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 1gqi_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 FLVKADSEGQ PGPQGYGRDH DATA SEQUENCE AEGANMLAAA LKPFGGVVFW RAFVYHPDIE 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 0.000 176.629 176.600 0.048 0.000 1.382 5 E CA 0.000 56.414 56.400 0.023 0.000 0.976 5 E CB 0.000 29.711 29.700 0.018 0.000 0.812 6 D N 0.626 121.055 120.400 0.048 0.000 2.402 6 D HA 0.194 2.705 4.640 -3.548 0.000 0.216 6 D C 1.242 177.597 176.300 0.093 0.000 1.128 6 D CA 0.291 54.332 54.000 0.069 0.000 0.833 6 D CB 0.521 41.354 40.800 0.055 0.000 0.971 6 D HN 0.662 nan 8.370 nan 0.000 0.503 7 G N 0.317 109.155 108.800 0.064 0.000 2.179 7 G HA2 -0.468 1.363 3.960 -3.548 0.000 0.260 7 G HA3 -0.468 1.363 3.960 -3.548 0.000 0.260 7 G C 0.745 175.731 174.900 0.144 0.000 0.977 7 G CA 0.447 45.585 45.100 0.064 0.000 0.641 7 G HN 0.393 nan 8.290 nan 0.000 0.533 8 Y N 1.634 121.975 120.300 0.068 0.000 2.274 8 Y HA -0.005 2.420 4.550 -3.542 0.000 0.290 8 Y C 2.173 178.185 175.900 0.186 0.000 1.145 8 Y CA 2.235 60.441 58.100 0.177 0.000 1.203 8 Y CB 0.140 38.636 38.460 0.060 0.000 0.984 8 Y HN 0.313 nan 8.280 nan 0.000 0.533 9 D N -0.115 120.274 120.400 -0.018 0.000 2.347 9 D HA -0.083 2.428 4.640 -3.548 0.000 0.213 9 D C 1.415 177.411 176.300 -0.506 0.000 0.985 9 D CA 0.911 54.760 54.000 -0.252 0.000 0.879 9 D CB 0.062 40.741 40.800 -0.202 0.000 0.919 9 D HN 0.371 nan 8.370 nan 0.000 0.526 10 M N -0.775 118.558 119.600 -0.445 0.000 7.319 10 M HA -0.297 2.054 4.480 -3.548 0.000 0.321 10 M C 1.117 177.111 176.300 -0.511 0.000 0.480 10 M CA 1.901 56.851 55.300 -0.584 0.000 1.311 10 M CB -1.958 29.937 32.600 -1.175 0.000 0.421 10 M HN 0.357 nan 8.290 nan 0.000 0.817 11 W N 1.492 122.560 121.300 -0.386 0.000 3.290 11 W HA 0.577 3.103 4.660 -3.557 0.000 0.287 11 W C 0.731 177.020 176.519 -0.384 0.000 1.288 11 W CA -0.188 56.904 57.345 -0.422 0.000 1.725 11 W CB -0.516 28.724 29.460 -0.367 0.000 1.103 11 W HN 0.288 nan 8.180 nan 0.000 0.670 12 L N 2.810 123.706 121.223 -0.546 0.000 2.783 12 L HA 0.392 2.604 4.340 -3.548 0.000 0.235 12 L C 0.157 176.493 176.870 -0.891 0.000 1.260 12 L CA -0.258 54.192 54.840 -0.651 0.000 1.184 12 L CB -0.382 41.337 42.059 -0.567 0.000 1.472 12 L HN -0.107 nan 8.230 nan 0.000 0.426 13 R N 0.615 120.754 120.500 -0.601 0.000 2.204 13 R HA 0.256 2.467 4.340 -3.548 0.000 0.341 13 R C -1.085 175.048 176.300 -0.279 0.000 1.035 13 R CA -0.496 55.355 56.100 -0.415 0.000 0.887 13 R CB 0.621 30.762 30.300 -0.265 0.000 1.114 13 R HN 0.140 nan 8.270 nan 0.000 0.473 14 Y N 2.335 122.613 120.300 -0.037 0.000 2.888 14 Y HA 0.198 2.620 4.550 -3.547 0.000 0.341 14 Y C 0.311 176.195 175.900 -0.027 0.000 1.241 14 Y CA -0.644 57.439 58.100 -0.029 0.000 1.440 14 Y CB 0.173 38.620 38.460 -0.021 0.000 1.517 14 Y HN 0.339 nan 8.280 nan 0.000 0.518 15 Q N 3.163 123.017 119.800 0.091 0.000 2.226 15 Q HA 0.383 2.594 4.340 -3.548 0.000 0.256 15 Q C -2.375 173.652 176.000 0.045 0.000 0.962 15 Q CA -2.403 53.428 55.803 0.046 0.000 0.887 15 Q CB 1.378 30.120 28.738 0.006 0.000 1.282 15 Q HN 0.199 nan 8.270 nan 0.000 0.449 16 P HA -0.039 nan 4.420 nan 0.000 0.265 16 P C -0.377 176.947 177.300 0.040 0.000 1.193 16 P CA 0.060 63.180 63.100 0.033 0.000 0.765 16 P CB 0.461 32.175 31.700 0.023 0.000 0.823 17 I N 2.652 123.258 120.570 0.061 0.000 2.741 17 I HA -0.108 1.934 4.170 -3.548 0.000 0.288 17 I C 1.848 178.001 176.117 0.059 0.000 1.192 17 I CA 0.507 61.858 61.300 0.086 0.000 1.426 17 I CB -0.285 37.819 38.000 0.174 0.000 1.367 17 I HN 0.470 nan 8.210 nan 0.000 0.563 18 A N 5.744 128.589 122.820 0.043 0.000 1.970 18 A HA -0.088 2.103 4.320 -3.548 0.000 0.216 18 A C 1.058 178.654 177.584 0.019 0.000 1.170 18 A CA 0.474 52.526 52.037 0.024 0.000 0.645 18 A CB -0.189 18.819 19.000 0.014 0.000 0.816 18 A HN 0.750 nan 8.150 nan 0.000 0.447 19 D N 0.319 120.733 120.400 0.024 0.000 2.342 19 D HA 0.080 2.592 4.640 -3.548 0.000 0.260 19 D C 0.682 176.982 176.300 -0.001 0.000 1.278 19 D CA -0.090 53.913 54.000 0.006 0.000 0.910 19 D CB 0.671 41.470 40.800 -0.001 0.000 1.079 19 D HN 0.206 nan 8.370 nan 0.000 0.496 20 Q N 2.299 122.095 119.800 -0.008 0.000 2.170 20 Q HA -0.095 2.116 4.340 -3.548 0.000 0.203 20 Q C 1.727 177.708 176.000 -0.031 0.000 0.976 20 Q CA 1.186 56.982 55.803 -0.012 0.000 0.858 20 Q CB -0.313 28.417 28.738 -0.013 0.000 0.907 20 Q HN 0.536 nan 8.270 nan 0.000 0.433 21 T N 1.715 116.243 114.554 -0.043 0.000 2.777 21 T HA -0.033 2.188 4.350 -3.548 0.000 0.266 21 T C 2.051 176.687 174.700 -0.106 0.000 1.040 21 T CA 0.712 62.773 62.100 -0.065 0.000 1.141 21 T CB -0.130 68.701 68.868 -0.060 0.000 0.868 21 T HN 0.167 nan 8.240 nan 0.000 0.444 22 L N 0.423 121.573 121.223 -0.121 0.000 2.093 22 L HA -0.002 2.210 4.340 -3.548 0.000 0.208 22 L C 2.450 179.167 176.870 -0.256 0.000 1.085 22 L CA 0.626 55.318 54.840 -0.246 0.000 0.755 22 L CB -0.573 41.364 42.059 -0.203 0.000 0.904 22 L HN 0.228 nan 8.230 nan 0.000 0.435 23 L N 0.163 121.357 121.223 -0.049 0.000 2.012 23 L HA -0.219 1.992 4.340 -3.548 0.000 0.210 23 L C 2.572 179.454 176.870 0.019 0.000 1.073 23 L CA 1.868 56.750 54.840 0.070 0.000 0.748 23 L CB -0.585 41.511 42.059 0.062 0.000 0.891 23 L HN 0.059 nan 8.230 nan 0.000 0.431 24 K N -0.782 119.594 120.400 -0.040 0.000 2.097 24 K HA -0.083 2.109 4.320 -3.548 0.000 0.206 24 K C 2.050 178.601 176.600 -0.081 0.000 1.049 24 K CA 1.763 58.018 56.287 -0.053 0.000 0.933 24 K CB -1.034 31.429 32.500 -0.061 0.000 0.717 24 K HN 0.423 nan 8.250 nan 0.000 0.442 25 T N 0.931 115.403 114.554 -0.138 0.000 2.708 25 T HA -0.125 2.097 4.350 -3.548 0.000 0.266 25 T C 1.744 176.386 174.700 -0.097 0.000 1.037 25 T CA 1.228 63.229 62.100 -0.166 0.000 1.146 25 T CB -0.321 68.398 68.868 -0.249 0.000 0.865 25 T HN 0.098 nan 8.240 nan 0.000 0.435 26 Y N 1.928 122.208 120.300 -0.033 0.000 2.224 26 Y HA -0.087 2.335 4.550 -3.547 0.000 0.289 26 Y C 2.691 178.562 175.900 -0.048 0.000 1.146 26 Y CA 0.470 58.554 58.100 -0.026 0.000 1.182 26 Y CB -0.815 37.636 38.460 -0.015 0.000 0.983 26 Y HN 0.325 nan 8.280 nan 0.000 0.524 27 Q N 0.004 119.864 119.800 0.099 0.000 2.124 27 Q HA -0.199 2.013 4.340 -3.548 0.000 0.202 27 Q C 2.040 178.000 176.000 -0.068 0.000 0.977 27 Q CA 1.501 57.306 55.803 0.004 0.000 0.850 27 Q CB -0.167 28.561 28.738 -0.016 0.000 0.901 27 Q HN 0.475 nan 8.270 nan 0.000 0.429 28 K N 0.272 120.608 120.400 -0.107 0.000 2.155 28 K HA -0.122 2.070 4.320 -3.548 0.000 0.203 28 K C 2.027 178.460 176.600 -0.278 0.000 1.052 28 K CA 0.987 57.128 56.287 -0.243 0.000 0.948 28 K CB 0.116 32.462 32.500 -0.255 0.000 0.728 28 K HN 0.238 nan 8.250 nan 0.000 0.448 29 Q N -0.051 119.709 119.800 -0.067 0.000 2.163 29 Q HA 0.049 2.260 4.340 -3.548 0.000 0.198 29 Q C 0.192 176.284 176.000 0.154 0.000 0.954 29 Q CA 0.581 56.438 55.803 0.089 0.000 0.851 29 Q CB 0.527 29.347 28.738 0.137 0.000 0.928 29 Q HN 0.126 nan 8.270 nan 0.000 0.459 30 I N 1.165 121.783 120.570 0.080 0.000 2.460 30 I HA 0.222 2.263 4.170 -3.548 0.000 0.277 30 I C 0.404 176.506 176.117 -0.025 0.000 1.057 30 I CA 0.161 61.495 61.300 0.057 0.000 1.179 30 I CB 0.930 38.949 38.000 0.031 0.000 1.329 30 I HN 0.150 nan 8.210 nan 0.000 0.478 31 R N 2.445 122.910 120.500 -0.059 0.000 2.265 31 R HA 0.204 2.415 4.340 -3.548 0.000 0.194 31 R C -0.273 175.634 176.300 -0.654 0.000 0.931 31 R CA 0.367 56.274 56.100 -0.321 0.000 1.032 31 R CB 0.461 30.556 30.300 -0.342 0.000 0.980 31 R HN 0.564 nan 8.270 nan 0.000 0.497 32 H N -1.302 117.808 119.070 0.067 0.000 3.016 32 H HA 0.372 2.799 4.556 -3.548 0.000 0.362 32 H C -1.823 173.536 175.328 0.052 0.000 1.233 32 H CA -0.951 55.130 56.048 0.056 0.000 1.124 32 H CB 2.151 31.958 29.762 0.075 0.000 1.850 32 H HN -0.178 nan 8.280 nan 0.000 0.549 33 L N 2.218 123.540 121.223 0.165 0.000 2.372 33 L HA 0.310 2.521 4.340 -3.548 0.000 0.273 33 L C -1.385 175.543 176.870 0.098 0.000 0.989 33 L CA -0.312 54.584 54.840 0.093 0.000 0.841 33 L CB 0.796 42.867 42.059 0.021 0.000 1.225 33 L HN 0.727 nan 8.230 nan 0.000 0.414 34 H N 5.313 124.400 119.070 0.028 0.000 2.541 34 H HA 0.632 3.059 4.556 -3.548 0.000 0.316 34 H C -1.680 173.645 175.328 -0.004 0.000 1.043 34 H CA -0.376 55.679 56.048 0.011 0.000 1.232 34 H CB 1.533 31.302 29.762 0.010 0.000 1.406 34 H HN 0.455 nan 8.280 nan 0.000 0.469 35 V N 5.578 125.332 119.914 -0.266 0.000 2.447 35 V HA 0.253 2.244 4.120 -3.548 0.000 0.292 35 V C 0.859 176.839 176.094 -0.189 0.000 1.021 35 V CA -0.121 62.109 62.300 -0.117 0.000 0.850 35 V CB 0.945 32.717 31.823 -0.087 0.000 1.005 35 V HN 0.914 nan 8.190 nan 0.000 0.426 36 A N 3.583 126.370 122.820 -0.055 0.000 1.975 36 A HA 0.420 2.611 4.320 -3.548 0.000 0.215 36 A C 1.437 179.008 177.584 -0.023 0.000 1.170 36 A CA 0.970 52.991 52.037 -0.027 0.000 0.656 36 A CB -0.246 18.810 19.000 0.094 0.000 0.821 36 A HN 0.957 nan 8.150 nan 0.000 0.449 37 G N -0.137 108.655 108.800 -0.013 0.000 2.606 37 G HA2 0.384 2.215 3.960 -3.548 0.000 0.252 37 G HA3 0.384 2.215 3.960 -3.548 0.000 0.252 37 G C -0.095 174.788 174.900 -0.028 0.000 1.206 37 G CA 0.460 45.551 45.100 -0.015 0.000 0.861 37 G HN 0.388 nan 8.290 nan 0.000 0.561 38 D N -2.145 118.241 120.400 -0.023 0.000 2.615 38 D HA 0.048 2.559 4.640 -3.548 0.000 0.274 38 D C 0.913 177.200 176.300 -0.021 0.000 1.512 38 D CA 0.052 54.037 54.000 -0.025 0.000 0.803 38 D CB -0.564 40.224 40.800 -0.021 0.000 1.182 38 D HN 0.455 nan 8.370 nan 0.000 0.473 39 S N -0.031 115.656 115.700 -0.021 0.000 2.589 39 S HA 0.280 2.621 4.470 -3.548 0.000 0.265 39 S C -1.443 173.137 174.600 -0.032 0.000 1.342 39 S CA -0.599 57.590 58.200 -0.019 0.000 1.005 39 S CB 1.395 64.585 63.200 -0.017 0.000 0.909 39 S HN -0.205 nan 8.310 nan 0.000 0.555 40 P HA -0.059 nan 4.420 nan 0.000 0.216 40 P C 1.416 178.659 177.300 -0.096 0.000 1.150 40 P CA 1.418 64.492 63.100 -0.044 0.000 0.843 40 P CB -0.266 31.424 31.700 -0.018 0.000 0.787 41 T N -0.586 113.912 114.554 -0.093 0.000 2.812 41 T HA -0.053 2.169 4.350 -3.548 0.000 0.264 41 T C 1.703 176.320 174.700 -0.138 0.000 1.042 41 T CA 0.827 62.842 62.100 -0.142 0.000 1.140 41 T CB -0.600 68.209 68.868 -0.099 0.000 0.870 41 T HN -0.030 nan 8.240 nan 0.000 0.445 42 I N 2.263 122.779 120.570 -0.091 0.000 2.226 42 I HA -0.120 1.921 4.170 -3.548 0.000 0.245 42 I C 2.128 178.192 176.117 -0.090 0.000 1.100 42 I CA 1.185 62.436 61.300 -0.081 0.000 1.374 42 I CB -1.136 36.833 38.000 -0.052 0.000 1.057 42 I HN 0.228 nan 8.210 nan 0.000 0.413 43 N N 1.430 120.081 118.700 -0.082 0.000 2.166 43 N HA -0.118 2.493 4.740 -3.548 0.000 0.186 43 N C 1.932 177.388 175.510 -0.090 0.000 1.019 43 N CA 1.594 54.601 53.050 -0.071 0.000 0.856 43 N CB -0.245 38.213 38.487 -0.048 0.000 0.993 43 N HN 0.363 nan 8.380 nan 0.000 0.426 44 A N 0.816 123.543 122.820 -0.155 0.000 1.930 44 A HA 0.077 2.268 4.320 -3.548 0.000 0.217 44 A C 2.357 179.852 177.584 -0.149 0.000 1.175 44 A CA 1.756 53.667 52.037 -0.209 0.000 0.627 44 A CB -0.748 17.883 19.000 -0.615 0.000 0.815 44 A HN 0.304 nan 8.150 nan 0.000 0.443 45 A N -0.017 122.700 122.820 -0.172 0.000 1.877 45 A HA 0.155 2.346 4.320 -3.548 0.000 0.216 45 A C 2.513 179.998 177.584 -0.166 0.000 1.186 45 A CA 2.110 54.033 52.037 -0.191 0.000 0.620 45 A CB -1.047 17.855 19.000 -0.164 0.000 0.822 45 A HN 1.044 nan 8.150 nan 0.000 0.443 46 A N -0.181 122.568 122.820 -0.118 0.000 1.902 46 A HA 0.158 2.349 4.320 -3.548 0.000 0.217 46 A C 2.495 180.027 177.584 -0.088 0.000 1.181 46 A CA 2.104 54.084 52.037 -0.096 0.000 0.623 46 A CB -0.991 17.965 19.000 -0.074 0.000 0.818 46 A HN 1.067 nan 8.150 nan 0.000 0.443 47 A N -0.521 122.261 122.820 -0.064 0.000 1.933 47 A HA -0.130 2.061 4.320 -3.548 0.000 0.218 47 A C 1.969 179.524 177.584 -0.049 0.000 1.175 47 A CA 2.087 54.107 52.037 -0.029 0.000 0.628 47 A CB -0.429 18.586 19.000 0.025 0.000 0.814 47 A HN 0.521 nan 8.150 nan 0.000 0.444 48 E N 0.069 120.216 120.200 -0.089 0.000 2.072 48 E HA -0.084 2.138 4.350 -3.548 0.000 0.191 48 E C 1.845 178.288 176.600 -0.262 0.000 0.985 48 E CA 1.102 57.409 56.400 -0.155 0.000 0.801 48 E CB -0.337 29.165 29.700 -0.330 0.000 0.750 48 E HN 0.591 nan 8.360 nan 0.000 0.452 49 L N 0.244 121.321 121.223 -0.245 0.000 2.093 49 L HA -0.157 2.054 4.340 -3.548 0.000 0.208 49 L C 2.733 179.481 176.870 -0.203 0.000 1.085 49 L CA 1.402 56.099 54.840 -0.238 0.000 0.755 49 L CB -0.382 41.569 42.059 -0.180 0.000 0.904 49 L HN 0.263 nan 8.230 nan 0.000 0.435 50 Q N 0.707 120.420 119.800 -0.145 0.000 2.050 50 Q HA -0.239 1.972 4.340 -3.548 0.000 0.202 50 Q C 2.394 178.317 176.000 -0.128 0.000 0.980 50 Q CA 1.969 57.707 55.803 -0.108 0.000 0.840 50 Q CB -0.006 28.694 28.738 -0.065 0.000 0.898 50 Q HN 0.497 nan 8.270 nan 0.000 0.424 51 R N -0.976 119.443 120.500 -0.135 0.000 2.092 51 R HA -0.011 2.200 4.340 -3.548 0.000 0.231 51 R C 2.145 178.265 176.300 -0.300 0.000 1.119 51 R CA 1.394 57.424 56.100 -0.117 0.000 0.970 51 R CB -0.768 29.529 30.300 -0.005 0.000 0.864 51 R HN 0.265 nan 8.270 nan 0.000 0.440 52 G N 2.011 110.429 108.800 -0.637 0.000 2.404 52 G HA2 -0.131 1.701 3.960 -3.548 0.000 0.214 52 G HA3 -0.131 1.701 3.960 -3.548 0.000 0.214 52 G C 1.603 176.188 174.900 -0.525 0.000 1.189 52 G CA 0.529 44.909 45.100 -1.200 0.000 0.789 52 G HN 0.156 nan 8.290 nan 0.000 0.533 53 L N 0.903 121.921 121.223 -0.341 0.000 2.083 53 L HA -0.087 2.125 4.340 -3.548 