L CB -0.561 41.520 42.059 0.036 0.000 1.006 260 L HN -0.038 nan 8.230 nan 0.000 0.454 261 D N 1.334 121.750 120.400 0.028 0.000 2.343 261 D HA 0.066 1.975 4.640 -4.552 0.000 0.255 261 D C -1.671 174.654 176.300 0.041 0.000 1.187 261 D CA -1.639 52.375 54.000 0.023 0.000 0.875 261 D CB 1.972 42.771 40.800 -0.002 0.000 1.136 261 D HN -0.091 nan 8.370 nan 0.000 0.469 262 P HA -0.102 nan 4.420 nan 0.000 0.219 262 P C 1.102 178.441 177.300 0.066 0.000 1.146 262 P CA 1.067 64.199 63.100 0.052 0.000 0.808 262 P CB 0.280 32.003 31.700 0.039 0.000 0.779 263 R N -0.883 119.650 120.500 0.055 0.000 2.115 263 R HA -0.041 1.568 4.340 -4.552 0.000 0.230 263 R C 2.056 178.417 176.300 0.102 0.000 1.111 263 R CA 0.993 57.133 56.100 0.066 0.000 0.976 263 R CB -1.062 29.262 30.300 0.041 0.000 0.870 263 R HN 0.121 nan 8.270 nan 0.000 0.445 264 V N 1.276 121.239 119.914 0.081 0.000 2.307 264 V HA -0.241 1.148 4.120 -4.552 0.000 0.245 264 V C 2.208 178.472 176.094 0.283 0.000 1.045 264 V CA 1.689 64.065 62.300 0.125 0.000 1.024 264 V CB -0.491 31.358 31.823 0.043 0.000 0.651 264 V HN 0.329 nan 8.190 nan 0.000 0.449 265 Q N -0.340 119.586 119.800 0.210 0.000 2.096 265 Q HA -0.324 1.285 4.340 -4.552 0.000 0.204 265 Q C 2.345 178.486 176.000 0.235 0.000 0.982 265 Q CA 2.168 58.106 55.803 0.226 0.000 0.850 265 Q CB -0.243 28.577 28.738 0.137 0.000 0.901 265 Q HN 0.592 nan 8.270 nan 0.000 0.422 266 Q N -0.044 119.859 119.800 0.171 0.000 2.119 266 Q HA -0.180 1.429 4.340 -4.552 0.000 0.201 266 Q C 1.480 177.550 176.000 0.117 0.000 0.972 266 Q CA 1.432 57.310 55.803 0.124 0.000 0.847 266 Q CB -0.432 28.354 28.738 0.081 0.000 0.903 266 Q HN 0.507 nan 8.270 nan 0.000 0.433 267 W N -0.631 120.643 121.300 -0.044 0.000 2.338 267 W HA -0.184 1.743 4.660 -4.554 0.000 0.304 267 W C 1.195 177.583 176.519 -0.218 0.000 1.212 267 W CA 1.771 59.001 57.345 -0.191 0.000 1.264 267 W CB -0.454 28.810 29.460 -0.326 0.000 1.142 267 W HN 0.242 nan 8.180 nan 0.000 0.512 268 W N 0.600 122.066 121.300 0.276 0.000 2.388 268 W HA -0.088 1.841 4.660 -4.551 0.000 0.294 268 W C 2.614 179.166 176.519 0.055 0.000 1.212 268 W CA 1.677 59.138 57.345 0.194 0.000 1.271 268 W CB -0.687 28.938 29.460 0.275 0.000 1.126 268 W HN -0.206 nan 8.180 nan 0.000 0.535 269 K N -0.068 120.482 120.400 0.250 0.000 2.026 269 K HA -0.174 1.415 4.320 -4.552 0.000 0.208 269 K C 1.801 178.437 176.600 0.059 0.000 1.048 269 K CA 2.107 58.495 56.287 0.169 0.000 0.929 269 K CB -0.520 32.059 32.500 0.130 0.000 0.713 269 K HN -0.040 nan 8.250 nan 0.000 0.439 270 T N 0.626 115.133 114.554 -0.079 0.000 2.746 270 T HA -0.114 1.505 4.350 -4.552 0.000 0.267 270 T C 1.842 176.363 174.700 -0.298 0.000 1.039 270 T CA 1.397 63.385 62.100 -0.186 0.000 1.142 270 T CB -0.210 68.493 68.868 -0.274 0.000 0.866 270 T HN 0.210 nan 8.240 nan 0.000 0.444 271 R N 1.620 121.833 120.500 -0.479 0.000 2.092 271 R HA 0.149 1.758 4.340 -4.552 0.000 0.231 271 R C 2.380 178.554 176.300 -0.210 0.000 1.119 271 R CA 1.528 57.304 56.100 -0.539 0.000 0.970 271 R CB -1.006 28.742 30.300 -0.920 0.000 0.864 271 R HN 0.355 nan 8.270 nan 0.000 0.440 272 A N 0.233 123.043 122.820 -0.016 0.000 1.902 272 A HA -0.215 1.374 4.320 -4.552 0.000 0.217 272 A C 2.053 179.509 177.584 -0.212 0.000 1.181 272 A CA 1.606 53.650 52.037 0.012 0.000 0.623 272 A CB -0.488 18.619 19.000 0.178 0.000 0.818 272 A HN 0.513 nan 8.150 nan 0.000 0.443 273 Q N -0.572 119.145 119.800 -0.137 0.000 2.084 273 Q HA -0.202 1.407 4.340 -4.552 0.000 0.202 273 Q C 2.200 178.100 176.000 -0.167 0.000 0.978 273 Q CA 1.802 57.525 55.803 -0.134 0.000 0.844 273 Q CB -0.209 28.566 28.738 0.061 0.000 0.898 273 Q HN 0.734 nan 8.270 nan 0.000 0.426 274 K N 1.017 121.318 120.400 -0.164 0.000 2.002 274 K HA -0.173 1.416 4.320 -4.552 0.000 0.209 274 K C 1.987 178.535 176.600 -0.087 0.000 1.048 274 K CA 1.256 57.466 56.287 -0.128 0.000 0.930 274 K CB -0.124 32.292 32.500 -0.140 0.000 0.714 274 K HN 0.131 nan 8.250 nan 0.000 0.438 275 I N 0.235 120.680 120.570 -0.209 0.000 2.118 275 I HA -0.313 1.126 4.170 -4.552 0.000 0.241 275 I C 1.962 177.825 176.117 -0.424 0.000 1.070 275 I CA 1.551 62.622 61.300 -0.382 0.000 1.327 275 I CB -0.366 37.190 38.000 -0.740 0.000 1.034 275 I HN 0.209 nan 8.210 nan 0.000 0.405 276 Y N 0.795 120.826 120.300 -0.447 0.000 2.497 276 Y HA -0.200 1.619 4.550 -4.552 0.000 0.292 276 Y C 2.894 178.675 175.900 -0.199 0.000 1.137 276 Y CA 1.283 59.157 58.100 -0.377 0.000 1.285 276 Y CB -0.468 37.546 38.460 -0.743 0.000 0.991 276 Y HN 0.279 nan 8.280 nan 0.000 0.556 277 S N -1.175 114.470 115.700 -0.091 0.000 2.383 277 S HA -0.225 1.515 4.470 -4.552 0.000 0.227 277 S C 1.636 176.133 174.600 -0.171 0.000 1.026 277 S CA 1.171 59.291 58.200 -0.132 0.000 0.981 277 S CB -0.843 62.224 63.200 -0.220 0.000 0.818 277 S HN 0.468 nan 8.310 nan 0.000 0.472 278 Y N 1.332 121.559 120.300 -0.122 0.000 2.365 278 Y HA 0.436 2.256 4.550 -4.551 0.000 0.293 278 Y C 0.976 176.818 175.900 -0.095 0.000 1.119 278 Y CA 0.228 58.264 58.100 -0.107 0.000 1.203 278 Y CB 0.162 38.541 38.460 -0.135 0.000 1.026 278 Y HN 0.238 nan 8.280 nan 0.000 0.549 279 I N 0.668 121.247 120.570 0.015 0.000 2.714 279 I HA 0.202 1.641 4.170 -4.552 0.000 0.276 279 I C -2.248 173.865 176.117 -0.007 0.000 1.196 279 I CA -1.578 59.716 61.300 -0.010 0.000 1.068 279 I CB 1.778 39.761 38.000 -0.028 0.000 1.291 279 I HN -0.152 nan 8.210 nan 0.000 0.530 280 P HA -0.125 nan 4.420 nan 0.000 0.225 280 P C 0.469 177.964 177.300 0.325 0.000 1.148 280 P CA 1.200 64.430 63.100 0.217 0.000 0.779 280 P CB 0.011 31.803 31.700 0.153 0.000 0.780 281 D N -1.931 118.598 120.400 0.214 0.000 2.559 281 D HA 0.011 1.920 4.640 -4.552 0.000 0.234 281 D C -0.007 176.380 176.300 0.145 0.000 1.226 281 D CA -1.071 53.059 54.000 0.216 0.000 0.830 281 D CB -1.227 39.661 40.800 0.147 0.000 1.028 281 D HN 0.018 nan 8.370 nan 0.000 0.492 282 F N 1.587 121.439 119.950 -0.162 0.000 2.629 282 F HA 0.319 2.119 4.527 -4.545 0.000 0.377 282 F C 1.662 177.282 175.800 -0.301 0.000 1.101 282 F CA 0.740 58.497 58.000 -0.405 0.000 1.301 282 F CB 1.181 39.620 39.000 -0.936 0.000 1.062 282 F HN 0.049 nan 8.300 nan 0.000 0.583 283 G N 3.071 111.206 108.800 -1.109 0.000 2.403 283 G HA2 0.376 1.605 3.960 -4.552 0.000 0.216 283 G HA3 0.376 1.605 3.960 -4.552 0.000 0.216 283 G C 0.640 174.970 174.900 -0.949 0.000 1.154 283 G CA 0.615 44.938 45.100 -1.295 0.000 0.784 283 G HN 1.425 nan 8.290 nan 0.000 0.538 284 G N -1.449 106.626 108.800 -1.208 0.000 2.278 284 G HA2 0.278 1.507 3.960 -4.552 0.000 0.265 284 G HA3 0.278 1.507 3.960 -4.552 0.000 0.265 284 G C -1.463 173.368 174.900 -0.115 0.000 1.329 284 G CA -0.851 43.938 45.100 -0.518 0.000 1.017 284 G HN 0.230 nan 8.290 nan 0.000 0.472 285 F N -0.162 119.806 119.950 0.030 0.000 2.522 285 F HA 0.818 2.612 4.527 -4.555 0.000 0.324 285 F C 0.183 176.031 175.800 0.080 0.000 1.077 285 F CA -1.406 56.671 58.000 0.128 0.000 0.944 285 F CB 1.818 40.909 39.000 0.151 0.000 1.175 285 F HN 0.484 nan 8.300 nan 0.000 0.468 286 L N 2.973 124.416 121.223 0.366 0.000 2.309 286 L HA 0.814 2.423 4.340 -4.552 0.000 0.282 286 L C -1.053 175.890 176.870 0.121 0.000 1.036 286 L CA -0.580 54.427 54.840 0.279 0.000 0.806 286 L CB 1.536 43.759 42.059 0.273 0.000 1.220 286 L HN 0.326 nan 8.230 nan 0.000 0.429 287 V N 4.757 124.656 119.914 -0.025 0.000 2.525 287 V HA 0.461 1.850 4.120 -4.552 0.000 0.299 287 V C -0.493 175.332 176.094 -0.449 0.000 1.034 287 V CA -0.867 61.275 62.300 -0.263 0.000 0.863 287 V CB 1.492 33.028 31.823 -0.478 0.000 0.999 287 V HN 0.744 nan 8.190 nan 0.000 0.423 288 K N 3.617 123.820 120.400 -0.329 0.000 2.339 288 K HA 0.837 2.426 4.320 -4.552 0.000 0.264 288 K C -0.644 175.781 176.600 -0.291 0.000 0.986 288 K CA -0.280 55.814 56.287 -0.323 0.000 0.866 288 K CB 1.504 33.874 32.500 -0.216 0.000 1.103 288 K HN 0.904 nan 8.250 nan 0.000 0.441 289 A N 3.769 126.386 122.820 -0.339 0.000 2.414 289 A HA 0.418 2.007 4.320 -4.552 0.000 0.306 289 A C -0.800 176.758 177.584 -0.042 0.000 1.054 289 A CA -0.551 51.362 52.037 -0.207 0.000 0.724 289 A CB 0.855 19.645 19.000 -0.349 0.000 1.267 289 A HN 0.935 nan 8.150 nan 0.000 0.418 290 D N 0.182 120.585 120.400 0.004 0.000 2.708 290 D HA -0.133 1.776 4.640 -4.552 0.000 0.236 290 D C -0.079 176.255 176.300 0.056 0.000 1.146 290 D CA 1.924 55.954 54.000 0.049 0.000 0.662 290 D CB -0.922 39.942 40.800 0.107 0.000 1.059 290 D HN 0.605 nan 8.370 nan 0.000 0.428 291 S N -1.152 114.563 115.700 0.026 0.000 2.672 291 S HA 0.545 2.284 4.470 -4.552 0.000 0.291 291 S C 0.256 174.879 174.600 0.039 0.000 1.145 291 S CA 0.614 58.835 58.200 0.035 0.000 1.013 291 S CB 1.544 64.737 63.200 -0.012 0.000 1.017 291 S HN 0.939 nan 8.310 nan 0.000 0.487 292 A N 3.021 125.898 122.820 0.094 0.000 2.822 292 A HA 0.056 1.645 4.320 -4.552 0.000 0.287 292 A C 1.591 179.224 177.584 0.082 0.000 1.479 292 A CA 1.202 53.309 52.037 0.116 0.000 0.779 292 A CB -2.236 16.804 19.000 0.067 0.000 1.022 292 A HN 2.677 nan 8.150 nan 0.000 0.532 293 G N -2.562 106.282 108.800 0.073 0.000 2.162 293 G HA2 -0.231 0.998 3.960 -4.552 0.000 0.260 293 G HA3 -0.231 0.998 3.960 -4.552 0.000 0.260 293 G C -0.051 174.869 174.900 0.034 0.000 0.976 293 G CA 0.750 45.882 45.100 0.052 0.000 0.655 293 G HN 1.373 nan 8.290 nan 0.000 0.533 294 Q N 0.845 120.658 119.800 0.022 0.000 2.304 294 Q HA 0.373 1.982 4.340 -4.552 0.000 0.260 294 Q C -2.093 173.928 176.000 0.036 0.000 0.965 294 Q CA -1.730 54.081 55.803 0.014 0.000 0.898 294 Q CB 0.969 29.691 28.738 -0.026 0.000 1.196 294 Q HN 0.278 nan 8.270 nan 0.000 0.402 295 P HA 0.251 nan 4.420 nan 0.000 0.269 295 P C -0.194 177.181 177.300 0.125 0.000 1.217 295 P CA 0.041 63.224 63.100 0.137 0.000 0.783 295 P CB 0.695 32.537 31.700 0.235 0.000 0.898 296 G N 0.385 109.247 108.800 0.103 0.000 2.488 296 G HA2 0.369 1.598 3.960 -4.552 0.000 0.301 296 G HA3 0.369 1.598 3.960 -4.552 0.000 0.301 296 G C -2.654 172.110 174.900 -0.225 0.000 1.339 296 G CA -0.786 44.181 45.100 -0.221 0.000 0.803 296 G HN 0.081 nan 8.290 nan 0.000 0.482 297 P HA -0.078 nan 4.420 nan 0.000 0.218 297 P C 1.496 178.830 177.300 0.056 0.000 1.148 297 P CA 1.035 64.072 63.100 -0.105 0.000 0.822 297 P CB 0.284 31.898 31.700 -0.143 0.000 0.784 298 Q N -0.686 119.094 119.800 -0.034 0.000 2.291 298 Q HA -0.018 1.591 4.340 -4.552 0.000 0.205 298 Q C 2.264 178.220 176.000 -0.074 0.000 0.970 298 Q CA 1.430 57.194 55.803 -0.065 0.000 0.876 298 Q CB -1.068 27.617 28.738 -0.089 0.000 0.935 298 Q HN 0.282 nan 8.270 nan 0.000 0.455 299 G N -0.916 107.819 108.800 -0.110 0.000 2.498 299 G HA2 -0.202 1.027 3.960 -4.552 0.000 0.219 299 G HA3 -0.202 1.027 3.960 -4.552 0.000 0.219 299 G C 0.519 175.042 174.900 -0.629 0.000 1.119 299 G CA 0.442 45.335 45.100 -0.345 0.000 0.766 299 G HN 0.343 nan 8.290 nan 0.000 0.552 300 Y N -0.559 119.768 120.300 0.046 0.000 2.660 300 Y HA 0.398 2.216 4.550 -4.553 0.000 0.254 300 Y C 1.708 177.619 175.900 0.019 0.000 1.176 300 Y CA -0.715 57.418 58.100 0.054 0.000 1.195 300 Y CB 0.461 38.988 38.460 0.111 0.000 1.190 300 Y HN 0.156 nan 8.280 nan 0.000 0.535 301 G N 1.086 109.914 108.800 0.048 0.000 2.225 301 G HA2 -0.264 0.965 3.960 -4.552 0.000 0.267 301 G HA3 -0.264 0.965 3.960 -4.552 0.000 0.267 301 G C 0.129 175.031 174.900 0.003 0.000 1.024 301 G CA -0.109 44.995 45.100 0.007 0.000 0.784 301 G HN 0.124 nan 8.290 nan 0.000 0.507 302 R N 0.171 120.683 120.500 0.021 0.000 2.828 302 R HA 0.584 2.193 4.340 -4.552 0.000 0.264 302 R C 0.206 176.432 176.300 -0.123 0.000 1.022 302 R CA -0.356 55.731 56.100 -0.021 0.000 1.021 302 R CB 0.894 31.224 30.300 0.051 0.000 1.163 302 R HN 0.470 nan 8.270 nan 0.000 0.494 303 D N -1.570 118.721 120.400 -0.182 0.000 2.432 303 D HA 0.117 2.026 4.640 -4.552 0.000 0.258 303 D C 0.621 176.743 176.300 -0.296 0.000 1.146 303 D CA -0.310 53.492 54.000 -0.329 0.000 1.015 303 D CB 0.362 40.965 40.800 -0.329 0.000 1.107 303 D HN 0.511 nan 8.370 nan 0.000 0.529 304 H N -0.565 118.384 119.070 -0.203 0.000 2.457 304 H HA 0.099 1.926 4.556 -4.548 0.000 0.294 304 H C 1.848 176.902 175.328 -0.457 0.000 1.064 304 H CA 1.258 57.157 56.048 -0.248 0.000 1.330 304 H CB -0.029 29.729 29.762 -0.006 0.000 1.395 304 H HN 0.482 nan 8.280 nan 0.000 0.541 305 A N 1.309 123.898 122.820 -0.385 0.000 1.898 305 A HA -0.175 1.414 4.320 -4.552 0.000 0.216 305 A C 2.060 179.452 177.584 -0.320 0.000 1.181 305 A CA 1.486 53.160 52.037 -0.605 0.000 0.620 305 A CB -0.223 18.215 19.000 -0.936 0.000 0.819 305 A HN 0.453 nan 8.150 nan 0.000 0.442 306 E N -0.516 119.544 120.200 -0.234 0.000 2.077 306 E HA -0.125 1.494 4.350 -4.552 0.000 0.193 306 E C 2.106 178.686 176.600 -0.035 0.000 0.989 306 E CA 0.852 57.186 56.400 -0.111 0.000 0.800 306 E CB -0.339 29.317 29.700 -0.072 0.000 0.746 306 E HN 0.607 nan 8.360 nan 0.000 0.452 307 G N 1.158 109.920 108.800 -0.063 0.000 2.404 307 G HA2 -0.206 1.023 3.960 -4.552 0.000 0.215 307 G HA3 -0.206 1.023 3.960 -4.552 0.000 0.215 307 G C 1.707 176.640 174.900 0.055 0.000 1.174 307 G CA 0.784 45.954 45.100 0.117 0.000 0.780 307 G HN 0.341 nan 8.290 nan 0.000 0.537 308 A N 1.354 123.913 122.820 -0.435 0.000 1.902 308 A HA -0.081 1.508 4.320 -4.552 0.000 0.217 308 A C 2.255 179.854 177.584 0.025 0.000 1.181 308 A CA 1.922 53.814 52.037 -0.243 0.000 0.623 308 A CB -0.453 18.285 19.000 -0.436 0.000 0.818 308 A HN 0.339 nan 8.150 nan 0.000 0.443 309 N N -0.536 118.157 118.700 -0.012 0.000 2.244 309 N HA -0.122 1.887 4.740 -4.552 0.000 0.183 309 N C 1.654 177.192 175.510 0.046 0.000 1.016 309 N CA 1.356 54.421 53.050 0.025 0.000 0.866 309 N CB -0.466 38.012 38.487 -0.015 0.000 0.980 309 N HN 0.492 nan 8.380 nan 0.000 0.430 310 M N 0.777 120.410 119.600 0.055 0.000 2.086 310 M HA -0.072 1.677 4.480 -4.552 0.000 0.261 310 M C 1.694 178.029 176.300 0.059 0.000 1.067 310 M CA 1.265 56.606 55.300 0.068 0.000 1.116 310 M CB -0.521 32.128 32.600 0.083 0.000 1.348 310 M HN 0.074 nan 8.290 nan 0.000 0.407 311 L N 0.160 121.406 121.223 0.038 0.000 2.046 311 L HA -0.162 1.447 4.340 -4.552 0.000 0.208 311 L C 2.733 179.670 176.870 0.112 0.000 1.077 311 L CA 1.251 56.120 54.840 0.049 0.000 0.747 311 L CB -1.145 40.991 42.059 0.129 0.000 0.896 311 L HN 0.355 nan 8.230 nan 0.000 0.432 312 A N 0.119 122.998 122.820 0.098 0.000 1.933 312 A HA -0.162 1.427 4.320 -4.552 0.000 0.218 312 A C 2.526 180.147 177.584 0.061 0.000 1.175 312 A CA 1.719 53.795 52.037 0.065 0.000 0.628 312 A CB -0.648 18.390 19.000 0.063 0.000 0.814 312 A HN 0.409 nan 8.150 nan 0.000 0.444 313 A N -0.258 122.604 122.820 0.070 0.000 1.969 313 A HA 0.206 1.795 4.320 -4.552 0.000 0.218 313 A C 2.442 180.080 177.584 0.090 0.000 1.169 313 A CA 1.849 53.925 52.037 0.065 0.000 0.635 313 A CB -0.838 18.200 19.000 0.063 0.000 0.810 313 A HN 1.010 nan 8.150 nan 0.000 0.445 314 A N -0.399 122.506 122.820 0.141 0.000 1.930 314 A HA 0.044 1.633 4.320 -4.552 0.000 0.217 314 A C 2.065 179.780 177.584 0.218 0.000 1.175 314 A CA 1.392 53.553 52.037 0.208 0.000 0.627 314 A CB -0.432 18.757 19.000 0.315 0.000 0.815 314 A HN 0.465 nan 8.150 nan 0.000 0.443 315 L N -1.357 119.948 121.223 0.137 0.000 2.375 315 L HA -0.015 1.594 4.340 -4.552 0.000 0.215 315 L C 2.381 179.304 176.870 0.088 0.000 1.108 315 L CA 1.062 55.977 54.840 0.125 0.000 0.830 315 L CB -0.235 41.812 42.059 -0.022 0.000 0.959 315 L HN 0.298 nan 8.230 nan 0.000 0.457 316 K N 1.333 121.756 120.400 0.037 0.000 2.063 316 K HA -0.139 