0.000 0.209 53 L C 3.182 179.969 176.870 -0.139 0.000 1.083 53 L CA 1.176 55.893 54.840 -0.205 0.000 0.752 53 L CB -0.396 41.569 42.059 -0.158 0.000 0.899 53 L HN 0.161 nan 8.230 nan 0.000 0.433 54 S N 0.019 115.643 115.700 -0.125 0.000 2.368 54 S HA -0.123 2.219 4.470 -3.548 0.000 0.225 54 S C 2.003 176.576 174.600 -0.044 0.000 1.030 54 S CA 1.286 59.444 58.200 -0.070 0.000 0.999 54 S CB -0.536 62.633 63.200 -0.053 0.000 0.844 54 S HN 0.617 nan 8.310 nan 0.000 0.459 55 G N 1.404 110.179 108.800 -0.041 0.000 2.404 55 G HA2 -0.055 1.777 3.960 -3.548 0.000 0.214 55 G HA3 -0.055 1.777 3.960 -3.548 0.000 0.214 55 G C 1.327 176.242 174.900 0.024 0.000 1.189 55 G CA 0.375 45.489 45.100 0.023 0.000 0.789 55 G HN 0.423 nan 8.290 nan 0.000 0.533 56 L N -0.454 120.769 121.223 -0.001 0.000 2.141 56 L HA 0.056 2.268 4.340 -3.548 0.000 0.209 56 L C 2.253 179.119 176.870 -0.007 0.000 1.094 56 L CA 0.338 55.179 54.840 0.000 0.000 0.763 56 L CB -0.139 41.890 42.059 -0.050 0.000 0.908 56 L HN 0.122 nan 8.230 nan 0.000 0.437 57 L N -0.898 120.309 121.223 -0.027 0.000 2.607 57 L HA 0.110 2.321 4.340 -3.548 0.000 0.228 57 L C 0.727 177.597 176.870 -0.001 0.000 1.123 57 L CA 0.229 55.066 54.840 -0.004 0.000 0.890 57 L CB -0.767 41.277 42.059 -0.024 0.000 1.103 57 L HN 0.252 nan 8.230 nan 0.000 0.468 58 N N 1.162 119.860 118.700 -0.003 0.000 2.740 58 N HA -0.252 2.359 4.740 -3.548 0.000 0.248 58 N C -0.396 175.108 175.510 -0.010 0.000 1.062 58 N CA 1.146 54.196 53.050 -0.002 0.000 0.704 58 N CB -0.602 37.888 38.487 0.005 0.000 0.968 58 N HN 0.633 nan 8.380 nan 0.000 0.547 59 K N -2.644 117.744 120.400 -0.019 0.000 2.575 59 K HA 0.590 2.782 4.320 -3.548 0.000 0.279 59 K C -3.357 173.226 176.600 -0.029 0.000 0.969 59 K CA -1.843 54.430 56.287 -0.024 0.000 0.868 59 K CB 1.467 33.948 32.500 -0.031 0.000 1.457 59 K HN -0.180 nan 8.250 nan 0.000 0.426 60 P HA 0.219 nan 4.420 nan 0.000 0.275 60 P C -0.686 176.598 177.300 -0.027 0.000 1.276 60 P CA -0.218 62.870 63.100 -0.021 0.000 0.782 60 P CB 0.186 31.881 31.700 -0.009 0.000 0.851 61 I N 4.734 125.283 120.570 -0.035 0.000 2.389 61 I HA 0.303 2.344 4.170 -3.548 0.000 0.288 61 I C -0.088 176.015 176.117 -0.024 0.000 0.999 61 I CA -0.842 60.437 61.300 -0.035 0.000 1.129 61 I CB 1.917 39.884 38.000 -0.056 0.000 1.288 61 I HN 0.026 nan 8.210 nan 0.000 0.444 62 V N 5.266 125.178 119.914 -0.002 0.000 2.540 62 V HA 0.555 2.546 4.120 -3.548 0.000 0.302 62 V C 0.558 176.650 176.094 -0.004 0.000 1.035 62 V CA -0.944 61.354 62.300 -0.005 0.000 0.873 62 V CB 1.849 33.675 31.823 0.005 0.000 0.992 62 V HN 0.852 nan 8.190 nan 0.000 0.428 63 A N 6.174 128.980 122.820 -0.024 0.000 2.524 63 A HA 0.593 2.785 4.320 -3.548 0.000 0.250 63 A C 0.300 177.852 177.584 -0.052 0.000 1.078 63 A CA 0.201 52.215 52.037 -0.040 0.000 0.761 63 A CB 0.017 18.985 19.000 -0.054 0.000 1.012 63 A HN 0.857 nan 8.150 nan 0.000 0.500 64 R N 1.083 121.535 120.500 -0.081 0.000 2.771 64 R HA 0.405 2.616 4.340 -3.548 0.000 0.274 64 R C -1.665 174.481 176.300 -0.258 0.000 0.987 64 R CA -0.842 55.189 56.100 -0.114 0.000 0.908 64 R CB 1.918 32.182 30.300 -0.060 0.000 1.213 64 R HN 0.716 nan 8.270 nan 0.000 0.468 65 D N 2.565 122.829 120.400 -0.227 0.000 2.477 65 D HA 0.141 2.652 4.640 -3.548 0.000 0.239 65 D C -0.887 175.322 176.300 -0.152 0.000 1.102 65 D CA -0.255 53.563 54.000 -0.304 0.000 0.901 65 D CB 0.479 41.174 40.800 -0.174 0.000 1.026 65 D HN 0.551 nan 8.370 nan 0.000 0.515 66 E N 1.012 121.145 120.200 -0.112 0.000 2.458 66 E HA 0.334 2.555 4.350 -3.548 0.000 0.278 66 E C -0.718 175.955 176.600 0.121 0.000 1.004 66 E CA -1.264 55.142 56.400 0.010 0.000 0.823 66 E CB 1.142 30.835 29.700 -0.012 0.000 1.396 66 E HN 0.013 nan 8.360 nan 0.000 0.463 67 K N 1.259 121.697 120.400 0.062 0.000 2.484 67 K HA 0.028 2.219 4.320 -3.548 0.000 0.280 67 K C -0.195 176.429 176.600 0.040 0.000 1.013 67 K CA -0.435 55.881 56.287 0.049 0.000 1.029 67 K CB 0.317 32.821 32.500 0.008 0.000 0.902 67 K HN 0.503 nan 8.250 nan 0.000 0.481 68 L N 4.752 125.974 121.223 -0.001 0.000 2.540 68 L HA -0.004 2.207 4.340 -3.548 0.000 0.276 68 L C -0.508 176.327 176.870 -0.059 0.000 1.212 68 L CA 1.177 55.980 54.840 -0.062 0.000 0.893 68 L CB 0.188 42.143 42.059 -0.173 0.000 1.138 68 L HN 0.582 nan 8.230 nan 0.000 0.491 69 K N 3.329 123.688 120.400 -0.070 0.000 2.156 69 K HA 0.271 2.462 4.320 -3.548 0.000 0.250 69 K C -0.779 175.827 176.600 0.010 0.000 0.955 69 K CA -1.050 55.177 56.287 -0.100 0.000 0.855 69 K CB 1.040 33.310 32.500 -0.383 0.000 1.101 69 K HN 0.568 nan 8.250 nan 0.000 0.434 70 D N 0.812 121.246 120.400 0.056 0.000 2.455 70 D HA -0.039 2.472 4.640 -3.548 0.000 0.241 70 D C -0.767 175.677 176.300 0.239 0.000 1.138 70 D CA 0.873 54.912 54.000 0.065 0.000 0.877 70 D CB 0.104 40.974 40.800 0.116 0.000 1.187 70 D HN 0.422 nan 8.370 nan 0.000 0.451 71 Y N 0.271 120.678 120.300 0.178 0.000 3.128 71 Y HA -0.237 2.184 4.550 -3.548 0.000 0.187 71 Y C -0.008 175.985 175.900 0.156 0.000 1.597 71 Y CA 0.322 58.505 58.100 0.138 0.000 1.183 71 Y CB -1.841 36.659 38.460 0.067 0.000 1.454 71 Y HN 0.107 nan 8.280 nan 0.000 0.460 72 S N 0.377 116.204 115.700 0.212 0.000 2.578 72 S HA 0.754 3.095 4.470 -3.548 0.000 0.301 72 S C -0.513 174.161 174.600 0.122 0.000 1.091 72 S CA -0.924 57.389 58.200 0.189 0.000 1.032 72 S CB 2.141 65.437 63.200 0.160 0.000 1.064 72 S HN 0.301 nan 8.310 nan 0.000 0.508 73 L N 3.300 124.588 121.223 0.107 0.000 2.265 73 L HA 0.596 2.807 4.340 -3.548 0.000 0.288 73 L C -1.219 175.698 176.870 0.079 0.000 1.058 73 L CA -0.092 54.788 54.840 0.067 0.000 0.809 73 L CB 0.703 42.781 42.059 0.032 0.000 1.179 73 L HN 0.413 nan 8.230 nan 0.000 0.429 74 V N 7.003 126.951 119.914 0.057 0.000 2.409 74 V HA 0.496 2.487 4.120 -3.548 0.000 0.291 74 V C 0.003 176.130 176.094 0.054 0.000 1.020 74 V CA -0.543 61.799 62.300 0.070 0.000 0.848 74 V CB 1.409 33.226 31.823 -0.009 0.000 0.990 74 V HN 0.755 nan 8.190 nan 0.000 0.430 75 I N 2.101 122.714 120.570 0.072 0.000 2.646 75 I HA 1.090 3.132 4.170 -3.548 0.000 0.299 75 I C 0.090 176.233 176.117 0.044 0.000 1.036 75 I CA -0.289 61.033 61.300 0.036 0.000 1.074 75 I CB 2.311 40.309 38.000 -0.002 0.000 1.258 75 I HN 0.806 nan 8.210 nan 0.000 0.430 76 G N 2.783 111.602 108.800 0.032 0.000 2.359 76 G HA2 0.370 2.201 3.960 -3.548 0.000 0.293 76 G HA3 0.370 2.201 3.960 -3.548 0.000 0.293 76 G C -0.943 173.979 174.900 0.036 0.000 1.300 76 G CA -0.211 44.908 45.100 0.032 0.000 0.888 76 G HN 1.015 nan 8.290 nan 0.000 0.541 77 T N -1.863 112.711 114.554 0.032 0.000 2.950 77 T HA 0.726 2.948 4.350 -3.548 0.000 0.288 77 T C -1.901 172.816 174.700 0.029 0.000 1.035 77 T CA -1.474 60.647 62.100 0.035 0.000 1.028 77 T CB 2.546 71.434 68.868 0.032 0.000 1.109 77 T HN 0.186 nan 8.240 nan 0.000 0.514 78 P HA -0.044 nan 4.420 nan 0.000 0.219 78 P C 0.869 178.180 177.300 0.018 0.000 1.146 78 P CA 0.920 64.032 63.100 0.020 0.000 0.808 78 P CB 0.045 31.756 31.700 0.018 0.000 0.779 79 D N -1.068 119.343 120.400 0.019 0.000 2.234 79 D HA -0.075 2.436 4.640 -3.548 0.000 0.205 79 D C 1.195 177.505 176.300 0.017 0.000 0.962 79 D CA 1.101 55.111 54.000 0.017 0.000 0.855 79 D CB -0.342 40.469 40.800 0.017 0.000 0.951 79 D HN 0.388 nan 8.370 nan 0.000 0.500 80 N N -1.234 117.478 118.700 0.019 0.000 2.171 80 N HA -0.013 2.598 4.740 -3.548 0.000 0.212 80 N C -0.387 175.140 175.510 0.029 0.000 1.184 80 N CA -0.210 52.851 53.050 0.019 0.000 0.888 80 N CB 0.736 39.231 38.487 0.013 0.000 1.038 80 N HN -0.182 nan 8.380 nan 0.000 0.517 81 S N 0.509 116.229 115.700 0.034 0.000 2.745 81 S HA 0.455 2.796 4.470 -3.548 0.000 0.283 81 S C -2.208 172.410 174.600 0.030 0.000 1.170 81 S CA -1.333 56.896 58.200 0.049 0.000 1.119 81 S CB 1.169 64.405 63.200 0.059 0.000 1.035 81 S HN -0.166 nan 8.310 nan 0.000 0.483 82 P HA -0.104 nan 4.420 nan 0.000 0.217 82 P C 1.386 178.680 177.300 -0.009 0.000 1.148 82 P CA 0.974 64.080 63.100 0.010 0.000 0.828 82 P CB 0.112 31.820 31.700 0.013 0.000 0.783 83 L N -1.303 119.905 121.223 -0.025 0.000 2.017 83 L HA -0.163 2.048 4.340 -3.548 0.000 0.208 83 L C 2.416 179.259 176.870 -0.043 0.000 1.073 83 L CA 1.370 56.170 54.840 -0.067 0.000 0.745 83 L CB -0.862 41.102 42.059 -0.157 0.000 0.894 83 L HN -0.049 nan 8.230 nan 0.000 0.432 84 I N 0.135 120.693 120.570 -0.020 0.000 2.226 84 I HA -0.260 1.781 4.170 -3.548 0.000 0.245 84 I C 2.838 178.953 176.117 -0.003 0.000 1.100 84 I CA 1.430 62.727 61.300 -0.006 0.000 1.374 84 I CB -1.067 36.941 38.000 0.014 0.000 1.057 84 I HN 0.214 nan 8.210 nan 0.000 0.413 85 A N 1.341 124.162 122.820 0.000 0.000 1.972 85 A HA -0.214 1.977 4.320 -3.548 0.000 0.219 85 A C 2.506 180.086 177.584 -0.006 0.000 1.169 85 A CA 2.136 54.174 52.037 0.001 0.000 0.635 85 A CB -0.759 18.243 19.000 0.004 0.000 0.810 85 A HN 0.573 nan 8.150 nan 0.000 0.446 86 S N -0.276 115.416 115.700 -0.014 0.000 2.474 86 S HA -0.021 2.320 4.470 -3.548 0.000 0.235 86 S C 1.634 176.222 174.600 -0.020 0.000 0.997 86 S CA 1.213 59.402 58.200 -0.019 0.000 0.949 86 S CB -0.602 62.581 63.200 -0.028 0.000 0.766 86 S HN 0.464 nan 8.310 nan 0.000 0.517 87 L N 1.072 122.284 121.223 -0.018 0.000 2.478 87 L HA 0.140 2.351 4.340 -3.548 0.000 0.223 87 L C 0.154 177.018 176.870 -0.010 0.000 1.140 87 L CA 0.221 55.051 54.840 -0.017 0.000 0.842 87 L CB -1.107 40.943 42.059 -0.015 0.000 0.953 87 L HN 0.362 nan 8.230 nan 0.000 0.452 88 N N -0.211 118.485 118.700 -0.006 0.000 2.688 88 N HA -0.231 2.380 4.740 -3.548 0.000 0.258 88 N C 0.754 176.264 175.510 -0.000 0.000 1.016 88 N CA -0.068 52.980 53.050 -0.003 0.000 0.747 88 N CB -1.165 37.319 38.487 -0.006 0.000 0.895 88 N HN 0.301 nan 8.380 nan 0.000 0.543 89 L N -0.217 121.009 121.223 0.003 0.000 2.275 89 L HA -0.041 2.170 4.340 -3.548 0.000 0.215 89 L C 2.064 178.938 176.870 0.006 0.000 1.119 89 L CA 1.029 55.873 54.840 0.007 0.000 0.790 89 L CB -0.800 41.267 42.059 0.013 0.000 0.919 89 L HN 0.700 nan 8.230 nan 0.000 0.443 90 G N 0.595 109.398 108.800 0.006 0.000 2.596 90 G HA2 -0.475 1.357 3.960 -3.548 0.000 0.295 90 G HA3 -0.475 1.357 3.960 -3.548 0.000 0.295 90 G C 0.747 175.650 174.900 0.005 0.000 1.240 90 G CA 0.744 45.847 45.100 0.005 0.000 0.985 90 G HN 0.378 nan 8.290 nan 0.000 0.555 91 E N -0.093 120.108 120.200 0.003 0.000 2.130 91 E HA -0.221 2.001 4.350 -3.548 0.000 0.196 91 E C 2.557 179.157 176.600 0.001 0.000 0.998 91 E CA 1.667 58.068 56.400 0.001 0.000 0.806 91 E CB -0.121 29.578 29.700 -0.001 0.000 0.738 91 E HN 0.494 nan 8.360 nan 0.000 0.459 92 R N -0.085 120.417 120.500 0.002 0.000 2.091 92 R HA -0.176 2.036 4.340 -3.548 0.000 0.238 92 R C 2.418 178.722 176.300 0.006 0.000 1.136 92 R CA 1.440 57.542 56.100 0.003 0.000 0.959 92 R CB -0.215 30.088 30.300 0.005 0.000 0.856 92 R HN 0.249 nan 8.270 nan 0.000 0.437 93 L N 0.708 121.939 121.223 0.013 0.000 2.068 93 L HA -0.079 2.132 4.340 -3.548 0.000 0.204 93 L C 2.399 179.281 176.870 0.019 0.000 1.076 93 L CA 1.781 56.634 54.840 0.022 0.000 0.753 93 L CB -0.628 41.449 42.059 0.029 0.000 0.910 93 L HN 0.247 nan 8.230 nan 0.000 0.439 94 Q N -0.366 119.442 119.800 0.014 0.000 2.135 94 Q HA -0.221 1.990 4.340 -3.548 0.000 0.204 94 Q C 2.002 178.004 176.000 0.003 0.000 0.981 94 Q CA 1.863 57.672 55.803 0.011 0.000 0.856 94 Q CB -0.265 28.477 28.738 0.007 0.000 0.902 94 Q HN 0.624 nan 8.270 nan 0.000 0.425 95 A N 0.389 123.208 122.820 -0.003 0.000 2.125 95 A HA -0.088 2.103 4.320 -3.548 0.000 0.219 95 A C 1.770 179.341 177.584 -0.021 0.000 1.156 95 A CA 0.832 52.861 52.037 -0.013 0.000 0.671 95 A CB -0.441 18.550 19.000 -0.016 0.000 0.794 95 A HN 0.481 nan 8.150 nan 0.000 0.459 96 L N -1.135 120.080 121.223 -0.013 0.000 2.599 96 L HA 0.220 2.431 4.340 -3.548 0.000 0.230 96 L C 1.520 178.383 176.870 -0.012 0.000 1.141 96 L CA 0.219 55.046 54.840 -0.022 0.000 0.877 96 L CB -1.105 40.948 42.059 -0.010 0.000 1.009 96 L HN 0.594 nan 8.230 nan 0.000 0.447 97 G N 0.314 109.112 108.800 -0.002 0.000 2.645 97 G HA2 -0.315 1.516 3.960 -3.548 0.000 0.239 97 G HA3 -0.315 1.516 3.960 -3.548 0.000 0.239 97 G C 0.642 175.562 174.900 0.033 0.000 1.331 97 G CA -0.066 45.035 45.100 0.002 0.000 0.890 97 G HN 0.243 nan 8.290 nan 0.000 0.572 98 A N -0.980 121.860 122.820 0.033 0.000 2.167 98 A HA 0.382 2.573 4.320 -3.548 0.000 0.214 98 A C 1.720 179.373 177.584 0.115 0.000 1.151 98 A CA 2.098 54.172 52.037 0.062 0.000 0.735 98 A CB -0.159 18.870 19.000 0.049 0.000 0.802 98 A HN 0.697 nan 8.150 nan 0.000 0.467 99 E N -1.170 119.115 120.200 0.140 0.000 2.676 99 E HA 0.176 2.397 4.350 -3.548 0.000 0.225 99 E C 0.899 177.755 176.600 0.426 0.000 0.944 99 E CA 0.012 56.598 56.400 0.310 0.000 1.156 99 E CB 0.774 30.658 29.700 0.306 0.000 1.117 99 E HN 0.458 nan 8.360 nan 0.000 0.523 100 G N 0.825 109.762 108.800 0.228 0.000 2.547 100 G HA2 0.418 2.249 3.960 -3.548 0.000 0.291 100 G HA3 0.418 2.249 3.960 -3.548 0.000 0.291 100 G C -0.730 174.323 174.900 0.255 0.000 1.211 100 G CA -0.170 45.037 45.100 0.178 0.000 0.950 100 G HN 0.135 nan 8.290 nan 0.000 0.504 101 Y N -2.446 117.991 120.300 0.229 0.000 2.656 101 Y HA 0.679 3.098 4.550 -3.552 0.000 0.334 101 Y C -1.643 174.332 175.900 0.126 0.000 1.179 101 Y CA -1.820 56.380 58.100 0.168 0.000 1.050 101 Y CB 1.486 40.061 38.460 0.192 0.000 1.308 101 Y HN 0.631 nan 8.280 nan 0.000 0.456 102 L N 2.919 124.311 121.223 0.282 0.000 2.362 102 L HA 0.728 2.940 4.340 -3.548 0.000 0.275 102 L C -1.819 175.171 176.870 0.201 0.000 0.998 102 L CA -0.929 54.020 54.840 0.180 0.000 0.820 102 L CB 1.680 43.796 42.059 0.095 0.000 1.270 102 L HN 0.754 nan 8.230 nan 0.000 0.415 103 L N 4.854 126.170 121.223 0.156 0.000 2.305 103 L HA 0.671 2.882 4.340 -3.548 0.000 0.284 103 L C -0.572 176.324 176.870 0.043 0.000 1.013 103 L CA -0.418 54.466 54.840 0.073 0.000 0.819 103 L CB 1.647 43.708 42.059 0.004 0.000 1.227 103 L HN 0.680 nan 8.230 nan 0.000 0.417 104 E N 2.858 123.080 120.200 0.037 0.000 2.321 104 E HA 0.146 2.367 4.350 -3.548 0.000 0.281 104 E C -1.448 175.171 176.600 0.033 0.000 0.910 104 E CA -0.640 55.780 56.400 0.033 0.000 0.770 104 E CB 2.170 31.889 29.700 0.031 0.000 1.225 104 E HN 0.560 nan 8.360 nan 0.000 0.417 105 Q N 2.925 122.749 119.800 0.040 0.000 2.296 105 Q HA 0.294 2.505 4.340 -3.548 0.000 0.262 105 Q C -0.816 175.202 176.000 0.031 0.000 0.981 105 Q CA 0.596 56.428 55.803 0.049 0.000 0.905 105 Q CB 1.236 30.016 28.738 0.070 0.000 1.186 105 Q HN 0.613 nan 8.270 nan 0.000 0.399 106 T N 2.530 117.093 114.554 0.015 0.000 2.630 106 T HA 0.562 2.784 4.350 -3.548 0.000 0.300 106 T C -1.709 172.957 174.700 -0.057 0.000 1.261 106 T CA -0.736 61.354 62.100 -0.016 0.000 1.060 106 T CB 1.031 69.890 68.868 -0.014 0.000 1.670 106 T HN 0.549 nan 8.240 nan 0.000 0.473 107 R N 0.845 121.294 120.500 -0.085 0.000 2.686 107 R HA 0.686 2.897 4.340 -3.548 0.000 0.283 107 R C -1.168 175.067 176.300 -0.108 0.000 0.978 107 R CA -0.630 55.387 56.100 -0.139 0.000 0.897 107 R CB 1.224 31.416 30.300 -0.181 0.000 1.192 107 R HN 0.620 nan 8.270 nan 0.000 0.457 108 I N 2.459 122.958 120.570 -0.119 0.000 2.468 108 I HA 0.184 2.225 4.170 -3.548 0.000 0.285 108 I C -0.307 175.746 176.117 -0.106 0.000 1.039 108 I CA -0.799 60.441 61.300 -0.100 0.000 1.074 108 I CB 1.665 39.604 38.000 -0.101 0.000 1.228 108 I HN 0.511 nan 8.210 nan 0.000 0.436 109 N N 6.438 125.085 118.700 -0.089 0.000 2.727 109 N HA -0.207 2.405 4.740 -3.548 0.000 0.249 109 N C 0.304 175.759 175.510 -0.093 0.000 1.048 109 N CA 0.817 53.820 53.050 -0.079 0.000 0.714 109 N CB -0.646 37.799 38.487 -0.071 0.000 0.959 109 N HN 0.746 nan 8.380 nan 0.000 0.544 110 K N -4.151 116.178 120.400 -0.118 0.000 3.547 110 K HA -0.249 1.942 4.320 -3.548 0.000 0.309 110 K C 0.201 176.675 176.600 -0.210 0.000 1.324 110 K CA 1.214 57.410 56.287 -0.151 0.000 0.988 110 K CB -0.981 31.460 32.500 -0.099 0.000 1.261 110 K HN 0.375 nan 8.250 nan 0.000 0.444 111 R N 1.367 121.758 120.500 -0.182 0.000 2.441 111 R HA 0.246 2.457 4.340 -3.548 0.000 0.284 111 R C -0.151 175.983 176.300 -0.277 0.000 1.070 111 R CA -0.184 55.805 56.100 -0.186 0.000 1.047 111 R CB 0.263 30.494 30.300 -0.115 0.000 1.016 111 R HN 0.147 nan 8.270 nan 0.000 0.477 112 H N 0.768 119.629 119.070 -0.348 0.000 2.767 112 H HA 0.328 2.755 4.556 -3.548 0.000 0.316 112 H C 0.084 175.268 175.328 -0.240 0.000 1.059 112 H CA 0.001 55.820 56.048 -0.382 0.000 1.461 112 H CB 0.549 29.800 29.762 -0.852 0.000 1.475 112 H HN 0.371 nan 8.280 nan 0.000 0.531 113 V N 0.870 120.772 119.914 -0.019 0.000 3.159 113 V HA 0.701 2.692 4.120 -3.548 0.000 0.308 113 V C -0.940 175.181 176.094 0.045 0.000 1.190 113 V CA -0.965 61.345 62.300 0.017 0.000 1.037 113 V CB 2.245 34.055 31.823 -0.022 0.000 1.060 113 V HN 0.439 nan 8.190 nan 0.000 0.437 114 V N 3.515 123.461 119.914 0.054 0.000 2.487 114 V HA 0.565 2.557 4.120 -3.548 0.000 0.298 114 V C -0.044 176.068 176.094 0.030 0.000 1.028 114 V CA -0.360 61.968 62.300 0.048 0.000 0.860 114 V CB 1.449 33.307 31.823 0.059 0.000 0.991 114 V HN 0.995 nan 8.190 nan 0.000 0.427 115 I N 2.633 123.217 120.570 0.024 0.000 2.498 115 I HA 0.782 2.823 4.170 -3.548 0.000 0.301 115 I C -0.726 175.407 176.117 0.027 0.000 0.984 115 I CA -0.737 60.576 61.300 0.022 0.000 1.204 115 I CB 1.994 40.005 38.000 0.019 0.000 1.362 115 I HN 0.261 nan 8.210 nan 0.000 0.471 116 V N 5.387 125.315 119.914 0.024 0.000 2.304 116 V HA 0.683 2.674 4.120 -3.548 0.000 0.278 116 V C 0.403 176.529 176.094 0.054 0.000 1.018 116 V CA -0.288 62.028 62.300 0.028 0.000 0.814 116 V CB 0.649 32.459 31.823 -0.022 0.000 1.021 116 V HN 0.931 nan 8.190 nan 0.000 0.440 117 A N 4.040 126.916 122.820 0.093 0.000 2.350 117 A HA 1.042 3.233 4.320 -3.548 0.000 0.324 117 A C -0.089 177.578 177.584 0.138 0.000 1.118 117 A CA 0.016 52.108 52.037 0.091 0.000 0.783 117 A CB 1.806 20.848 19.000 0.070 0.000 1.236 117 A HN 1.345 nan 8.150 nan 0.000 0.457 118 A N 0.970 123.859 122.820 0.115 0.000 2.568 118 A HA 0.656 2.848 4.320 -3.548 0.000 0.291 118 A C 0.068 177.705 177.584 0.090 0.000 1.159 118 A CA -0.581 51.539 52.037 0.138 0.000 0.679 118 A CB 0.485 19.590 19.000 0.176 0.000 1.285 118 A HN 0.636 nan 8.150 nan 0.000 0.428 119 N N 0.014 118.766 118.700 0.088 0.000 2.368 119 N HA 0.033 2.644 4.740 -3.548 0.000 0.176 119 N C 0.684 176.227 175.510 0.055 0.000 1.021 119 N CA 1.438 54.525 53.050 0.061 0.000 0.888 119 N CB 0.186 38.705 38.487 0.054 0.000 0.995 119 N HN 0.792 nan 8.380 nan 0.000 0.437 120 S N -0.360 115.380 115.700 0.066 0.000 2.638 120 S HA 0.383 2.724 4.470 -3.548 0.000 0.302 120 S C 0.225 174.844 174.600 0.031 0.000 1.096 120 S CA -0.747 57.482 58.200 0.048 0.000 0.953 120 S CB 2.296 65.529 63.200 0.056 0.000 1.107 120 S HN -0.209 nan 8.310 nan 0.000 0.503 121 D N 1.042 121.446 120.400 0.006 0.000 2.144 121 D HA -0.105 2.406 4.640 -3.548 0.000 0.199 121 D C 2.147 178.406 176.300 -0.069 0.000 0.984 121 D CA 1.717 55.703 54.000 -0.023 0.000 0.834 121 D CB -0.709 40.073 40.800 -0.029 0.000 0.955 121 D HN 0.536 nan 8.370 nan 0.000 0.465 122 V N -0.986 118.873 119.914 -0.091 0.000 2.515 122 V HA -0.018 1.973 4.120 -3.548 0.000 0.250 122 V C 2.279 178.174 176.094 -0.332 0.000 1.058 122 V CA 1.960 64.101 62.300 -0.264 0.000 1.064 122 V CB -1.375 30.299 31.823 -0.249 0.000 0.675 122 V HN 0.133 nan 8.190 nan 0.000 0.461 123 G N 0.385 109.173 108.800 -0.020 0.000 2.422 123 G HA2 -0.176 1.656 3.960 -3.548 0.000 0.218 123 G HA3 -0.176 1.656 3.960 -3.548 0.000 0.218 123 G C 1.558 176.551 174.900 0.156 0.000 1.146 123 G CA 1.316 46.545 45.100 0.216 0.000 0.769 123 G HN 0.463 nan 8.290 nan 0.000 0.547 124 V N 0.732 120.672 119.914 0.043 0.000 2.343 124 V HA -0.158 1.833 4.120 -3.548 0.000 0.247 124 V C 2.677 178.729 176.094 -0.070 0.000 1.051 124 V CA 1.662 63.960 62.300 -0.003 0.000 1.036 124 V CB -0.516 31.296 31.823 -0.018 0.000 0.654 124 V HN 0.361 nan 8.190 nan 0.000 0.451 125 L N -0.552 120.604 121.223 -0.111 0.000 1.994 125 L HA -0.173 2.039 4.340 -3.548 0.000 0.208 125 L C 2.405 179.317 176.870 0.071 0.000 1.071 125 L CA 2.166 56.948 54.840 -0.096 0.000 0.745 125 L CB -0.852 41.130 42.059 -0.129 0.000 0.892 125 L HN 0.338 nan 8.230 nan 0.000 0.431 126 Y N 0.133 120.515 120.300 0.136 0.000 2.165 126 Y HA -0.075 2.352 4.550 -3.538 0.000 0.286 126 Y C 2.598 178.287 175.900 -0.351 0.000 1.155 126 Y CA 0.937 59.073 58.100 0.060 0.000 1.164 126 Y CB -1.664 36.920 38.460 0.206 0.000 0.978 126 Y HN 0.253 nan 8.280 nan 0.000 0.513 127 G N -1.167 107.326 108.800 -0.512 0.000 2.422 127 G HA2 -0.214 1.617 3.960 -3.548 0.000 0.218 127 G HA3 -0.214 1.617 3.960 -3.548 0.000 0.218 127 G C 1.936 176.596 174.900 -0.401 0.000 1.146 127 G CA 1.186 45.657 45.100 -1.049 0.000 0.769 127 G HN 0.392 nan 8.290 nan 0.000 0.547 128 S N 0.564 116.131 115.700 -0.222 0.000 2.356 128 S HA -0.052 2.289 4.470 -3.548 0.000 0.223 128 S C 1.978 176.482 174.600 -0.159 0.000 1.032 128 S CA 0.936 59.016 58.200 -0.200 0.000 1.005 128 S CB -0.375 62.672 63.200 -0.256 0.000 0.867 128 S HN 0.309 nan 8.310 nan 0.000 0.449 129 F N 1.022 120.944 119.950 -0.048 0.000 2.171 129 F HA -0.086 2.321 4.527 -3.534 0.000 0.300 129 F C 2.295 178.099 175.800 0.006 0.000 1.090 129 F CA 1.403 59.410 58.000 0.010 0.000 1.293 129 F CB -0.745 38.278 39.000 0.039 0.000 1.013 129 F HN 0.389 nan 8.300 nan 0.000 0.486 130 H N -0.587 118.460 119.070 -0.038 0.000 2.357 130 H HA -0.145 2.286 4.556 -3.542 0.000 0.301 130 H C 2.433 177.731 175.328 -0.050 0.000 1.082 130 H CA 0.910 56.906 56.048 -0.086 0.000 1.342 130 H CB -0.078 29.581 29.762 -0.172 0.000 1.389 130 H HN 0.146 nan 8.280 nan 0.000 0.511 131 L N 1.117 122.338 121.223 -0.004 0.000 2.012 131 L HA -0.189 2.022 4.340 -3.548 0.000 0.210 131 L C 2.150 179.009 176.870 -0.018 0.000 1.073 131 L CA 1.489 56.293 54.840 -0.061 0.000 0.748 131 L CB -0.918 41.084 42.059 -0.095 0.000 0.891 131 L HN 0.442 nan 8.230 nan 0.000 0.431 132 L N -0.241 120.984 121.223 0.003 0.000 2.046 132 L HA -0.245 1.966 4.340 -3.548 0.000 0.208 132 L C 2.850 179.781 176.870 0.101 0.000 1.077 132 L CA 1.574 56.428 54.840 0.022 0.000 0.747 132 L CB -0.584 41.514 42.059 0.066 0.000 0.896 132 L HN 0.318 nan 8.230 nan 0.000 0.432 133 R N 0.528 121.129 120.500 0.168 0.000 2.105 133 R HA -0.189 2.023 4.340 -3.548 0.000 0.239 133 R C 2.291 178.676 176.300 0.143 0.000 1.135 133 R CA 1.384 57.584 56.100 0.166 0.000 0.967 133 R CB -0.239 30.153 30.300 0.154 0.000 0.861 133 R HN 0.319 nan 8.270 nan 0.000 0.442 134 L N 0.227 121.531 121.223 0.135 0.000 2.046 134 L HA -0.192 2.019 4.340 -3.548 0.000 0.208 134 L C 2.397 179.353 176.870 0.143 0.000 1.077 134 L CA 1.296 56.213 54.840 0.128 0.000 0.747 134 L CB -0.331 41.772 42.059 0.073 0.000 0.896 134 L HN 0.259 nan 8.230 nan 0.000 0.432 135 I N -0.715 119.842 120.570 -0.023 0.000 2.202 135 I HA -0.288 1.753 4.170 -3.548 0.000 0.242 135 I C 2.575 178.669 176.117 -0.038 0.000 1.091 135 I CA 1.227 62.379 61.300 -0.248 0.000 1.368 135 I CB -0.337 37.354 38.000 -0.516 0.000 1.058 135 I HN 0.301 nan 8.210 nan 0.000 0.410 136 Q N 0.137 119.958 119.800 0.035 0.000 2.181 136 Q HA -0.192 2.019 4.340 -3.548 0.000 0.205 136 Q C 1.801 177.859 176.000 0.097 0.000 0.980 136 Q CA 2.049 57.897 55.803 0.075 0.000 0.862 136 Q CB -0.244 28.553 28.738 0.098 0.000 0.905 136 Q HN 0.624 nan 8.270 nan 0.000 0.429 137 T N -3.255 111.395 114.554 0.160 0.000 3.163 137 T HA 0.131 2.352 4.350 -3.548 0.000 0.252 137 T C 0.095 174.930 174.700 0.225 0.000 1.056 137 T CA -0.283 61.944 62.100 0.212 0.000 0.947 137 T CB 0.322 69.372 68.868 0.304 0.000 1.016 137 T HN 0.213 nan 8.240 nan 0.000 0.554 138 Q N 0.384 120.319 119.800 0.225 0.000 2.487 138 Q HA -0.173 2.039 4.340 -3.548 0.000 0.279 138 Q C -1.017 175.047 176.000 0.107 0.000 1.228 138 Q CA 0.404 56.332 55.803 0.209 0.000 0.873 138 Q CB -2.097 26.696 28.738 0.092 0.000 1.260 138 Q HN 0.772 nan 8.270 nan 0.000 0.471 139 H N -0.565 118.629 119.070 0.207 0.000 2.487 139 H HA 0.586 3.013 4.556 -3.547 0.000 0.333 139 H C 0.347 175.799 175.328 0.206 0.000 1.114 139 H CA 0.401 56.545 56.048 0.161 0.000 1.310 139 H CB 1.131 30.973 29.762 0.134 0.000 1.462 139 H HN 0.386 nan 8.280 nan 0.000 0.516 140 A N 3.195 126.132 122.820 0.196 0.000 2.425 140 A HA 0.176 2.368 4.320 -3.548 0.000 0.249 140 A C 0.757 178.449 177.584 0.179 0.000 1.084 140 A CA -0.356 51.759 52.037 0.130 0.000 0.781 140 A CB 0.155 19.180 19.000 0.042 0.000 1.019 140 A HN 0.868 nan 8.150 nan 0.000 0.490 141 L N 0.232 121.562 121.223 0.179 0.000 2.477 141 L HA 0.120 2.331 4.340 -3.548 0.000 0.220 141 L C 0.809 177.741 176.870 0.103 0.000 1.106 141 L CA 0.080 55.012 54.840 0.154 0.000 0.851 141 L CB -0.256 41.917 42.059 0.190 0.000 0.994 141 L HN 0.736 nan 8.230 nan 0.000 0.462 142 E N 1.624 121.871 120.200 0.079 0.000 2.415 142 E HA -0.034 2.187 4.350 -3.548 0.000 0.263 142 E C 0.301 176.939 176.600 0.062 0.000 0.995 142 E CA 0.279 56.719 56.400 0.066 0.000 0.915 142 E CB 0.245 29.970 29.700 0.043 0.000 0.951 142 E HN -0.034 nan 8.360 nan 0.000 0.449 143 K N 1.696 122.133 120.400 0.062 0.000 3.341 143 K HA -0.231 1.960 4.320 -3.548 0.000 0.305 143 K C -0.123 176.508 176.600 0.050 0.000 1.270 143 K CA 0.372 56.691 56.287 0.052 0.000 0.897 143 K CB -2.089 30.437 32.500 0.044 0.000 1.264 143 K HN 0.531 nan 8.250 nan 0.000 0.468 144 L N 1.332 122.589 121.223 0.057 0.000 2.540 144 L HA 0.136 2.347 4.340 -3.548 0.000 0.276 144 L C 0.210 177.103 176.870 0.038 0.000 1.212 144 L CA 1.046 55.915 54.840 0.049 0.000 0.893 144 L CB 0.760 42.849 42.059 0.049 0.000 1.138 144 L HN 0.208 nan 8.230 nan 0.000 0.491 145 S N 5.730 121.449 115.700 0.033 0.000 2.446 145 S HA 0.607 2.949 4.470 -3.548 0.000 0.230 145 S C -1.466 173.150 174.600 0.028 0.000 1.051 145 S CA -0.709 57.509 58.200 0.029 0.000 1.113 145 S CB -0.010 63.206 63.200 0.027 0.000 1.184 145 S HN 0.758 nan 8.310 nan 0.000 0.435 146 L N 2.590 123.830 121.223 0.028 0.000 2.455 146 L HA 1.010 3.221 4.340 -3.548 0.000 0.264 146 L C -0.651 176.244 176.870 0.042 0.000 0.968 146 L CA -0.435 54.423 54.840 0.031 0.000 0.827 146 L CB 1.719 43.793 42.059 0.024 0.000 1.317 146 L HN 0.426 nan 8.230 nan 0.000 0.407 147 S N 1.593 117.304 115.700 0.019 0.000 2.599 147 S HA 0.955 3.297 4.470 -3.548 0.000 0.294 147 S C -0.491 174.053 174.600 -0.092 0.000 1.094 147 S CA -0.390 57.785 58.200 -0.042 0.000 0.931 147 S CB 1.750 64.928 63.200 -0.036 0.000 1.093 147 S HN 1.193 nan 8.310 nan 0.000 0.488 148 S N -0.170 115.348 115.700 -0.303 0.000 2.550 148 S HA 0.818 3.159 4.470 -3.548 0.000 0.270 148 S C -1.520 172.970 174.600 -0.183 0.000 1.145 148 S CA -0.213 57.889 58.200 -0.164 0.000 0.852 148 S CB 1.338 64.564 63.200 0.043 0.000 1.119 148 S HN 1.769 nan 8.310 nan 0.000 0.465 149 A N 3.593 126.364 122.820 -0.081 0.000 2.515 149 A HA 0.895 3.086 4.320 -3.548 0.000 