1.450 4.320 -4.552 0.000 0.208 316 K C -0.640 175.905 176.600 -0.091 0.000 1.048 316 K CA 1.521 57.803 56.287 -0.009 0.000 0.928 316 K CB -1.085 31.413 32.500 -0.002 0.000 0.713 316 K HN 0.116 nan 8.250 nan 0.000 0.442 317 P HA -0.066 nan 4.420 nan 0.000 0.225 317 P C 0.235 177.165 177.300 -0.617 0.000 1.148 317 P CA 1.042 63.886 63.100 -0.428 0.000 0.779 317 P CB 0.068 31.401 31.700 -0.612 0.000 0.780 318 F N -1.953 117.802 119.950 -0.324 0.000 2.695 318 F HA 0.410 2.206 4.527 -4.552 0.000 0.303 318 F C 1.689 177.285 175.800 -0.341 0.000 1.091 318 F CA 0.365 58.032 58.000 -0.557 0.000 1.300 318 F CB -0.429 37.693 39.000 -1.463 0.000 1.071 318 F HN -0.056 nan 8.300 nan 0.000 0.578 319 G N 0.590 109.375 108.800 -0.026 0.000 2.136 319 G HA2 -0.180 1.049 3.960 -4.552 0.000 0.242 319 G HA3 -0.180 1.049 3.960 -4.552 0.000 0.242 319 G C 0.624 175.587 174.900 0.105 0.000 0.989 319 G CA -0.150 44.983 45.100 0.055 0.000 0.682 319 G HN 0.732 nan 8.290 nan 0.000 0.522 320 G N -1.196 107.665 108.800 0.103 0.000 2.504 320 G HA2 0.809 2.038 3.960 -4.552 0.000 0.288 320 G HA3 0.809 2.038 3.960 -4.552 0.000 0.288 320 G C 0.236 175.107 174.900 -0.048 0.000 1.182 320 G CA 0.226 45.374 45.100 0.080 0.000 0.894 320 G HN 1.593 nan 8.290 nan 0.000 0.521 321 V N -1.824 117.984 119.914 -0.177 0.000 3.046 321 V HA 0.816 2.205 4.120 -4.552 0.000 0.316 321 V C -0.518 175.366 176.094 -0.350 0.000 1.104 321 V CA -1.056 61.065 62.300 -0.298 0.000 1.006 321 V CB 1.845 33.375 31.823 -0.488 0.000 1.058 321 V HN 0.533 nan 8.190 nan 0.000 0.440 322 V N 2.716 122.485 119.914 -0.241 0.000 2.357 322 V HA 0.474 1.863 4.120 -4.552 0.000 0.284 322 V C -0.872 175.208 176.094 -0.022 0.000 1.018 322 V CA -0.138 62.124 62.300 -0.064 0.000 0.841 322 V CB 1.000 32.914 31.823 0.152 0.000 0.991 322 V HN 0.713 nan 8.190 nan 0.000 0.437 323 F N 4.279 124.267 119.950 0.065 0.000 2.368 323 F HA 0.295 2.108 4.527 -4.524 0.000 0.362 323 F C 0.147 175.985 175.800 0.063 0.000 1.137 323 F CA -1.147 56.850 58.000 -0.005 0.000 1.161 323 F CB 0.503 39.457 39.000 -0.076 0.000 1.265 323 F HN 0.542 nan 8.300 nan 0.000 0.530 324 W N 6.321 127.643 121.300 0.038 0.000 2.316 324 W HA 0.396 2.325 4.660 -4.551 0.000 0.308 324 W C -0.290 176.155 176.519 -0.124 0.000 1.106 324 W CA -0.969 56.361 57.345 -0.026 0.000 1.262 324 W CB 0.783 30.200 29.460 -0.072 0.000 1.233 324 W HN 0.468 nan 8.180 nan 0.000 0.447 325 R N 3.806 124.119 120.500 -0.311 0.000 2.389 325 R HA 0.393 2.002 4.340 -4.552 0.000 0.295 325 R C 0.471 176.616 176.300 -0.258 0.000 1.075 325 R CA -0.148 55.804 56.100 -0.246 0.000 1.005 325 R CB 0.993 31.165 30.300 -0.213 0.000 0.987 325 R HN 0.476 nan 8.270 nan 0.000 0.452 336 R N 2.619 123.321 120.500 0.337 0.000 2.139 336 R HA -0.176 1.433 4.340 -4.552 0.000 0.243 336 R C 1.618 178.080 176.300 0.269 0.000 1.145 336 R CA 1.425 57.681 56.100 0.260 0.000 0.976 336 R CB -0.342 30.108 30.300 0.251 0.000 0.866 336 R HN 0.441 nan 8.270 nan 0.000 0.449 337 F N 1.219 121.251 119.950 0.136 0.000 2.184 337 F HA -0.211 1.588 4.527 -4.547 0.000 0.301 337 F C 1.774 177.625 175.800 0.084 0.000 1.076 337 F CA 1.757 59.821 58.000 0.107 0.000 1.295 337 F CB 0.083 39.119 39.000 0.059 0.000 1.026 337 F HN -0.005 nan 8.300 nan 0.000 0.494 338 R N -0.529 120.177 120.500 0.344 0.000 2.317 338 R HA 0.137 1.746 4.340 -4.552 0.000 0.208 338 R C 2.257 178.669 176.300 0.185 0.000 0.914 338 R CA 0.342 56.598 56.100 0.261 0.000 1.060 338 R CB -0.493 29.950 30.300 0.239 0.000 1.015 338 R HN 0.407 nan 8.270 nan 0.000 0.498 339 G N 1.876 110.765 108.800 0.148 0.000 2.941 339 G HA2 -0.355 0.874 3.960 -4.552 0.000 0.206 339 G HA3 -0.355 0.874 3.960 -4.552 0.000 0.206 339 G C 1.436 176.420 174.900 0.139 0.000 1.403 339 G CA 1.292 46.468 45.100 0.127 0.000 0.805 339 G HN 0.338 nan 8.290 nan 0.000 0.689 340 A N -0.028 122.866 122.820 0.123 0.000 1.901 340 A HA -0.332 1.257 4.320 -4.552 0.000 0.227 340 A C 2.169 179.884 177.584 0.218 0.000 1.551 340 A CA 2.802 54.949 52.037 0.183 0.000 0.769 340 A CB -1.500 17.520 19.000 0.033 0.000 0.845 340 A HN 0.818 nan 8.150 nan 0.000 0.481 341 Y N 0.611 120.919 120.300 0.014 0.000 2.073 341 Y HA -0.366 1.452 4.550 -4.554 0.000 0.270 341 Y C 2.104 178.038 175.900 0.057 0.000 1.226 341 Y CA 2.651 60.755 58.100 0.008 0.000 1.117 341 Y CB -0.271 38.154 38.460 -0.058 0.000 0.939 341 Y HN 0.470 nan 8.280 nan 0.000 0.504 342 D N -0.687 119.822 120.400 0.181 0.000 2.312 342 D HA -0.112 1.797 4.640 -4.552 0.000 0.211 342 D C 1.923 178.219 176.300 -0.006 0.000 0.964 342 D CA 1.302 55.354 54.000 0.086 0.000 0.877 342 D CB -0.111 40.765 40.800 0.128 0.000 0.924 342 D HN 0.545 nan 8.370 nan 0.000 0.515 343 E N -1.026 119.180 120.200 0.009 0.000 2.190 343 E HA 0.007 1.626 4.350 -4.552 0.000 0.191 343 E C 1.228 177.658 176.600 -0.283 0.000 0.978 343 E CA 0.602 56.934 56.400 -0.114 0.000 0.839 343 E CB 0.037 29.675 29.700 -0.105 0.000 0.787 343 E HN 0.151 nan 8.360 nan 0.000 0.473 344 F N -0.901 119.043 119.950 -0.010 0.000 2.622 344 F HA 0.149 1.950 4.527 -4.544 0.000 0.288 344 F C 1.872 177.631 175.800 -0.070 0.000 1.120 344 F CA 0.023 58.035 58.000 0.020 0.000 1.423 344 F CB 0.038 39.030 39.000 -0.012 0.000 1.127 344 F HN 0.030 nan 8.300 nan 0.000 0.588 345 M N 0.647 120.197 119.600 -0.084 0.000 2.106 345 M HA -0.131 1.618 4.480 -4.552 0.000 0.259 345 M C -0.645 175.583 176.300 -0.120 0.000 1.068 345 M CA 1.831 57.000 55.300 -0.219 0.000 1.100 345 M CB -2.275 30.013 32.600 -0.520 0.000 1.351 345 M HN -0.075 nan 8.290 nan 0.000 0.404 346 P HA -0.052 nan 4.420 nan 0.000 0.225 346 P C 1.288 178.529 177.300 -0.098 0.000 1.148 346 P CA 1.000 64.043 63.100 -0.095 0.000 0.779 346 P CB -0.146 31.493 31.700 -0.101 0.000 0.780 347 L N -1.756 119.423 121.223 -0.072 0.000 2.607 347 L HA 0.175 1.784 4.340 -4.552 0.000 0.228 347 L C 0.670 177.515 176.870 -0.043 0.000 1.123 347 L CA -0.314 54.448 54.840 -0.131 0.000 0.890 347 L CB -0.538 41.414 42.059 -0.178 0.000 1.103 347 L HN -0.113 nan 8.230 nan 0.000 0.468 348 D N 0.927 121.342 120.400 0.026 0.000 2.450 348 D HA 0.245 2.154 4.640 -4.552 0.000 0.247 348 D C 1.298 177.599 176.300 0.001 0.000 1.162 348 D CA 1.534 55.564 54.000 0.049 0.000 0.879 348 D CB 0.928 41.709 40.800 -0.031 0.000 1.163 348 D HN 0.286 nan 8.370 nan 0.000 0.472 349 G N 3.965 112.792 108.800 0.045 0.000 2.241 349 G HA2 -0.330 0.899 3.960 -4.552 0.000 0.244 349 G HA3 -0.330 0.899 3.960 -4.552 0.000 0.244 349 G C 1.137 176.018 174.900 -0.032 0.000 0.998 349 G CA 0.499 45.604 45.100 0.009 0.000 0.621 349 G HN 0.571 nan 8.290 nan 0.000 0.519 350 K N -0.466 119.854 120.400 -0.134 0.000 2.426 350 K HA 0.306 1.895 4.320 -4.552 0.000 0.193 350 K C 0.178 176.574 176.600 -0.339 0.000 1.028 350 K CA -0.038 56.088 56.287 -0.269 0.000 1.047 350 K CB 0.159 32.430 32.500 -0.381 0.000 0.821 350 K HN 0.358 nan 8.250 nan 0.000 0.513 351 F N 1.458 121.380 119.950 -0.048 0.000 2.384 351 F HA 0.275 2.075 4.527 -4.545 0.000 0.338 351 F C 0.945 176.729 175.800 -0.026 0.000 1.103 351 F CA -1.198 56.770 58.000 -0.053 0.000 1.157 351 F CB 0.553 39.524 39.000 -0.049 0.000 1.167 351 F HN -0.086 nan 8.300 nan 0.000 0.529 352 A N 1.475 124.393 122.820 0.163 0.000 2.429 352 A HA 0.125 1.714 4.320 -4.552 0.000 0.242 352 A C 1.049 178.708 177.584 0.124 0.000 1.088 352 A CA -0.045 52.056 52.037 0.106 0.000 0.784 352 A CB -0.038 19.007 19.000 0.076 0.000 1.038 352 A HN 0.837 nan 8.150 nan 0.000 0.501 353 D N 0.032 120.498 120.400 0.111 0.000 2.312 353 D HA -0.156 1.753 4.640 -4.552 0.000 0.211 353 D C 0.664 177.083 176.300 0.199 0.000 0.964 353 D CA 1.220 55.310 54.000 0.149 0.000 0.877 353 D CB -0.245 40.632 40.800 0.129 0.000 0.924 353 D HN 0.565 nan 8.370 nan 0.000 0.515 354 N N 0.669 119.436 118.700 0.111 0.000 2.276 354 N HA 0.007 2.016 4.740 -4.552 0.000 0.212 354 N C -0.530 174.925 175.510 -0.092 0.000 1.127 354 N CA -0.258 52.785 53.050 -0.012 0.000 0.834 354 N CB 0.319 38.814 38.487 0.012 0.000 1.014 354 N HN 0.039 nan 8.380 nan 0.000 0.491 355 V N 1.520 121.429 119.914 -0.007 0.000 2.427 355 V HA 0.455 1.844 4.120 -4.552 0.000 0.286 355 V C 0.039 176.107 176.094 -0.044 0.000 1.034 355 V CA -0.706 61.589 62.300 -0.009 0.000 0.893 355 V CB 1.457 33.316 31.823 0.060 0.000 0.982 355 V HN 0.077 nan 8.190 nan 0.000 0.452 356 I N 5.191 125.742 120.570 -0.032 0.000 2.447 356 I HA 0.351 1.790 4.170 -4.552 0.000 0.287 356 I C -0.745 175.342 176.117 -0.050 0.000 1.023 356 I CA -0.730 60.564 61.300 -0.010 0.000 1.083 356 I CB 1.865 39.922 38.000 0.096 0.000 1.245 356 I HN 0.364 nan 8.210 nan 0.000 0.434 357 L N 6.303 127.411 121.223 -0.192 0.000 2.361 357 L HA 0.252 1.861 4.340 -4.552 0.000 0.278 357 L C 0.086 176.839 176.870 -0.195 0.000 1.113 357 L CA 0.429 55.103 54.840 -0.275 0.000 0.849 357 L CB 0.731 42.510 42.059 -0.467 0.000 1.155 357 L HN 0.640 nan 8.230 nan 0.000 0.452 358 Q N 5.447 125.145 119.800 -0.170 0.000 2.368 358 Q HA 0.532 2.141 4.340 -4.552 0.000 0.256 358 Q C -1.382 174.496 176.000 -0.202 0.000 0.980 358 Q CA -0.297 55.411 55.803 -0.158 0.000 0.887 358 Q CB 0.730 29.385 28.738 -0.138 0.000 1.221 358 Q HN 0.699 nan 8.270 nan 0.000 0.458 359 I N 4.159 124.615 120.570 -0.189 0.000 2.406 359 I HA 0.334 1.774 4.170 -4.552 0.000 0.290 359 I C -0.184 175.876 176.117 -0.095 0.000 0.999 359 I CA -0.898 60.230 61.300 -0.286 0.000 1.124 359 I CB 1.793 39.401 38.000 -0.652 0.000 1.289 359 I HN 0.490 nan 8.210 nan 0.000 0.441 360 K N 4.687 125.016 120.400 -0.119 0.000 2.397 360 K HA 0.016 1.605 4.320 -4.552 0.000 0.265 360 K C 1.183 177.859 176.600 0.126 0.000 0.982 360 K CA -0.169 56.105 56.287 -0.022 0.000 0.931 360 K CB 0.467 32.793 32.500 -0.291 0.000 0.943 360 K HN 0.676 nan 8.250 nan 0.000 0.501 361 N N 0.707 119.554 118.700 0.245 0.000 2.149 361 N HA -0.126 1.883 4.740 -4.552 0.000 0.188 361 N C 0.666 176.367 175.510 0.317 0.000 1.019 361 N CA 1.116 54.370 53.050 0.340 0.000 0.857 361 N CB -0.110 38.657 38.487 0.466 0.000 0.997 361 N HN 0.533 nan 8.380 nan 0.000 0.426 362 G N 0.143 109.033 108.800 0.150 0.000 2.600 362 G HA2 0.451 1.680 3.960 -4.552 0.000 0.303 362 G HA3 0.451 1.680 3.960 -4.552 0.000 0.303 362 G C -2.254 172.554 174.900 -0.153 0.000 1.253 362 G CA -1.195 43.904 45.100 -0.003 0.000 0.974 362 G HN -0.063 nan 8.290 nan 0.000 0.483 363 P HA 0.106 nan 4.420 nan 0.000 0.245 363 P C 0.915 178.059 177.300 -0.261 0.000 1.206 363 P CA 0.234 63.096 63.100 -0.397 0.000 0.781 363 P CB 0.582 31.777 31.700 -0.842 0.000 0.994 364 I N 0.378 120.851 120.570 -0.163 0.000 4.518 364 I HA 0.206 1.645 4.170 -4.552 0.000 0.231 364 I C 0.390 176.459 176.117 -0.079 0.000 1.003 364 I CA 1.062 62.349 61.300 -0.021 0.000 1.610 364 I CB -0.979 37.104 38.000 0.138 0.000 1.481 364 I HN -0.065 nan 8.210 nan 0.000 0.462 365 D N -0.641 119.692 120.400 -0.110 0.000 3.171 365 D HA 0.152 2.061 4.640 -4.552 0.000 0.240 365 D C -0.804 175.449 176.300 -0.078 0.000 1.432 365 D CA -0.400 53.486 54.000 -0.190 0.000 0.892 365 D CB -0.334 40.429 40.800 -0.062 0.000 1.499 365 D HN 0.141 nan 8.370 nan 0.000 0.597 366 F N -0.324 119.672 119.950 0.078 0.000 3.084 366 F HA -0.275 1.546 4.527 -4.510 0.000 0.286 366 F C 1.004 176.811 175.800 0.011 0.000 0.855 366 F CA 0.511 58.601 58.000 0.150 0.000 1.091 366 F CB -1.879 37.315 39.000 0.322 0.000 1.177 366 F HN 0.364 nan 8.300 nan 0.000 0.542 367 Q N 0.426 120.233 119.800 0.012 0.000 2.454 367 Q HA 0.115 1.724 4.340 -4.552 0.000 0.247 367 Q C -0.964 175.049 176.000 0.022 0.000 1.028 367 Q CA -1.131 54.595 55.803 -0.128 0.000 0.910 367 Q CB 0.167 28.876 28.738 -0.048 0.000 1.276 367 Q HN 0.006 nan 8.270 nan 0.000 0.489 368 P HA -0.118 nan 4.420 nan 0.000 0.217 368 P C -0.020 177.349 177.300 0.115 0.000 1.148 368 P CA 1.439 64.447 63.100 -0.153 0.000 0.828 368 P CB 0.325 31.725 31.700 -0.501 0.000 0.783 369 R N -0.329 120.240 120.500 0.115 0.000 2.564 369 R HA 0.332 1.941 4.340 -4.552 0.000 0.284 369 R C -1.177 175.282 176.300 0.266 0.000 1.031 369 R CA -0.454 55.748 56.100 0.170 0.000 0.904 369 R CB 1.603 31.980 30.300 0.128 0.000 1.199 369 R HN -0.125 nan 8.270 nan 0.000 0.443 370 E N 4.278 124.550 120.200 0.119 0.000 2.317 370 E HA 0.405 2.024 4.350 -4.552 0.000 0.270 370 E C -2.494 173.960 176.600 -0.243 0.000 0.885 370 E CA -2.247 54.050 56.400 -0.173 0.000 0.760 370 E CB 2.673 32.299 29.700 -0.123 0.000 1.227 370 E HN 0.463 nan 8.360 nan 0.000 0.434 371 P HA 0.013 nan 4.420 nan 0.000 0.272 371 P C -0.333 177.020 177.300 0.088 0.000 1.230 371 P CA -0.241 62.748 63.100 -0.185 0.000 0.788 371 P CB 0.225 31.770 31.700 -0.259 0.000 0.949 372 F N -0.659 119.472 119.950 0.301 0.000 2.553 372 F HA 0.232 2.026 4.527 -4.555 0.000 0.356 372 F C 0.366 176.393 175.800 0.378 0.000 1.142 372 F CA -0.635 57.573 58.000 0.346 0.000 1.322 372 F CB -0.583 38.638 39.000 0.368 0.000 1.126 372 F HN 0.110 nan 8.300 nan 0.000 0.599 373 S N 2.560 118.528 115.700 0.447 0.000 2.515 373 S HA 0.305 2.044 4.470 -4.552 0.000 0.285 373 S C 1.204 175.914 174.600 0.184 0.000 1.265 373 S CA -0.161 58.115 58.200 0.126 0.000 1.079 373 S CB 0.951 64.107 63.200 -0.073 0.000 0.877 373 S HN 0.928 nan 8.310 nan 0.000 0.493 374 A N 4.133 126.847 122.820 -0.178 0.000 2.019 374 A HA -0.062 1.527 4.320 -4.552 0.000 0.219 374 A C 1.901 179.584 177.584 0.165 0.000 1.164 374 A CA 1.072 52.941 52.037 -0.280 0.000 0.644 374 A CB -0.552 17.882 19.000 -0.945 0.000 0.805 374 A HN 0.832 nan 8.150 nan 0.000 0.449 375 L N -1.849 119.434 121.223 0.100 0.000 2.081 375 L HA -0.233 1.376 4.340 -4.552 0.000 0.212 375 L C 2.337 179.229 176.870 0.038 0.000 1.080 375 L CA 1.336 56.180 54.840 0.006 0.000 0.754 375 L CB -0.599 41.311 42.059 -0.249 0.000 0.893 375 L HN 0.396 nan 8.230 nan 0.000 0.433 376 F N -0.157 119.918 119.950 0.208 0.000 2.216 376 F HA -0.195 1.598 4.527 -4.557 0.000 0.300 376 F C 2.443 178.435 175.800 0.320 0.000 1.085 376 F CA 1.193 59.320 58.000 0.211 0.000 1.326 376 F CB -0.709 38.398 39.000 0.179 0.000 1.027 376 F HN 0.022 nan 8.300 nan 0.000 0.497 377 A N -0.860 122.294 122.820 0.557 0.000 2.238 377 A HA 0.364 1.953 4.320 -4.552 0.000 0.210 377 A C 2.316 180.181 177.584 0.468 0.000 1.179 377 A CA 0.972 53.323 52.037 0.524 0.000 0.827 377 A CB -0.937 18.382 19.000 0.532 0.000 0.856 377 A HN 0.366 nan 8.150 nan 0.000 0.488 378 G N -1.328 107.666 108.800 0.323 0.000 2.651 378 G HA2 0.236 1.465 3.960 -4.552 0.000 0.207 378 G HA3 0.236 1.465 3.960 -4.552 0.000 0.207 378 G C 0.665 175.515 174.900 -0.083 0.000 1.131 378 G CA -0.191 45.018 45.100 0.182 0.000 0.816 378 G HN 0.268 nan 8.290 nan 0.000 0.534 379 M N 3.056 122.568 119.600 -0.147 0.000 2.264 379 M HA 0.206 1.955 4.480 -4.552 0.000 0.340 379 M C 0.995 176.929 176.300 -0.610 0.000 1.420 379 M CA -0.032 55.113 55.300 -0.257 0.000 1.254 379 M CB 0.651 33.163 32.600 -0.145 0.000 1.575 379 M HN 0.251 nan 8.290 nan 0.000 0.452 380 S N 2.584 117.867 115.700 -0.695 0.000 2.540 380 S HA 0.228 1.967 4.470 -4.552 0.000 0.218 380 S C 1.022 175.385 174.600 -0.397 0.000 0.977 380 S CA -0.354 57.214 58.200 -1.052 0.000 0.918 380 S CB 0.372 63.098 63.200 -0.790 0.000 0.806 380 S HN 0.763 nan 8.310 nan 0.000 0.496 381 R N 0.531 120.903 120.500 -0.213 0.000 2.592 381 R HA 0.298 1.907 4.340 -4.552 0.000 0.439 381 R C -0.956 175.345 176.300 0.002 0.000 0.995 381 R CA -0.042 56.019 56.100 -0.065 0.000 1.141 381 R CB 1.267 31.542 30.300 -0.043 0.000 1.495 381 R HN 0.208 nan 8.270 nan 0.000 0.579 382 T N 0.605 