0.298 149 A C -3.102 174.060 177.584 -0.704 0.000 1.059 149 A CA -1.566 50.318 52.037 -0.256 0.000 0.698 149 A CB 1.488 20.368 19.000 -0.200 0.000 1.289 149 A HN 0.548 nan 8.150 nan 0.000 0.404 150 P HA 0.285 nan 4.420 nan 0.000 0.275 150 P C -0.137 176.752 177.300 -0.685 0.000 1.228 150 P CA -0.150 62.047 63.100 -1.504 0.000 0.786 150 P CB 0.913 31.754 31.700 -1.433 0.000 0.927 151 R N 0.925 121.117 120.500 -0.514 0.000 2.312 151 R HA 0.290 2.502 4.340 -3.548 0.000 0.205 151 R C 0.377 176.584 176.300 -0.156 0.000 0.904 151 R CA 0.183 56.130 56.100 -0.256 0.000 1.052 151 R CB 0.005 30.199 30.300 -0.177 0.000 1.014 151 R HN 0.439 nan 8.270 nan 0.000 0.503 152 L N -0.229 120.874 121.223 -0.199 0.000 2.381 152 L HA 0.302 2.513 4.340 -3.548 0.000 0.268 152 L C 0.686 177.463 176.870 -0.155 0.000 0.997 152 L CA -0.659 54.104 54.840 -0.129 0.000 0.818 152 L CB 2.396 44.398 42.059 -0.095 0.000 1.310 152 L HN -0.151 nan 8.230 nan 0.000 0.416 153 Q N 0.307 120.034 119.800 -0.122 0.000 2.062 153 Q HA 0.056 2.267 4.340 -3.548 0.000 0.196 153 Q C -0.115 175.732 176.000 -0.257 0.000 0.967 153 Q CA 0.966 56.641 55.803 -0.214 0.000 0.832 153 Q CB 0.359 28.930 28.738 -0.278 0.000 0.899 153 Q HN 0.438 nan 8.270 nan 0.000 0.442 154 H N 0.639 119.762 119.070 0.088 0.000 2.623 154 H HA 0.373 2.796 4.556 -3.555 0.000 0.299 154 H C -0.595 174.738 175.328 0.010 0.000 1.052 154 H CA -0.159 55.955 56.048 0.110 0.000 1.231 154 H CB 0.589 30.455 29.762 0.174 0.000 1.389 154 H HN 0.054 nan 8.280 nan 0.000 0.469 155 R N 2.521 123.091 120.500 0.116 0.000 2.335 155 R HA 0.373 2.584 4.340 -3.548 0.000 0.302 155 R C -0.680 175.693 176.300 0.122 0.000 1.147 155 R CA -0.549 55.582 56.100 0.051 0.000 1.111 155 R CB 1.961 32.257 30.300 -0.008 0.000 1.122 155 R HN 0.261 nan 8.270 nan 0.000 0.557 156 V N 3.132 123.118 119.914 0.121 0.000 2.864 156 V HA 0.663 2.654 4.120 -3.548 0.000 0.314 156 V C -0.432 175.707 176.094 0.076 0.000 1.073 156 V CA -0.756 61.590 62.300 0.077 0.000 0.956 156 V CB 2.325 34.072 31.823 -0.127 0.000 1.023 156 V HN 0.409 nan 8.190 nan 0.000 0.435 157 V N 3.326 123.260 119.914 0.033 0.000 2.732 157 V HA 0.767 2.758 4.120 -3.548 0.000 0.310 157 V C -0.584 175.446 176.094 -0.107 0.000 1.053 157 V CA -0.721 61.492 62.300 -0.145 0.000 0.957 157 V CB 1.812 33.535 31.823 -0.167 0.000 1.018 157 V HN 0.896 nan 8.190 nan 0.000 0.452 158 N N 1.271 119.803 118.700 -0.280 0.000 2.284 158 N HA 0.521 3.133 4.740 -3.548 0.000 0.300 158 N C -1.126 174.197 175.510 -0.311 0.000 1.047 158 N CA -0.469 52.499 53.050 -0.136 0.000 0.821 158 N CB 1.305 39.727 38.487 -0.107 0.000 1.337 158 N HN 0.845 nan 8.380 nan 0.000 0.482 159 H N 0.864 119.955 119.070 0.035 0.000 2.539 159 H HA 0.194 2.637 4.556 -3.520 0.000 0.332 159 H C -0.265 175.201 175.328 0.229 0.000 1.031 159 H CA -0.414 55.667 56.048 0.055 0.000 1.206 159 H CB 1.408 31.320 29.762 0.250 0.000 1.446 159 H HN 0.476 nan 8.280 nan 0.000 0.496 160 W N 3.257 124.558 121.300 0.002 0.000 1.694 160 W HA 0.131 2.692 4.660 -3.499 0.000 0.425 160 W C -0.498 175.987 176.519 -0.057 0.000 0.615 160 W CA -0.889 56.418 57.345 -0.064 0.000 2.237 160 W CB -0.994 28.348 29.460 -0.197 0.000 1.478 160 W HN 0.454 nan 8.180 nan 0.000 0.427 161 D N 0.955 121.523 120.400 0.280 0.000 2.232 161 D HA 0.107 2.618 4.640 -3.548 0.000 0.242 161 D C 0.440 176.866 176.300 0.210 0.000 1.093 161 D CA -0.100 54.037 54.000 0.229 0.000 0.845 161 D CB 0.843 41.844 40.800 0.335 0.000 1.124 161 D HN -0.093 nan 8.370 nan 0.000 0.467 162 N N 1.310 120.103 118.700 0.155 0.000 2.493 162 N HA 0.204 2.815 4.740 -3.548 0.000 0.275 162 N C 1.229 176.860 175.510 0.203 0.000 1.186 162 N CA -0.441 52.689 53.050 0.134 0.000 0.978 162 N CB 1.145 39.703 38.487 0.118 0.000 1.184 162 N HN 0.311 nan 8.380 nan 0.000 0.487 163 L N 0.776 122.054 121.223 0.092 0.000 2.291 163 L HA -0.123 2.088 4.340 -3.548 0.000 0.214 163 L C 1.621 178.626 176.870 0.225 0.000 1.120 163 L CA 0.659 55.538 54.840 0.065 0.000 0.799 163 L CB -0.420 41.424 42.059 -0.359 0.000 0.925 163 L HN 0.558 nan 8.230 nan 0.000 0.446 164 N N 1.045 119.845 118.700 0.167 0.000 2.573 164 N HA -0.206 2.405 4.740 -3.548 0.000 0.187 164 N C 0.744 176.382 175.510 0.214 0.000 1.107 164 N CA 0.509 53.667 53.050 0.180 0.000 0.918 164 N CB -0.114 38.447 38.487 0.122 0.000 0.966 164 N HN 0.286 nan 8.380 nan 0.000 0.448 165 R N -2.681 117.972 120.500 0.255 0.000 3.584 165 R HA -0.093 2.119 4.340 -3.548 0.000 0.488 165 R C -0.925 175.448 176.300 0.122 0.000 0.869 165 R CA 0.706 56.928 56.100 0.204 0.000 1.325 165 R CB -2.277 28.122 30.300 0.165 0.000 2.015 165 R HN 0.099 nan 8.270 nan 0.000 0.489 166 V N 1.944 121.939 119.914 0.136 0.000 2.583 166 V HA 0.266 2.257 4.120 -3.548 0.000 0.287 166 V C 0.817 176.966 176.094 0.091 0.000 1.051 166 V CA -0.256 62.120 62.300 0.127 0.000 1.010 166 V CB 1.765 33.703 31.823 0.192 0.000 0.988 166 V HN -0.024 nan 8.190 nan 0.000 0.478 167 V N 4.305 124.228 119.914 0.014 0.000 2.394 167 V HA 0.281 2.272 4.120 -3.548 0.000 0.282 167 V C 0.275 176.198 176.094 -0.284 0.000 1.031 167 V CA -0.611 61.633 62.300 -0.092 0.000 0.881 167 V CB 1.441 33.195 31.823 -0.115 0.000 0.982 167 V HN 0.973 nan 8.190 nan 0.000 0.451 168 E N 5.794 125.688 120.200 -0.510 0.000 2.257 168 E HA 0.192 2.414 4.350 -3.548 0.000 0.278 168 E C -0.075 176.167 176.600 -0.597 0.000 1.049 168 E CA -0.509 55.204 56.400 -1.145 0.000 0.876 168 E CB 0.187 29.151 29.700 -1.227 0.000 1.035 168 E HN 0.505 nan 8.360 nan 0.000 0.419 169 R N 1.883 122.002 120.500 -0.635 0.000 3.267 169 R HA -0.141 2.071 4.340 -3.548 0.000 0.254 169 R C -0.559 175.140 176.300 -1.001 0.000 0.993 169 R CA 0.912 56.658 56.100 -0.589 0.000 0.670 169 R CB -2.507 27.713 30.300 -0.133 0.000 1.125 169 R HN 0.609 nan 8.270 nan 0.000 0.434 170 G N 0.115 108.276 108.800 -1.065 0.000 2.605 170 G HA2 0.547 2.378 3.960 -3.548 0.000 0.304 170 G HA3 0.547 2.378 3.960 -3.548 0.000 0.304 170 G C -0.202 174.233 174.900 -0.776 0.000 1.333 170 G CA -0.562 44.074 45.100 -0.774 0.000 0.973 170 G HN 0.218 nan 8.290 nan 0.000 0.507 171 Y N 1.292 121.546 120.300 -0.077 0.000 2.660 171 Y HA 0.469 2.885 4.550 -3.557 0.000 0.254 171 Y C 1.451 177.385 175.900 0.057 0.000 1.176 171 Y CA -0.274 57.816 58.100 -0.016 0.000 1.195 171 Y CB 1.030 39.491 38.460 0.002 0.000 1.190 171 Y HN 0.641 nan 8.280 nan 0.000 0.535 172 A N -0.381 122.493 122.820 0.091 0.000 2.605 172 A HA 0.687 2.878 4.320 -3.548 0.000 0.292 172 A C 1.018 178.635 177.584 0.055 0.000 1.055 172 A CA 0.203 52.307 52.037 0.113 0.000 0.969 172 A CB -0.364 18.720 19.000 0.140 0.000 1.236 172 A HN 0.515 nan 8.150 nan 0.000 0.534 173 G N -0.678 108.139 108.800 0.029 0.000 2.483 173 G HA2 -0.001 1.831 3.960 -3.548 0.000 0.521 173 G HA3 -0.001 1.831 3.960 -3.548 0.000 0.521 173 G C -0.473 174.412 174.900 -0.025 0.000 1.278 173 G CA -0.575 44.528 45.100 0.004 0.000 0.965 173 G HN 0.605 nan 8.290 nan 0.000 0.504 174 L N 0.356 121.559 121.223 -0.032 0.000 2.472 174 L HA 0.494 2.705 4.340 -3.548 0.000 0.260 174 L C 1.731 178.537 176.870 -0.107 0.000 1.209 174 L CA 0.150 54.967 54.840 -0.039 0.000 0.817 174 L CB 0.986 43.032 42.059 -0.022 0.000 1.106 174 L HN 0.807 nan 8.230 nan 0.000 0.479 175 S N 0.312 115.945 115.700 -0.111 0.000 2.558 175 S HA 0.031 2.372 4.470 -3.548 0.000 0.293 175 S C 1.182 175.516 174.600 -0.443 0.000 1.292 175 S CA -0.424 57.615 58.200 -0.268 0.000 1.063 175 S CB 0.288 63.416 63.200 -0.120 0.000 0.831 175 S HN 0.503 nan 8.310 nan 0.000 0.499 176 L N 3.433 124.163 121.223 -0.822 0.000 2.265 176 L HA -0.028 2.184 4.340 -3.548 0.000 0.215 176 L C 0.463 177.034 176.870 -0.499 0.000 1.117 176 L CA 0.649 55.023 54.840 -0.777 0.000 0.782 176 L CB -0.216 41.162 42.059 -1.134 0.000 0.914 176 L HN 0.694 nan 8.230 nan 0.000 0.441 177 W N 0.029 121.176 121.300 -0.254 0.000 2.387 177 W HA 0.194 2.718 4.660 -3.560 0.000 0.310 177 W C 0.069 176.176 176.519 -0.687 0.000 1.181 177 W CA -1.057 55.912 57.345 -0.626 0.000 1.333 177 W CB 0.121 28.854 29.460 -1.213 0.000 1.286 177 W HN -0.137 nan 8.180 nan 0.000 0.455 178 D N 3.354 123.680 120.400 -0.123 0.000 2.522 178 D HA 0.105 2.616 4.640 -3.548 0.000 0.218 178 D C 0.529 176.841 176.300 0.020 0.000 1.149 178 D CA -0.500 53.487 54.000 -0.020 0.000 0.981 178 D CB 0.019 40.890 40.800 0.118 0.000 1.041 178 D HN 0.385 nan 8.370 nan 0.000 0.518 179 W N 2.011 123.434 121.300 0.204 0.000 2.350 179 W HA -0.034 2.496 4.660 -3.551 0.000 0.289 179 W C 2.434 178.983 176.519 0.050 0.000 1.215 179 W CA 0.561 57.983 57.345 0.129 0.000 1.236 179 W CB -0.120 29.468 29.460 0.214 0.000 1.130 179 W HN 0.461 nan 8.180 nan 0.000 0.541 180 G N -0.299 108.664 108.800 0.271 0.000 2.471 180 G HA2 -0.238 1.593 3.960 -3.548 0.000 0.219 180 G HA3 -0.238 1.593 3.960 -3.548 0.000 0.219 180 G C 1.396 176.372 174.900 0.126 0.000 1.125 180 G CA 1.327 46.525 45.100 0.163 0.000 0.775 180 G HN 0.321 nan 8.290 nan 0.000 0.548 181 S N -0.930 114.862 115.700 0.154 0.000 2.539 181 S HA 0.417 2.759 4.470 -3.548 0.000 0.221 181 S C 0.637 175.346 174.600 0.182 0.000 0.987 181 S CA -0.570 57.729 58.200 0.164 0.000 0.929 181 S CB 0.088 63.419 63.200 0.218 0.000 0.832 181 S HN 0.120 nan 8.310 nan 0.000 0.492 182 L N 2.504 123.821 121.223 0.157 0.000 2.375 182 L HA 0.398 2.609 4.340 -3.548 0.000 0.271 182 L C -1.410 175.501 176.870 0.069 0.000 1.107 182 L CA -2.119 52.791 54.840 0.117 0.000 0.806 182 L CB 1.153 43.273 42.059 0.103 0.000 1.146 182 L HN -0.008 nan 8.230 nan 0.000 0.447 183 P HA 0.032 nan 4.420 nan 0.000 0.249 183 P C 0.329 177.677 177.300 0.079 0.000 1.229 183 P CA 0.506 63.633 63.100 0.044 0.000 0.788 183 P CB 0.208 31.921 31.700 0.021 0.000 1.072 184 N N -0.349 118.412 118.700 0.101 0.000 2.104 184 N HA -0.176 2.435 4.740 -3.548 0.000 0.190 184 N C 0.421 176.049 175.510 0.197 0.000 1.024 184 N CA 0.987 54.110 53.050 0.122 0.000 0.853 184 N CB -0.921 37.628 38.487 0.103 0.000 1.008 184 N HN 0.194 nan 8.380 nan 0.000 0.424 185 Y N 1.662 122.008 120.300 0.076 0.000 2.454 185 Y HA 0.358 2.781 4.550 -3.546 0.000 0.345 185 Y C -0.751 175.242 175.900 0.154 0.000 0.970 185 Y CA -1.389 56.763 58.100 0.086 0.000 1.204 185 Y CB 0.081 38.578 38.460 0.062 0.000 1.122 185 Y HN -0.047 nan 8.280 nan 0.000 0.514 186 L N 7.246 128.422 121.223 -0.078 0.000 2.389 186 L HA 0.421 2.632 4.340 -3.548 0.000 0.265 186 L C 0.676 177.287 176.870 -0.431 0.000 1.167 186 L CA -0.627 54.163 54.840 -0.085 0.000 1.045 186 L CB -0.339 41.746 42.059 0.043 0.000 1.351 186 L HN 0.735 nan 8.230 nan 0.000 0.419 187 A N 3.983 126.272 122.820 -0.886 0.000 2.511 187 A HA 0.267 2.458 4.320 -3.548 0.000 0.242 187 A C -1.296 176.008 177.584 -0.468 0.000 1.069 187 A CA -0.925 50.467 52.037 -1.075 0.000 0.763 187 A CB 0.158 18.390 19.000 -1.280 0.000 1.001 187 A HN 0.455 nan 8.150 nan 0.000 0.498 188 P HA -0.173 nan 4.420 nan 0.000 0.217 188 P C 1.589 178.918 177.300 0.049 0.000 1.148 188 P CA 1.261 64.354 63.100 -0.012 0.000 0.828 188 P CB 0.080 31.803 31.700 0.039 0.000 0.783 189 R N -1.388 119.078 120.500 -0.056 0.000 2.152 189 R HA -0.178 2.033 4.340 -3.548 0.000 0.232 189 R C 1.888 178.379 176.300 0.317 0.000 1.117 189 R CA 1.252 57.428 56.100 0.128 0.000 0.981 189 R CB -0.517 29.758 30.300 -0.042 0.000 0.870 189 R HN 0.174 nan 8.270 nan 0.000 0.451 190 Y N -0.318 120.155 120.300 0.289 0.000 2.224 190 Y HA -0.120 2.300 4.550 -3.550 0.000 0.289 190 Y C 2.454 178.652 175.900 0.496 0.000 1.146 190 Y CA 1.346 59.715 58.100 0.448 0.000 1.182 190 Y CB -0.889 37.741 38.460 0.283 0.000 0.983 190 Y HN 0.019 nan 8.280 nan 0.000 0.524 191 T N -0.277 114.545 114.554 0.448 0.000 2.857 191 T HA -0.133 2.089 4.350 -3.548 0.000 0.266 191 T C 1.373 176.149 174.700 0.127 0.000 1.048 191 T CA 1.497 63.773 62.100 0.293 0.000 1.139 191 T CB -0.295 68.727 68.868 0.256 0.000 0.874 191 T HN 0.296 nan 8.240 nan 0.000 0.455 192 D N 0.285 120.814 120.400 0.214 0.000 2.144 192 D HA -0.083 2.428 4.640 -3.548 0.000 0.199 192 D C 1.698 177.989 176.300 -0.015 0.000 0.984 192 D CA 0.897 54.964 54.000 0.112 0.000 0.834 192 D CB -0.388 40.564 40.800 0.253 0.000 0.955 192 D HN 0.453 nan 8.370 nan 0.000 0.465 193 Y N 1.786 122.164 120.300 0.129 0.000 2.165 193 Y HA -0.224 2.196 4.550 -3.550 0.000 0.286 193 Y C 2.280 178.095 175.900 -0.140 0.000 1.155 193 Y CA 1.905 60.006 58.100 0.001 0.000 1.164 193 Y CB -0.304 38.401 38.460 0.409 0.000 0.978 193 Y HN -0.050 nan 8.280 nan 0.000 0.513 194 A N 0.642 123.422 122.820 -0.066 0.000 1.902 194 A HA -0.181 2.010 4.320 -3.548 0.000 0.217 194 A C 2.291 179.580 177.584 -0.492 0.000 1.181 194 A CA 1.783 53.650 52.037 -0.283 0.000 0.623 194 A CB -0.641 18.320 19.000 -0.065 0.000 0.818 194 A HN 0.555 nan 8.150 nan 0.000 0.443 195 R N -0.606 119.531 120.500 -0.606 0.000 2.081 195 R HA -0.072 2.139 4.340 -3.548 0.000 0.235 195 R C 2.010 178.068 176.300 -0.403 0.000 1.131 195 R CA 1.646 57.511 56.100 -0.392 0.000 0.960 195 R CB -0.527 29.652 30.300 -0.202 0.000 0.856 195 R HN 0.574 nan 8.270 nan 0.000 0.436 196 I N 1.122 121.362 120.570 -0.550 0.000 2.163 196 I HA -0.325 1.717 4.170 -3.548 0.000 0.243 196 I C 1.972 177.817 176.117 -0.452 0.000 1.085 196 I CA 1.283 62.154 61.300 -0.715 0.000 1.347 196 I CB -0.315 37.009 38.000 -1.127 0.000 1.044 196 I HN 0.216 nan 8.210 nan 0.000 0.408 197 N N 0.761 119.221 118.700 -0.399 0.000 2.216 197 N HA -0.065 2.547 4.740 -3.548 