115.153 114.554 -0.010 0.000 2.916 382 T HA 0.280 1.899 4.350 -4.552 0.000 0.298 382 T C -0.640 174.075 174.700 0.024 0.000 1.031 382 T CA -0.892 61.232 62.100 0.040 0.000 0.993 382 T CB 1.759 70.656 68.868 0.048 0.000 1.045 382 T HN 0.027 nan 8.240 nan 0.000 0.454 383 N N 3.097 121.828 118.700 0.051 0.000 2.458 383 N HA 0.266 2.275 4.740 -4.552 0.000 0.258 383 N C -0.464 175.058 175.510 0.020 0.000 1.219 383 N CA 0.412 53.509 53.050 0.079 0.000 0.902 383 N CB 0.417 38.987 38.487 0.138 0.000 1.076 383 N HN 0.565 nan 8.380 nan 0.000 0.455 384 M N 1.852 121.491 119.600 0.064 0.000 2.591 384 M HA 0.532 2.281 4.480 -4.552 0.000 0.306 384 M C -0.260 176.086 176.300 0.075 0.000 1.190 384 M CA -0.702 54.629 55.300 0.051 0.000 0.889 384 M CB 2.237 34.913 32.600 0.127 0.000 1.728 384 M HN 0.411 nan 8.290 nan 0.000 0.458 385 M N 1.151 120.777 119.600 0.042 0.000 2.531 385 M HA 0.676 2.425 4.480 -4.552 0.000 0.286 385 M C -1.381 174.937 176.300 0.031 0.000 1.232 385 M CA -0.987 54.312 55.300 -0.002 0.000 0.877 385 M CB 2.399 34.932 32.600 -0.112 0.000 1.726 385 M HN 0.677 nan 8.290 nan 0.000 0.463 386 M N 2.192 121.752 119.600 -0.066 0.000 2.250 386 M HA 0.378 2.127 4.480 -4.552 0.000 0.344 386 M C -0.842 175.324 176.300 -0.223 0.000 1.150 386 M CA 0.562 55.772 55.300 -0.151 0.000 1.147 386 M CB 0.910 33.200 32.600 -0.517 0.000 1.498 386 M HN 0.801 nan 8.290 nan 0.000 0.461 387 E N 3.372 123.464 120.200 -0.181 0.000 2.185 387 E HA 0.390 2.009 4.350 -4.552 0.000 0.261 387 E C -1.886 174.715 176.600 0.002 0.000 0.879 387 E CA -0.425 55.922 56.400 -0.088 0.000 0.756 387 E CB 0.763 30.498 29.700 0.059 0.000 1.152 387 E HN 0.585 nan 8.360 nan 0.000 0.416 388 F N 1.754 121.662 119.950 -0.069 0.000 2.470 388 F HA 0.347 2.049 4.527 -4.707 0.000 0.329 388 F C 0.362 175.825 175.800 -0.560 0.000 1.072 388 F CA -0.707 57.160 58.000 -0.221 0.000 0.989 388 F CB 1.854 40.503 39.000 -0.584 0.000 1.193 388 F HN 0.407 nan 8.300 nan 0.000 0.481 389 Q N 1.690 121.191 119.800 -0.499 0.000 2.307 389 Q HA 0.449 2.058 4.340 -4.552 0.000 0.262 389 Q C -0.293 175.511 176.000 -0.327 0.000 0.961 389 Q CA -0.322 54.997 55.803 -0.806 0.000 0.882 389 Q CB 1.266 29.156 28.738 -1.413 0.000 1.264 389 Q HN 0.672 nan 8.270 nan 0.000 0.446 390 I N 1.425 121.769 120.570 -0.377 0.000 2.685 390 I HA -0.006 1.433 4.170 -4.552 0.000 0.251 390 I C 1.164 177.171 176.117 -0.183 0.000 1.102 390 I CA 0.480 61.659 61.300 -0.201 0.000 1.442 390 I CB -0.021 37.817 38.000 -0.269 0.000 1.194 390 I HN 0.555 nan 8.210 nan 0.000 0.448 391 T N 2.107 116.503 114.554 -0.264 0.000 2.933 391 T HA -0.071 1.548 4.350 -4.552 0.000 0.306 391 T C 0.404 175.108 174.700 0.007 0.000 1.045 391 T CA 0.226 62.257 62.100 -0.115 0.000 1.143 391 T CB 0.132 68.854 68.868 -0.244 0.000 1.003 391 T HN 0.241 nan 8.240 nan 0.000 0.540 392 Q N 3.507 123.397 119.800 0.149 0.000 3.207 392 Q HA 0.113 1.722 4.340 -4.552 0.000 0.335 392 Q C 1.367 177.424 176.000 0.094 0.000 1.374 392 Q CA -0.217 55.665 55.803 0.132 0.000 1.023 392 Q CB 0.305 29.118 28.738 0.126 0.000 1.576 392 Q HN 0.832 nan 8.270 nan 0.000 0.515 393 E N 0.246 120.505 120.200 0.098 0.000 2.118 393 E HA -0.222 1.397 4.350 -4.552 0.000 0.195 393 E C 0.221 176.646 176.600 -0.293 0.000 0.992 393 E CA 1.450 57.808 56.400 -0.070 0.000 0.804 393 E CB 0.263 29.797 29.700 -0.276 0.000 0.741 393 E HN 0.546 nan 8.360 nan 0.000 0.458 394 Y N -2.285 118.011 120.300 -0.006 0.000 2.500 394 Y HA 0.232 2.046 4.550 -4.560 0.000 0.246 394 Y C 0.191 175.908 175.900 -0.304 0.000 1.146 394 Y CA -0.280 57.622 58.100 -0.331 0.000 1.230 394 Y CB 0.690 38.865 38.460 -0.475 0.000 1.214 394 Y HN -0.001 nan 8.280 nan 0.000 0.526 395 F N -0.507 119.449 119.950 0.011 0.000 2.735 395 F HA 0.505 2.306 4.527 -4.544 0.000 0.308 395 F C 1.235 176.933 175.800 -0.170 0.000 1.112 395 F CA -0.025 57.922 58.000 -0.088 0.000 1.235 395 F CB 1.068 40.020 39.000 -0.080 0.000 1.027 395 F HN 0.001 nan 8.300 nan 0.000 0.528 396 G N -0.370 108.362 108.800 -0.114 0.000 2.145 396 G HA2 -0.230 0.999 3.960 -4.552 0.000 0.176 396 G HA3 -0.230 0.999 3.960 -4.552 0.000 0.176 396 G C 0.349 175.314 174.900 0.109 0.000 1.013 396 G CA -0.380 44.459 45.100 -0.434 0.000 0.689 396 G HN 0.066 nan 8.290 nan 0.000 0.506 397 F N -1.755 118.032 119.950 -0.272 0.000 2.183 397 F HA -0.297 1.498 4.527 -4.553 0.000 0.318 397 F C 2.119 177.857 175.800 -0.102 0.000 1.438 397 F CA 1.506 59.114 58.000 -0.654 0.000 0.912 397 F CB -1.878 36.788 39.000 -0.556 0.000 4.134 397 F HN 1.212 nan 8.300 nan 0.000 0.137 398 A N -0.507 122.512 122.820 0.332 0.000 2.465 398 A HA 0.475 2.064 4.320 -4.552 0.000 0.255 398 A C 1.171 179.028 177.584 0.455 0.000 1.274 398 A CA 1.027 53.293 52.037 0.383 0.000 0.920 398 A CB -0.662 18.547 19.000 0.349 0.000 1.033 398 A HN 0.915 nan 8.150 nan 0.000 0.516 399 T N -3.984 110.867 114.554 0.495 0.000 2.990 399 T HA 0.209 1.828 4.350 -4.552 0.000 0.250 399 T C 0.539 175.526 174.700 0.479 0.000 1.041 399 T CA 0.102 62.490 62.100 0.479 0.000 1.010 399 T CB -0.294 68.838 68.868 0.440 0.000 1.003 399 T HN 0.492 nan 8.240 nan 0.000 0.499 400 H N 0.732 119.964 119.070 0.270 0.000 2.502 400 H HA 0.430 2.254 4.556 -4.552 0.000 0.327 400 H C -0.744 174.500 175.328 -0.139 0.000 1.099 400 H CA -0.760 55.362 56.048 0.124 0.000 1.323 400 H CB 1.979 31.820 29.762 0.132 0.000 1.450 400 H HN 0.148 nan 8.280 nan 0.000 0.502 401 L N 2.926 124.082 121.223 -0.112 0.000 2.278 401 L HA 0.354 1.963 4.340 -4.552 0.000 0.287 401 L C -0.383 176.370 176.870 -0.195 0.000 1.072 401 L CA -0.227 54.389 54.840 -0.373 0.000 0.819 401 L CB 0.146 42.003 42.059 -0.337 0.000 1.176 401 L HN 0.708 nan 8.230 nan 0.000 0.435 402 A N 4.797 127.495 122.820 -0.204 0.000 3.158 402 A HA 0.161 1.750 4.320 -4.552 0.000 0.302 402 A C -1.129 176.298 177.584 -0.262 0.000 1.162 402 A CA -0.484 51.427 52.037 -0.210 0.000 0.824 402 A CB 0.013 18.896 19.000 -0.195 0.000 1.322 402 A HN 0.596 nan 8.150 nan 0.000 0.510 403 Y N 1.833 121.946 120.300 -0.311 0.000 2.729 403 Y HA 0.124 1.946 4.550 -4.548 0.000 0.331 403 Y C 0.923 176.524 175.900 -0.499 0.000 1.208 403 Y CA 0.380 58.281 58.100 -0.332 0.000 1.521 403 Y CB 0.733 39.058 38.460 -0.226 0.000 1.233 403 Y HN 0.634 nan 8.280 nan 0.000 0.539 404 Q N 4.501 123.775 119.800 -0.877 0.000 2.392 404 Q HA 0.086 1.695 4.340 -4.552 0.000 0.203 404 Q C 2.114 177.067 176.000 -1.745 0.000 0.917 404 Q CA 0.681 55.707 55.803 -1.296 0.000 0.939 404 Q CB 0.110 28.076 28.738 -1.285 0.000 1.063 404 Q HN 1.108 nan 8.270 nan 0.000 0.516 405 G N 2.667 110.350 108.800 -1.862 0.000 2.513 405 G HA2 -0.251 0.979 3.960 -4.552 0.000 0.219 405 G HA3 -0.251 0.979 3.960 -4.552 0.000 0.219 405 G C -1.011 173.376 174.900 -0.855 0.000 1.160 405 G CA 0.650 44.952 45.100 -1.330 0.000 0.767 405 G HN 0.359 nan 8.290 nan 0.000 0.571 406 P HA -0.020 nan 4.420 nan 0.000 0.218 406 P C 2.009 179.097 177.300 -0.354 0.000 1.149 406 P CA 0.448 63.308 63.100 -0.399 0.000 0.817 406 P CB -0.068 31.454 31.700 -0.297 0.000 0.785 407 L N -2.007 118.904 121.223 -0.520 0.000 2.056 407 L HA -0.148 1.461 4.340 -4.552 0.000 0.207 407 L C 1.998 178.736 176.870 -0.220 0.000 1.078 407 L CA 1.675 56.312 54.840 -0.339 0.000 0.749 407 L CB -0.517 41.302 42.059 -0.401 0.000 0.901 407 L HN -0.140 nan 8.230 nan 0.000 0.433 408 F N 0.399 120.050 119.950 -0.499 0.000 2.113 408 F HA -0.179 1.822 4.527 -4.209 0.000 0.297 408 F C 2.601 178.240 175.800 -0.268 0.000 1.103 408 F CA 1.393 58.962 58.000 -0.718 0.000 1.248 408 F CB -1.200 37.287 39.000 -0.856 0.000 0.999 408 F HN 0.254 nan 8.300 nan 0.000 0.475 409 E N 0.559 120.732 120.200 -0.045 0.000 2.058 409 E HA -0.283 1.336 4.350 -4.552 0.000 0.194 409 E C 2.225 178.835 176.600 0.018 0.000 0.997 409 E CA 1.556 57.951 56.400 -0.008 0.000 0.801 409 E CB -0.221 29.451 29.700 -0.046 0.000 0.746 409 E HN 0.536 nan 8.360 nan 0.000 0.450 410 E N -0.033 120.165 120.200 -0.003 0.000 2.070 410 E HA -0.216 1.403 4.350 -4.552 0.000 0.197 410 E C 2.147 178.799 176.600 0.086 0.000 1.004 410 E CA 1.668 58.090 56.400 0.035 0.000 0.805 410 E CB -0.126 29.588 29.700 0.023 0.000 0.744 410 E HN 0.123 nan 8.360 nan 0.000 0.451 411 S N 0.329 116.111 115.700 0.138 0.000 2.353 411 S HA -0.142 1.597 4.470 -4.552 0.000 0.222 411 S C 1.947 176.608 174.600 0.102 0.000 1.035 411 S CA 1.315 59.635 58.200 0.199 0.000 1.025 411 S CB -0.264 63.177 63.200 0.403 0.000 0.902 411 S HN 0.278 nan 8.310 nan 0.000 0.440 412 L N 0.722 122.015 121.223 0.117 0.000 2.141 412 L HA -0.026 1.583 4.340 -4.552 0.000 0.209 412 L C 1.971 178.825 176.870 -0.027 0.000 1.094 412 L CA 1.097 55.951 54.840 0.024 0.000 0.763 412 L CB -0.289 41.828 42.059 0.097 0.000 0.908 412 L HN 0.185 nan 8.230 nan 0.000 0.437 413 K N -0.859 119.547 120.400 0.009 0.000 2.404 413 K HA 0.093 1.682 4.320 -4.552 0.000 0.194 413 K C 0.281 176.860 176.600 -0.034 0.000 1.023 413 K CA -0.045 56.238 56.287 -0.007 0.000 1.094 413 K CB 0.155 32.664 32.500 0.015 0.000 0.841 413 K HN 0.121 nan 8.250 nan 0.000 0.523 414 T N 2.274 116.802 114.554 -0.042 0.000 2.817 414 T HA -0.013 1.606 4.350 -4.552 0.000 0.295 414 T C -0.046 174.547 174.700 -0.178 0.000 0.958 414 T CA 0.111 62.181 62.100 -0.049 0.000 1.157 414 T CB 0.647 69.514 68.868 -0.003 0.000 0.898 414 T HN 0.105 nan 8.240 nan 0.000 0.536 415 E N 2.461 122.572 120.200 -0.147 0.000 2.257 415 E HA 0.127 1.746 4.350 -4.552 0.000 0.278 415 E C 1.234 177.649 176.600 -0.307 0.000 1.049 415 E CA -0.093 56.146 56.400 -0.268 0.000 0.876 415 E CB 0.594 30.119 29.700 -0.293 0.000 1.035 415 E HN 0.673 nan 8.360 nan 0.000 0.419 416 T N 1.234 115.553 114.554 -0.391 0.000 3.014 416 T HA 0.016 1.635 4.350 -4.552 0.000 0.250 416 T C 0.367 175.092 174.700 0.041 0.000 1.060 416 T CA 0.456 62.384 62.100 -0.287 0.000 1.040 416 T CB -0.276 68.336 68.868 -0.427 0.000 0.971 416 T HN 0.704 nan 8.240 nan 0.000 0.497 417 H N -0.024 119.002 119.070 -0.074 0.000 2.958 417 H HA -0.216 1.610 4.556 -4.551 0.000 0.274 417 H C 1.735 177.065 175.328 0.002 0.000 1.184 417 H CA 0.525 56.551 56.048 -0.038 0.000 1.143 417 H CB -1.796 27.945 29.762 -0.036 0.000 1.297 417 H HN 0.646 nan 8.280 nan 0.000 0.356 418 A N 1.056 123.919 122.820 0.071 0.000 1.892 418 A HA -0.161 1.428 4.320 -4.552 0.000 0.218 418 A C 1.886 179.531 177.584 0.102 0.000 1.188 418 A CA 1.818 53.934 52.037 0.131 0.000 0.631 418 A CB -0.062 19.003 19.000 0.110 0.000 0.822 418 A HN 0.444 nan 8.150 nan 0.000 0.447 419 R N -1.478 119.015 120.500 -0.012 0.000 2.795 419 R HA 0.420 2.029 4.340 -4.552 0.000 0.320 419 R C 0.477 176.770 176.300 -0.013 0.000 1.223 419 R CA 0.228 56.326 56.100 -0.003 0.000 1.305 419 R CB 0.318 30.581 30.300 -0.062 0.000 1.318 419 R HN 0.763 nan 8.270 nan 0.000 0.636 420 G N 1.299 110.118 108.800 0.033 0.000 2.698 420 G HA2 -0.298 0.931 3.960 -4.552 0.000 0.233 420 G HA3 -0.298 0.931 3.960 -4.552 0.000 0.233 420 G C -0.447 174.440 174.900 -0.020 0.000 1.352 420 G CA -0.683 44.448 45.100 0.053 0.000 0.879 420 G HN 0.429 nan 8.290 nan 0.000 0.567 421 E N 0.573 120.763 120.200 -0.018 0.000 2.415 421 E HA 0.374 1.993 4.350 -4.552 0.000 0.262 421 E C 1.307 177.832 176.600 -0.124 0.000 1.038 421 E CA 1.191 57.525 56.400 -0.111 0.000 0.921 421 E CB 0.345 30.017 29.700 -0.046 0.000 0.950 421 E HN 2.182 nan 8.360 nan 0.000 0.438 422 G N 1.945 110.647 108.800 -0.162 0.000 2.175 422 G HA2 -0.278 0.951 3.960 -4.552 0.000 0.244 422 G HA3 -0.278 0.951 3.960 -4.552 0.000 0.244 422 G C 0.448 175.243 174.900 -0.175 0.000 0.982 422 G CA 0.166 45.183 45.100 -0.139 0.000 0.641 422 G HN 0.418 nan 8.290 nan 0.000 0.527 423 S N 2.196 117.763 115.700 -0.222 0.000 3.697 423 S HA 0.438 2.177 4.470 -4.552 0.000 0.207 423 S C 0.998 175.432 174.600 -0.275 0.000 1.459 423 S CA 0.463 58.513 58.200 -0.250 0.000 1.122 423 S CB -0.022 63.039 63.200 -0.231 0.000 1.311 423 S HN 1.064 nan 8.310 nan 0.000 0.487 424 T N -0.617 113.790 114.554 -0.246 0.000 2.860 424 T HA 0.290 1.909 4.350 -4.552 0.000 0.299 424 T C 1.600 176.118 174.700 -0.304 0.000 1.045 424 T CA -0.756 61.192 62.100 -0.253 0.000 1.071 424 T CB 0.433 69.196 68.868 -0.175 0.000 0.985 424 T HN 0.088 nan 8.240 nan 0.000 0.537 425 I N 1.817 122.185 120.570 -0.337 0.000 2.208 425 I HA -0.112 1.327 4.170 -4.552 0.000 0.245 425 I C 2.757 178.611 176.117 -0.439 0.000 1.097 425 I CA 2.030 63.086 61.300 -0.407 0.000 1.363 425 I CB -1.946 35.812 38.000 -0.404 0.000 1.051 425 I HN 0.984 nan 8.210 nan 0.000 0.413 426 G N 0.975 109.510 108.800 -0.441 0.000 2.418 426 G HA2 -0.261 0.968 3.960 -4.552 0.000 0.217 426 G HA3 -0.261 0.968 3.960 -4.552 0.000 0.217 426 G C 1.466 175.832 174.900 -0.889 0.000 1.158 426 G CA 0.571 45.160 45.100 -0.852 0.000 0.771 426 G HN 0.332 nan 8.290 nan 0.000 0.545 427 N N 0.606 119.039 118.700 -0.444 0.000 2.223 427 N HA -0.025 1.984 4.740 -4.552 0.000 0.185 427 N C 2.191 177.552 175.510 -0.248 0.000 1.016 427 N CA 0.585 53.484 53.050 -0.252 0.000 0.863 427 N CB -0.214 38.178 38.487 -0.159 0.000 0.983 427 N HN 0.374 nan 8.380 nan 0.000 0.429 428 I N 0.808 121.211 120.570 -0.278 0.000 2.142 428 I HA -0.251 1.188 4.170 -4.552 0.000 0.240 428 I C 1.991 178.032 176.117 -0.126 0.000 1.078 428 I CA 0.903 62.080 61.300 -0.205 0.000 1.343 428 I CB -0.255 37.655 38.000 -0.149 0.000 1.046 428 I HN 0.063 nan 8.210 nan 0.000 0.405 429 L N 0.244 121.335 121.223 -0.220 0.000 2.079 429 L HA -0.245 1.364 4.340 -4.552 0.000 0.210 429 L C 2.519 179.321 176.870 -0.113 0.000 1.081 429 L CA 1.514 56.252 54.840 -0.170 0.000 0.752 429 L CB -0.614 41.282 42.059 -0.272 0.000 0.896 429 L HN 0.325 nan 8.230 nan 0.000 0.433 430 E N 0.025 120.133 120.200 -0.154 0.000 2.338 430 E HA -0.118 1.501 4.350 -4.552 0.000 0.197 430 E C 1.371 177.950 176.600 -0.035 0.000 1.007 430 E CA 0.671 57.034 56.400 -0.062 0.000 0.849 430 E CB 0.101 29.811 29.700 0.017 0.000 0.774 430 E HN 0.505 nan 8.360 nan 0.000 0.506 431 G N 1.002 109.782 108.800 -0.033 0.000 2.141 431 G HA2 -0.276 0.953 3.960 -4.552 0.000 0.231 431 G HA3 -0.276 0.953 3.960 -4.552 0.000 0.231 431 G C 0.723 175.606 174.900 -0.028 0.000 0.984 431 G CA 0.387 45.487 45.100 -0.001 0.000 0.660 431 G HN 0.270 nan 8.290 nan 0.000 0.525 432 K N -0.402 119.958 120.400 -0.068 0.000 2.400 432 K HA 0.370 1.959 4.320 -4.552 0.000 0.194 432 K C 2.062 178.583 176.600 -0.133 0.000 1.033 432 K CA 0.928 57.167 56.287 -0.080 0.000 1.021 432 K CB 0.421 32.877 32.500 -0.074 0.000 0.808 432 K HN 0.360 nan 8.250 nan 0.000 0.505 433 V N 0.155 119.937 119.914 -0.219 0.000 2.599 433 V HA 0.090 1.479 4.120 -4.552 0.000 0.237 433 V C 0.287 176.145 176.094 -0.393 0.000 1.081 433 V CA 0.671 62.718 62.300 -0.422 0.000 1.107 433 V CB 0.044 31.441 31.823 -0.710 0.000 0.808 433 V HN -0.028 nan 8.190 nan 0.000 0.486 434 F N 0.715 120.668 119.950 0.005 0.000 2.443 434 F HA 0.512 2.306 4.527 -4.555 0.000 0.335 434 F C 0.349 176.156 175.800 0.013 0.000 1.104 434 F CA -1.437 56.572 58.000 0.016 0.000 1.013 434 F CB 0.613 39.631 39.000 0.029 0.000 1.136 434 F HN -0.175 nan 8.300 nan 0.000 0.470 435 K N 1.580 122.103 120.400 0.205 0.000 2.412 435 K HA 0.296 1.885 4.320 -4.552 0.000 0.284 435 K C 0.125 176.797 176.600 0.120 0.000 1.046 435 K CA 0.278 56.635 56.287 0.116 0.000 0.999 435 K CB 0.570 33.120 32.500 0.083 0.000 0.941 435 K HN 0.749 nan 8.250 nan 0.000 0.474 436 T N 1.167 115.776 114.554 0.093 0.000 2.838 436 T HA 0.314 1.933 4.350 -4.552 0.000 0.292 436 T C 0.324 175.058 174.700 0.057 0.000 