0.000 0.183 197 N C 1.904 177.333 175.510 -0.135 0.000 1.017 197 N CA 1.440 54.388 53.050 -0.170 0.000 0.861 197 N CB -0.224 38.141 38.487 -0.202 0.000 0.986 197 N HN 0.324 nan 8.380 nan 0.000 0.428 198 A N 1.130 123.871 122.820 -0.130 0.000 1.972 198 A HA -0.139 2.052 4.320 -3.548 0.000 0.219 198 A C 2.343 179.711 177.584 -0.360 0.000 1.169 198 A CA 1.863 53.926 52.037 0.044 0.000 0.635 198 A CB -0.678 18.540 19.000 0.363 0.000 0.810 198 A HN 0.448 nan 8.150 nan 0.000 0.446 199 S N -0.644 114.482 115.700 -0.956 0.000 2.442 199 S HA -0.044 2.297 4.470 -3.548 0.000 0.236 199 S C 1.311 175.595 174.600 -0.527 0.000 1.007 199 S CA 1.301 58.704 58.200 -1.328 0.000 0.965 199 S CB -0.256 62.417 63.200 -0.877 0.000 0.773 199 S HN 0.287 nan 8.310 nan 0.000 0.504 200 L N 0.718 121.720 121.223 -0.370 0.000 2.640 200 L HA 0.387 2.598 4.340 -3.548 0.000 0.230 200 L C 1.875 178.520 176.870 -0.375 0.000 1.123 200 L CA 1.023 55.626 54.840 -0.394 0.000 0.900 200 L CB -1.388 40.488 42.059 -0.305 0.000 1.146 200 L HN 0.600 nan 8.230 nan 0.000 0.484 201 G N 0.519 109.099 108.800 -0.366 0.000 2.143 201 G HA2 -0.251 1.580 3.960 -3.548 0.000 0.249 201 G HA3 -0.251 1.580 3.960 -3.548 0.000 0.249 201 G C 0.470 175.295 174.900 -0.125 0.000 0.981 201 G CA -0.252 44.550 45.100 -0.497 0.000 0.665 201 G HN 0.188 nan 8.290 nan 0.000 0.528 202 I N 1.849 122.414 120.570 -0.009 0.000 2.598 202 I HA 0.105 2.146 4.170 -3.548 0.000 0.284 202 I C 1.017 177.246 176.117 0.186 0.000 1.140 202 I CA 0.567 61.925 61.300 0.095 0.000 1.420 202 I CB 0.776 38.853 38.000 0.128 0.000 1.387 202 I HN 0.441 nan 8.210 nan 0.000 0.553 203 N N 4.042 122.879 118.700 0.228 0.000 2.238 203 N HA 0.256 2.867 4.740 -3.548 0.000 0.235 203 N C -0.093 175.625 175.510 0.348 0.000 1.209 203 N CA -0.329 52.908 53.050 0.312 0.000 0.879 203 N CB 1.075 39.763 38.487 0.336 0.000 1.136 203 N HN 0.593 nan 8.380 nan 0.000 0.517 204 G N -1.423 107.570 108.800 0.323 0.000 2.703 204 G HA2 0.510 2.341 3.960 -3.548 0.000 0.294 204 G HA3 0.510 2.341 3.960 -3.548 0.000 0.294 204 G C -1.969 173.125 174.900 0.323 0.000 1.451 204 G CA -0.531 44.829 45.100 0.433 0.000 0.869 204 G HN 0.072 nan 8.290 nan 0.000 0.516 205 T N -0.467 114.339 114.554 0.419 0.000 2.971 205 T HA 0.527 2.748 4.350 -3.548 0.000 0.304 205 T C -1.119 173.830 174.700 0.414 0.000 1.038 205 T CA -0.325 62.002 62.100 0.378 0.000 1.007 205 T CB 1.562 70.674 68.868 0.407 0.000 1.055 205 T HN 0.696 nan 8.240 nan 0.000 0.451 206 V N 7.779 127.904 119.914 0.351 0.000 2.333 206 V HA 0.332 2.323 4.120 -3.548 0.000 0.274 206 V C 1.477 177.806 176.094 0.391 0.000 1.028 206 V CA -0.505 62.005 62.300 0.350 0.000 0.851 206 V CB 0.633 32.628 31.823 0.286 0.000 1.000 206 V HN 0.900 nan 8.190 nan 0.000 0.456 207 I N 1.614 122.364 120.570 0.300 0.000 3.728 207 I HA 0.257 2.298 4.170 -3.548 0.000 0.307 207 I C 0.679 177.041 176.117 0.408 0.000 1.276 207 I CA 0.196 61.644 61.300 0.246 0.000 1.285 207 I CB -0.043 37.816 38.000 -0.236 0.000 1.038 207 I HN 0.667 nan 8.210 nan 0.000 0.445 208 N N 1.203 120.110 118.700 0.344 0.000 2.265 208 N HA 0.199 2.810 4.740 -3.548 0.000 0.300 208 N C -1.061 174.603 175.510 0.258 0.000 1.148 208 N CA -0.708 52.525 53.050 0.305 0.000 0.772 208 N CB 0.806 39.412 38.487 0.199 0.000 1.434 208 N HN -0.053 nan 8.380 nan 0.000 0.481 209 N N 0.143 118.959 118.700 0.194 0.000 2.412 209 N HA -0.040 2.571 4.740 -3.548 0.000 0.254 209 N C 1.543 177.062 175.510 0.015 0.000 1.232 209 N CA -0.108 53.004 53.050 0.103 0.000 0.880 209 N CB 0.907 39.400 38.487 0.009 0.000 1.076 209 N HN 0.496 nan 8.380 nan 0.000 0.458 210 V N 0.662 120.519 119.914 -0.095 0.000 2.594 210 V HA -0.058 1.933 4.120 -3.548 0.000 0.253 210 V C 0.530 176.542 176.094 -0.136 0.000 1.069 210 V CA 1.063 63.290 62.300 -0.122 0.000 1.082 210 V CB -0.562 31.139 31.823 -0.203 0.000 0.680 210 V HN 0.502 nan 8.190 nan 0.000 0.469 211 N N 2.690 121.284 118.700 -0.177 0.000 2.549 211 N HA 0.494 3.105 4.740 -3.548 0.000 0.267 211 N C 0.048 175.527 175.510 -0.053 0.000 1.182 211 N CA 0.750 53.739 53.050 -0.101 0.000 1.019 211 N CB 0.773 39.196 38.487 -0.105 0.000 1.380 211 N HN 0.704 nan 8.380 nan 0.000 0.505 212 A N 1.187 123.988 122.820 -0.033 0.000 2.331 212 A HA 0.171 2.362 4.320 -3.548 0.000 0.283 212 A C 0.201 177.769 177.584 -0.028 0.000 1.142 212 A CA -0.566 51.460 52.037 -0.018 0.000 0.812 212 A CB 0.598 19.599 19.000 0.001 0.000 1.074 212 A HN 0.385 nan 8.150 nan 0.000 0.497 213 D N 3.340 123.704 120.400 -0.060 0.000 2.274 213 D HA 0.278 2.790 4.640 -3.548 0.000 0.239 213 D C -1.510 174.721 176.300 -0.116 0.000 1.104 213 D CA -1.723 52.210 54.000 -0.111 0.000 0.840 213 D CB 1.542 42.232 40.800 -0.182 0.000 1.100 213 D HN 0.253 nan 8.370 nan 0.000 0.477 214 P HA -0.091 nan 4.420 nan 0.000 0.225 214 P C 1.049 178.320 177.300 -0.049 0.000 1.148 214 P CA 0.481 63.571 63.100 -0.017 0.000 0.779 214 P CB 0.455 32.115 31.700 -0.067 0.000 0.780 215 R N 0.357 120.715 120.500 -0.237 0.000 2.200 215 R HA -0.068 2.143 4.340 -3.548 0.000 0.234 215 R C 2.246 178.380 176.300 -0.277 0.000 1.127 215 R CA 1.447 57.367 56.100 -0.300 0.000 0.989 215 R CB -0.988 28.982 30.300 -0.551 0.000 0.869 215 R HN 0.225 nan 8.270 nan 0.000 0.459 216 V N -1.408 118.321 119.914 -0.308 0.000 2.867 216 V HA -0.107 1.884 4.120 -3.548 0.000 0.260 216 V C 1.481 177.558 176.094 -0.029 0.000 1.099 216 V CA 1.422 63.589 62.300 -0.223 0.000 1.122 216 V CB -0.350 31.376 31.823 -0.162 0.000 0.708 216 V HN 0.128 nan 8.190 nan 0.000 0.490 217 L N 1.526 122.796 121.223 0.078 0.000 2.592 217 L HA 0.328 2.539 4.340 -3.548 0.000 0.227 217 L C 1.303 178.230 176.870 0.095 0.000 1.127 217 L CA 0.846 55.720 54.840 0.056 0.000 0.884 217 L CB -1.204 40.879 42.059 0.040 0.000 1.065 217 L HN 0.706 nan 8.230 nan 0.000 0.457 218 S N -1.876 113.981 115.700 0.263 0.000 2.601 218 S HA 0.109 2.450 4.470 -3.548 0.000 0.271 218 S C 0.975 175.619 174.600 0.073 0.000 1.305 218 S CA -0.437 57.931 58.200 0.280 0.000 1.022 218 S CB 1.726 65.115 63.200 0.314 0.000 0.940 218 S HN 0.193 nan 8.310 nan 0.000 0.525 219 D N 0.631 121.061 120.400 0.049 0.000 2.149 219 D HA -0.214 2.297 4.640 -3.548 0.000 0.198 219 D C 2.023 178.267 176.300 -0.094 0.000 0.990 219 D CA 1.809 55.792 54.000 -0.028 0.000 0.839 219 D CB -0.100 40.744 40.800 0.074 0.000 0.948 219 D HN 0.776 nan 8.370 nan 0.000 0.460 220 Q N -0.993 118.789 119.800 -0.029 0.000 2.077 220 Q HA -0.217 1.995 4.340 -3.548 0.000 0.206 220 Q C 1.715 177.552 176.000 -0.272 0.000 0.989 220 Q CA 1.552 57.280 55.803 -0.126 0.000 0.853 220 Q CB -0.222 28.460 28.738 -0.094 0.000 0.907 220 Q HN 0.396 nan 8.270 nan 0.000 0.418 221 F N -0.012 119.836 119.950 -0.169 0.000 2.335 221 F HA -0.016 2.382 4.527 -3.548 0.000 0.296 221 F C 1.988 177.633 175.800 -0.257 0.000 1.091 221 F CA 0.505 58.365 58.000 -0.232 0.000 1.399 221 F CB 0.038 38.842 39.000 -0.327 0.000 1.067 221 F HN 0.054 nan 8.300 nan 0.000 0.520 222 L N -0.368 120.722 121.223 -0.222 0.000 2.131 222 L HA -0.253 1.958 4.340 -3.548 0.000 0.210 222 L C 2.330 178.819 176.870 -0.635 0.000 1.092 222 L CA 1.327 55.869 54.840 -0.497 0.000 0.759 222 L CB -0.688 40.897 42.059 -0.790 0.000 0.903 222 L HN 0.214 nan 8.230 nan 0.000 0.435 223 Q N -0.040 119.421 119.800 -0.566 0.000 2.124 223 Q HA -0.216 1.995 4.340 -3.548 0.000 0.202 223 Q C 2.185 178.107 176.000 -0.130 0.000 0.977 223 Q CA 1.414 57.044 55.803 -0.288 0.000 0.850 223 Q CB -0.016 28.652 28.738 -0.117 0.000 0.901 223 Q HN 0.507 nan 8.270 nan 0.000 0.429 224 K N 0.409 120.752 120.400 -0.094 0.000 2.031 224 K HA -0.071 2.121 4.320 -3.548 0.000 0.205 224 K C 2.015 178.641 176.600 0.043 0.000 1.049 224 K CA 1.021 57.331 56.287 0.038 0.000 0.939 224 K CB -0.071 32.556 32.500 0.211 0.000 0.717 224 K HN 0.156 nan 8.250 nan 0.000 0.438 225 I N 1.393 122.001 120.570 0.064 0.000 2.286 225 I HA -0.253 1.788 4.170 -3.548 0.000 0.248 225 I C 2.487 178.533 176.117 -0.117 0.000 1.115 225 I CA 0.924 62.228 61.300 0.008 0.000 1.392 225 I CB -0.341 37.682 38.000 0.038 0.000 1.065 225 I HN 0.151 nan 8.210 nan 0.000 0.418 226 A N 0.710 123.465 122.820 -0.108 0.000 1.972 226 A HA -0.130 2.062 4.320 -3.548 0.000 0.219 226 A C 2.544 180.070 177.584 -0.096 0.000 1.169 226 A CA 1.707 53.704 52.037 -0.067 0.000 0.635 226 A CB -0.687 18.325 19.000 0.020 0.000 0.810 226 A HN 0.423 nan 8.150 nan 0.000 0.446 227 A N -0.112 122.638 122.820 -0.117 0.000 1.902 227 A HA -0.022 2.170 4.320 -3.548 0.000 0.217 227 A C 2.153 179.561 177.584 -0.294 0.000 1.181 227 A CA 1.432 53.386 52.037 -0.138 0.000 0.623 227 A CB -0.576 18.368 19.000 -0.092 0.000 0.818 227 A HN 0.471 nan 8.150 nan 0.000 0.443 228 L N -0.749 120.183 121.223 -0.485 0.000 2.017 228 L HA -0.207 2.004 4.340 -3.548 0.000 0.208 228 L C 3.117 179.367 176.870 -1.033 0.000 1.073 228 L CA 1.141 55.415 54.840 -0.943 0.000 0.745 228 L CB -0.635 40.775 42.059 -1.083 0.000 0.894 228 L HN 0.435 nan 8.230 nan 0.000 0.432 229 A N -0.102 122.396 122.820 -0.537 0.000 1.940 229 A HA -0.241 1.950 4.320 -3.548 0.000 0.219 229 A C 1.908 179.422 177.584 -0.116 0.000 1.176 229 A CA 2.065 53.954 52.037 -0.246 0.000 0.631 229 A CB -0.528 18.439 19.000 -0.055 0.000 0.814 229 A HN 0.376 nan 8.150 nan 0.000 0.446 230 D N 0.054 120.387 120.400 -0.113 0.000 2.144 230 D HA -0.036 2.475 4.640 -3.548 0.000 0.199 230 D C 2.202 178.526 176.300 0.039 0.000 0.984 230 D CA 1.483 55.477 54.000 -0.011 0.000 0.834 230 D CB -0.444 40.352 40.800 -0.007 0.000 0.955 230 D HN 0.435 nan 8.370 nan 0.000 0.465 231 A N 0.318 123.117 122.820 -0.035 0.000 1.969 231 A HA -0.137 2.054 4.320 -3.548 0.000 0.218 231 A C 1.773 179.613 177.584 0.427 0.000 1.169 231 A CA 0.907 53.033 52.037 0.149 0.000 0.635 231 A CB -0.632 18.441 19.000 0.121 0.000 0.810 231 A HN 0.113 nan 8.150 nan 0.000 0.445 232 F N -0.474 119.613 119.950 0.228 0.000 2.416 232 F HA 0.122 2.528 4.527 -3.535 0.000 0.296 232 F C 2.185 178.162 175.800 0.294 0.000 1.099 232 F CA 0.406 58.580 58.000 0.291 0.000 1.427 232 F CB -0.975 38.167 39.000 0.238 0.000 1.079 232 F HN 0.243 nan 8.300 nan 0.000 0.536 233 R N 1.024 121.748 120.500 0.374 0.000 2.096 233 R HA -0.158 2.054 4.340 -3.548 0.000 0.240 233 R C -0.722 175.694 176.300 0.194 0.000 1.139 233 R CA 1.884 58.134 56.100 0.249 0.000 0.952 233 R CB -1.427 28.968 30.300 0.159 0.000 0.854 233 R HN 0.120 nan 8.270 nan 0.000 0.436 234 P HA -0.121 nan 4.420 nan 0.000 0.225 234 P C 0.086 177.291 177.300 -0.158 0.000 1.148 234 P CA 1.277 64.355 63.100 -0.038 0.000 0.779 234 P CB -0.051 31.573 31.700 -0.126 0.000 0.780 235 Y N -0.706 119.705 120.300 0.184 0.000 2.470 235 Y HA 0.378 2.800 4.550 -3.547 0.000 0.284 235 Y C 1.822 177.838 175.900 0.193 0.000 1.188 235 Y CA 0.476 58.693 58.100 0.195 0.000 1.269 235 Y CB -0.503 38.093 38.460 0.228 0.000 1.094 235 Y HN 0.029 nan 8.280 nan 0.000 0.518 236 G N 0.891 109.841 108.800 0.251 0.000 2.143 236 G HA2 -0.305 1.526 3.960 -3.548 0.000 0.248 236 G HA3 -0.305 1.526 3.960 -3.548 0.000 0.248 236 G C -0.012 175.074 174.900 0.309 0.000 0.991 236 G CA 0.066 45.309 45.100 0.238 0.000 0.689 236 G HN 0.348 nan 8.290 nan 0.000 0.522 237 I N 0.884 121.655 120.570 0.334 0.000 2.312 237 I HA 0.313 2.354 4.170 -3.548 0.000 0.290 237 I C 0.638 176.959 176.117 0.340 0.000 1.008 237 I CA -0.622 60.876 61.300 0.330 0.000 1.226 237 I CB 1.239 39.400 38.000 0.268 0.000 1.371 237 I HN -0.062 nan 8.210 nan 0.000 0.468 238 K N 5.404 125.993 120.400 0.314 0.000 2.185 238 K HA 0.415 2.607 4.320 -3.548 0.000 0.271 238 K C -0.348 176.370 176.600 0.197 0.000 1.013 238 K CA -0.822 55.581 56.287 0.192 0.000 0.943 238 K CB 1.268 33.810 32.500 0.069 0.000 0.998 238 K HN 0.370 nan 8.250 nan 0.000 0.468 239 M N 2.983 122.597 119.600 0.024 0.000 2.216 239 M HA 0.244 2.595 4.480 -3.548 0.000 0.356 239 M C -1.638 174.401 176.300 -0.436 0.000 1.205 239 M CA 0.194 55.514 55.300 0.034 0.000 1.122 239 M CB 0.317 32.984 32.600 0.111 0.000 1.571 239 M HN 0.397 nan 8.290 nan 0.000 0.464 240 Y N 4.189 124.426 120.300 -0.105 0.000 2.576 240 Y HA 0.753 3.184 4.550 -3.533 0.000 0.346 240 Y C -1.055 174.917 175.900 0.119 0.000 1.018 240 Y CA -0.903 57.078 58.100 -0.199 0.000 1.050 240 Y CB 1.644 40.108 38.460 0.008 0.000 1.280 240 Y HN 0.573 nan 8.280 nan 0.000 0.474 241 L N 1.087 122.571 121.223 0.435 0.000 2.381 241 L HA 0.534 2.745 4.340 -3.548 0.000 0.268 241 L C -0.504 176.571 176.870 0.342 0.000 0.997 241 L CA -0.903 54.182 54.840 0.408 0.000 0.818 241 L CB 2.301 44.627 42.059 0.444 0.000 1.310 241 L HN 0.559 nan 8.230 nan 0.000 0.416 242 S N 2.680 118.519 115.700 0.232 0.000 2.549 242 S HA 0.500 2.841 4.470 -3.548 0.000 0.279 242 S C -0.297 174.340 174.600 0.062 0.000 1.321 242 S CA -0.405 57.883 58.200 0.147 0.000 1.054 242 S CB 0.585 63.855 63.200 0.117 0.000 0.899 242 S HN 0.401 nan 8.310 nan 0.000 0.497 243 I N 0.606 121.171 120.570 -0.008 0.000 2.693 243 I HA 0.599 2.640 4.170 -3.548 0.000 0.303 243 I C -0.440 175.698 176.117 0.035 0.000 1.025 243 I CA -0.967 60.305 61.300 -0.047 0.000 1.086 243 I CB 1.588 39.414 38.000 -0.291 0.000 1.268 243 I HN 0.463 nan 8.210 nan 0.000 0.440 244 N N 3.084 121.851 118.700 0.110 0.000 2.414 244 N HA 0.267 2.879 4.740 -3.548 0.000 0.256 244 N C 0.259 175.929 175.510 0.266 0.000 1.029 244 N CA -0.453 52.683 53.050 0.143 0.000 0.948 244 N CB 0.523 39.067 38.487 0.096 0.000 1.102 244 N HN 0.708 nan 8.380 nan 0.000 0.496 245 F N 3.357 123.375 119.950 0.114 0.000 2.250 245 F HA -0.039 2.358 4.527 -3.549 0.000 0.301 245 F C 1.343 177.294 175.800 0.252 0.000 1.077 245 F CA 1.156 59.264 58.000 0.181 0.000 1.348 245 F CB 0.173 39.241 39.000 0.113 0.000 1.040 245 F HN 0.584 nan 8.300 nan 0.000 0.509 246 N N -0.352 118.497 118.700 0.249 0.000 2.370 246 N HA -0.007 2.604 4.740 -3.548 0.000 0.198 246 N C 1.626 177.092 175.510 -0.074 0.000 1.156 246 N CA 0.483 53.600 53.050 0.111 0.000 0.839 246 N CB -0.159 38.422 38.487 0.157 0.000 0.989 246 N HN 0.114 nan 8.380 nan 0.000 0.468 247 S N 1.122 116.761 115.700 -0.100 0.000 2.387 247 S HA -0.100 2.242 4.470 -3.548 0.000 0.230 247 S C -0.721 173.398 174.600 -0.800 0.000 1.035 247 S CA 1.105 59.135 58.200 -0.283 0.000 1.014 247 S CB -0.838 62.249 63.200 -0.189 0.000 0.836 247 S HN 0.391 nan 8.310 nan 0.000 0.466 248 P HA -0.087 nan 4.420 nan 0.000 0.216 248 P C 1.265 178.155 177.300 -0.683 0.000 1.150 248 P CA 1.203 63.307 63.100 -1.660 0.000 0.837 248 P CB -0.025 30.931 31.700 -1.240 0.000 0.786 249 R N -0.499 119.768 120.500 -0.388 0.000 2.090 249 R HA 0.075 2.286 4.340 -3.548 0.000 0.228 249 R C 2.345 178.571 176.300 -0.124 0.000 1.110 249 R CA 1.287 57.280 56.100 -0.178 0.000 0.973 249 R CB -1.074 29.180 30.300 -0.076 0.000 0.869 249 R HN 0.122 nan 8.270 nan 0.000 0.440 250 A N 0.813 123.555 122.820 -0.129 0.000 1.933 250 A HA -0.121 2.071 4.320 -3.548 0.000 0.218 250 A C 1.617 179.089 177.584 -0.186 0.000 1.175 250 A CA 1.132 53.084 52.037 -0.141 0.000 0.628 250 A CB -0.493 18.415 19.000 -0.153 0.000 0.814 250 A HN 0.223 nan 8.150 nan 0.000 0.444 251 F N -0.241 119.620 119.950 -0.149 0.000 2.802 251 F HA 0.278 2.675 4.527 -3.549 0.000 0.300 251 F C 1.881 177.663 175.800 -0.029 0.000 1.168 251 F CA 0.642 58.620 58.000 -0.037 0.000 1.433 251 F CB -0.213 38.855 39.000 0.113 0.000 1.115 251 F HN 0.365 nan 8.300 nan 0.000 0.582 252 G N 0.325 109.148 108.800 0.040 0.000 2.179 252 G HA2 -0.316 1.515 3.960 -3.548 0.000 0.257 252 G HA3 -0.316 1.515 3.960 -3.548 0.000 0.257 252 G C 0.823 175.747 174.900 0.039 0.000 1.010 252 G CA 0.702 45.813 45.100 0.018 0.000 0.736 252 G HN 0.347 nan 8.290 nan 0.000 0.513 253 D N -1.112 119.311 120.400 0.038 0.000 2.338 253 D HA 0.235 2.747 4.640 -3.548 0.000 0.208 253 D C 1.097 177.393 176.300 -0.006 0.000 0.997 253 D CA 1.039 55.081 54.000 0.069 0.000 0.880 253 D CB 0.761 41.706 40.800 0.243 0.000 0.980 253 D HN 0.383 nan 8.370 nan 0.000 0.509 254 V N 1.713 121.562 119.914 -0.108 0.000 2.971 254 V HA 0.114 2.105 4.120 -3.548 0.000 0.309 254 V C -0.237 175.803 176.094 -0.090 0.000 1.130 254 V CA -0.866 61.375 62.300 -0.098 0.000 0.964 254 V CB 2.420 34.151 31.823 -0.153 0.000 1.029 254 V HN -0.081 nan 8.190 nan 0.000 0.427 255 D N 0.208 120.582 120.400 -0.043 0.000 2.319 255 D HA 0.141 2.653 4.640 -3.548 0.000 0.230 255 D C 0.408 176.712 176.300 0.007 0.000 1.094 255 D CA 0.265 54.256 54.000 -0.015 0.000 0.856 255 D CB 0.637 41.440 40.800 0.005 0.000 0.915 255 D HN 0.547 nan 8.370 nan 0.000 0.517 256 T N -2.215 112.316 114.554 -0.037 0.000 2.802 256 T HA 0.612 2.833 4.350 -3.548 0.000 0.311 256 T C -1.145 173.427 174.700 -0.213 0.000 1.405 256 T CA -0.210 61.866 62.100 -0.039 0.000 1.016 256 T CB 1.371 70.222 68.868 -0.028 0.000 1.352 256 T HN -0.090 nan 8.240 nan 0.000 0.498 257 A N 1.559 124.081 122.820 -0.497 0.000 2.571 257 A HA 0.404 2.595 4.320 -3.548 0.000 0.274 257 A C 0.221 177.382 177.584 -0.704 0.000 1.196 257 A CA -0.070 51.647 52.037 -0.533 0.000 0.957 257 A CB -0.122 18.715 19.000 -0.273 0.000 1.150 257 A HN 0.751 nan 8.150 nan 0.000 0.539 258 D N 1.792 121.689 120.400 -0.840 0.000 2.502 258 D HA 0.030 2.541 4.640 -3.548 0.000 0.249 258 D C -1.125 175.119 176.300 -0.092 0.000 1.188 258 D CA -1.328 52.426 54.000 -0.409 0.000 0.890 258 D CB 1.083 41.790 40.800 -0.156 0.000 1.140 258 D HN 0.175 nan 8.370 nan 0.000 0.505 259 P HA -0.099 nan 4.420 nan 0.000 0.226 259 P C 1.321 178.664 177.300 0.072 0.000 1.153 259 P CA 0.643 63.811 63.100 0.113 0.000 0.777 259 P CB 0.284 32.129 31.700 0.243 0.000 0.794 260 L N -0.881 120.375 121.223 0.055 0.000 2.591 260 L HA 0.150 2.362 4.340 -3.548 0.000 0.228 260 L C 1.150 178.040 176.870 0.034 0.000 1.133 260 L CA 0.148 55.013 54.840 0.042 0.000 0.880 260 L CB -0.473 41.608 42.059 0.038 0.000 1.033 260 L HN -0.037 nan 8.230 nan 0.000 0.450 261 D N 1.117 121.532 120.400 0.024 0.000 2.312 261 D HA 0.085 2.596 4.640 -3.548 0.000 0.252 261 D C -1.703 174.620 176.300 0.038 0.000 1.150 261 D CA -1.716 52.297 54.000 0.021 0.000 0.870 261 D CB 2.105 42.903 40.800 -0.004 0.000 1.153 261 D HN -0.115 nan 8.370 nan 0.000 0.457 262 P HA -0.097 nan 4.420 nan 0.000 0.218 262 P C 1.063 178.400 177.300 0.063 0.000 1.148 262 P CA 1.098 64.227 63.100 0.049 0.000 0.822 262 P CB 0.274 31.996 31.700 0.037 0.000 0.784 263 R N -0.888 119.643 120.500 0.052 0.000 2.115 263 R HA -0.033 2.178 4.340 -3.548 0.000 0.230 263 R C 2.044 178.402 176.300 0.097 0.000 1.111 263 R CA 0.934 57.071 56.100 0.063 0.000 0.976 263 R CB -1.019 29.304 30.300 0.037 0.000 0.870 263 R HN 0.128 nan 8.270 nan 0.000 0.445 264 V N 1.215 121.177 119.914 0.080 0.000 2.323 264 V HA -0.221 1.770 4.120 -3.548 0.000 0.244 264 V C 2.200 178.464 176.094 0.283 0.000 1.041 264 V CA 1.628 64.004 62.300 0.127 0.000 1.025 264 V CB -0.472 31.377 31.823 0.045 0.000 0.656 264 V HN 0.315 nan 8.190 nan 0.000 0.451 265 Q N -0.326 119.598 119.800 0.207 0.000 2.077 265 Q HA -0.329 1.883 4.340 -3.548 0.000 0.206 265 Q C 2.355 178.493 176.000 0.230 0.000 0.989 265 Q CA 2.168 58.103 55.803 0.220 0.000 0.853 265 Q CB -0.271 28.545 28.738 0.130 0.000 0.907 265 Q HN 0.544 nan 8.270 nan 0.000 0.418 266 Q N 0.057 119.957 119.800 0.166 0.000 2.119 266 Q HA -0.186 2.025 4.340 -3.548 0.000 0.201 266 Q C 1.470 177.541 176.000 0.119 0.000 0.972 266 Q CA 1.575 57.450 55.803 0.121 0.000 0.847 266 Q CB -0.492 28.294 28.738 0.081 0.000 0.903 266 Q HN 0.514 nan 8.270 nan 0.000 0.433 267 W N -0.698 120.576 121.300 -0.043 0.000 2.335 267 W HA -0.198 2.332 4.660 -3.550 0.000 0.311 267 W C 1.283 177.675 176.519 -0.211 0.000 1.213 267 W CA 1.858 59.089 57.345 -0.191 0.000 1.274 267 W CB -0.504 28.762 29.460 -0.323 0.000 1.148 267 W HN 0.241 nan 8.180 nan 0.000 0.498 268 W N 0.543 122.005 121.300 0.269 0.000 2.436 268 W HA -0.066 2.466 4.660 -3.547 0.000 0.284 268 W C 2.593 179.140 176.519 0.047 0.000 1.225 268 W CA 1.641 59.096 57.345 0.185 0.000 1.271 268 W CB -0.705 28.913 29.460 0.263 0.000 1.114 268 W HN -0.201 nan 8.180 nan 0.000 0.559 269 K N -0.019 120.527 120.400 0.243 0.000 2.026 269 K HA -0.173 2.019 4.320 -3.548 0.000 0.208 269 K C 1.814 178.444 176.600 0.050 0.000 1.048 269 K CA 2.122 58.506 56.287 0.161 0.000 0.929 269 K CB -0.535 32.040 32.500 0.124 0.000 0.713 269 K HN -0.051 nan 8.250 nan 0.000 0.439 270 T N 0.631 115.135 114.554 -0.083 0.000 2.788 270 T HA -0.133 2.088 4.350 -3.548 0.000 0.268 270 T C 1.847 176.360 174.700 -0.313 0.000 1.044 270 T CA 1.533 63.516 62.100 -0.194 0.000 1.139 270 T CB -0.217 68.485 68.868 -0.276 0.000 0.867 270 T HN 0.229 nan 8.240 nan 0.000 0.454 271 R N 1.556 121.761 120.500 -0.492 0.000 2.075 271 R HA 0.174 2.385 4.340 -3.548 0.000 0.232 271 R C 2.414 178.574 176.300 -0.233 0.000 1.126 271 R CA 1.510 57.269 56.100 -0.567 0.000 0.963 271 R CB -1.011 28.715 30.300 -0.957 0.000 0.858 271 R HN 0.333 nan 8.270 nan 0.000 0.435 272 A N 0.446 123.242 122.820 -0.040 0.000 1.908 272 A HA -0.253 1.938 4.320 -3.548 0.000 0.218 272 A C 2.069 179.513 177.584 -0.235 0.000 1.181 272 A CA 1.789 53.819 52.037 -0.012 0.000 0.627 272 A CB -0.591 18.503 19.000 0.155 0.000 0.818 272 A HN 0.542 nan 8.150 nan 0.000 0.445 273 Q N -0.704 118.998 119.800 -0.164 0.000 2.135 273 Q HA -0.212 1.999 4.340 -3.548 0.000 0.204 273 Q C 2.215 178.107 176.000 -0.180 0.000 0.981 273 Q CA 1.817 57.526 55.803 -0.157 0.000 0.856 273 Q CB -0.209 28.553 28.738 0.040 0.000 0.902 273 Q HN 0.741 nan 8.270 nan 0.000 0.425 274 K N 0.978 121.270 120.400 -0.181 0.000 2.025 274 K HA -0.150 2.042 4.320 -3.548 0.000 0.207 274 K C 1.990 178.526 176.600 -0.107 0.000 1.049 274 K CA 1.101 57.303 56.287 -0.143 0.000 0.933 274 K CB -0.077 32.329 32.500 -0.157 0.000 0.714 274 K HN 0.136 nan 8.250 nan 0.000 0.438 275 I N 0.274 120.706 120.570 -0.229 0.000 2.163 275 I HA -0.308 1.733 4.170 -3.548 0.000 0.243 275 I C 1.925 177.779 176.117 -0.439 0.000 1.085 275 I CA 1.500 62.562 61.300 -0.397 0.000 1.347 275 I CB -0.358 37.191 38.000 -0.752 0.000 1.044 275 I HN 0.197 nan 8.210 nan 0.000 0.408 276 Y N 0.834 120.873 120.300 -0.435 0.000 2.421 276 Y HA -0.207 2.214 4.550 -3.548 0.000 0.292 276 Y C 2.906 178.690 175.900 -0.193 0.000 1.136 276 Y CA 1.345 59.228 58.100 -0.362 0.000 1.255 276 Y CB -0.462 37.575 38.460 -0.704 0.000 0.991 276 Y HN 0.279 nan 8.280 nan 0.000 0.552 277 S N -1.309 114.330 115.700 -0.103 0.000 2.402 277 S HA -0.209 2.133 4.470 -3.548 0.000 0.229 277 S C 1.619 176.101 174.600 -0.195 0.000 1.021 277 S CA 1.095 59.207 58.200 -0.148 0.000 0.974 277 S CB -0.768 62.290 63.200 -0.237 0.000 0.800 277 S HN 0.462 nan 8.310 nan 0.000 0.484 278 Y N 1.271 121.494 120.300 -0.129 0.000 2.347 278 Y HA 0.460 2.882 4.550 -3.547 0.000 0.294 278 Y C 0.935 176.775 175.900 -0.100 0.000 1.117 278 Y CA 0.155 58.187 58.100 -0.113 0.000 1.184 278 Y CB 0.242 38.616 38.460 -0.143 0.000 1.047 278 Y HN 0.228 nan 8.280 nan 0.000 0.546 279 I N 0.828 121.405 120.570 0.011 0.000 2.623 279 I HA 0.208 2.250 4.170 -3.548 0.000 0.275 279 I C -2.245 173.871 176.117 -0.002 0.000 1.108 279 I CA -1.635 59.660 61.300 -0.008 0.000 1.120 279 I CB 1.838 39.824 38.000 -0.023 0.000 1.249 279 I HN -0.149 nan 8.210 nan 0.000 0.500 280 P HA -0.118 nan 4.420 nan 0.000 0.225 280 P C 0.393 177.886 177.300 0.321 0.000 1.148 280 P CA 1.185 64.414 63.100 0.216 0.000 0.779 280 P CB 0.019 31.808 31.700 0.149 0.000 0.780 281 D N -1.964 118.568 120.400 0.220 0.000 2.593 281 D HA 0.020 2.532 4.640 -3.548 0.000 0.241 281 D C -0.045 176.353 176.300 0.162 0.000 1.257 281 D CA -1.077 53.058 54.000 0.225 0.000 0.828 281 D CB -1.241 39.650 40.800 0.151 0.000 1.049 281 D HN 0.017 nan 8.370 nan 0.000 0.490 282 F N 1.602 121.477 119.950 -0.125 0.000 2.629 282 F HA 0.328 2.730 4.527 -3.542 0.000 0.377 282 F C 1.647 177.284 175.800 -0.271 0.000 1.101 282 F CA 0.723 58.501 58.000 -0.371 0.000 1.301 282 F CB 1.181 39.651 39.000 -0.884 0.000 1.062 282 F HN 0.053 nan 8.300 nan 0.000 0.583 283 G N 3.112 111.234 108.800 -1.130 0.000 2.394 283 G HA2 0.371 2.202 3.960 -3.548 0.000 0.215 283 G HA3 0.371 2.202 3.960 -3.548 0.000 0.215 283 G C 0.641 174.953 174.900 -0.980 0.000 1.165 283 G CA 0.613 44.924 45.100 -1.315 0.000 0.784 283 G HN 1.444 nan 8.290 nan 0.000 0.535 284 G N -1.510 106.549 108.800 -1.236 0.000 2.278 284 G HA2 0.285 2.116 3.960 -3.548 0.000 0.265 284 G HA3 0.285 2.116 3.960 -3.548 0.000 0.265 284 G C -1.446 173.396 174.900 -0.097 0.000 1.329 284 G CA -0.839 43.948 45.100 -0.522 0.000 1.017 284 G HN 0.254 nan 8.290 nan 0.000 0.472 285 F N -0.235 119.738 119.950 0.040 0.000 2.522 285 F HA 0.828 3.224 4.527 -3.552 0.000 0.324 285 F C 0.163 176.026 175.800 0.105 0.000 1.077 285 F CA -1.386 56.699 58.000 0.142 0.000 0.944 285 F CB 1.843 40.939 39.000 0.159 0.000 1.175 285 F HN 0.499 nan 8.300 nan 0.000 0.468 286 L N 2.869 124.323 121.223 0.385 0.000 2.317 286 L HA 0.838 3.049 4.340 -3.548 0.000 0.281 286 L C -1.139 175.818 176.870 0.145 0.000 1.024 286 L CA -0.587 54.432 54.840 0.299 0.000 0.810 286 L CB 1.609 43.841 42.059 0.288 0.000 1.240 286 L HN 0.330 nan 8.230 nan 0.000 0.427 287 V N 4.717 124.641 119.914 0.018 0.000 2.525 287 V HA 0.449 2.440 4.120 -3.548 0.000 0.299 287 V C -0.501 175.358 176.094 -0.390 0.000 1.034 287 V CA -0.848 61.321 62.300 -0.218 0.000 0.863 287 V CB 1.457 33.045 31.823 -0.391 0.000 0.999 287 V HN 0.750 nan 8.190 nan 0.000 0.423 288 K N 3.768 124.001 120.400 -0.279 0.000 2.316 288 K HA 0.824 3.015 4.320 -3.548 0.000 0.267 288 K C -0.590 175.843 176.600 -0.278 0.000 1.025 288 K CA -0.257 55.881 56.287 -0.248 0.000 0.896 288 K CB 1.372 33.803 32.500 -0.115 0.000 1.124 288 K HN 0.893 nan 8.250 nan 0.000 0.451 289 A N 3.890 126.484 122.820 -0.378 0.000 2.414 289 A HA 0.429 2.620 4.320 -3.548 0.000 0.306 289 A C -0.776 176.780 177.584 -0.047 0.000 1.054 289 A CA -0.533 51.320 52.037 -0.306 0.000 0.724 289 A CB 0.834 19.429 19.000 -0.675 0.000 1.267 289 A HN 0.923 nan 8.150 nan 0.000 0.418 290 D N 0.120 120.517 120.400 -0.005 0.000 2.723 290 D HA -0.130 2.381 4.640 -3.548 0.000 0.236 290 D C -0.082 176.201 176.300 -0.028 0.000 1.138 290 D CA 1.954 55.976 54.000 0.036 0.000 0.676 290 D CB -1.013 39.894 40.800 0.177 0.000 1.069 290 D HN 0.675 nan 8.370 nan 0.000 0.430 291 S N -0.683 114.985 115.700 -0.055 0.000 2.619 291 S HA 0.365 2.706 4.470 -3.548 0.000 0.280 291 S C 0.070 174.630 174.600 -0.067 0.000 1.150 291 S CA -0.388 57.739 58.200 -0.122 0.000 0.978 291 S CB 1.269 64.426 63.200 -0.072 0.000 1.041 291 S HN 0.177 nan 8.310 nan 0.000 0.485 292 E N 2.660 122.804 120.200 -0.093 0.000 2.440 292 E HA -0.251 1.971 4.350 -3.548 0.000 0.246 292 E C 0.842 177.483 176.600 0.068 0.000 1.165 292 E CA 0.804 57.242 56.400 0.062 0.000 0.726 292 E CB -1.708 28.079 29.700 0.144 0.000 1.271 292 E HN 1.520 nan 8.360 nan 0.000 0.397 293 G N -0.728 108.084 108.800 0.021 0.000 2.176 293 G HA2 -0.330 1.501 3.960 -3.548 0.000 0.253 293 G HA3 -0.330 1.501 3.960 -3.548 0.000 0.253 293 G C 0.161 175.072 174.900 0.018 0.000 0.979 293 G CA 0.375 45.490 45.100 0.025 0.000 0.641 293 G HN 0.209 nan 8.290 nan 0.000 0.530 294 Q N 1.035 120.840 119.800 0.009 0.000 2.327 294 Q HA 0.394 2.605 4.340 -3.548 0.000 0.254 294 Q C -2.049 173.961 176.000 0.017 0.000 0.952 294 Q CA -1.544 54.265 55.803 0.010 0.000 0.884 294 Q CB 1.010 29.740 28.738 -0.013 0.000 1.224 294 Q HN 0.292 nan 8.270 nan 0.000 0.422 295 P HA 0.318 nan 4.420 nan 0.000 0.271 295 P C -0.303 177.048 177.300 0.085 0.000 1.233 295 P CA -0.048 63.120 63.100 0.113 0.000 0.789 295 P CB 0.682 32.513 31.700 0.219 0.000 0.951 296 G N -0.287 108.556 108.800 0.071 0.000 2.441 296 G HA2 0.346 2.177 3.960 -3.548 0.000 0.294 296 G HA3 0.346 2.177 3.960 -3.548 0.000 0.294 296 G C -2.684 172.082 174.900 -0.224 0.000 1.393 296 G CA -0.736 44.191 45.100 -0.287 0.000 0.796 296 G HN 0.101 nan 8.290 nan 0.000 0.494 297 P HA -0.074 nan 4.420 nan 0.000 0.220 297 P C 1.397 178.790 177.300 0.154 0.000 1.148 297 P CA 1.154 64.227 63.100 -0.045 0.000 0.803 297 P CB 0.243 31.885 31.700 -0.097 0.000 0.782 298 Q N -0.637 119.226 119.800 0.105 0.000 2.291 298 Q HA -0.024 2.187 4.340 -3.548 0.000 0.205 298 Q C 2.305 178.296 176.000 -0.015 0.000 0.970 298 Q CA 1.218 57.052 55.803 0.051 0.000 0.876 298 Q CB -0.831 27.917 28.738 0.016 0.000 0.935 298 Q HN 0.283 nan 8.270 nan 0.000 0.455 299 G N -0.488 108.269 108.800 -0.072 0.000 2.535 299 G HA2 -0.199 1.632 3.960 -3.548 0.000 0.218 299 G HA3 -0.199 1.632 3.960 -3.548 0.000 0.218 299 G C 0.442 174.965 174.900 -0.628 0.000 1.122 299 G CA 0.528 45.428 45.100 -0.333 0.000 0.769 299 G HN 0.353 nan 8.290 nan 0.000 0.549 300 Y N -0.814 119.526 120.300 0.067 0.000 2.682 300 Y HA 0.395 2.816 4.550 -3.549 0.000 0.251 300 Y C 1.676 177.605 175.900 0.048 0.000 1.172 300 Y CA -0.661 57.482 58.100 0.072 0.000 1.186 300 Y CB 0.560 39.092 38.460 0.120 0.000 1.216 300 Y HN 0.152 nan 8.280 nan 0.000 0.540 301 G N 0.967 109.823 108.800 0.094 0.000 2.179 301 G HA2 -0.257 1.574 3.960 -3.548 0.000 0.257 301 G HA3 -0.257 1.574 3.960 -3.548 0.000 0.257 301 G C 0.162 175.102 174.900 0.067 0.000 1.010 301 G CA -0.120 45.015 45.100 0.058 0.000 0.736 301 G HN 0.114 nan 8.290 nan 0.000 0.513 302 R N 0.242 120.804 120.500 0.103 0.000 2.828 302 R HA 0.603 2.814 4.340 -3.548 0.000 0.264 302 R C 0.153 176.480 176.300 0.045 0.000 1.022 302 R CA -0.372 55.771 56.100 0.072 0.000 1.021 302 R CB 0.780 31.149 30.300 0.114 0.000 1.163 302 R HN 0.476 nan 8.270 nan 0.000 0.494 303 D N -1.740 118.657 120.400 -0.005 0.000 2.388 303 D HA 0.135 2.646 4.640 -3.548 0.000 0.254 303 D C 0.786 177.099 176.300 0.023 0.000 1.111 303 D CA -0.345 53.638 54.000 -0.029 0.000 0.993 303 D CB 0.501 41.226 40.800 -0.125 0.000 1.118 303 D HN 0.457 nan 8.370 nan 0.000 0.502 304 H N -0.450 118.504 119.070 -0.193 0.000 2.421 304 H HA -0.084 2.342 4.556 -3.549 0.000 0.298 304 H C 1.779 176.836 175.328 -0.452 0.000 1.087 304 H CA 0.880 56.791 56.048 -0.228 0.000 1.330 304 H CB 0.272 30.071 29.762 0.063 0.000 1.388 304 H HN 0.573 nan 8.280 nan 0.000 0.526 305 A N 1.227 123.816 122.820 -0.385 0.000 1.898 305 A HA -0.158 2.033 4.320 -3.548 0.000 0.216 305 A C 2.130 179.507 177.584 -0.344 0.000 1.181 305 A CA 1.304 52.959 52.037 -0.638 0.000 0.620 305 A CB -0.226 18.202 19.000 -0.952 0.000 0.819 305 A HN 0.430 nan 8.150 nan 0.000 0.442 306 E N -0.523 119.537 120.200 -0.233 0.000 2.077 306 E HA -0.123 2.099 4.350 -3.548 0.000 0.193 306 E C 2.102 178.660 176.600 -0.070 0.000 0.989 306 E CA 0.870 57.201 56.400 -0.116 0.000 0.800 306 E CB -0.337 29.331 29.700 -0.054 0.000 0.746 306 E HN 0.607 nan 8.360 nan 0.000 0.452 307 G N 1.075 109.799 108.800 -0.128 0.000 2.404 307 G HA2 -0.201 1.630 3.960 -3.548 0.000 0.215 307 G HA3 -0.201 1.630 3.960 -3.548 0.000 0.215 307 G C 1.698 176.549 174.900 -0.082 0.000 1.174 307 G CA 0.756 45.860 45.100 0.006 0.000 0.780 307 G HN 0.341 nan 8.290 nan 0.000 0.537 308 A N 1.333 123.804 122.820 -0.582 0.000 1.902 308 A HA -0.077 2.114 4.320 -3.548 0.000 0.217 308 A C 2.243 179.799 177.584 -0.045 0.000 1.181 308 A CA 1.898 53.715 52.037 -0.368 0.000 0.623 308 A CB -0.438 18.261 19.000 -0.502 0.000 0.818 308 A HN 0.336 nan 8.150 nan 0.000 0.443 309 N N -0.609 118.053 118.700 -0.064 0.000 2.309 309 N HA -0.106 2.505 4.740 -3.548 0.000 0.182 309 N C 1.637 177.156 175.510 0.014 0.000 1.018 309 N CA 1.271 54.315 53.050 -0.009 0.000 0.876 309 N CB -0.434 38.028 38.487 -0.041 0.000 0.972 309 N HN 0.503 nan 8.380 nan 0.000 0.434 310 M N 0.633 120.244 119.600 0.018 0.000 2.086 310 M HA -0.053 2.298 4.480 -3.548 0.000 0.261 310 M C 1.658 177.972 176.300 0.024 0.000 1.067 310 M CA 1.238 56.559 55.300 0.035 0.000 1.116 310 M CB -0.460 32.169 32.600 0.049 0.000 1.348 310 M HN 0.071 nan 8.290 nan 0.000 0.407 311 L N 0.156 121.377 121.223 -0.004 0.000 2.093 311 L HA -0.138 2.074 4.340 -3.548 0.000 0.208 311 L C 2.711 179.630 176.870 0.081 0.000 1.085 311 L CA 1.110 55.953 54.840 0.005 0.000 0.755 311 L CB -1.026 41.079 42.059 0.076 0.000 0.904 311 L HN 0.351 nan 8.230 nan 0.000 0.435 312 A N 0.093 122.953 122.820 0.068 0.000 1.933 312 A HA -0.144 2.048 4.320 -3.548 0.000 0.218 312 A C 2.525 180.135 177.584 0.044 0.000 1.175 312 A CA 1.618 53.682 52.037 0.045 0.000 0.628 312 A CB -0.585 18.441 19.000 0.044 0.000 0.814 312 A HN 0.399 nan 8.150 nan 0.000 0.444 313 A N -0.143 122.709 122.820 0.053 0.000 1.933 313 A HA 0.188 2.379 4.320 -3.548 0.000 0.218 313 A C 2.460 180.091 177.584 0.079 0.000 1.175 313 A CA 1.888 53.957 52.037 0.053 0.000 0.628 313 A CB -0.886 18.145 19.000 0.051 0.000 0.814 313 A HN 1.016 nan 8.150 nan 0.000 0.444 314 A N -0.405 122.491 122.820 0.127 0.000 1.933 314 A HA 0.015 2.206 4.320 -3.548 0.000 0.218 314 A C 2.071 179.779 177.584 0.207 0.000 1.175 314 A CA 1.470 53.625 52.037 0.195 0.000 0.628 314 A CB -0.450 18.727 19.000 0.296 0.000 0.814 314 A HN 0.471 nan 8.150 nan 0.000 0.444 315 L N -1.488 119.811 121.223 0.127 0.000 2.375 315 L HA 0.002 2.214 4.340 -3.548 0.000 0.215 315 L C 2.351 179.266 176.870 0.076 0.000 1.108 315 L CA 0.972 55.883 54.840 0.118 0.000 0.830 315 L CB -0.220 41.823 42.059 -0.027 0.000 0.959 315 L HN 0.285 nan 8.230 nan 0.000 0.457 316 K N 1.354 121.769 120.400 0.025 0.000 2.063 316 K HA -0.148 2.043 4.320 -3.548 0.000 0.208 316 K C -0.660 175.879 176.600 -0.102 0.000 1.048 316 K CA 1.573 57.848 56.287 -0.021 0.000 0.928 316 K CB -1.047 31.445 32.500 -0.012 0.000 0.713 316 K HN 0.125 nan 8.250 nan 0.000 0.442 317 P HA -0.059 nan 4.420 nan 0.000 0.226 317 P C 0.190 177.112 177.300 -0.629 0.000 1.153 317 P CA 1.011 63.848 63.100 -0.439 0.000 0.777 317 P CB 0.090 31.420 31.700 -0.616 0.000 0.794 318 F N -1.996 117.756 119.950 -0.330 0.000 2.678 318 F HA 0.410 2.808 4.527 -3.548 0.000 0.305 318 F C 1.692 177.274 175.800 -0.363 0.000 1.090 318 F CA 0.350 58.010 58.000 -0.568 0.000 1.272 318 F CB -0.390 37.732 39.000 -1.463 0.000 1.060 318 F HN -0.062 nan 8.300 nan 0.000 0.576 319 G N 0.603 109.375 108.800 -0.048 0.000 2.136 319 G HA2 -0.182 1.649 3.960 -3.548 0.000 0.242 319 G HA3 -0.182 1.649 3.960 -3.548 0.000 0.242 319 G C 0.633 175.581 174.900 0.079 0.000 0.989 319 G CA -0.155 44.966 45.100 0.035 0.000 0.682 319 G HN 0.730 nan 8.290 nan 0.000 0.522 320 G N -1.184 107.662 108.800 0.076 0.000 2.504 320 G HA2 0.803 2.634 3.960 -3.548 0.000 0.288 320 G HA3 0.803 2.634 3.960 -3.548 0.000 0.288 320 G C 0.209 175.066 174.900 -0.071 0.000 1.182 320 G CA 0.239 45.370 45.100 0.052 0.000 0.894 320 G HN 1.601 nan 8.290 nan 0.000 0.521 321 V N -1.884 117.911 119.914 -0.199 0.000 3.001 321 V HA 0.809 2.801 4.120 -3.548 0.000 0.314 321 V C -0.541 175.339 176.094 -0.356 0.000 1.099 321 V CA -1.068 61.047 62.300 -0.309 0.000 0.989 321 V CB 1.833 33.351 31.823 -0.509 0.000 1.040 321 V HN 0.541 nan 8.190 nan 0.000 0.434 322 V N 2.867 122.638 119.914 -0.239 0.000 2.357 322 V HA 0.478 2.469 4.120 -3.548 0.000 0.284 322 V C -0.860 175.228 176.094 -0.010 0.000 1.018 322 V CA -0.141 62.121 62.300 -0.063 0.000 0.841 322 V CB 1.014 32.920 31.823 0.137 0.000 0.991 322 V HN 0.714 nan 8.190 nan 0.000 0.437 323 F N 4.345 124.343 119.950 0.080 0.000 2.368 323 F HA 0.296 2.710 4.527 -3.521 0.000 0.362 323 F C 0.136 175.997 175.800 0.102 0.000 1.137 323 F CA -1.133 56.880 58.000 0.022 0.000 1.161 323 F CB 0.510 39.479 39.000 -0.051 0.000 1.265 323 F HN 0.550 nan 8.300 nan 0.000 0.530 324 W N 6.327 127.670 121.300 0.071 0.000 2.314 324 W HA 0.412 2.943 4.660 -3.547 0.000 0.310 324 W C -0.366 176.131 176.519 -0.038 0.000 1.075 324 W CA -0.997 56.357 57.345 0.016 0.000 1.253 324 W CB 0.815 30.256 29.460 -0.032 0.000 1.238 324 W HN 0.464 nan 8.180 nan 0.000 0.440 325 R N 3.714 124.095 120.500 -0.200 0.000 2.442 325 R HA 0.249 2.460 4.340 -3.548 0.000 0.291 325 R C 0.856 177.127 176.300 -0.047 0.000 1.069 325 R CA 0.126 56.168 56.100 -0.097 0.000 1.022 325 R CB 1.052 31.322 30.300 -0.051 0.000 0.976 325 R HN 0.542 nan 8.270 nan 0.000 0.443 326 A N 3.870 126.611 122.820 -0.132 0.000 2.379 326 A HA 0.032 2.223 4.320 -3.548 0.000 0.236 326 A C 0.090 177.712 177.584 0.063 0.000 1.272 326 A CA -0.292 51.550 52.037 -0.325 0.000 0.886 326 A CB -0.039 18.418 19.000 -0.904 0.000 0.962 326 A HN 0.664 nan 8.150 nan 0.000 0.504 327 F N 1.619 121.556 119.950 -0.022 0.000 2.651 327 F HA 0.437 2.846 4.527 -3.531 0.000 0.347 327 F C -0.492 175.418 175.800 0.184 0.000 1.284 327 F CA -0.496 57.533 58.000 0.047 0.000 1.175 327 F CB -0.096 38.900 39.000 -0.007 0.000 1.542 327 F HN -0.074 nan 8.300 nan 0.000 0.661 328 V N 6.454 126.388 119.914 0.033 0.000 2.709 328 V HA 0.440 2.431 4.120 -3.548 0.000 0.308 328 V C -1.220 174.882 176.094 0.012 0.000 1.062 328 V CA -0.964 61.311 62.300 -0.042 0.000 0.901 328 V CB 1.880 33.748 31.823 0.075 0.000 1.003 328 V HN 0.417 nan 8.190 nan 0.000 0.425 329 Y N 2.559 122.702 120.300 -0.261 0.000 2.323 329 Y HA 0.732 3.154 4.550 -3.548 0.000 0.322 329 Y C -0.560 175.320 175.900 -0.034 0.000 1.133 329 Y CA -1.263 56.745 58.100 -0.155 0.000 1.093 329 Y CB 0.776 39.187 38.460 -0.082 0.000 1.203 329 Y HN 0.848 nan 8.280 nan 0.000 0.427 330 H N 2.397 121.389 119.070 -0.130 0.000 2.582 330 H HA 0.407 2.835 4.556 -3.547 0.000 0.345 330 H C -2.372 172.886 175.328 -0.116 0.000 1.104 330 H CA -3.489 52.459 56.048 -0.167 0.000 1.390 330 H CB 0.724 30.415 29.762 -0.117 0.000 1.461 330 H HN 0.383 nan 8.280 nan 0.000 0.551 331 P HA -0.217 nan 4.420 nan 0.000 0.217 331 P C 0.777 178.003 177.300 -0.124 0.000 1.148 331 P CA 2.042 65.069 63.100 -0.122 0.000 0.834 331 P CB 0.107 31.703 31.700 -0.172 0.000 0.783 332 D N -0.380 119.896 120.400 -0.208 0.000 2.312 332 D HA -0.081 2.431 4.640 -3.548 0.000 0.211 332 D C 1.046 177.174 176.300 -0.287 0.000 0.964 332 D CA 0.086 53.929 54.000 -0.262 0.000 0.877 332 D CB -0.911 39.715 40.800 -0.290 0.000 0.924 332 D HN 0.269 nan 8.370 nan 0.000 0.515 333 I N -1.778 118.593 120.570 -0.331 0.000 2.764 333 I HA 0.218 2.259 4.170 -3.548 0.000 0.294 333 I C 1.365 177.508 176.117 0.044 0.000 1.045 333 I CA -0.865 60.349 61.300 -0.143 0.000 1.340 333 I CB 1.212 39.245 38.000 0.054 0.000 1.436 333 I HN -0.026 nan 8.210 nan 0.000 0.567 334 E N 1.515 121.761 120.200 0.078 0.000 2.216 334 E HA -0.068 2.153 4.350 -3.548 0.000 0.192 334 E C -0.336 176.396 176.600 0.220 0.000 0.988 334 E CA 0.481 56.950 56.400 0.116 0.000 0.834 334 E CB 0.065 29.806 29.700 0.069 0.000 0.772 334 E HN 0.755 nan 8.360 nan 0.000 0.479 335 D N 0.098 120.654 120.400 0.260 0.000 2.479 335 D HA 0.120 2.631 4.640 -3.548 0.000 0.246 335 D C 0.381 176.879 176.300 0.331 0.000 1.336 335 D CA -0.667 53.528 54.000 0.326 0.000 0.967 335 D CB 1.349 42.320 40.800 0.286 0.000 1.275 335 D HN -0.005 nan 8.370 nan 0.000 0.577 336 R N 2.974 123.707 120.500 0.388 0.000 2.139 336 R HA -0.194 2.018 4.340 -3.548 0.000 0.243 336 R C 1.514 177.987 176.300 0.288 0.000 1.145 336 R CA 1.334 57.620 56.100 0.310 0.000 0.976 336 R CB -0.341 30.104 30.300 0.241 0.000 0.866 336 R HN 0.481 nan 8.270 nan 0.000 0.449 337 F N 1.273 121.308 119.950 0.141 0.000 2.192 337 F HA -0.193 2.208 4.527 -3.543 0.000 0.301 337 F C 1.883 177.740 175.800 0.095 0.000 1.079 337 F CA 1.736 59.802 58.000 0.109 0.000 1.303 337 F CB 0.025 39.066 39.000 0.068 0.000 1.024 337 F HN -0.019 nan 8.300 nan 0.000 0.494 338 R N -0.471 120.254 120.500 0.374 0.000 2.275 338 R HA 0.067 2.279 4.340 -3.548 0.000 0.199 338 R C 2.488 178.916 176.300 0.214 0.000 0.989 338 R CA 0.484 56.754 56.100 0.284 0.000 1.016 338 R CB -0.706 29.748 30.300 0.257 0.000 0.918 338 R HN 0.436 nan 8.270 nan 0.000 0.473 339 G N 1.373 110.286 108.800 0.187 0.000 2.480 339 G HA2 -0.334 1.497 3.960 -3.548 0.000 0.216 339 G HA3 -0.334 1.497 3.960 -3.548 0.000 0.216 339 G C 1.532 176.488 174.900 0.094 0.000 1.200 339 G CA 0.978 46.160 45.100 0.138 0.000 0.782 339 G HN 0.381 nan 8.290 nan 0.000 0.554 340 A N -0.219 122.671 122.820 0.118 0.000 1.877 340 A HA -0.057 2.135 4.320 -3.548 0.000 0.216 340 A C 2.229 179.952 177.584 0.232 0.000 1.186 340 A CA 1.807 53.961 52.037 0.194 0.000 0.620 340 A CB -0.820 18.249 19.000 0.116 0.000 0.822 340 A HN 0.492 nan 8.150 nan 0.000 0.443 341 Y N 1.020 121.342 120.300 0.036 0.000 2.081 341 Y HA -0.294 2.126 4.550 -3.550 0.000 0.280 341 Y C 1.929 177.854 175.900 0.042 0.000 1.163 341 