1.113 436 T CA -0.733 61.424 62.100 0.094 0.000 1.008 436 T CB 1.605 70.548 68.868 0.126 0.000 1.259 436 T HN 0.679 nan 8.240 nan 0.000 0.520 437 R N -0.510 120.030 120.500 0.067 0.000 2.191 437 R HA 0.244 1.853 4.340 -4.552 0.000 0.196 437 R C 0.059 176.292 176.300 -0.112 0.000 0.991 437 R CA 0.136 56.224 56.100 -0.020 0.000 1.075 437 R CB 0.397 30.705 30.300 0.014 0.000 1.040 437 R HN 0.612 nan 8.270 nan 0.000 0.526 438 H N -0.097 119.044 119.070 0.119 0.000 2.717 438 H HA 0.270 2.094 4.556 -4.553 0.000 0.366 438 H C -0.820 174.608 175.328 0.167 0.000 1.132 438 H CA -0.353 55.807 56.048 0.187 0.000 1.180 438 H CB 2.262 32.173 29.762 0.248 0.000 1.678 438 H HN 0.176 nan 8.280 nan 0.000 0.537 439 T N -0.049 114.685 114.554 0.300 0.000 2.906 439 T HA 0.791 2.410 4.350 -4.552 0.000 0.295 439 T C 0.173 174.985 174.700 0.187 0.000 1.075 439 T CA -0.670 61.531 62.100 0.169 0.000 1.005 439 T CB 2.750 71.652 68.868 0.057 0.000 1.136 439 T HN 0.852 nan 8.240 nan 0.000 0.498 440 G N 0.646 109.490 108.800 0.072 0.000 2.322 440 G HA2 0.538 1.767 3.960 -4.552 0.000 0.295 440 G HA3 0.538 1.767 3.960 -4.552 0.000 0.295 440 G C -1.584 173.273 174.900 -0.072 0.000 1.369 440 G CA -0.577 44.538 45.100 0.026 0.000 0.821 440 G HN 1.384 nan 8.290 nan 0.000 0.536 441 M N -1.056 118.488 119.600 -0.093 0.000 2.470 441 M HA 0.877 2.626 4.480 -4.552 0.000 0.285 441 M C -0.824 175.484 176.300 0.013 0.000 1.213 441 M CA -1.003 54.242 55.300 -0.092 0.000 0.901 441 M CB 2.272 34.818 32.600 -0.091 0.000 1.718 441 M HN 1.712 nan 8.290 nan 0.000 0.469 442 A N 1.301 124.116 122.820 -0.008 0.000 2.342 442 A HA 0.952 2.541 4.320 -4.552 0.000 0.323 442 A C -0.282 177.174 177.584 -0.213 0.000 1.125 442 A CA -0.459 51.543 52.037 -0.059 0.000 0.785 442 A CB 1.507 20.361 19.000 -0.244 0.000 1.221 442 A HN 1.167 nan 8.150 nan 0.000 0.463 443 G N 0.512 108.919 108.800 -0.655 0.000 2.574 443 G HA2 0.512 1.741 3.960 -4.552 0.000 0.306 443 G HA3 0.512 1.741 3.960 -4.552 0.000 0.306 443 G C -0.838 173.520 174.900 -0.905 0.000 1.334 443 G CA -0.352 43.902 45.100 -1.411 0.000 0.954 443 G HN 0.770 nan 8.290 nan 0.000 0.500 444 V N 4.787 124.229 119.914 -0.786 0.000 2.352 444 V HA 0.084 1.473 4.120 -4.552 0.000 0.253 444 V C 1.431 177.016 176.094 -0.848 0.000 1.083 444 V CA -0.018 61.770 62.300 -0.854 0.000 0.993 444 V CB -0.287 30.905 31.823 -1.051 0.000 1.111 444 V HN 0.779 nan 8.190 nan 0.000 0.490 445 I N 0.978 121.034 120.570 -0.857 0.000 3.081 445 I HA 0.239 1.678 4.170 -4.552 0.000 0.274 445 I C 0.899 176.632 176.117 -0.640 0.000 1.178 445 I CA 0.017 60.827 61.300 -0.817 0.000 1.460 445 I CB -0.223 37.058 38.000 -1.199 0.000 1.137 445 I HN 0.525 nan 8.210 nan 0.000 0.443 446 N N 1.595 119.913 118.700 -0.637 0.000 2.707 446 N HA -0.123 1.886 4.740 -4.552 0.000 0.253 446 N C -2.170 173.215 175.510 -0.208 0.000 0.998 446 N CA 0.956 53.777 53.050 -0.381 0.000 0.751 446 N CB -1.549 36.684 38.487 -0.424 0.000 0.920 446 N HN 0.499 nan 8.380 nan 0.000 0.539 447 P HA 0.454 nan 4.420 nan 0.000 0.275 447 P C 0.672 178.010 177.300 0.063 0.000 1.266 447 P CA 0.008 63.153 63.100 0.075 0.000 0.793 447 P CB 1.092 32.952 31.700 0.266 0.000 1.074 448 G N -1.535 107.317 108.800 0.086 0.000 2.731 448 G HA2 0.395 1.624 3.960 -4.552 0.000 0.309 448 G HA3 0.395 1.624 3.960 -4.552 0.000 0.309 448 G C 0.412 175.263 174.900 -0.082 0.000 1.273 448 G CA 0.045 45.123 45.100 -0.037 0.000 0.798 448 G HN 0.445 nan 8.290 nan 0.000 0.509 449 T N -1.102 113.376 114.554 -0.126 0.000 3.160 449 T HA 0.125 1.744 4.350 -4.552 0.000 0.257 449 T C 0.290 174.902 174.700 -0.146 0.000 1.147 449 T CA 0.475 62.468 62.100 -0.177 0.000 1.064 449 T CB -0.236 68.549 68.868 -0.140 0.000 0.949 449 T HN 0.238 nan 8.240 nan 0.000 0.526 450 D N 1.945 122.304 120.400 -0.069 0.000 2.478 450 D HA 0.091 2.000 4.640 -4.552 0.000 0.234 450 D C 1.271 177.522 176.300 -0.081 0.000 1.154 450 D CA -0.100 53.884 54.000 -0.027 0.000 0.874 450 D CB 0.586 41.418 40.800 0.053 0.000 1.198 450 D HN 0.052 nan 8.370 nan 0.000 0.455 451 R N 2.198 122.676 120.500 -0.038 0.000 2.127 451 R HA -0.158 1.451 4.340 -4.552 0.000 0.238 451 R C 1.026 177.356 176.300 0.051 0.000 1.134 451 R CA 1.514 57.604 56.100 -0.017 0.000 0.975 451 R CB -0.285 30.025 30.300 0.016 0.000 0.865 451 R HN 0.510 nan 8.270 nan 0.000 0.447 452 N N -1.465 117.302 118.700 0.111 0.000 2.268 452 N HA -0.040 1.969 4.740 -4.552 0.000 0.204 452 N C -0.174 175.591 175.510 0.425 0.000 1.124 452 N CA 0.549 53.747 53.050 0.247 0.000 0.838 452 N CB -0.310 38.299 38.487 0.203 0.000 0.994 452 N HN 0.372 nan 8.380 nan 0.000 0.489 453 W N -0.914 120.447 121.300 0.103 0.000 1.002 453 W HA -0.317 1.616 4.660 -4.544 0.000 0.223 453 W C 1.371 178.008 176.519 0.197 0.000 0.933 453 W CA 1.966 59.399 57.345 0.146 0.000 0.361 453 W CB -1.991 27.566 29.460 0.162 0.000 1.930 453 W HN 0.452 nan 8.180 nan 0.000 1.341 454 T N -3.885 110.924 114.554 0.424 0.000 3.043 454 T HA 0.587 2.206 4.350 -4.552 0.000 0.272 454 T C 1.521 176.399 174.700 0.297 0.000 0.990 454 T CA 1.185 63.499 62.100 0.358 0.000 0.897 454 T CB 0.499 69.608 68.868 0.402 0.000 1.111 454 T HN 1.385 nan 8.240 nan 0.000 0.529 455 G N 2.074 111.031 108.800 0.261 0.000 5.356 455 G HA2 -0.319 0.910 3.960 -4.552 0.000 0.309 455 G HA3 -0.319 0.910 3.960 -4.552 0.000 0.309 455 G C -0.047 175.010 174.900 0.262 0.000 1.451 455 G CA 0.170 45.414 45.100 0.240 0.000 0.978 455 G HN 0.838 nan 8.290 nan 0.000 0.771 456 H N 4.195 123.401 119.070 0.225 0.000 2.767 456 H HA 0.374 2.201 4.556 -4.548 0.000 0.316 456 H C -1.092 174.395 175.328 0.266 0.000 1.059 456 H CA -1.014 55.175 56.048 0.235 0.000 1.461 456 H CB 1.521 31.425 29.762 0.235 0.000 1.475 456 H HN 0.115 nan 8.280 nan 0.000 0.531 457 P HA -0.177 nan 4.420 nan 0.000 0.216 457 P C 1.079 178.653 177.300 0.457 0.000 1.150 457 P CA 1.315 64.660 63.100 0.408 0.000 0.843 457 P CB -0.051 31.861 31.700 0.354 0.000 0.787 458 F N -1.563 118.733 119.950 0.577 0.000 2.604 458 F HA -0.067 1.725 4.527 -4.557 0.000 0.298 458 F C 2.116 177.920 175.800 0.007 0.000 1.131 458 F CA 0.576 58.705 58.000 0.215 0.000 1.457 458 F CB -0.997 38.038 39.000 0.057 0.000 1.095 458 F HN -0.264 nan 8.300 nan 0.000 0.574 459 V N -0.335 119.726 119.914 0.244 0.000 2.594 459 V HA -0.297 1.092 4.120 -4.552 0.000 0.253 459 V C 2.105 178.325 176.094 0.209 0.000 1.069 459 V CA 1.621 64.024 62.300 0.172 0.000 1.082 459 V CB -0.694 31.259 31.823 0.216 0.000 0.680 459 V HN 0.373 nan 8.190 nan 0.000 0.469 460 Q N 0.539 120.497 119.800 0.263 0.000 2.135 460 Q HA -0.219 1.390 4.340 -4.552 0.000 0.204 460 Q C 2.467 178.501 176.000 0.057 0.000 0.981 460 Q CA 2.051 58.076 55.803 0.369 0.000 0.856 460 Q CB -0.373 28.680 28.738 0.525 0.000 0.902 460 Q HN 0.817 nan 8.270 nan 0.000 0.425 461 S N -0.279 115.007 115.700 -0.690 0.000 2.402 461 S HA -0.097 1.642 4.470 -4.552 0.000 0.229 461 S C 2.024 176.473 174.600 -0.251 0.000 1.021 461 S CA 1.246 58.639 58.200 -1.344 0.000 0.974 461 S CB -0.148 61.855 63.200 -1.995 0.000 0.800 461 S HN 0.165 nan 8.310 nan 0.000 0.484 462 S N 0.599 116.293 115.700 -0.010 0.000 2.371 462 S HA -0.021 1.718 4.470 -4.552 0.000 0.224 462 S C 1.281 176.057 174.600 0.294 0.000 1.029 462 S CA 0.831 59.089 58.200 0.098 0.000 0.978 462 S CB -0.603 62.587 63.200 -0.017 0.000 0.833 462 S HN 0.781 nan 8.310 nan 0.000 0.466 463 W N 1.889 123.241 121.300 0.087 0.000 2.338 463 W HA -0.178 1.759 4.660 -4.539 0.000 0.304 463 W C 2.018 178.595 176.519 0.097 0.000 1.212 463 W CA 0.955 58.386 57.345 0.145 0.000 1.264 463 W CB -1.223 28.361 29.460 0.208 0.000 1.142 463 W HN 0.393 nan 8.180 nan 0.000 0.512 464 Y N 1.124 121.398 120.300 -0.045 0.000 2.097 464 Y HA -0.187 1.636 4.550 -4.544 0.000 0.282 464 Y C 2.605 178.378 175.900 -0.211 0.000 1.152 464 Y CA 3.443 61.209 58.100 -0.557 0.000 1.136 464 Y CB -0.998 36.968 38.460 -0.825 0.000 0.975 464 Y HN -0.072 nan 8.280 nan 0.000 0.498 465 A N -0.212 122.652 122.820 0.073 0.000 1.933 465 A HA -0.226 1.363 4.320 -4.552 0.000 0.218 465 A C 2.177 179.802 177.584 0.069 0.000 1.175 465 A CA 1.570 53.662 52.037 0.092 0.000 0.628 465 A CB -1.573 17.541 19.000 0.189 0.000 0.814 465 A HN 0.675 nan 8.150 nan 0.000 0.444 466 F N 1.252 121.242 119.950 0.066 0.000 2.126 466 F HA -0.049 4.240 4.527 -0.396 0.000 0.299 466 F C 2.205 177.938 175.800 -0.113 0.000 1.096 466 F CA 1.614 59.553 58.000 -0.102 0.000 1.255 466 F CB -0.686 38.222 39.000 -0.154 0.000 0.997 466 F HN 0.174 nan 8.300 nan 0.000 0.479 467 G N 0.462 109.103 108.800 -0.265 0.000 2.403 467 G HA2 -0.170 1.059 3.960 -4.552 0.000 0.216 467 G HA3 -0.170 1.059 3.960 -4.552 0.000 0.216 467 G C 1.761 176.411 174.900 -0.416 0.000 1.154 467 G CA 0.325 45.197 45.100 -0.381 0.000 0.784 467 G HN 0.185 nan 8.290 nan 0.000 0.538 468 R N 0.045 120.257 120.500 -0.479 0.000 2.081 468 R HA 0.091 1.700 4.340 -4.552 0.000 0.235 468 R C 2.539 178.720 176.300 -0.198 0.000 1.131 468 R CA 0.958 56.831 56.100 -0.379 0.000 0.960 468 R CB -0.686 29.350 30.300 -0.440 0.000 0.856 468 R HN 0.419 nan 8.270 nan 0.000 0.436 469 M N -0.171 119.303 119.600 -0.211 0.000 2.349 469 M HA 0.036 1.785 4.480 -4.552 0.000 0.266 469 M C 2.292 178.494 176.300 -0.163 0.000 1.076 469 M CA 1.210 56.431 55.300 -0.131 0.000 1.126 469 M CB -0.196 32.364 32.600 -0.066 0.000 1.392 469 M HN 0.100 nan 8.290 nan 0.000 0.440 470 A N 0.137 122.743 122.820 -0.357 0.000 1.969 470 A HA -0.189 1.400 4.320 -4.552 0.000 0.218 470 A C 2.012 179.504 177.584 -0.155 0.000 1.169 470 A CA 0.991 52.825 52.037 -0.338 0.000 0.635 470 A CB -0.956 17.692 19.000 -0.587 0.000 0.810 470 A HN 0.784 nan 8.150 nan 0.000 0.445 471 W N 0.322 121.446 121.300 -0.293 0.000 2.407 471 W HA 0.014 1.931 4.660 -4.571 0.000 0.305 471 W C -0.734 175.670 176.519 -0.193 0.000 1.196 471 W CA 1.689 58.892 57.345 -0.236 0.000 1.311 471 W CB 0.136 29.437 29.460 -0.264 0.000 1.135 471 W HN 0.344 nan 8.180 nan 0.000 0.514 472 D N -1.046 119.379 120.400 0.042 0.000 2.386 472 D HA 0.068 1.977 4.640 -4.552 0.000 0.247 472 D C 0.508 176.733 176.300 -0.125 0.000 1.336 472 D CA -0.369 53.574 54.000 -0.095 0.000 0.976 472 D CB 0.173 40.975 40.800 0.004 0.000 1.257 472 D HN 0.203 nan 8.370 nan 0.000 0.570 473 H N 1.566 120.592 119.070 -0.074 0.000 2.561 473 H HA 0.094 1.915 4.556 -4.559 0.000 0.278 473 H C 0.811 176.114 175.328 -0.042 0.000 1.014 473 H CA 0.984 56.995 56.048 -0.062 0.000 1.211 473 H CB 0.089 29.805 29.762 -0.076 0.000 1.365 473 H HN 0.321 nan 8.280 nan 0.000 0.594 474 Q N 0.372 120.043 119.800 -0.216 0.000 2.319 474 Q HA 0.226 1.835 4.340 -4.552 0.000 0.202 474 Q C 0.017 175.988 176.000 -0.048 0.000 0.896 474 Q CA -0.279 55.469 55.803 -0.091 0.000 0.942 474 Q CB 0.577 29.223 28.738 -0.153 0.000 1.083 474 Q HN 0.515 nan 8.270 nan 0.000 0.510 475 I N 2.313 122.854 120.570 -0.048 0.000 2.710 475 I HA -0.087 1.352 4.170 -4.552 0.000 0.286 475 I C 0.818 176.937 176.117 0.004 0.000 1.181 475 I CA 0.025 61.313 61.300 -0.020 0.000 1.430 475 I CB 0.601 38.583 38.000 -0.030 0.000 1.367 475 I HN 0.103 nan 8.210 nan 0.000 0.577 476 S N 4.984 120.694 115.700 0.017 0.000 2.617 476 S HA 0.413 2.152 4.470 -4.552 0.000 0.269 476 S C 1.070 175.699 174.600 0.048 0.000 1.292 476 S CA -0.296 57.919 58.200 0.026 0.000 1.010 476 S CB 1.747 64.965 63.200 0.031 0.000 0.944 476 S HN 0.721 nan 8.310 nan 0.000 0.536 477 A N 1.848 124.688 122.820 0.033 0.000 1.940 477 A HA 0.113 1.702 4.320 -4.552 0.000 0.219 477 A C 2.356 180.063 177.584 0.206 0.000 1.176 477 A CA 1.824 53.910 52.037 0.081 0.000 0.631 477 A CB -1.640 17.331 19.000 -0.049 0.000 0.814 477 A HN 1.339 nan 8.150 nan 0.000 0.446 478 A N -1.182 121.714 122.820 0.126 0.000 1.898 478 A HA -0.066 1.523 4.320 -4.552 0.000 0.216 478 A C 2.313 179.960 177.584 0.106 0.000 1.181 478 A CA 2.240 54.344 52.037 0.111 0.000 0.620 478 A CB -1.200 17.843 19.000 0.071 0.000 0.819 478 A HN 0.418 nan 8.150 nan 0.000 0.442 479 T N 0.216 114.828 114.554 0.096 0.000 2.708 479 T HA -0.003 1.616 4.350 -4.552 0.000 0.266 479 T C 2.230 177.007 174.700 0.127 0.000 1.037 479 T CA 1.573 63.729 62.100 0.094 0.000 1.146 479 T CB -0.425 68.484 68.868 0.067 0.000 0.865 479 T HN 0.581 nan 8.240 nan 0.000 0.435 480 A N 1.324 124.238 122.820 0.157 0.000 1.933 480 A HA 0.172 1.761 4.320 -4.552 0.000 0.218 480 A C 2.608 180.335 177.584 0.239 0.000 1.175 480 A CA 1.789 53.977 52.037 0.250 0.000 0.628 480 A CB -1.006 18.142 19.000 0.246 0.000 0.814 480 A HN 0.502 nan 8.150 nan 0.000 0.444 481 A N -0.336 122.572 122.820 0.148 0.000 1.898 481 A HA -0.204 1.385 4.320 -4.552 0.000 0.216 481 A C 1.969 179.610 177.584 0.094 0.000 1.181 481 A CA 1.770 53.803 52.037 -0.007 0.000 0.620 481 A CB -0.602 18.317 19.000 -0.134 0.000 0.819 481 A HN 0.586 nan 8.150 nan 0.000 0.442 482 D N -0.394 120.063 120.400 0.096 0.000 2.104 482 D HA -0.184 1.725 4.640 -4.552 0.000 0.194 482 D C 1.832 178.187 176.300 0.092 0.000 0.994 482 D CA 1.678 55.735 54.000 0.095 0.000 0.830 482 D CB -0.069 40.789 40.800 0.097 0.000 0.959 482 D HN 0.645 nan 8.370 nan 0.000 0.452 483 E N -0.380 119.876 120.200 0.094 0.000 2.058 483 E HA -0.192 1.427 4.350 -4.552 0.000 0.194 483 E C 1.948 178.468 176.600 -0.134 0.000 0.997 483 E CA 1.044 57.469 56.400 0.041 0.000 0.801 483 E CB -0.369 29.400 29.700 0.116 0.000 0.746 483 E HN 0.428 nan 8.360 nan 0.000 0.450 484 W N 1.511 122.522 121.300 -0.482 0.000 2.363 484 W HA -0.121 1.823 4.660 -4.528 0.000 0.296 484 W C 1.729 178.084 176.519 -0.274 0.000 1.212 484 W CA 1.159 58.073 57.345 -0.719 0.000 1.260 484 W CB -0.149 28.839 29.460 -0.786 0.000 1.131 484 W HN -0.042 nan 8.180 nan 0.000 0.530 485 L N 0.348 121.564 121.223 -0.011 0.000 2.056 485 L HA -0.170 1.439 4.340 -4.552 0.000 0.207 485 L C 2.719 179.598 176.870 0.016 0.000 1.078 485 L CA 1.542 56.413 54.840 0.053 0.000 0.749 485 L CB -0.793 41.431 42.059 0.276 0.000 0.901 485 L HN -0.088 nan 8.230 nan 0.000 0.433 486 R N -0.454 120.050 120.500 0.005 0.000 2.081 486 R HA -0.151 1.458 4.340 -4.552 0.000 0.235 486 R C 2.252 178.495 176.300 -0.095 0.000 1.131 486 R CA 1.492 57.593 56.100 0.000 0.000 0.960 486 R CB -0.304 30.019 30.300 0.039 0.000 0.856 486 R HN 0.337 nan 8.270 nan 0.000 0.436 487 M N -0.813 118.670 119.600 -0.196 0.000 2.288 487 M HA -0.057 1.692 4.480 -4.552 0.000 0.266 487 M C 1.722 177.811 176.300 -0.351 0.000 1.072 487 M CA 1.411 56.581 55.300 -0.216 0.000 1.132 487 M CB 0.205 32.684 32.600 -0.202 0.000 1.386 487 M HN 0.067 nan 8.290 nan 0.000 0.432 488 T N -0.950 113.242 114.554 -0.603 0.000 3.010 488 T HA 0.135 1.754 4.350 -4.552 0.000 0.252 488 T C 0.912 175.114 174.700 -0.830 0.000 1.047 488 T CA 0.842 62.407 62.100 -0.891 0.000 1.140 488 T CB 0.169 68.049 68.868 -1.646 0.000 0.885 488 T HN 0.138 nan 8.240 nan 0.000 0.464 489 F N 0.275 120.028 119.950 -0.329 0.000 2.423 489 F HA 0.531 2.326 4.527 -4.554 0.000 0.269 489 F C 0.801 176.406 175.800 -0.325 0.000 0.880 489 F CA -0.353 57.486 58.000 -0.269 0.000 1.134 489 F CB 0.414 39.316 39.000 -0.162 0.000 1.143 489 F HN -0.040 nan 8.300 nan 0.000 0.802 490 S N -0.739 114.908 115.700 -0.089 0.000 2.558 490 S HA 0.281 2.020 4.470 -4.552 0.000 0.277 490 S C -0.765 173.830 174.600 -0.008 0.000 1.143 490 S CA -0.665 57.435 58.200 -0.168 0.000 0.865 490 S CB 0.764 63.631 63.200 -0.555 0.000 1.102 490 S HN 0.191 nan 8.310 nan 0.000 0.454 491 N N 1.734 120.431 118.700 -0.005 0.000 2.270 491 N HA 0.072 2.081 4.740 -4.552 0.000 0.198 491 N C -0.513 175.010 175.510 0.020 0.000 1.117 491 N CA -0.016 53.051 53.050 0.029 0.000 0.845 491 N CB 0.338 38.842 38.487 0.027 0.000 0.980 491 N HN 0.556 nan 8.380 nan 0.000 0.486 492 Q N 0.972 120.767 119.800 -0.008 0.000 2.286 492 Q HA 0.097 1.706 4.340 -4.552 0.000 0.267 492 Q C -1.550 174.419 176.000 -0.053 0.000 1.028 492 Q CA -1.201 54.575 55.803 -0.045 0.000 0.901 492 Q CB 1.116 29.778 28.738 -0.128 0.000 1.183 492 Q HN 0.110 nan 8.270 nan 0.000 0.392 493 P HA -0.150 nan 4.420 nan 0.000 0.218 493 P C 0.784 178.040 177.300 -0.073 0.000 1.148 493 P CA 1.472 64.551 63.100 -0.034 0.000 0.822 493 P CB 0.286 31.973 31.700 -0.021 0.000 0.784 494 A N -1.821 120.929 122.820 -0.117 0.000 2.067 494 A HA -0.139 1.450 4.320 -4.552 0.000 0.219 494 A C 1.959 179.397 177.584 -0.242 0.000 1.158 494 A CA 0.948 52.905 52.037 -0.133 0.000 0.661 494 A CB -1.580 17.394 19.000 -0.043 0.000 0.801 494 A HN 0.184 nan 8.150 nan 0.000 0.452 495 F N 0.386 119.975 119.950 -0.602 0.000 2.179 495 F HA 0.010 1.805 4.527 -4.553 0.000 0.292 495 F C 1.899 177.577 175.800 -0.203 0.000 1.089 495 F CA 0.958 58.644 58.000 -0.524 0.000 1.295 495 F CB -0.036 38.541 39.000 -0.705 0.000 1.041 495 F HN 0.090 nan 8.300 nan 0.000 0.487 496 I N 0.807 121.299 120.570 -0.130 0.000 2.163 496 I HA -0.257 1.182 4.170 -4.552 0.000 0.243 496 I C 2.357 178.367 176.117 -0.178 0.000 1.085 496 I CA 1.774 62.991 61.300 -0.137 0.000 1.347 496 I CB -1.341 36.676 38.000 0.028 0.000 1.044 496 I HN 0.262 nan 8.210 nan 0.000 0.408 497 E N 1.795 121.922 120.200 -0.122 0.000 2.023 497 E HA -0.166 1.453 4.350 -4.552 0.000 0.196 497 E C -0.664 175.874 176.600 -0.102 0.000 1.003 497 E CA 1.918 58.268 56.400 -0.084 0.000 0.809 497 E CB -1.171 28.498 29.700 -0.051 0.000 0.755 497 E HN 0.265 nan 8.360 nan 0.000 0.449 498 P HA -0.094 nan 4.420 nan 0.000 0.219 498 P C 1.350 178.577 177.300 -0.121 0.000 1.150 498 P CA 1.036 64.077 63.100 -0.098 0.000 0.814 498 P CB 0.079 31.732 31.700 -0.078 0.000 0.787 499 V N 0.719 120.482 119.914 -0.252 0.000 2.591 499 V HA -0.136 1.253 4.120 -4.552 0.000 0.249 499 V C 2.812 178.857 176.094 -0.082 0.000 1.053 499 V CA 1.584 63.763 62.300 -0.202 0.000 1.068 499 V CB -1.129 30.382 31.823 -0.520 0.000 0.689 499 V HN 0.123 nan 8.190 nan 0.000 0.462 500 K N -0.093 120.250 120.400 -0.096 0.000 2.026 500 K HA -0.221 1.368 4.320 -4.552 0.000 0.208 500 K C 2.312 178.905 176.600 -0.011 0.000 1.048 500 K CA 1.459 57.728 56.287 -0.029 0.000 0.929 500 K CB -0.075 32.414 32.500 -0.019 0.000 0.713 500 K HN 0.314 nan 8.250 nan 0.000 0.439 501 Q N 0.310 120.098 119.800 -0.021 0.000 2.119 501 Q HA -0.176 1.433 4.340 -4.552 0.000 0.201 501 Q C 2.008 178.006 176.000 -0.005 0.000 0.972 501 Q CA 1.505 57.306 55.803 -0.005 0.000 0.847 501 Q CB -0.275 28.458 28.738 -0.008 0.000 0.903 501 Q HN 0.488 nan 8.270 nan 0.000 0.433 502 M N -0.384 119.206 119.600 -0.018 0.000 2.080 502 M HA -0.184 1.565 4.480 -4.552 0.000 0.260 502 M C 2.019 178.293 176.300 -0.044 0.000 1.068 502 M CA 1.411 56.693 55.300 -0.031 0.000 1.109 502 M CB -0.019 32.560 32.600 -0.035 0.000 1.342 502 M HN 0.182 nan 8.290 nan 0.000 0.405 503 M N 0.105 119.689 119.600 -0.027 0.000 2.117 503 M HA -0.228 1.521 4.480 -4.552 0.000 0.262 503 M C 1.983 178.358 176.300 0.125 0.000 1.065 503 M CA 1.577 56.880 55.300 0.004 0.000 1.114 503 M CB -0.475 32.068 32.600 -0.096 0.000 1.361 503 M HN 0.334 nan 8.290 nan 0.000 0.408 504 L N -1.087 120.199 121.223 0.104 0.000 2.201 504 L HA -0.117 1.492 4.340 -4.552 0.000 0.212 504 L C 2.341 179.225 176.870 0.023 0.000 1.105 504 L CA 0.414 55.315 54.840 0.100 0.000 0.775 504 L CB -0.479 41.624 42.059 0.073 0.000 0.913 504 L HN 0.168 nan 8.230 nan 0.000 0.440 505 V N -0.743 119.174 119.914 0.006 0.000 3.235 505 V HA -0.135 1.254 4.120 -4.552 0.000 0.259 505 V C 2.514 178.592 176.094 -0.026 0.000 1.133 505 V CA 1.372 63.665 62.300 -0.011 0.000 1.128 505 V CB 0.196 32.016 31.823 -0.005 0.000 0.757 505 V HN 0.622 nan 8.190 nan 0.000 0.469 506 S N 0.505 116.185 115.700 -0.034 0.000 2.382 506 S HA -0.255 1.484 4.470 -4.552 0.000 0.228 506 S C 2.193 176.753 174.600 -0.067 0.000 1.027 506 S CA 1.335 59.506 58.200 -0.049 0.000 0.991 506 S CB -0.639 62.510 63.200 -0.085 0.000 0.823 506 S HN 0.574 nan 8.310 nan 0.000 0.469 507 R N 1.626 122.050 120.500 -0.127 0.000 2.073 507 R HA -0.066 1.543 4.340 -4.552 0.000 0.234 507 R C 2.228 178.515 176.300 -0.021 0.000 1.134 507 R CA 2.206 58.214 56.100 -0.154 0.000 0.952 507 R CB -0.989 29.137 30.300 -0.290 0.000 0.850 507 R HN 0.542 nan 8.270 nan 0.000 0.433 508 E N 0.126 120.293 120.200 -0.054 0.000 2.106 508 E HA -0.048 1.571 4.350 -4.552 0.000 0.192 508 E C 1.754 178.301 176.600 -0.088 0.000 0.984 508 E CA 1.450 57.816 56.400 -0.056 0.000 0.806 508 E CB -0.236 29.438 29.700 -0.044 0.000 0.750 508 E HN 0.417 nan 8.360 nan 0.000 0.458 509 A N 0.040 122.823 122.820 -0.062 0.000 1.908 509 A HA -0.105 1.484 4.320 -4.552 0.000 0.218 509 A C 2.435 179.825 177.584 -0.323 0.000 1.181 509 A CA 1.804 53.813 52.037 -0.047 0.000 0.627 509 A CB -1.266 17.785 19.000 0.086 0.000 0.818 509 A HN 0.403 nan 8.150 nan 0.000 0.445 510 G N -0.916 107.672 108.800 -0.352 0.000 2.443 510 G HA2 -0.019 1.210 3.960 -4.552 0.000 0.219 510 G HA3 -0.019 1.210 3.960 -4.552 0.000 0.219 510 G C 1.443 175.902 174.900 -0.735 0.000 1.131 510 G CA 1.104 45.774 45.100 -0.717 0.000 0.775 510 G HN 0.317 nan 8.290 nan 0.000 0.547 511 V N 1.360 121.042 119.914 -0.386 0.000 2.307 511 V HA -0.161 1.228 4.120 -4.552 0.000 0.245 511 V C 2.643 178.467 176.094 -0.450 0.000 1.045 511 V CA 1.777 63.856 62.300 -0.369 0.000 1.024 511 V CB -0.404 31.310 31.823 -0.182 0.000 0.651 511 V HN 0.291 nan 8.190 nan 0.000 0.449 512 N N 0.337 118.809 118.700 -0.381 0.000 2.120 512 N HA -0.165 1.844 4.740 -4.552 0.000 0.188 512 N C 1.775 177.055 175.510 -0.382 0.000 1.024 512 N CA 1.936 54.780 53.050 -0.342 0.000 0.852 512 N CB -0.450 37.930 38.487 -0.179 0.000 1.003 512 N HN 0.815 nan 8.380 nan 0.000 0.424 513 Y N -0.496 119.650 120.300 -0.257 0.000 2.529 513 Y HA 0.327 2.147 4.550 -4.550 0.000 0.290 513 Y C 1.860 177.710 175.900 -0.084 0.000 1.177 513 Y CA 0.065 58.098 58.100 -0.113 0.000 1.305 513 Y CB -0.154 38.264 38.460 -0.071 0.000 1.047 513 Y HN -0.110 nan 8.280 nan 0.000 0.522 514 R N 0.625 120.860 120.500 -0.442 0.000 2.119 514 R HA 0.256 1.865 4.340 -4.552 0.000 0.202 514 R C -0.131 176.098 176.300 -0.118 0.000 1.114 514 R CA 1.021 56.829 56.100 -0.486 0.000 1.089 514 R CB 0.285 29.877 30.300 -1.181 0.000 1.000 514 R HN 0.321 nan 8.270 nan 0.000 0.487 515 S N 0.418 115.901 115.700 -0.361 0.000 2.891 515 S HA 0.225 1.964 4.470 -4.552 0.000 0.141 515 S C -2.820 171.593 174.600 -0.310 0.000 0.993 515 S CA -1.208 56.849 58.200 -0.238 0.000 1.051 515 S CB 1.411 64.513 63.200 -0.163 0.000 1.657 515 S HN -0.051 nan 8.310 nan 0.000 0.482 516 P HA 0.501 nan 4.420 nan 0.000 0.277 516 P C 0.681 177.854 177.300 -0.211 0.000 1.271 516 P CA -0.350 62.569 63.100 -0.302 0.000 0.795 516 P CB 0.428 31.909 31.700 -0.366 0.000 1.101 517 L N -2.141 118.996 121.223 -0.143 0.000 4.496 517 L HA -0.292 1.317 4.340 -4.552 0.000 0.419 517 L C 1.173 177.965 176.870 -0.131 0.000 1.139 517 L CA 0.665 55.441 54.840 -0.106 0.000 0.975 517 L CB -2.579 39.422 42.059 -0.097 0.000 2.099 517 L HN 0.863 nan 8.230 nan 0.000 0.818 518 G N -1.051 107.656 108.800 -0.155 0.000 2.175 518 G HA2 -0.274 0.955 3.960 -4.552 0.000 0.244 518 G HA3 -0.274 0.955 3.960 -4.552 0.000 0.244 518 G C 0.288 174.786 174.900 -0.670 0.000 0.982 518 G CA 0.231 45.129 45.100 -0.337 0.000 0.641 518 G HN 0.267 nan 8.290 nan 0.000 0.527 519 L N 0.277 121.267 121.223 -0.388 0.000 2.482 519 L HA 0.597 2.206 4.340 -4.552 0.000 0.273 519 L C 0.928 177.565 176.870 -0.389 0.000 1.228 519 L CA 1.016 55.667 54.840 -0.314 0.000 0.827 519 L CB 1.069 43.059 42.059 -0.115 0.000 1.099 519 L HN 0.269 nan 8.230 nan 0.000 0.494 520 T N -0.716 113.662 114.554 -0.294 0.000 2.827 520 T HA 0.193 1.812 4.350 -4.552 0.000 0.328 520 T C -0.459 174.184 174.700 -0.096 0.000 1.598 520 T CA -0.439 61.498 62.100 -0.272 0.000 1.043 520 T CB 0.550 69.074 68.868 -0.574 0.000 1.447 520 T HN 0.792 nan 8.240 nan 0.000 0.491 521 H N 1.895 120.839 119.070 -0.210 0.000 2.819 521 H HA -0.099 1.725 4.556 -4.552 0.000 0.315 521 H C 0.026 175.352 175.328 -0.004 0.000 1.242 521 H CA 1.008 56.947 56.048 -0.182 0.000 1.157 521 H CB -1.150 28.199 29.762 -0.689 0.000 1.451 521 H HN 0.484 nan 8.280 nan 0.000 0.430 522 L N 0.422 121.652 121.223 0.010 0.000 2.700 522 L HA 0.133 1.742 4.340 -4.552 0.000 0.234 522 L C 0.597 177.346 176.870 -0.201 0.000 1.156 522 L CA -0.100 54.714 54.840 -0.043 0.000 0.946 522 L CB -0.048 42.023 42.059 0.019 0.000 1.216 522 L HN 0.098 nan 8.230 nan 0.000 0.493 523 Y N 0.147 120.450 120.300 0.005 0.000 2.326 523 Y HA 0.065 1.886 4.550 -4.548 0.000 0.333 523 Y C 1.375 177.238 175.900 -0.061 0.000 1.240 523 Y CA -0.018 58.103 58.100 0.035 0.000 1.365 523 Y CB 0.598 39.153 38.460 0.158 0.000 1.289 523 Y HN -0.124 nan 8.280 nan 0.000 0.548 524 S N 2.794 118.522 115.700 0.048 0.000 2.593 524 S HA -0.033 1.706 4.470 -4.552 0.000 0.300 524 S C -0.380 174.314 174.600 0.156 0.000 1.267 524 S CA -0.617 57.607 58.200 0.040 0.000 1.065 524 S CB -0.044 63.159 63.200 0.004 0.000 0.807 524 S HN 0.457 nan 8.310 nan 0.000 0.499 525 Q N 3.081 122.942 119.800 0.102 0.000 2.245 525 Q HA 0.403 2.012 4.340 -4.552 0.000 0.256 525 Q C 0.892 176.881 176.000 -0.018 0.000 0.942 525 Q CA -0.224 55.624 55.803 0.075 0.000 0.896 525 Q CB 1.659 30.477 28.738 0.134 0.000 1.272 525 Q HN 0.874 nan 8.270 nan 0.000 0.442 526 G N 1.191 109.918 108.800 -0.121 0.000 3.189 526 G HA2 -0.080 1.149 3.960 -4.552 0.000 0.225 526 G HA3 -0.080 1.149 3.960 -4.552 0.000 0.225 526 G C 0.659 174.991 174.900 -0.947 0.000 1.159 526 G CA 0.045 44.950 45.100 -0.325 0.000 0.763 526 G HN 0.671 nan 8.290 nan 0.000 0.549 527 D N 0.099 119.906 120.400 -0.988 0.000 2.194 527 D HA -0.125 1.784 4.640 -4.552 0.000 0.204 527 D C 0.757 176.968 176.300 -0.148 0.000 0.964 527 D CA 0.725 54.181 54.000 -0.908 0.000 0.846 527 D CB -0.586 39.908 40.800 -0.510 0.000 0.962 527 D HN 0.554 nan 8.370 nan 0.000 0.490 528 H N -2.284 116.828 119.070 0.069 0.000 3.109 528 H HA -0.234 1.591 4.556 -4.553 0.000 0.245 528 H C 0.400 175.899 175.328 0.285 0.000 1.187 528 H CA 0.562 56.715 56.048 0.175 0.000 1.136 528 H CB -2.098 27.610 29.762 -0.090 0.000 1.243 528 H HN 0.237 nan 8.280 nan 0.000 0.328 529 Y N 1.257 121.586 120.300 0.048 0.000 2.231 529 Y HA 0.241 2.058 4.550 -4.555 0.000 0.294 529 Y C 1.658 177.546 175.900 -0.019 0.000 1.120 529 Y CA 1.519 59.360 58.100 -0.432 0.000 1.141 529 Y CB 0.281 38.328 38.460 -0.687 0.000 1.022 529 Y HN 0.259 nan 8.280 nan 0.000 0.523 530 G N -0.299 108.446 108.800 -0.091 0.000 2.735 530 G HA2 0.468 1.697 3.960 -4.552 0.000 0.301 530 G HA3 0.468 1.697 3.960 -4.552 0.000 0.301 530 G C -2.898 171.433 174.900 -0.947 0.000 1.279 530 G CA -1.827 42.960 45.100 -0.521 0.000 1.019 530 G HN -0.088 nan 8.290 nan 0.000 0.497 531 P HA 0.380 nan 4.420 nan 0.000 0.275 531 P C -0.632 176.071 177.300 -0.994 0.000 1.227 531 P CA 0.012 62.115 63.100 -1.662 0.000 0.781 531 P CB 1.730 32.565 31.700 -1.441 0.000 0.906 532 A N 4.647 126.851 122.820 -1.026 0.000 3.474 532 A HA 0.351 1.940 4.320 -4.552 0.000 0.251 532 A C -1.830 174.911 177.584 -1.405 0.000 1.062 532 A CA -0.746 50.419 52.037 -1.453 0.000 0.945 532 A CB 0.452 19.041 19.000 -0.685 0.000 1.296 532 A HN 0.309 nan 8.150 nan 0.000 0.592 533 P HA -0.099 nan 4.420 nan 0.000 0.230 533 P C 0.810 177.530 177.300 -0.966 0.000 1.158 533 P CA 0.749 63.313 63.100 -0.893 0.000 0.769 533 P CB -0.287 30.878 31.700 -0.891 0.000 0.807 534 W N -0.511 120.305 121.300 -0.807 0.000 3.047 534 W HA 0.253 2.184 4.660 -4.548 0.000 0.250 534 W C 0.088 176.533 176.519 -0.123 0.000 1.314 534 W CA -0.269 56.729 57.345 -0.578 0.000 1.540 534 W CB -2.042 27.207 29.460 -0.351 0.000 1.127 534 W HN -0.316 nan 8.180 nan 0.000 0.679 535 T N 3.040 117.548 114.554 -0.078 0.000 2.831 535 T HA 0.030 1.649 4.350 -4.552 0.000 0.291 535 T C -0.301 174.499 174.700 0.168 0.000 0.981 535 T CA 0.713 62.884 62.100 0.118 0.000 1.174 535 T CB 0.318 69.218 68.868 0.053 0.000 0.929 535 T HN 0.095 nan 8.240 nan 0.000 0.532 536 D N 0.973 121.489 120.400 0.193 0.000 2.732 536 D HA 0.239 2.148 4.640 -4.552 0.000 0.292 536 D C -0.922 175.472 176.300 0.156 0.000 1.135 536 D CA -0.451 53.650 54.000 0.169 0.000 1.071 536 D CB 1.481 42.380 40.800 0.163 0.000 1.457 536 D HN 0.439 nan 8.370 nan 0.000 0.547 537 D N 0.399 120.875 120.400 0.126 0.000 2.812 537 D HA -0.175 1.734 4.640 -4.552 0.000 0.237 537 D C -0.357 176.021 176.300 0.130 0.000 1.162 537 D CA 0.694 54.759 54.000 0.108 0.000 0.740 537 D CB -1.093 39.767 40.800 0.099 0.000 1.000 537 D HN 0.249 nan 8.370 nan 0.000 0.416 538 L N -0.276 121.032 121.223 0.143 0.000 2.286 538 L HA 0.362 1.971 4.340 -4.552 0.000 0.265 538 L C -0.979 175.942 176.870 0.085 0.000 1.012 538 L CA -2.090 52.865 54.840 0.191 0.000 0.818 538 L CB 1.039 43.307 42.059 0.347 0.000 1.337 538 L HN -0.214 nan 8.230 nan 0.000 0.438 539 P HA -0.097 nan 4.420 nan 0.000 0.218 539 P C -0.706 176.408 177.300 -0.311 0.000 1.148 539 P CA 1.264 64.302 63.100 -0.103 0.000 0.822 539 P CB 0.143 31.792 31.700 -0.085 0.000 0.784 540 R N -1.336 118.834 120.500 -0.551 0.000 2.562 540 R HA 0.701 2.310 4.340 -4.552 0.000 0.298 540 R C 0.723 176.825 176.300 -0.330 0.000 0.961 540 R CA -0.464 55.272 56.100 -0.607 0.000 0.881 540 R CB 1.244 30.892 30.300 -1.087 0.000 1.159 540 R HN -0.223 nan 8.270 nan 0.000 0.450 541 A N 2.225 124.899 122.820 -0.243 0.000 1.978 541 A HA -0.236 1.353 4.320 -4.552 0.000 0.220 541 A C 1.310 178.655 177.584 -0.398 0.000 1.170 541 A CA 1.928 53.869 52.037 -0.160 0.000 0.636 541 A CB -0.569 18.410 19.000 -0.036 0.000 0.810 541 A HN 0.905 nan 8.150 nan 0.000 0.448 542 D N -2.418 117.574 120.400 -0.681 0.000 2.352 542 D HA -0.091 1.818 4.640 -4.552 0.000 0.232 542 D C 1.013 177.335 176.300 0.036 0.000 1.055 542 D CA 0.050 53.519 54.000 -0.884 0.000 0.891 542 D CB -0.392 39.908 40.800 -0.832 0.000 0.897 542 D HN 0.575 nan 8.370 nan 0.000 0.529 543 W N 1.607 122.881 121.300 -0.043 0.000 2.640 543 W HA 0.155 2.085 4.660 -4.549 0.000 0.268 543 W C 1.091 177.810 176.519 0.332 0.000 1.263 543 W CA 0.176 57.644 57.345 0.206 0.000 1.344 543 W CB -0.959 28.593 29.460 0.153 0.000 1.093 543 W HN -0.033 nan 8.180 nan 0.000 0.603 544 T N -2.199 112.605 114.554 0.416 0.000 2.754 544 T HA 0.554 2.173 4.350 -4.552 0.000 0.286 544 T C 1.266 176.237 174.700 0.452 0.000 0.997 544 T CA 0.157 62.473 62.100 0.361 0.000 0.982 544 T CB 1.879 70.887 68.868 0.233 0.000 1.027 544 T HN -0.048 nan 8.240 nan 0.000 0.529 545 A N 0.547 123.572 122.820 0.340 0.000 1.911 545 A HA 0.185 1.774 4.320 -4.552 0.000 0.212 545 A C 2.528 180.196 177.584 0.139 0.000 1.189 545 A CA 1.125 53.380 52.037 0.364 0.000 0.639 545 A CB -1.245 17.876 19.000 0.203 0.000 0.839 545 A HN 1.386 nan 8.150 nan 0.000 0.449 546 V N -2.031 117.852 119.914 -0.053 0.000 2.453 546 V HA -0.323 1.066 4.120 -4.552 0.000 0.252 546 V C 2.213 178.178 176.094 -0.215 0.000 1.068 546 V CA 2.399 64.462 62.300 -0.396 0.000 1.070 546 V CB -1.427 30.387 31.823 -0.015 0.000 0.664 546 V HN 0.568 nan 8.190 nan 0.000 0.461 547 Y N 0.908 121.120 120.300 -0.146 0.000 2.193 547 Y HA -0.253 1.565 4.550 -4.552 0.000 0.285 547 Y C 2.223 178.007 175.900 -0.193 0.000 1.166 547 Y CA 2.369 60.347 58.100 -0.203 0.000 1.181 547 Y CB -0.405 37.864 38.460 -0.318 0.000 0.976 547 Y HN 0.370 nan 8.280 nan 0.000 0.520 548 Y N -1.232 119.172 120.300 0.174 0.000 2.314 548 Y HA -0.078 1.743 4.550 -4.548 0.000 0.294 548 Y C 2.512 178.507 175.900 0.158 0.000 1.119 548 Y CA 1.571 59.764 58.100 0.154 0.000 1.179 548 Y CB -0.550 37.952 38.460 0.070 0.000 1.025 548 Y HN 0.433 nan 8.280 nan 0.000 0.541 549 H N -1.853 117.407 119.070 0.318 0.000 2.486 549 H HA 0.265 2.089 4.556 -4.552 0.000 0.287 549 H C 0.672 176.126 175.328 0.210 0.000 1.010 549 H CA 0.189 56.388 56.048 0.251 0.000 1.324 549 H CB -0.311 29.678 29.762 0.378 0.000 1.446 549 H HN -0.069 nan 8.280 nan 0.000 0.537 550 R N 0.083 120.685 120.500 0.170 0.000 3.516 550 R HA -0.154 1.455 4.340 -4.552 0.000 0.271 550 R C -0.261 176.258 176.300 0.366 0.000 1.098 550 R CA 0.252 56.439 56.100 0.146 0.000 0.732 550 R CB -2.126 28.132 30.300 -0.070 0.000 1.152 550 R HN 0.613 nan 8.270 nan 0.000 0.455 551 A N 1.241 124.480 122.820 0.698 0.000 2.498 551 A HA 0.443 2.032 4.320 -4.552 0.000 0.239 551 A C 0.851 178.682 177.584 0.412 0.000 1.068 551 A CA 0.678 53.042 52.037 0.545 0.000 0.766 551 A CB 0.496 19.904 19.000 0.681 0.000 1.003 551 A HN 0.546 nan 8.150 nan 0.000 0.497 552 S N 0.713 116.629 115.700 0.359 0.000 2.776 552 S HA 0.526 2.265 4.470 -4.552 0.000 0.292 552 S C 0.526 175.341 174.600 0.358 0.000 1.187 552 S CA -0.230 58.141 58.200 0.284 0.000 0.834 552 S CB 1.102 64.422 63.200 0.201 0.000 1.199 552 S HN 0.570 nan 8.310 nan 0.000 0.514 553 K N 0.636 121.172 120.400 0.227 0.000 2.209 553 K HA -0.009 1.580 4.320 -4.552 0.000 0.204 553 K C 1.815 178.596 176.600 0.302 0.000 1.048 553 K CA 2.471 58.875 56.287 0.195 0.000 0.940 553 K CB -0.942 31.611 32.500 0.088 0.000 0.729 553 K HN 0.802 nan 8.250 nan 0.000 0.451 554 T N -4.247 110.458 114.554 0.252 0.000 3.037 554 T HA 0.387 2.006 4.350 -4.552 0.000 0.252 554 T C 0.898 175.609 174.700 0.018 0.000 1.073 554 T CA 0.150 62.364 62.100 0.191 0.000 1.091 554 T CB 0.565 69.499 68.868 0.109 0.000 0.935 554 T HN 0.202 nan 8.240 nan 0.000 0.488 555 G N 0.244 108.884 108.800 -0.266 0.000 2.348 555 G HA2 0.565 1.794 3.960 -4.552 0.000 0.296 555 G HA3 0.565 1.794 3.960 -4.552 0.000 0.296 555 G C -2.289 172.002 174.900 -1.015 0.000 1.258 555 G CA -0.497 43.972 45.100 -1.052 0.000 0.868 555 G HN 0.492 nan 8.290 nan 0.000 0.488 556 I N -1.001 118.838 120.570 -1.219 0.000 2.947 556 I HA 0.642 2.081 4.170 -4.552 0.000 0.301 556 I C -0.092 175.706 176.117 -0.531 0.000 1.453 556 I CA 0.693 61.583 61.300 -0.683 0.000 0.984 556 I CB 2.147 39.662 38.000 -0.809 0.000 1.333 556 I HN 2.312 nan 8.210 nan 0.000 0.475 557 G N 3.545 112.303 108.800 -0.070 0.000 2.497 557 G HA2 0.062 1.291 3.960 -4.552 0.000 0.686 557 G HA3 0.062 1.291 3.960 -4.552 0.000 0.686 557 G C -2.014 173.022 174.900 0.227 0.000 1.288 557 G CA -0.617 44.499 45.100 0.027 0.000 0.899 557 G HN 0.700 nan 8.290 nan 0.000 0.608 558 F N 1.469 121.407 119.950 -0.021 0.000 2.460 558 F HA 0.627 2.425 4.527 -4.548 0.000 0.341 558 F C 0.114 175.874 175.800 -0.066 0.000 1.130 558 F CA -1.446 56.515 58.000 -0.066 0.000 0.962 558 F CB 1.758 40.687 39.000 -0.118 0.000 1.171 558 F HN 0.515 nan 8.300 nan 0.000 0.436 559 N N 5.132 123.862 118.700 0.051 0.000 2.399 559 N HA 0.161 2.170 4.740 -4.552 0.000 0.259 559 N C 0.158 175.755 175.510 0.144 0.000 1.160 559 N CA 0.281 53.361 53.050 0.050 0.000 0.946 559 N CB 0.327 38.785 38.487 -0.047 0.000 1.156 559 N HN 0.705 nan 8.380 nan 0.000 0.489 560 R N 1.085 121.658 120.500 0.122 0.000 2.543 560 R HA 0.087 1.696 4.340 -4.552 0.000 0.323 560 R C 0.461 176.765 176.300 0.008 0.000 1.002 560 R CA -0.181 55.975 56.100 0.092 0.000 1.106 560 R CB 0.217 30.547 30.300 0.050 0.000 1.280 560 R HN 0.617 nan 8.270 nan 0.000 0.549 561 T N -1.896 112.637 114.554 -0.035 0.000 2.729 561 T HA 0.140 1.759 4.350 -4.552 0.000 0.298 561 T C 1.221 175.915 174.700 -0.010 0.000 1.013 561 T CA -0.498 61.575 62.100 -0.045 0.000 0.957 561 T CB 1.123 69.967 68.868 -0.041 0.000 1.130 561 T HN -0.062 nan 8.240 nan 0.000 0.526 562 K N 0.130 120.528 120.400 -0.004 0.000 2.281 562 K HA -0.093 1.496 4.320 -4.552 0.000 0.203 562 K C 2.222 178.824 176.600 0.004 0.000 1.046 562 K CA 1.732 58.020 56.287 0.003 0.000 0.938 562 K CB -0.544 31.959 32.500 0.005 0.000 0.737 562 K HN 0.861 nan 8.250 nan 0.000 0.458 563 T N -2.981 111.575 114.554 0.003 0.000 3.107 563 T HA 0.157 1.776 4.350 -4.552 0.000 0.249 563 T C 1.009 175.698 174.700 -0.017 0.000 1.096 563 T CA 0.135 62.233 62.100 -0.003 0.000 1.012 563 T CB 0.590 69.460 68.868 0.003 0.000 0.977 563 T HN 0.191 nan 8.240 nan 0.000 0.527 564 G N 1.493 110.285 108.800 -0.013 0.000 3.387 564 G HA2 0.373 1.602 3.960 -4.552 0.000 0.194 564 G HA3 0.373 1.602 3.960 -4.552 0.000 0.194 564 G C 1.145 176.050 174.900 0.009 0.000 1.417 564 G CA 0.202 45.286 45.100 -0.026 0.000 0.777 564 G HN 0.324 nan 8.290 nan 0.000 0.721 565 S N -0.277 115.459 115.700 0.060 0.000 2.522 565 S HA -0.029 1.710 4.470 -4.552 0.000 0.227 565 S C 1.305 175.946 174.600 0.069 0.000 0.986 565 S CA 1.221 59.477 58.200 0.094 0.000 0.929 565 S CB -0.245 63.074 63.200 0.198 0.000 0.769 565 S HN 0.777 nan 8.310 nan 0.000 0.529 566 N N 0.694 119.421 118.700 0.045 0.000 2.725 566 N HA -0.221 1.788 4.740 -4.552 0.000 0.249 566 N C 0.726 176.254 175.510 0.030 0.000 1.103 566 N CA 0.817 53.882 53.050 0.026 0.000 0.707 566 N CB -1.654 36.846 38.487 0.022 0.000 1.043 566 N HN 0.640 nan 8.380 nan 0.000 0.553 567 A N -0.293 122.552 122.820 0.041 0.000 2.024 567 A HA -0.071 1.518 4.320 -4.552 0.000 0.220 567 A C 2.240 179.865 177.584 0.068 0.000 1.164 567 A CA 1.362 53.437 52.037 0.063 0.000 0.643 567 A CB -0.357 18.671 19.000 0.046 0.000 0.806 567 A HN 0.458 nan 8.150 nan 0.000 0.451 568 L N -0.965 120.281 121.223 0.038 0.000 2.187 568 L HA -0.218 1.391 4.340 -4.552 0.000 0.213 568 L C 2.899 179.797 176.870 0.046 0.000 1.100 568 L CA 0.898 55.772 54.840 0.057 0.000 0.765 568 L CB -0.497 41.502 42.059 -0.100 0.000 0.904 568 L HN 0.460 nan 8.230 nan 0.000 0.437 569 A N -0.634 122.181 122.820 -0.009 0.000 2.172 569 A HA -0.186 1.403 4.320 -4.552 0.000 0.216 569 A C 2.080 179.599 177.584 -0.109 0.000 1.154 569 A CA 1.003 53.021 52.037 -0.031 0.000 0.701 569 A CB -0.318 18.676 19.000 -0.009 0.000 0.789 569 A HN 0.520 nan 8.150 nan 0.000 0.465 570 Q N -1.696 117.941 119.800 -0.272 0.000 2.435 570 Q HA 0.019 1.628 4.340 -4.552 0.000 0.207 570 Q C -0.490 175.073 176.000 -0.728 0.000 0.956 570 Q CA 0.332 55.660 55.803 -0.792 0.000 0.917 570 Q CB 0.035 28.032 28.738 -1.236 0.000 0.997 570 Q HN 0.780 nan 8.270 nan 0.000 0.497 571 Y N 0.404 120.544 120.300 -0.266 0.000 2.432 571 Y HA 0.274 2.091 4.550 -4.555 0.000 0.322 571 Y C -1.902 173.949 175.900 -0.082 0.000 1.246 571 Y CA -2.951 55.046 58.100 -0.172 0.000 1.268 571 Y CB 0.258 38.555 38.460 -0.273 0.000 1.276 571 Y HN -0.077 nan 8.280 nan 0.000 0.499 572 P HA -0.059 nan 4.420 nan 0.000 0.268 572 P C 0.740 178.042 177.300 0.003 0.000 1.208 572 P CA 0.050 63.217 63.100 0.111 0.000 0.777 572 P CB 0.732 32.535 31.700 0.172 0.000 0.875 573 E N 3.316 123.505 120.200 -0.018 0.000 2.085 573 E HA -0.183 1.436 4.350 -4.552 0.000 0.194 573 E C -0.940 175.568 176.600 -0.154 0.000 0.994 573 E CA 2.154 58.514 56.400 -0.068 0.000 0.801 573 E CB -1.678 27.996 29.700 -0.044 0.000 0.743 573 E HN 0.338 nan 8.360 nan 0.000 0.453 574 P HA -0.104 nan 4.420 nan 0.000 0.218 574 P C 1.528 178.561 177.300 -0.444 0.000 1.149 574 P CA 0.893 63.751 63.100 -0.404 0.000 0.817 574 P CB 0.001 31.234 31.700 -0.779 0.000 0.785 575 I N -0.450 119.862 120.570 -0.430 0.000 2.233 575 I HA -0.122 1.317 4.170 -4.552 0.000 0.243 575 I C 2.224 177.919 176.117 -0.704 0.000 1.093 575 I CA 1.370 62.233 61.300 -0.729 0.000 1.380 575 I CB -1.782 35.761 38.000 -0.761 0.000 1.067 575 I HN -0.091 nan 8.210 nan 0.000 0.413 576 A N 1.002 123.590 122.820 -0.387 0.000 1.908 576 A HA -0.278 1.311 4.320 -4.552 0.000 0.218 576 A C 2.462 179.942 177.584 -0.173 0.000 1.181 576 A CA 2.176 54.069 52.037 -0.240 0.000 0.627 576 A CB -0.607 18.324 19.000 -0.115 0.000 0.818 576 A HN 0.421 nan 8.150 nan 0.000 0.445 577 K N -0.446 119.853 120.400 -0.168 0.000 2.001 577 K HA -0.053 1.536 4.320 -4.552 0.000 0.208 577 K C 2.205 178.766 176.600 -0.065 0.000 1.048 577 K CA 1.268 57.495 56.287 -0.099 0.000 0.932 577 K CB -0.386 32.051 32.500 -0.105 0.000 0.715 577 K HN 0.328 nan 8.250 nan 0.000 0.437 578 A N 0.525 123.271 122.820 -0.123 0.000 1.902 578 A HA -0.157 1.432 4.320 -4.552 0.000 0.217 578 A C 1.687 179.387 177.584 0.194 0.000 1.181 578 A CA 1.393 53.425 52.037 -0.009 0.000 0.623 578 A CB -0.824 18.133 19.000 -0.072 0.000 0.818 578 A HN 0.570 nan 8.150 nan 0.000 0.443 579 W N -0.597 120.637 121.300 -0.111 0.000 2.658 579 W HA 0.220 2.147 4.660 -4.555 0.000 0.263 579 W C 2.309 178.829 176.519 0.001 0.000 1.274 579 W CA 0.057 57.325 57.345 -0.128 0.000 1.343 579 W CB -1.193 27.953 29.460 -0.523 0.000 1.106 579 W HN 0.383 nan 8.180 nan 0.000 0.615 580 G N -0.784 108.118 108.800 0.169 0.000 2.551 580 G HA2 -0.117 1.112 3.960 -4.552 0.000 0.216 580 G HA3 -0.117 1.112 3.960 -4.552 0.000 0.216 580 G C 0.163 175.219 174.900 0.260 0.000 1.137 580 G CA 0.245 45.450 45.100 0.176 0.000 0.798 580 G HN -0.062 nan 8.290 nan 0.000 0.536 581 D N 0.487 120.986 120.400 0.164 0.000 2.313 581 D HA 0.215 2.124 4.640 -4.552 0.000 0.239 581 D C 1.634 177.959 176.300 0.041 0.000 1.142 581 D CA -0.395 53.661 54.000 0.093 0.000 0.847 581 D CB 1.269 42.105 40.800 0.060 0.000 1.082 581 D HN -0.045 nan 8.370 nan 0.000 0.480 582 L N 3.589 124.774 121.223 -0.064 0.000 2.349 582 L HA -0.201 1.408 4.340 -4.552 0.000 0.220 582 L C 1.718 178.573 176.870 -0.025 0.000 1.130 582 L CA 0.668 55.409 54.840 -0.164 0.000 0.791 582 L CB -0.205 41.754 42.059 -0.166 0.000 0.918 582 L HN 0.382 nan 8.230 nan 0.000 0.444 583 N N -0.683 118.025 118.700 0.014 0.000 2.354 583 N HA -0.113 1.896 4.740 -4.552 0.000 0.179 583 N C 1.692 177.232 175.510 0.050 0.000 1.021 583 N CA 1.227 54.297 53.050 0.033 0.000 0.887 583 N CB 0.267 38.771 38.487 0.030 0.000 0.974 583 N HN 0.270 nan 8.380 nan 0.000 0.437 584 S N -1.759 113.982 115.700 0.069 0.000 2.559 584 S HA 0.208 1.947 4.470 -4.552 0.000 0.226 584 S C 0.410 175.102 174.600 0.152 0.000 1.030 584 S CA -0.527 57.732 58.200 0.099 0.000 0.956 584 S CB -0.042 63.214 63.200 0.093 0.000 0.900 584 S HN 0.006 nan 8.310 nan 0.000 0.510 585 V N 4.622 124.628 119.914 0.155 0.000 2.585 585 V HA 0.311 1.700 4.120 -4.552 0.000 0.296 585 V C -2.580 173.594 176.094 0.133 0.000 1.035 585 V CA -1.875 60.551 62.300 0.210 0.000 1.084 585 V CB 0.573 32.538 31.823 0.236 0.000 0.953 585 V HN 0.184 nan 8.190 nan 0.000 0.483 586 P HA 0.175 nan 4.420 nan 0.000 0.268 586 P C 0.484 177.810 177.300 0.043 0.000 1.204 586 P CA 0.051 63.194 63.100 0.072 0.000 0.768 586 P CB 0.508 32.243 31.700 0.058 0.000 0.842 587 E N 1.733 121.959 120.200 0.043 0.000 2.204 587 E HA -0.206 1.413 4.350 -4.552 0.000 0.195 587 E C 1.037 177.645 176.600 0.012 0.000 0.990 587 E CA 1.276 57.696 56.400 0.032 0.000 0.821 587 E CB -0.120 29.601 29.700 0.035 0.000 0.750 587 E HN 0.630 nan 8.360 nan 0.000 0.477 588 D N 0.179 120.586 120.400 0.011 0.000 2.371 588 D HA -0.132 1.777 4.640 -4.552 0.000 0.221 588 D C 1.356 177.667 176.300 0.019 0.000 0.986 588 D CA 0.640 54.643 54.000 0.004 0.000 0.899 588 D CB -0.083 40.722 40.800 0.009 0.000 0.902 588 D HN 0.236 nan 8.370 nan 0.000 0.530 589 L N -0.289 120.936 121.223 0.003 0.000 2.966 589 L HA 0.348 1.957 4.340 -4.552 0.000 0.262 589 L C 1.943 178.805 176.870 -0.014 0.000 1.165 589 L CA -0.256 54.597 54.840 0.021 0.000 0.978 589 L CB 0.389 42.329 42.059 -0.198 0.000 1.337 589 L HN -0.052 nan 8.230 nan 0.000 0.563 590 I N 0.547 121.122 120.570 0.008 0.000 2.226 590 I HA -0.277 1.162 4.170 -4.552 0.000 0.245 590 I C 1.940 178.079 176.117 0.037 0.000 1.100 590 I CA 1.619 62.966 61.300 0.079 0.000 1.374 590 I CB 0.255 38.278 38.000 0.038 0.000 1.057 590 I HN 0.263 nan 8.210 nan 0.000 0.413 591 L N -0.925 120.240 121.223 -0.098 0.000 2.610 591 L HA -0.106 1.503 4.340 -4.552 0.000 0.232 591 L C 1.799 178.523 176.870 -0.243 0.000 1.149 591 L CA 0.373 55.122 54.840 -0.152 0.000 0.872 591 L CB -0.539 41.402 42.059 -0.197 0.000 0.992 591 L HN 0.394 nan 8.230 nan 0.000 0.447 592 W N -0.451 120.571 121.300 -0.463 0.000 2.402 592 W HA -0.135 1.794 4.660 -4.552 0.000 0.286 592 W C 1.707 177.769 176.519 -0.762 0.000 1.221 592 W CA 0.755 57.641 57.345 -0.765 0.000 1.257 592 W CB 0.017 28.638 29.460 -1.398 0.000 1.120 592 W HN 0.084 nan 8.180 nan 0.000 0.551 593 F N -4.003 115.963 119.950 0.027 0.000 2.789 593 F HA 0.209 2.004 4.527 -4.553 0.000 0.320 593 F C 0.472 176.023 175.800 -0.415 0.000 1.079 593 F CA -0.193 57.678 58.000 -0.215 0.000 1.205 593 F CB -0.431 38.386 39.000 -0.305 0.000 1.046 593 F HN -0.280 nan 8.300 nan 0.000 0.586 594 H N -0.864 118.289 119.070 0.138 0.000 2.589 594 H HA 0.269 2.094 4.556 -4.552 0.000 0.351 594 H C -1.113 174.215 175.328 -0.000 0.000 1.074 594 H CA -0.725 55.356 56.048 0.055 0.000 1.203 594 H CB 1.674 31.425 29.762 -0.019 0.000 1.558 594 H HN -0.012 nan 8.280 nan 0.000 0.522 595 H N 3.527 122.601 119.070 0.006 0.000 2.652 595 H HA 0.392 2.217 4.556 -4.552 0.000 0.298 595 H C -0.901 174.362 175.328 -0.108 0.000 1.076 595 H CA -0.286 55.710 56.048 -0.086 0.000 1.360 595 H CB 0.144 29.833 29.762 -0.122 0.000 1.421 595 H HN 0.373 nan 8.280 nan 0.000 0.464 596 L N 3.599 124.508 121.223 -0.523 0.000 2.342 596 L HA 0.329 1.938 4.340 -4.552 0.000 0.271 596 L C 0.260 176.824 176.870 -0.510 0.000 1.008 596 L CA -1.147 53.444 54.840 -0.415 0.000 0.818 596 L CB 1.957 43.776 42.059 -0.400 0.000 1.296 596 L HN 0.601 nan 8.230 nan 0.000 0.427 597 S N 0.640 116.180 115.700 -0.267 0.000 2.572 597 S HA 0.027 1.766 4.470 -4.552 0.000 0.279 597 S C 0.709 175.250 174.600 -0.098 0.000 1.341 597 S CA -0.043 58.048 58.200 -0.182 0.000 1.043 597 S CB 0.377 63.565 63.200 -0.020 0.000 0.887 597 S HN 0.553 nan 8.310 nan 0.000 0.516 598 W N 1.302 122.609 121.300 0.012 0.000 2.387 598 W HA -0.023 1.906 4.660 -4.552 0.000 0.272 598 W C 1.522 178.099 176.519 0.098 0.000 1.224 598 W CA 0.293 57.677 57.345 0.066 0.000 1.210 598 W CB -0.020 29.470 29.460 0.051 0.000 1.125 598 W HN 0.678 nan 8.180 nan 0.000 0.572 599 D N -1.449 119.116 120.400 0.275 0.000 2.340 599 D HA -0.055 1.854 4.640 -4.552 0.000 0.220 599 D C 0.124 176.511 176.300 0.144 0.000 1.039 599 D CA 0.491 54.602 54.000 0.185 0.000 0.866 599 D CB -0.526 40.350 40.800 0.128 0.000 0.913 599 D HN 0.166 nan 8.370 nan 0.000 0.523 600 H N 1.694 120.799 119.070 0.058 0.000 3.034 600 H HA 0.035 1.860 4.556 -4.552 0.000 0.324 600 H C 0.127 175.475 175.328 0.033 0.000 1.015 600 H CA 0.268 56.327 56.048 0.019 0.000 1.429 600 H CB 0.384 30.131 29.762 -0.024 0.000 1.429 600 H HN -0.229 nan 8.280 nan 0.000 0.585 601 R N 5.603 125.788 120.500 -0.525 0.000 2.254 601 R HA 0.196 1.805 4.340 -4.552 0.000 0.318 601 R C -0.044 175.953 176.300 -0.505 0.000 1.031 601 R CA -0.741 55.138 56.100 -0.367 0.000 0.905 601 R CB 0.933 31.111 30.300 -0.203 0.000 1.050 601 R HN 0.623 nan 8.270 nan 0.000 0.456 602 M N 1.864 121.324 119.600 -0.233 0.000 2.245 602 M HA 0.124 1.873 4.480 -4.552 0.000 0.292 602 M C 1.614 177.862 176.300 -0.086 0.000 1.176 602 M CA -0.100 55.129 55.300 -0.118 0.000 1.035 602 M CB 0.630 33.217 32.600 -0.023 0.000 1.440 602 M HN 0.505 nan 8.290 nan 0.000 0.494 603 Q N 0.359 120.135 119.800 -0.040 0.000 2.181 603 Q HA -0.142 1.467 4.340 -4.552 0.000 0.205 603 Q C 1.805 177.783 176.000 -0.038 0.000 0.980 603 Q CA 1.994 57.779 55.803 -0.030 0.000 0.862 603 Q CB -0.145 28.589 28.738 -0.006 0.000 0.905 603 Q HN 0.881 nan 8.270 nan 0.000 0.429 604 S N -1.296 114.376 115.700 -0.047 0.000 2.474 604 S HA 0.009 1.748 4.470 -4.552 0.000 0.235 604 S C 1.578 176.138 174.600 -0.067 0.000 0.997 604 S CA 0.792 58.953 58.200 -0.065 0.000 0.949 604 S CB 0.133 63.272 63.200 -0.101 0.000 0.766 604 S HN 0.571 nan 8.310 nan 0.000 0.517 605 G N 1.011 109.774 108.800 -0.063 0.000 2.234 605 G HA2 -0.250 0.979 3.960 -4.552 0.000 0.235 605 G HA3 -0.250 0.979 3.960 -4.552 0.000 0.235 605 G C 0.233 175.103 174.900 -0.051 0.000 0.997 605 G CA -0.079 44.987 45.100 -0.057 0.000 0.623 605 G HN 0.592 nan 8.290 nan 0.000 0.514 606 R N 1.285 121.752 120.500 -0.055 0.000 2.641 606 R HA 0.384 1.993 4.340 -4.552 0.000 0.269 606 R C 0.920 177.215 176.300 -0.009 0.000 1.074 606 R CA 0.144 56.226 56.100 -0.030 0.000 1.133 606 R CB 0.271 30.544 30.300 -0.045 0.000 1.029 606 R HN 0.629 nan 8.270 nan 0.000 0.488 607 N N 1.277 120.001 118.700 0.040 0.000 2.354 607 N HA -0.072 1.937 4.740 -4.552 0.000 0.246 607 N C 0.716 176.315 175.510 0.148 0.000 1.285 607 N CA -0.364 52.740 53.050 0.090 0.000 0.925 607 N CB 0.348 38.923 38.487 0.147 0.000 1.174 607 N HN 0.475 nan 8.380 nan 0.000 0.478 608 L N -0.303 121.063 121.223 0.238 0.000 2.083 608 L HA 0.011 1.620 4.340 -4.552 0.000 0.209 608 L C 1.930 179.046 176.870 0.411 0.000 1.083 608 L CA 1.340 56.352 54.840 0.287 0.000 0.752 608 L CB -0.813 41.410 42.059 0.274 0.000 0.899 608 L HN 0.774 nan 8.230 nan 0.000 0.433 609 W N 0.394 121.909 121.300 0.359 0.000 2.355 609 W HA -0.276 1.654 4.660 -4.551 0.000 0.309 609 W C 2.144 178.694 176.519 0.052 0.000 1.206 609 W CA 1.863 59.290 57.345 0.138 0.000 1.284 609 W CB -0.252 29.118 29.460 -0.151 0.000 1.145 609 W HN 0.315 nan 8.180 nan 0.000 0.502 610 Q N 0.148 119.875 119.800 -0.123 0.000 2.084 610 Q HA -0.282 1.327 4.340 -4.552 0.000 0.202 610 Q C 2.045 177.946 176.000 -0.165 0.000 0.978 610 Q CA 2.147 57.819 55.803 -0.219 0.000 0.844 610 Q CB -0.375 28.362 28.738 -0.003 0.000 0.898 610 Q HN 0.231 nan 8.270 nan 0.000 0.426 611 E N 0.967 121.136 120.200 -0.052 0.000 2.106 611 E HA -0.158 1.461 4.350 -4.552 0.000 0.192 611 E C 1.758 178.345 176.600 -0.022 0.000 0.984 611 E CA 0.628 57.024 56.400 -0.006 0.000 0.806 611 E CB -0.190 29.522 29.700 0.021 0.000 0.750 611 E HN 0.345 nan 8.360 nan 0.000 0.458 612 L N -0.386 120.800 121.223 -0.063 0.000 2.017 612 L HA -0.173 1.436 4.340 -4.552 0.000 0.208 612 L C 2.136 178.955 176.870 -0.085 0.000 1.073 612 L CA 1.335 56.144 54.840 -0.051 0.000 0.745 612 L CB -0.274 41.795 42.059 0.017 0.000 0.894 612 L HN 0.091 nan 8.230 nan 0.000 0.432 613 V N -0.327 119.347 119.914 -0.400 0.000 2.332 613 V HA -0.356 1.033 4.120 -4.552 0.000 0.248 613 V C 2.458 178.372 176.094 -0.300 0.000 1.055 613 V CA 2.255 64.292 62.300 -0.438 0.000 1.038 613 V CB -0.989 30.323 31.823 -0.852 0.000 0.651 613 V HN 0.658 nan 8.190 nan 0.000 0.450 614 H N 0.490 119.359 119.070 -0.336 0.000 2.353 614 H HA -0.118 1.707 4.556 -4.552 0.000 0.300 614 H C 2.270 177.595 175.328 -0.004 0.000 1.090 614 H CA 1.699 57.665 56.048 -0.137 0.000 1.327 614 H CB 0.069 29.834 29.762 0.006 0.000 1.383 614 H HN 0.161 nan 8.280 nan 0.000 0.508 615 K N -0.149 120.250 120.400 -0.001 0.000 2.057 615 K HA -0.148 1.441 4.320 -4.552 0.000 0.206 615 K C 2.153 178.682 176.600 -0.118 0.000 1.050 615 K CA 1.301 57.536 56.287 -0.087 0.000 0.935 615 K CB -0.724 31.696 32.500 -0.134 0.000 0.715 615 K HN 0.409 nan 8.250 nan 0.000 0.439 616 Y N 0.034 120.302 120.300 -0.053 0.000 2.145 616 Y HA -0.219 1.600 4.550 -4.551 0.000 0.286 616 Y C 2.344 178.193 175.900 -0.084 0.000 1.145 616 Y CA 1.455 59.527 58.100 -0.046 0.000 1.148 616 Y CB -0.599 37.834 38.460 -0.045 0.000 0.981 616 Y HN 0.061 nan 8.280 nan 0.000 0.507 617 Y N -0.237 120.047 120.300 -0.027 0.000 2.242 617 Y HA -0.277 1.542 4.550 -4.551 0.000 0.291 617 Y C 2.678 178.546 175.900 -0.053 0.000 1.137 617 Y CA 1.752 59.826 58.100 -0.044 0.000 1.181 617 Y CB -0.672 37.745 38.460 -0.070 0.000 0.989 617 Y HN 0.191 nan 8.280 nan 0.000 0.527 618 Q N -0.148 119.642 119.800 -0.016 0.000 2.084 618 Q HA -0.154 1.455 4.340 -4.552 0.000 0.202 618 Q C 2.496 178.498 176.000 0.003 0.000 0.978 618 Q CA 1.614 57.376 55.803 -0.069 0.000 0.844 618 Q CB -0.531 28.112 28.738 -0.158 0.000 0.898 618 Q HN 0.533 nan 8.270 nan 0.000 0.426 619 G N 0.001 108.817 108.800 0.027 0.000 2.440 619 G HA2 -0.236 0.993 3.960 -4.552 0.000 0.218 619 G HA3 -0.236 0.993 3.960 -4.552 0.000 0.218 619 G C 1.416 176.413 174.900 0.161 0.000 1.154 619 G CA 1.021 46.200 45.100 0.133 0.000 0.767 619 G HN 0.304 nan 8.290 nan 0.000 0.552 620 V N 0.746 120.689 119.914 0.049 0.000 2.343 620 V HA -0.130 1.259 4.120 -4.552 0.000 0.247 620 V C 2.820 178.902 176.094 -0.021 0.000 1.051 620 V CA 1.966 64.229 62.300 -0.063 0.000 1.036 620 V CB -0.309 31.440 31.823 -0.122 0.000 0.654 620 V HN 0.295 nan 8.190 nan 0.000 0.451 621 E N -0.084 120.126 120.200 0.018 0.000 2.153 621 E HA -0.237 1.382 4.350 -4.552 0.000 0.194 621 E C 2.264 178.877 176.600 0.021 0.000 0.988 621 E CA 1.190 57.606 56.400 0.027 0.000 0.811 621 E CB -0.253 29.474 29.700 0.045 0.000 0.746 621 E HN 0.692 nan 8.360 nan 0.000 0.466 622 Q N 0.131 119.948 119.800 0.028 0.000 2.079 622 Q HA -0.093 1.516 4.340 -4.552 0.000 0.200 622 Q C 2.353 178.365 176.000 0.020 0.000 0.974 622 Q CA 1.217 57.037 55.803 0.028 0.000 0.840 622 Q CB 0.023 28.784 28.738 0.038 0.000 0.898 622 Q HN 0.104 nan 8.270 nan 0.000 0.430 623 V N 0.876 120.799 119.914 0.014 0.000 2.343 623 V HA -0.270 1.119 4.120 -4.552 0.000 0.247 623 V C 2.121 178.196 176.094 -0.032 0.000 1.051 623 V CA 1.832 64.116 62.300 -0.027 0.000 1.036 623 V CB -0.490 31.271 31.823 -0.104 0.000 0.654 623 V HN 0.294 nan 8.190 nan 0.000 0.451 624 R N 0.292 120.779 120.500 -0.023 0.000 2.096 624 R HA -0.114 1.495 4.340 -4.552 0.000 0.235 624 R C 2.431 178.739 176.300 0.013 0.000 1.127 624 R CA 1.456 57.553 56.100 -0.005 0.000 0.968 624 R CB -0.613 29.688 30.300 0.002 0.000 0.861 624 R HN 0.535 nan 8.270 nan 0.000 0.440 625 A N 1.002 123.831 122.820 0.016 0.000 1.933 625 A HA -0.152 1.437 4.320 -4.552 0.000 0.218 625 A C 2.158 179.759 177.584 0.028 0.000 1.175 625 A CA 1.263 53.314 52.037 0.024 0.000 0.628 625 A CB -0.388 18.625 19.000 0.022 0.000 0.814 625 A HN 0.186 nan 8.150 nan 0.000 0.444 626 M N -0.943 118.665 119.600 0.013 0.000 2.117 626 M HA -0.237 1.512 4.480 -4.552 0.000 0.262 626 M C 2.458 178.788 176.300 0.051 0.000 1.065 626 M CA 1.686 56.991 55.300 0.008 0.000 1.114 626 M CB -0.574 31.999 32.600 -0.046 0.000 1.361 626 M HN 0.520 nan 8.290 nan 0.000 0.408 627 Q N -0.082 119.740 119.800 0.037 0.000 2.061 627 Q HA -0.193 1.416 4.340 -4.552 0.000 0.204 627 Q C 2.134 178.210 176.000 0.126 0.000 0.984 627 Q CA 1.532 57.380 55.803 0.075 0.000 0.846 627 Q CB -0.238 28.523 28.738 0.038 0.000 0.902 627 Q HN 0.520 nan 8.270 nan 0.000 0.421 628 R N -0.234 120.320 120.500 0.090 0.000 2.081 628 R HA -0.090 1.519 4.340 -4.552 0.000 0.235 628 R C 2.408 178.773 176.300 0.108 0.000 1.131 628 R CA 1.638 57.792 56.100 0.090 0.000 0.960 628 R CB -0.452 29.884 30.300 0.060 0.000 0.856 628 R HN 0.241 nan 8.270 nan 0.000 0.436 629 T N 0.481 115.099 114.554 0.108 0.000 2.684 629 T HA -0.218 1.401 4.350 -4.552 0.000 0.267 629 T C 1.257 176.065 174.700 0.179 0.000 1.036 629 T CA 1.208 63.376 62.100 0.112 0.000 1.148 629 T CB -0.273 68.647 68.868 0.086 0.000 0.863 629 T HN 0.483 nan 8.240 nan 0.000 0.436 630 W N 2.045 123.367 121.300 0.037 0.000 2.358 630 W HA -0.151 1.781 4.660 -4.548 0.000 0.303 630 W C 1.507 178.179 176.519 0.255 0.000 1.208 630 W CA 1.151 58.551 57.345 0.091 0.000 1.274 630 W CB -0.217 29.232 29.460 -0.019 0.000 1.138 630 W HN 0.252 nan 8.180 nan 0.000 0.515 631 D N 0.212 120.755 120.400 0.238 0.000 2.182 631 D HA -0.218 1.691 4.640 -4.552 0.000 0.201 631 D C 1.960 178.337 176.300 0.130 0.000 0.986 631 D CA 1.516 55.670 54.000 0.256 0.000 0.847 631 D CB -0.536 40.382 40.800 0.196 0.000 0.942 631 D HN 0.404 nan 8.370 nan 0.000 0.467 632 Q N -0.323 119.524 119.800 0.078 0.000 2.488 632 Q HA -0.037 1.572 4.340 -4.552 0.000 0.211 632 Q C 1.023 177.043 176.000 0.034 0.000 0.967 632 Q CA 0.535 56.363 55.803 0.042 0.000 0.926 632 Q CB 0.270 29.044 28.738 0.060 0.000 0.992 632 Q HN 0.202 nan 8.270 nan 0.000 0.506 633 Q N -0.292 119.494 119.800 -0.023 0.000 2.247 633 Q HA 0.018 1.627 4.340 -4.552 0.000 0.204 633 Q C 0.843 176.700 176.000 -0.239 0.000 0.872 633 Q CA 0.170 55.994 55.803 0.035 0.000 0.951 633 Q CB 0.478 29.188 28.738 -0.047 0.000 1.099 633 Q HN 0.453 nan 8.270 nan 0.000 0.501 634 E N 1.221 121.093 120.200 -0.547 0.000 2.171 634 E HA -0.178 1.441 4.350 -4.552 0.000 0.197 634 E C 1.457 177.663 176.600 -0.658 0.000 0.997 634 E CA 1.139 56.898 56.400 -1.067 0.000 0.810 634 E CB 0.215 29.248 29.700 -1.112 0.000 0.738 634 E HN 0.351 nan 8.360 nan 0.000 0.467 635 A N -0.432 122.047 122.820 -0.568 0.000 2.119 635 A HA -0.113 1.476 4.320 -4.552 0.000 0.217 635 A C 1.145 178.373 177.584 -0.594 0.000 1.153 635 A CA 0.822 52.496 52.037 -0.605 0.000 0.692 635 A CB -0.291 18.257 19.000 -0.753 0.000 0.799 635 A HN 0.359 nan 8.150 nan 0.000 0.458 636 Y N -1.465 118.684 120.300 -0.252 0.000 2.458 636 Y HA 0.322 2.141 4.550 -4.551 0.000 0.254 636 Y C 0.371 176.054 175.900 -0.360 0.000 1.120 636 Y CA -0.375 57.542 58.100 -0.305 0.000 1.282 636 Y CB 0.276 38.510 38.460 -0.376 0.000 1.109 636 Y HN -0.004 nan 8.280 nan 0.000 0.526 637 V N 1.809 121.628 119.914 -0.158 0.000 2.715 637 V HA 0.167 1.556 4.120 -4.552 0.000 0.310 637 V C -0.209 175.899 176.094 0.023 0.000 1.054 637 V CA -1.634 60.650 62.300 -0.028 0.000 0.928 637 V CB 1.748 33.595 31.823 0.041 0.000 1.007 637 V HN 0.194 nan 8.190 nan 0.000 0.437 638 D N 3.005 123.473 120.400 0.114 0.000 2.378 638 D HA 0.098 2.007 4.640 -4.552 0.000 0.238 638 D C 1.094 177.495 176.300 0.168 0.000 1.180 638 D CA 0.277 54.338 54.000 0.102 0.000 0.895 638 D CB 1.875 42.741 40.800 0.110 0.000 1.192 638 D HN 0.554 nan 8.370 nan 0.000 0.438 639 A N 1.956 124.847 122.820 0.119 0.000 1.972 639 A HA 0.007 1.596 4.320 -4.552 0.000 0.219 639 A C 2.207 179.936 177.584 0.242 0.000 1.169 639 A CA 2.056 54.189 52.037 0.161 0.000 0.635 639 A CB -0.753 18.300 19.000 0.088 0.000 0.810 639 A HN 0.737 nan 8.150 nan 0.000 0.446 640 A N -0.215 122.722 122.820 0.194 0.000 1.855 640 A HA -0.053 1.536 4.320 -4.552 0.000 0.213 640 A C 2.228 179.952 177.584 0.233 0.000 1.195 640 A CA 1.222 53.367 52.037 0.180 0.000 0.610 640 A CB -0.404 18.672 19.000 0.128 0.000 0.837 640 A HN 0.496 nan 8.150 nan 0.000 0.444 641 R N -1.839 118.834 120.500 0.288 0.000 2.115 641 R HA -0.063 1.546 4.340 -4.552 0.000 0.230 641 R C 1.942 178.537 176.300 0.491 0.000 1.111 641 R CA 1.335 57.661 56.100 0.375 0.000 0.976 641 R CB -0.462 30.126 30.300 0.480 0.000 0.870 641 R HN 0.585 nan 8.270 nan 0.000 0.445 642 F N 1.592 121.780 119.950 0.398 0.000 2.095 642 F HA -0.220 1.576 4.527 -4.551 0.000 0.298 642 F C 2.285 178.356 175.800 0.452 0.000 1.104 642 F CA 1.634 59.910 58.000 0.461 0.000 1.232 642 F CB -0.362 38.733 39.000 0.159 0.000 0.987 642 F HN -0.028 nan 8.300 nan 0.000 0.475 643 A N -0.220 122.749 122.820 0.248 0.000 1.930 643 A HA -0.229 1.360 4.320 -4.552 0.000 0.217 643 A C 2.254 179.864 177.584 0.043 0.000 1.175 643 A CA 1.632 53.737 52.037 0.113 0.000 0.627 643 A CB -1.022 18.087 19.000 0.182 0.000 0.815 643 A HN 0.637 nan 8.150 nan 0.000 0.443 644 Q N -0.197 119.655 119.800 0.086 0.000 2.050 644 Q HA -0.129 1.480 4.340 -4.552 0.000 0.202 644 Q C 1.941 177.904 176.000 -0.063 0.000 0.980 644 Q CA 2.086 57.909 55.803 0.033 0.000 0.840 644 Q CB -0.195 28.584 28.738 0.068 0.000 0.898 644 Q HN 0.384 nan 8.270 nan 0.000 0.424 645 V N 1.409 121.273 119.914 -0.084 0.000 2.427 645 V HA -0.246 1.143 4.120 -4.552 0.000 0.248 645 V C 2.423 178.288 176.094 -0.382 0.000 1.051 645 V CA 2.074 64.167 62.300 -0.345 0.000 1.048 645 V CB -0.646 30.775 31.823 -0.671 0.000 0.666 645 V HN 0.401 nan 8.190 nan 0.000 0.456 646 K N 0.515 120.782 120.400 -0.221 0.000 2.032 646 K HA -0.224 1.365 4.320 -4.552 0.000 0.209 646 K C 2.173 178.723 176.600 -0.083 0.000 1.048 646 K CA 1.805 58.019 56.287 -0.121 0.000 0.927 646 K CB -0.357 32.032 32.500 -0.185 0.000 0.712 646 K HN 0.420 nan 8.250 nan 0.000 0.441 647 A N 1.233 124.014 122.820 -0.064 0.000 1.873 647 A HA -0.104 1.485 4.320 -4.552 0.000 0.215 647 A C 2.143 179.705 177.584 -0.038 0.000 1.186 647 A CA 1.335 53.355 52.037 -0.027 0.000 0.616 647 A CB -0.622 18.377 19.000 -0.002 0.000 0.823 647 A HN 0.336 nan 8.150 nan 0.000 0.442 648 L N -0.680 120.497 121.223 -0.077 0.000 2.083 648 L HA -0.176 1.433 4.340 -4.552 0.000 0.209 648 L C 2.490 179.331 176.870 -0.048 0.000 1.083 648 L CA 0.946 55.752 54.840 -0.058 0.000 0.752 648 L CB -0.529 41.430 42.059 -0.167 0.000 0.899 648 L HN 0.361 nan 8.230 nan 0.000 0.433 649 L N -0.812 120.352 121.223 -0.099 0.000 2.141 649 L HA -0.215 1.394 4.340 -4.552 0.000 0.209 649 L C 2.685 179.505 176.870 -0.082 0.000 1.094 649 L CA 1.105 55.882 54.840 -0.106 0.000 0.763 649 L CB -0.386 41.592 42.059 -0.135 0.000 0.908 649 L HN 0.345 nan 8.230 nan 0.000 0.437 650 Q N -0.778 118.993 119.800 -0.050 0.000 2.084 650 Q HA -0.174 1.435 4.340 -4.552 0.000 0.202 650 Q C 2.346 178.328 176.000 -0.030 0.000 0.978 650 Q CA 1.474 57.260 55.803 -0.028 0.000 0.844 650 Q CB -0.218 28.520 28.738 -0.001 0.000 0.898 650 Q HN 0.341 nan 8.270 nan 0.000 0.426 651 V N 1.091 120.996 119.914 -0.015 0.000 2.343 651 V HA -0.312 1.077 4.120 -4.552 0.000 0.247 651 V C 2.339 178.392 176.094 -0.070 0.000 1.051 651 V CA 2.158 64.466 62.300 0.013 0.000 1.036 651 V CB -0.676 31.192 31.823 0.076 0.000 0.654 651 V HN 0.419 nan 8.190 nan 0.000 0.451 652 Q N -0.216 119.473 119.800 -0.186 0.000 2.084 652 Q HA -0.266 1.343 4.340 -4.552 0.000 0.202 652 Q C 2.420 178.203 176.000 -0.361 0.000 0.978 652 Q CA 1.931 57.453 55.803 -0.468 0.000 0.844 652 Q CB -0.203 28.265 28.738 -0.450 0.000 0.898 652 Q HN 0.655 nan 8.270 nan 0.000 0.426 653 E N 0.703 120.772 120.200 -0.218 0.000 2.110 653 E HA -0.226 1.393 4.350 -4.552 0.000 0.193 653 E C 2.001 178.516 176.600 -0.142 0.000 0.988 653 E CA 1.040 57.328 56.400 -0.186 0.000 0.804 653 E CB -0.083 29.554 29.700 -0.105 0.000 0.745 653 E HN 0.310 nan 8.360 nan 0.000 0.458 654 R N 0.208 120.662 120.500 -0.076 0.000 2.075 654 R HA -0.107 1.502 4.340 -4.552 0.000 0.232 654 R C 2.156 178.458 176.300 0.003 0.000 1.126 654 R CA 1.325 57.419 56.100 -0.009 0.000 0.963 654 R CB 0.056 30.376 30.300 0.034 0.000 0.858 654 R HN 0.046 nan 8.270 nan 0.000 0.435 655 E N 0.139 120.333 120.200 -0.010 0.000 2.152 655 E HA -0.116 1.503 4.350 -4.552 0.000 0.192 655 E C 1.801 178.446 176.600 0.075 0.000 0.983 655 E CA 1.118 57.561 56.400 0.072 0.000 0.818 655 E CB -0.086 29.719 29.700 0.174 0.000 0.758 655 E HN 0.432 nan 8.360 nan 0.000 0.467 656 A N 0.907 123.588 122.820 -0.231 0.000 1.930 656 A HA -0.113 1.476 4.320 -4.552 0.000 0.217 656 A C 2.577 180.032 177.584 -0.215 0.000 1.175 656 A CA 1.154 52.840 52.037 -0.585 0.000 0.627 656 A CB -0.550 17.714 19.000 -1.227 0.000 0.815 656 A HN 0.123 nan 8.150 nan 0.000 0.443 657 V N -0.064 119.763 119.914 -0.146 0.000 2.343 657 V HA -0.254 1.135 4.120 -4.552 0.000 0.247 657 V C 2.634 178.695 176.094 -0.055 0.000 1.051 657 V CA 2.299 64.542 62.300 -0.095 0.000 1.036 657 V CB -0.772 31.026 31.823 -0.042 0.000 0.654 657 V HN 0.672 nan 8.190 nan 0.000 0.451 658 R N -1.383 119.129 120.500 0.019 0.000 2.083 658 R HA -0.229 1.380 4.340 -4.552 0.000 0.237 658 R C 2.152 178.400 176.300 -0.088 0.000 1.137 658 R CA 2.317 58.428 56.100 0.018 0.000 0.951 658 R CB -0.367 29.979 30.300 0.077 0.000 0.851 658 R HN 0.552 nan 8.270 nan 0.000 0.434 659 W N 0.751 121.985 121.300 -0.110 0.000 2.333 659 W HA -0.175 1.756 4.660 -4.548 0.000 0.316 659 W C 2.698 179.137 176.519 -0.135 0.000 1.215 659 W CA 1.939 59.236 57.345 -0.081 0.000 1.278 659 W CB -0.331 29.173 29.460 0.072 0.000 1.154 659 W HN 0.137 nan 8.180 nan 0.000 0.486 660 R N 0.372 120.947 120.500 0.125 0.000 2.080 660 R HA -0.217 1.392 4.340 -4.552 0.000 0.236 660 R C 1.833 177.952 176.300 -0.302 0.000 1.137 660 R CA 2.125 58.172 56.100 -0.088 0.000 0.943 660 R CB -0.725 29.447 30.300 -0.214 0.000 0.846 660 R HN 0.144 nan 8.270 nan 0.000 0.431 661 N N 0.268 118.756 118.700 -0.354 0.000 2.084 661 N HA -0.101 1.908 4.740 -4.552 0.000 0.190 661 N C 1.852 177.048 175.510 -0.524 0.000 1.030 661 N CA 1.780 54.536 53.050 -0.489 0.000 0.849 661 N CB -0.473 37.571 38.487 -0.739 0.000 1.012 661 N HN 0.148 nan 8.380 nan 0.000 0.423 662 S N 0.056 115.437 115.700 -0.532 0.000 2.359 662 S HA -0.110 1.629 4.470 -4.552 0.000 0.224 662 S C 2.266 176.815 174.600 -0.085 0.000 1.035 662 S CA 0.984 59.066 58.200 -0.197 0.000 1.018 662 S CB -0.377 62.750 63.200 -0.122 0.000 0.876 662 S HN 0.452 nan 8.310 nan 0.000 0.448 663 C N 0.636 119.789 119.300 -0.245 0.000 2.486 663 C HA 0.110 1.839 4.460 -4.552 0.000 0.279 663 C C 2.674 177.540 174.990 -0.207 0.000 1.302 663 C CA 0.025 58.857 59.018 -0.309 0.000 1.720 663 C CB -1.176 26.278 27.740 -0.476 0.000 2.030 663 C HN 0.398 nan 8.230 nan 0.000 0.490 664 V N 1.355 121.091 119.914 -0.297 0.000 2.295 664 V HA -0.224 1.165 4.120 -4.552 0.000 0.246 664 V C 2.340 178.509 176.094 0.125 0.000 1.049 664 V CA 1.885 64.150 62.300 -0.058 0.000 1.024 664 V CB -0.672 31.109 31.823 -0.071 0.000 0.648 664 V HN 0.543 nan 8.190 nan 0.000 0.447 665 L N -1.331 119.928 121.223 0.061 0.000 2.083 665 L HA -0.197 1.412 4.340 -4.552 0.000 0.209 665 L C 2.477 179.417 176.870 0.118 0.000 1.083 665 L CA 1.873 56.781 54.840 0.113 0.000 0.752 665 L CB -0.681 41.452 42.059 0.123 0.000 0.899 665 L HN 0.450 nan 8.230 nan 0.000 0.433 666 Y N 0.377 120.685 120.300 0.014 0.000 2.133 666 Y HA -0.257 1.563 4.550 -4.551 0.000 0.287 666 Y C 2.281 178.156 175.900 -0.042 0.000 1.134 666 Y CA 1.400 59.485 58.100 -0.026 0.000 1.133 666 Y CB -0.523 37.874 38.460 -0.105 0.000 0.987 666 Y HN -0.043 nan 8.280 nan 0.000 0.502 667 F N 1.074 120.980 119.950 -0.072 0.000 2.216 667 F HA -0.201 1.594 4.527 -4.553 0.000 0.300 667 F C 2.757 178.449 175.800 -0.180 0.000 1.085 667 F CA 1.794 59.736 58.000 -0.096 0.000 1.326 667 F CB -1.090 38.066 39.000 0.261 0.000 1.027 667 F HN 0.227 nan 8.300 nan 0.000 0.497 668 Q N 0.574 120.441 119.800 0.111 0.000 2.084 668 Q HA -0.218 1.391 4.340 -4.552 0.000 0.202 668 Q C 2.371 178.213 176.000 -0.264 0.000 0.978 668 Q CA 2.305 57.990 55.803 -0.196 0.000 0.844 668 Q CB -0.215 28.563 28.738 0.067 0.000 0.898 668 Q HN 0.445 nan 8.270 nan 0.000 0.426 669 S N -0.953 114.639 115.700 -0.180 0.000 2.419 669 S HA -0.098 1.641 4.470 -4.552 0.000 0.233 669 S C 1.832 176.322 174.600 -0.183 0.000 1.016 669 S CA 1.275 59.380 58.200 -0.158 0.000 0.974 669 S CB -0.301 62.839 63.200 -0.100 0.000 0.786 669 S HN 0.268 nan 8.310 nan 0.000 0.492 670 V N 1.730 121.499 119.914 -0.241 0.000 2.500 670 V HA 0.178 1.567 4.120 -4.552 0.000 0.243 670 V C 3.056 179.082 176.094 -0.114 0.000 1.039 670 V CA 1.290 63.515 62.300 -0.125 0.000 1.053 670 V CB -1.162 30.618 31.823 -0.071 0.000 0.695 670 V HN 0.633 nan 8.190 nan 0.000 0.463 671 A N -0.136 122.495 122.820 -0.315 0.000 1.970 671 A HA 0.286 1.875 4.320 -4.552 0.000 0.216 671 A C 1.986 179.242 177.584 -0.547 0.000 1.170 671 A CA 1.138 52.821 52.037 -0.591 0.000 0.645 671 A CB -0.771 17.302 19.000 -1.545 0.000 0.816 671 A HN 1.292 nan 8.150 nan 0.000 0.447 672 G N -0.455 108.050 108.800 -0.492 0.000 2.295 672 G HA2 -0.259 0.970 3.960 -4.552 0.000 0.287 672 G HA3 -0.259 0.970 3.960 -4.552 0.000 0.287 672 G C 0.079 174.705 174.900 -0.456 0.000 1.055 672 G CA 0.597 45.474 45.100 -0.372 0.000 0.922 672 G HN 0.695 nan 8.290 nan 0.000 0.503 673 R N 0.074 120.129 120.500 -0.742 0.000 2.803 673 R HA 0.610 2.219 4.340 -4.552 0.000 0.276 673 R C -2.413 173.663 176.300 -0.374 0.000 0.978 673 R CA -1.985 53.691 56.100 -0.706 0.000 0.939 673 R CB 2.264 31.762 30.300 -1.337 0.000 1.179 673 R HN 0.151 nan 8.270 nan 0.000 0.472 674 P HA 0.178 nan 4.420 nan 0.000 0.278 674 P C -0.399 177.117 177.300 0.360 0.000 1.238 674 P CA -0.246 62.920 63.100 0.111 0.000 0.794 674 P CB 0.737 32.479 31.700 0.069 0.000 0.955 675 I N 3.666 124.411 120.570 0.290 0.000 2.517 675 I HA 0.096 1.535 4.170 -4.552 0.000 0.285 675 I C -1.727 174.492 176.117 0.171 0.000 1.106 675 I CA -1.778 59.651 61.300 0.215 0.000 1.402 675 I CB -0.289 37.794 38.000 0.138 0.000 1.399 675 I HN 0.173 nan 8.210 nan 0.000 0.535 676 P HA -0.036 nan 4.420 nan 0.000 0.265 676 P C 0.408 177.771 177.300 0.105 0.000 1.187 676 P CA -0.010 63.192 63.100 0.170 0.000 0.766 676 P CB 0.785 32.616 31.700 0.218 0.000 0.820 677 A N 3.465 126.301 122.820 0.025 0.000 2.125 677 A HA -0.172 1.417 4.320 -4.552 0.000 0.219 677 A C 1.534 179.070 177.584 -0.079 0.000 1.156 677 A CA 1.327 53.358 52.037 -0.010 0.000 0.671 677 A CB -1.011 17.983 19.000 -0.010 0.000 0.794 677 A HN 0.700 nan 8.150 nan 0.000 0.459 678 N N -1.076 117.510 118.700 -0.190 0.000 2.521 678 N HA -0.019 1.990 4.740 -4.552 0.000 0.188 678 N C -0.691 174.512 175.510 -0.512 0.000 1.146 678 N CA 0.207 53.059 53.050 -0.329 0.000 0.893 678 N CB -0.457 37.796 38.487 -0.390 0.000 0.975 678 N HN 0.459 nan 8.380 nan 0.000 0.451 679 Y N 1.478 121.661 120.300 -0.195 0.000 2.360 679 Y HA 0.203 2.023 4.550 -4.551 0.000 0.337 679 Y C 0.512 176.326 175.900 -0.144 0.000 1.039 679 Y CA -1.693 56.190 58.100 -0.361 0.000 1.109 679 Y CB 1.032 38.945 38.460 -0.912 0.000 1.201 679 Y HN 0.063 nan 8.280 nan 0.000 0.458 680 E N 3.599 123.913 120.200 0.190 0.000 2.351 680 E HA -0.021 1.598 4.350 -4.552 0.000 0.266 680 E C -0.518 176.243 176.600 0.268 0.000 1.031 680 E CA -0.510 56.017 56.400 0.211 0.000 0.911 680 E CB 0.720 30.548 29.700 0.213 0.000 0.986 680 E HN 0.502 nan 8.360 nan 0.000 0.446 681 Q N 3.992 123.888 119.800 0.159 0.000 2.337 681 Q HA 0.138 1.747 4.340 -4.552 0.000 0.270 681 Q C -2.081 174.000 176.000 0.136 0.000 1.002 681 Q CA -1.592 54.300 55.803 0.149 0.000 0.888 681 Q CB 0.821 29.611 28.738 0.086 0.000 1.222 681 Q HN 0.503 nan 8.270 nan 0.000 0.400 682 P HA -0.085 nan 4.420 nan 0.000 0.265 682 P C 0.450 177.790 177.300 0.067 0.000 1.187 682 P CA 0.319 63.490 63.100 0.118 0.000 0.766 682 P CB 0.506 32.288 31.700 0.137 0.000 0.820 683 E N 0.939 121.156 120.200 0.029 0.000 2.130 683 E HA -0.216 1.403 4.350 -4.552 0.000 0.196 683 E C 0.056 176.313 176.600 -0.572 0.000 0.998 683 E CA 1.592 57.846 56.400 -0.244 0.000 0.806 683 E CB 0.019 29.570 29.700 -0.248 0.000 0.738 683 E HN 0.637 nan 8.360 nan 0.000 0.459 684 H N -1.429 117.620 119.070 -0.035 0.000 2.949 684 H HA 0.131 1.956 4.556 -4.552 0.000 0.310 684 H C -0.564 174.806 175.328 0.070 0.000 1.405 684 H CA -0.855 55.062 56.048 -0.218 0.000 1.253 684 H CB 0.980 30.171 29.762 -0.952 0.000 1.932 684 H HN -0.028 nan 8.280 nan 0.000 0.602 685 D N -0.066 120.436 120.400 0.169 0.000 2.432 685 D HA 0.011 1.920 4.640 -4.552 0.000 0.258 685 D C 1.116 177.583 176.300 0.278 0.000 1.146 685 D CA -0.701 53.415 54.000 0.194 0.000 1.015 685 D CB 0.814 41.673 40.800 0.098 0.000 1.107 685 D HN 0.375 nan 8.370 nan 0.000 0.529 686 L N -0.040 121.306 121.223 0.206 0.000 2.042 686 L HA -0.131 1.478 4.340 -4.552 0.000 0.210 686 L C 2.044 178.938 176.870 0.040 0.000 1.076 686 L CA 2.089 57.035 54.840 0.178 0.000 0.749 686 L CB -1.129 40.988 42.059 0.096 0.000 0.893 686 L HN 0.648 nan 8.230 nan 0.000 0.432 687 E N -1.186 119.009 120.200 -0.007 0.000 2.118 687 E HA -0.332 1.287 4.350 -4.552 0.000 0.195 687 E C 2.176 178.721 176.600 -0.092 0.000 0.992 687 E CA 1.782 58.131 56.400 -0.086 0.000 0.804 687 E CB -0.724 28.941 29.700 -0.058 0.000 0.741 687 E HN 0.649 nan 8.360 nan 0.000 0.458 688 Y N -0.507 119.676 120.300 -0.196 0.000 2.181 688 Y HA -0.264 1.555 4.550 -4.552 0.000 0.288 688 Y C 1.595 177.243 175.900 -0.419 0.000 1.146 688 Y CA 2.025 59.918 58.100 -0.346 0.000 1.164 688 Y CB -0.373 37.811 38.460 -0.460 0.000 0.982 688 Y HN 0.105 nan 8.280 nan 0.000 0.515 689 Y N 0.361 120.679 120.300 0.030 0.000 2.314 689 Y HA -0.118 1.701 4.550 -4.551 0.000 0.293 689 Y C 2.299 178.113 175.900 -0.143 0.000 1.129 689 Y CA 1.403 59.487 58.100 -0.027 0.000 1.201 689 Y CB -0.391 38.143 38.460 0.123 0.000 0.999 689 Y HN 0.035 nan 8.280 nan 0.000 0.541 690 K N -0.434 119.803 120.400 -0.272 0.000 2.057 690 K HA -0.219 1.370 4.320 -4.552 0.000 0.207 690 K C 2.213 178.680 176.600 -0.221 0.000 1.049 690 K CA 1.518 57.532 56.287 -0.456 0.000 0.931 690 K CB -0.266 31.819 32.500 -0.692 0.000 0.714 690 K HN 0.248 nan 8.250 nan 0.000 0.440 691 M N 1.317 120.762 119.600 -0.258 0.000 2.086 691 M HA -0.159 1.590 4.480 -4.552 0.000 0.261 691 M C 1.853 178.000 176.300 -0.256 0.000 1.067 691 M CA 1.697 56.843 55.300 -0.257 0.000 1.116 691 M CB -0.431 31.976 32.600 -0.320 0.000 1.348 691 M HN 0.161 nan 8.290 nan 0.000 0.407 692 L N 0.147 121.165 121.223 -0.341 0.000 2.131 692 L HA -0.154 1.455 4.340 -4.552 0.000 0.210 692 L C 2.670 179.500 176.870 -0.065 0.000 1.092 692 L CA 1.031 55.730 54.840 -0.235 0.000 0.759 692 L CB -1.020 40.900 42.059 -0.232 0.000 0.903 692 L HN 0.364 nan 8.230 nan 0.000 0.435 693 A N 0.165 122.989 122.820 0.007 0.000 1.969 693 A HA -0.171 1.418 4.320 -4.552 0.000 0.218 693 A C 2.361 179.972 177.584 0.046 0.000 1.169 693 A CA 1.229 53.309 52.037 0.071 0.000 0.635 693 A CB -0.374 18.785 19.000 0.264 0.000 0.810 693 A HN 0.340 nan 8.150 nan 0.000 0.445 694 R N -0.841 119.665 120.500 0.011 0.000 2.193 694 R HA -0.043 1.566 4.340 -4.552 0.000 0.213 694 R C 1.703 178.007 176.300 0.006 0.000 1.055 694 R CA 1.608 57.713 56.100 0.009 0.000 0.995 694 R CB -0.159 30.130 30.300 -0.018 0.000 0.893 694 R HN 0.723 nan 8.270 nan 0.000 0.459 695 T N -4.309 110.238 114.554 -0.012 0.000 2.975 695 T HA 0.109 1.728 4.350 -4.552 0.000 0.261 695 T C 0.705 175.429 174.700 0.040 0.000 0.984 695 T CA -0.282 61.817 62.100 -0.000 0.000 0.911 695 T CB 0.504 69.344 68.868 -0.046 0.000 1.127 695 T HN -0.189 nan 8.240 nan 0.000 0.514 696 T N 3.405 117.989 114.554 0.050 0.000 2.814 696 T HA 0.258 1.877 4.350 -4.552 0.000 0.297 696 T C -0.589 174.211 174.700 0.167 0.000 0.956 696 T CA -0.318 61.848 62.100 0.110 0.000 1.123 696 T CB -0.066 68.866 68.868 0.107 0.000 0.902 696 T HN 0.347 nan 8.240 nan 0.000 0.528 697 Y N 4.455 124.796 120.300 0.068 0.000 2.810 697 Y HA 0.128 1.948 4.550 -4.551 0.000 0.332 697 Y C -0.122 175.798 175.900 0.034 0.000 1.243 697 Y CA -0.118 58.014 58.100 0.053 0.000 1.537 697 Y CB 0.212 38.697 38.460 0.042 0.000 1.265 697 Y HN 0.345 nan 8.280 nan 0.000 0.572 698 V N 10.098 129.647 119.914 -0.609 0.000 2.348 698 V HA 0.225 1.614 4.120 -4.552 0.000 0.270 698 V C -1.967 173.588 176.094 -0.900 0.000 1.037 698 V CA -1.599 60.377 62.300 -0.539 0.000 0.872 698 V CB 1.073 32.801 31.823 -0.159 0.000 1.002 698 V HN 0.712 nan 8.190 nan 0.000 0.464 699 P HA 0.305 nan 4.420 nan 0.000 0.225 699 P C -0.406 176.953 177.300 0.099 0.000 1.830 699 P CA 0.106 63.022 63.100 -0.306 0.000 1.051 699 P CB 0.396 32.053 31.700 -0.073 0.000 1.929 700 E N 2.534 122.762 120.200 0.046 0.000 2.304 700 E HA 0.288 1.907 4.350 -4.552 0.000 0.277 700 E C -2.279 174.381 176.600 0.099 0.000 0.898 700 E CA -2.268 54.204 56.400 0.121 0.000 0.764 700 E CB 2.356 32.115 29.700 0.098 0.000 1.216 700 E HN -0.088 nan 8.360 nan 0.000 0.419 701 P HA -0.087 nan 4.420 nan 0.000 0.216 701 P C 0.847 178.214 177.300 0.112 0.000 1.153 701 P CA 0.702 63.865 63.100 0.105 0.000 0.848 701 P CB 0.007 31.767 31.700 0.100 0.000 0.787 702 W N 0.044 121.318 121.300 -0.044 0.000 2.355 702 W HA -0.112 1.825 4.660 -4.539 0.000 0.309 702 W C 1.202 177.694 176.519 -0.045 0.000 1.206 702 W CA 1.383 58.697 57.345 -0.051 0.000 1.284 702 W CB -0.689 28.722 29.460 -0.081 0.000 1.145 702 W HN -0.065 nan 8.180 nan 0.000 0.502 703 H N 1.247 120.220 119.070 -0.161 0.000 2.683 703 H HA 0.072 1.896 4.556 -4.553 0.000 0.339 703 H C -1.630 173.469 175.328 -0.383 0.000 1.081 703 H CA -1.109 54.615 56.048 -0.540 0.000 1.432 703 H CB 1.460 31.131 29.762 -0.152 0.000 1.462 703 H HN -0.119 nan 8.280 nan 0.000 0.557 704 P HA -0.137 nan 4.420 nan 0.000 0.220 704 P C 1.076 178.324 177.300 -0.086 0.000 1.144 704 P CA 1.608 64.474 63.100 -0.389 0.000 0.800 704 P CB 0.049 31.471 31.700 -0.463 0.000 0.772 705 A N 0.250 123.180 122.820 0.183 0.000 1.972 705 A HA -0.192 1.397 4.320 -4.552 0.000 0.219 705 A C 2.288 179.904 177.584 0.053 0.000 1.169 705 A CA 2.075 54.202 52.037 0.150 0.000 0.635 705 A CB -1.546 17.561 19.000 0.179 0.000 0.810 705 A HN 0.364 nan 8.150 nan 0.000 0.446 706 S N -0.700 115.012 115.700 0.020 0.000 2.469 706 S HA -0.058 1.681 4.470 -4.552 0.000 0.238 706 S C 1.541 176.193 174.600 0.086 0.000 0.998 706 S CA 1.393 59.572 58.200 -0.035 0.000 0.957 706 S CB -0.354 62.811 63.200 -0.058 0.000 0.764 706 S HN 0.391 nan 8.310 nan 0.000 0.514 707 S N 1.068 116.794 115.700 0.044 0.000 2.556 707 S HA 0.282 2.021 4.470 -4.552 0.000 0.216 707 S C 0.655 175.281 174.600 0.043 0.000 0.970 707 S CA -0.189 58.039 58.200 0.046 0.000 0.912 707 S CB 0.073 63.273 63.200 -0.000 0.000 0.790 707 S HN 0.576 nan 8.310 nan 0.000 0.504 708 S N 1.723 117.451 115.700 0.046 0.000 2.537 708 S HA 0.134 1.873 4.470 -4.552 0.000 0.286 708 S C 0.872 175.502 174.600 0.050 0.000 1.299 708 S CA -0.228 57.996 58.200 0.040 0.000 1.067 708 S CB 0.295 63.521 63.200 0.044 0.000 0.864 708 S HN 0.372 nan 8.310 nan 0.000 0.494 709 R N 3.080 123.599 120.500 0.032 0.000 2.388 709 R HA 0.177 1.786 4.340 -4.552 0.000 0.247 709 R C -0.209 176.103 176.300 0.020 0.000 0.931 709 R CA -0.217 55.900 56.100 0.028 0.000 1.082 709 R CB 0.205 30.516 30.300 0.018 0.000 1.135 709 R HN 0.438 nan 8.270 nan 0.000 0.525 710 V N 1.834 121.761 119.914 0.021 0.000 2.599 710 V HA -0.065 1.324 4.120 -4.552 0.000 0.300 710 V C 1.131 177.228 176.094 0.005 0.000 1.034 710 V CA 0.917 63.223 62.300 0.010 0.000 1.115 710 V CB 0.920 32.750 31.823 0.011 0.000 0.934 710 V HN 0.383 nan 8.190 nan 0.000 0.485 711 L N 4.471 125.689 121.223 -0.008 0.000 3.086 711 L HA 0.366 1.975 4.340 -4.552 0.000 0.274 711 L C 0.734 177.583 176.870 -0.035 0.000 1.184 711 L CA 0.267 55.097 54.840 -0.017 0.000 1.002 711 L CB 0.224 42.276 42.059 -0.011 0.000 1.383 711 L HN 0.573 nan 8.230 nan 0.000 0.582 712 K N 0.000 120.376 120.400 -0.039 0.000 2.780 712 K HA 0.000 1.589 4.320 -4.552 0.000 0.191 712 K CA 0.000 56.254 56.287 -0.056 0.000 0.838 712 K CB 0.000 32.476 32.500 -0.041 0.000 1.064 712 K HN 0.000 nan 8.250 nan 0.000 0.543