Y CA 2.345 60.455 58.100 0.018 0.000 1.135 341 Y CB -0.119 38.314 38.460 -0.044 0.000 0.970 341 Y HN 0.355 nan 8.280 nan 0.000 0.498 342 D N -0.389 120.122 120.400 0.185 0.000 2.219 342 D HA -0.140 2.372 4.640 -3.548 0.000 0.205 342 D C 1.962 178.227 176.300 -0.058 0.000 0.970 342 D CA 1.368 55.417 54.000 0.082 0.000 0.851 342 D CB -0.151 40.734 40.800 0.140 0.000 0.943 342 D HN 0.504 nan 8.370 nan 0.000 0.488 343 E N -0.847 119.293 120.200 -0.100 0.000 2.076 343 E HA -0.041 2.180 4.350 -3.548 0.000 0.190 343 E C 1.364 177.701 176.600 -0.439 0.000 0.979 343 E CA 0.773 56.981 56.400 -0.320 0.000 0.807 343 E CB -0.009 29.424 29.700 -0.444 0.000 0.761 343 E HN 0.190 nan 8.360 nan 0.000 0.454 344 F N -0.894 118.987 119.950 -0.114 0.000 2.622 344 F HA 0.126 2.529 4.527 -3.541 0.000 0.288 344 F C 1.933 177.656 175.800 -0.127 0.000 1.120 344 F CA 0.084 58.045 58.000 -0.065 0.000 1.423 344 F CB 0.011 38.997 39.000 -0.024 0.000 1.127 344 F HN 0.023 nan 8.300 nan 0.000 0.588 345 M N 0.569 120.081 119.600 -0.147 0.000 2.106 345 M HA -0.132 2.219 4.480 -3.548 0.000 0.259 345 M C -0.606 175.614 176.300 -0.134 0.000 1.068 345 M CA 1.816 56.967 55.300 -0.248 0.000 1.100 345 M CB -2.283 29.989 32.600 -0.547 0.000 1.351 345 M HN -0.046 nan 8.290 nan 0.000 0.404 346 P HA -0.048 nan 4.420 nan 0.000 0.225 346 P C 1.331 178.569 177.300 -0.103 0.000 1.148 346 P CA 1.012 64.048 63.100 -0.106 0.000 0.779 346 P CB -0.167 31.465 31.700 -0.114 0.000 0.780 347 L N -1.695 119.480 121.223 -0.080 0.000 2.607 347 L HA 0.181 2.392 4.340 -3.548 0.000 0.228 347 L C 0.663 177.523 176.870 -0.016 0.000 1.123 347 L CA -0.314 54.456 54.840 -0.117 0.000 0.890 347 L CB -0.545 41.419 42.059 -0.158 0.000 1.103 347 L HN -0.117 nan 8.230 nan 0.000 0.468 348 D N 1.025 121.450 120.400 0.041 0.000 2.487 348 D HA 0.244 2.756 4.640 -3.548 0.000 0.243 348 D C 1.276 177.585 176.300 0.015 0.000 1.154 348 D CA 1.564 55.602 54.000 0.063 0.000 0.876 348 D CB 0.861 41.647 40.800 -0.024 0.000 1.161 348 D HN 0.301 nan 8.370 nan 0.000 0.478 349 G N 3.973 112.810 108.800 0.062 0.000 2.213 349 G HA2 -0.307 1.524 3.960 -3.548 0.000 0.236 349 G HA3 -0.307 1.524 3.960 -3.548 0.000 0.236 349 G C 1.125 176.011 174.900 -0.024 0.000 0.991 349 G CA 0.415 45.526 45.100 0.018 0.000 0.629 349 G HN 0.564 nan 8.290 nan 0.000 0.517 350 K N -0.482 119.846 120.400 -0.120 0.000 2.393 350 K HA 0.322 2.513 4.320 -3.548 0.000 0.193 350 K C 0.130 176.520 176.600 -0.350 0.000 1.026 350 K CA -0.094 56.034 56.287 -0.265 0.000 1.064 350 K CB 0.185 32.452 32.500 -0.388 0.000 0.833 350 K HN 0.348 nan 8.250 nan 0.000 0.521 351 F N 1.391 121.314 119.950 -0.046 0.000 2.375 351 F HA 0.286 2.688 4.527 -3.542 0.000 0.333 351 F C 0.945 176.730 175.800 -0.026 0.000 1.104 351 F CA -1.168 56.800 58.000 -0.052 0.000 1.149 351 F CB 0.580 39.554 39.000 -0.044 0.000 1.190 351 F HN -0.091 nan 8.300 nan 0.000 0.533 352 A N 1.323 124.238 122.820 0.159 0.000 2.386 352 A HA 0.144 2.335 4.320 -3.548 0.000 0.246 352 A C 0.876 178.534 177.584 0.123 0.000 1.089 352 A CA -0.138 51.960 52.037 0.101 0.000 0.790 352 A CB -0.035 19.006 19.000 0.068 0.000 1.042 352 A HN 0.821 nan 8.150 nan 0.000 0.497 353 D N -0.088 120.377 120.400 0.108 0.000 2.348 353 D HA -0.130 2.381 4.640 -3.548 0.000 0.216 353 D C 0.628 177.049 176.300 0.201 0.000 0.970 353 D CA 1.057 55.146 54.000 0.149 0.000 0.889 353 D CB -0.217 40.657 40.800 0.125 0.000 0.912 353 D HN 0.562 nan 8.370 nan 0.000 0.524 354 N N 0.685 119.450 118.700 0.110 0.000 2.251 354 N HA 0.020 2.631 4.740 -3.548 0.000 0.217 354 N C -0.612 174.857 175.510 -0.067 0.000 1.124 354 N CA -0.261 52.788 53.050 -0.002 0.000 0.843 354 N CB 0.400 38.888 38.487 0.001 0.000 1.024 354 N HN 0.019 nan 8.380 nan 0.000 0.501 355 V N 1.527 121.450 119.914 0.014 0.000 2.435 355 V HA 0.478 2.470 4.120 -3.548 0.000 0.290 355 V C -0.007 176.081 176.094 -0.009 0.000 1.030 355 V CA -0.731 61.576 62.300 0.012 0.000 0.881 355 V CB 1.623 33.488 31.823 0.071 0.000 0.983 355 V HN 0.086 nan 8.190 nan 0.000 0.445 356 I N 5.119 125.692 120.570 0.006 0.000 2.466 356 I HA 0.367 2.409 4.170 -3.548 0.000 0.289 356 I C -0.778 175.336 176.117 -0.005 0.000 1.026 356 I CA -0.770 60.551 61.300 0.034 0.000 1.078 356 I CB 1.900 39.987 38.000 0.145 0.000 1.249 356 I HN 0.364 nan 8.210 nan 0.000 0.429 357 L N 6.157 127.296 121.223 -0.141 0.000 2.313 357 L HA 0.262 2.474 4.340 -3.548 0.000 0.282 357 L C 0.059 176.850 176.870 -0.131 0.000 1.092 357 L CA 0.411 55.127 54.840 -0.206 0.000 0.831 357 L CB 0.839 42.657 42.059 -0.402 0.000 1.159 357 L HN 0.629 nan 8.230 nan 0.000 0.442 358 Q N 5.261 125.003 119.800 -0.097 0.000 2.340 358 Q HA 0.556 2.767 4.340 -3.548 0.000 0.259 358 Q C -1.393 174.531 176.000 -0.126 0.000 0.964 358 Q CA -0.300 55.446 55.803 -0.096 0.000 0.900 358 Q CB 0.789 29.477 28.738 -0.084 0.000 1.228 358 Q HN 0.694 nan 8.270 nan 0.000 0.449 359 I N 3.919 124.413 120.570 -0.127 0.000 2.465 359 I HA 0.353 2.394 4.170 -3.548 0.000 0.291 359 I C -0.255 175.827 176.117 -0.057 0.000 1.014 359 I CA -0.916 60.258 61.300 -0.209 0.000 1.093 359 I CB 1.929 39.577 38.000 -0.587 0.000 1.267 359 I HN 0.494 nan 8.210 nan 0.000 0.431 360 K N 4.471 124.820 120.400 -0.085 0.000 2.276 360 K HA 0.062 2.253 4.320 -3.548 0.000 0.259 360 K C 1.191 177.861 176.600 0.116 0.000 1.001 360 K CA -0.279 55.984 56.287 -0.041 0.000 0.927 360 K CB 0.492 32.779 32.500 -0.355 0.000 0.969 360 K HN 0.675 nan 8.250 nan 0.000 0.490 361 N N 0.561 119.384 118.700 0.204 0.000 2.205 361 N HA -0.127 2.484 4.740 -3.548 0.000 0.186 361 N C 0.606 176.293 175.510 0.294 0.000 1.015 361 N CA 1.084 54.314 53.050 0.300 0.000 0.862 361 N CB -0.063 38.669 38.487 0.408 0.000 0.986 361 N HN 0.528 nan 8.380 nan 0.000 0.429 362 G N -0.012 108.866 108.800 0.131 0.000 2.714 362 G HA2 0.453 2.285 3.960 -3.548 0.000 0.292 362 G HA3 0.453 2.285 3.960 -3.548 0.000 0.292 362 G C -2.364 172.457 174.900 -0.131 0.000 1.308 362 G CA -1.142 43.953 45.100 -0.009 0.000 0.964 362 G HN -0.075 nan 8.290 nan 0.000 0.484 363 P HA 0.128 nan 4.420 nan 0.000 0.245 363 P C 0.888 178.071 177.300 -0.195 0.000 1.206 363 P CA 0.199 63.098 63.100 -0.335 0.000 0.781 363 P CB 0.597 31.834 31.700 -0.771 0.000 0.994 364 I N 0.256 120.752 120.570 -0.124 0.000 4.518 364 I HA 0.222 2.263 4.170 -3.548 0.000 0.231 364 I C 0.335 176.461 176.117 0.015 0.000 1.003 364 I CA 1.026 62.326 61.300 -0.001 0.000 1.610 364 I CB -0.904 37.172 38.000 0.127 0.000 1.481 364 I HN -0.071 nan 8.210 nan 0.000 0.462 365 D N -0.559 119.787 120.400 -0.090 0.000 3.171 365 D HA 0.149 2.660 4.640 -3.548 0.000 0.240 365 D C -0.850 175.359 176.300 -0.151 0.000 1.432 365 D CA -0.396 53.469 54.000 -0.224 0.000 0.892 365 D CB -0.300 40.496 40.800 -0.006 0.000 1.499 365 D HN 0.135 nan 8.370 nan 0.000 0.597 366 F N -0.086 119.860 119.950 -0.007 0.000 3.100 366 F HA -0.273 2.151 4.527 -3.505 0.000 0.283 366 F C 0.973 176.746 175.800 -0.046 0.000 0.900 366 F CA 0.542 58.587 58.000 0.076 0.000 1.010 366 F CB -1.799 37.334 39.000 0.220 0.000 1.029 366 F HN 0.378 nan 8.300 nan 0.000 0.637 367 Q N 0.354 120.145 119.800 -0.016 0.000 2.417 367 Q HA 0.124 2.335 4.340 -3.548 0.000 0.241 367 Q C -0.955 175.051 176.000 0.009 0.000 1.008 367 Q CA -1.169 54.550 55.803 -0.141 0.000 0.901 367 Q CB 0.184 28.890 28.738 -0.053 0.000 1.259 367 Q HN 0.008 nan 8.270 nan 0.000 0.489 368 P HA -0.124 nan 4.420 nan 0.000 0.217 368 P C 0.006 177.368 177.300 0.103 0.000 1.148 368 P CA 1.467 64.484 63.100 -0.138 0.000 0.828 368 P CB 0.321 31.724 31.700 -0.496 0.000 0.783 369 R N -0.311 120.249 120.500 0.100 0.000 2.564 369 R HA 0.336 2.547 4.340 -3.548 0.000 0.284 369 R C -1.116 175.328 176.300 0.241 0.000 1.031 369 R CA -0.449 55.743 56.100 0.152 0.000 0.904 369 R CB 1.613 31.982 30.300 0.115 0.000 1.199 369 R HN -0.116 nan 8.270 nan 0.000 0.443 370 E N 4.275 124.532 120.200 0.096 0.000 2.343 370 E HA 0.414 2.635 4.350 -3.548 0.000 0.270 370 E C -2.480 173.957 176.600 -0.272 0.000 0.895 370 E CA -2.246 54.035 56.400 -0.198 0.000 0.767 370 E CB 2.633 32.236 29.700 -0.163 0.000 1.248 370 E HN 0.460 nan 8.360 nan 0.000 0.440 371 P HA 0.017 nan 4.420 nan 0.000 0.272 371 P C -0.346 176.993 177.300 0.065 0.000 1.240 371 P CA -0.262 62.718 63.100 -0.199 0.000 0.791 371 P CB 0.235 31.790 31.700 -0.242 0.000 0.978 372 F N -0.680 119.438 119.950 0.281 0.000 2.553 372 F HA 0.219 2.615 4.527 -3.552 0.000 0.356 372 F C 0.365 176.385 175.800 0.367 0.000 1.142 372 F CA -0.606 57.593 58.000 0.332 0.000 1.322 372 F CB -0.574 38.641 39.000 0.357 0.000 1.126 372 F HN 0.105 nan 8.300 nan 0.000 0.599 373 S N 2.755 118.726 115.700 0.453 0.000 2.515 373 S HA 0.302 2.643 4.470 -3.548 0.000 0.285 373 S C 1.221 175.952 174.600 0.218 0.000 1.265 373 S CA -0.159 58.131 58.200 0.150 0.000 1.079 373 S CB 0.936 64.116 63.200 -0.032 0.000 0.877 373 S HN 0.933 nan 8.310 nan 0.000 0.493 374 A N 4.193 126.924 122.820 -0.149 0.000 2.024 374 A HA -0.075 2.116 4.320 -3.548 0.000 0.220 374 A C 1.916 179.617 177.584 0.195 0.000 1.164 374 A CA 1.128 53.019 52.037 -0.244 0.000 0.643 374 A CB -0.556 17.899 19.000 -0.909 0.000 0.806 374 A HN 0.830 nan 8.150 nan 0.000 0.451 375 L N -1.882 119.424 121.223 0.139 0.000 2.081 375 L HA -0.229 1.983 4.340 -3.548 0.000 0.212 375 L C 2.326 179.235 176.870 0.065 0.000 1.080 375 L CA 1.318 56.184 54.840 0.044 0.000 0.754 375 L CB -0.565 41.373 42.059 -0.201 0.000 0.893 375 L HN 0.395 nan 8.230 nan 0.000 0.433 376 F N -0.228 119.857 119.950 0.225 0.000 2.216 376 F HA -0.183 2.212 4.527 -3.553 0.000 0.300 376 F C 2.413 178.404 175.800 0.318 0.000 1.085 376 F CA 1.129 59.259 58.000 0.216 0.000 1.326 376 F CB -0.678 38.431 39.000 0.181 0.000 1.027 376 F HN 0.024 nan 8.300 nan 0.000 0.497 377 A N -0.900 122.251 122.820 0.552 0.000 2.238 377 A HA 0.366 2.558 4.320 -3.548 0.000 0.210 377 A C 2.327 180.197 177.584 0.476 0.000 1.179 377 A CA 0.960 53.307 52.037 0.517 0.000 0.827 377 A CB -0.909 18.401 19.000 0.517 0.000 0.856 377 A HN 0.359 nan 8.150 nan 0.000 0.488 378 G N -1.280 107.723 108.800 0.337 0.000 2.651 378 G HA2 0.235 2.066 3.960 -3.548 0.000 0.207 378 G HA3 0.235 2.066 3.960 -3.548 0.000 0.207 378 G C 0.670 175.526 174.900 -0.073 0.000 1.131 378 G CA -0.197 45.021 45.100 0.196 0.000 0.816 378 G HN 0.265 nan 8.290 nan 0.000 0.534 379 M N 3.003 122.522 119.600 -0.135 0.000 2.266 379 M HA 0.201 2.553 4.480 -3.548 0.000 0.340 379 M C 0.965 176.881 176.300 -0.640 0.000 1.486 379 M CA 0.013 55.155 55.300 -0.263 0.000 1.209 379 M CB 0.675 33.189 32.600 -0.145 0.000 1.714 379 M HN 0.252 nan 8.290 nan 0.000 0.459 380 S N 2.710 117.991 115.700 -0.699 0.000 2.539 380 S HA 0.239 2.581 4.470 -3.548 0.000 0.221 380 S C 1.009 175.386 174.600 -0.371 0.000 0.987 380 S CA -0.405 57.181 58.200 -1.024 0.000 0.929 380 S CB 0.407 63.152 63.200 -0.759 0.000 0.832 380 S HN 0.770 nan 8.310 nan 0.000 0.492 381 R N 0.617 120.997 120.500 -0.200 0.000 2.616 381 R HA 0.308 2.519 4.340 -3.548 0.000 0.427 381 R C -0.915 175.390 176.300 0.008 0.000 1.030 381 R CA -0.038 56.027 56.100 -0.059 0.000 1.133 381 R CB 1.248 31.526 30.300 -0.037 0.000 1.444 381 R HN 0.213 nan 8.270 nan 0.000 0.578 382 T N 0.475 115.026 114.554 -0.005 0.000 2.912 382 T HA 0.294 2.515 4.350 -3.548 0.000 0.299 382 T C -0.635 174.083 174.700 0.030 0.000 1.052 382 T CA -0.893 61.233 62.100 0.044 0.000 0.996 382 T CB 1.856 70.751 68.868 0.046 0.000 1.070 382 T HN 0.009 nan 8.240 nan 0.000 0.465 383 N N 2.747 121.481 118.700 0.058 0.000 2.492 383 N HA 0.346 2.957 4.740 -3.548 0.000 0.262 383 N C -0.481 175.053 175.510 0.039 0.000 1.202 383 N CA 0.287 53.392 53.050 0.092 0.000 0.926 383 N CB 0.464 39.048 38.487 0.161 0.000 1.078 383 N HN 0.558 nan 8.380 nan 0.000 0.454 384 M N 1.655 121.305 119.600 0.083 0.000 2.572 384 M HA 0.541 2.892 4.480 -3.548 0.000 0.299 384 M C -0.391 175.970 176.300 0.102 0.000 1.205 384 M CA -0.712 54.632 55.300 0.074 0.000 0.876 384 M CB 2.292 34.981 32.600 0.149 0.000 1.728 384 M HN 0.429 nan 8.290 nan 0.000 0.458 385 M N 1.117 120.765 119.600 0.079 0.000 2.520 385 M HA 0.684 3.035 4.480 -3.548 0.000 0.283 385 M C -1.408 174.929 176.300 0.061 0.000 1.237 385 M CA -0.976 54.341 55.300 0.029 0.000 0.885 385 M CB 2.437 34.990 32.600 -0.078 0.000 1.727 385 M HN 0.674 nan 8.290 nan 0.000 0.468 386 M N 2.097 121.672 119.600 -0.041 0.000 2.274 386 M HA 0.419 2.771 4.480 -3.548 0.000 0.344 386 M C -0.896 175.283 176.300 -0.201 0.000 1.161 386 M CA 0.504 55.733 55.300 -0.119 0.000 1.126 386 M CB 1.135 33.450 32.600 -0.476 0.000 1.522 386 M HN 0.799 nan 8.290 nan 0.000 0.461 387 E N 3.926 124.026 120.200 -0.166 0.000 2.185 387 E HA 0.404 2.625 4.350 -3.548 0.000 0.261 387 E C -1.865 174.729 176.600 -0.010 0.000 0.879 387 E CA -0.307 56.044 56.400 -0.082 0.000 0.756 387 E CB 0.829 30.558 29.700 0.049 0.000 1.152 387 E HN 0.723 nan 8.360 nan 0.000 0.416 388 F N 1.969 121.886 119.950 -0.055 0.000 2.507 388 F HA 0.330 2.641 4.527 -3.693 0.000 0.327 388 F C 0.375 175.836 175.800 -0.564 0.000 1.068 388 F CA -0.990 56.898 58.000 -0.186 0.000 0.965 388 F CB 2.074 40.790 39.000 -0.473 0.000 1.192 388 F HN 0.348 nan 8.300 nan 0.000 0.476 389 Q N 1.878 121.353 119.800 -0.542 0.000 2.307 389 Q HA 0.372 2.583 4.340 -3.548 0.000 0.262 389 Q C -0.386 175.405 176.000 -0.347 0.000 0.961 389 Q CA -0.422 54.874 55.803 -0.845 0.000 0.882 389 Q CB 1.481 29.327 28.738 -1.486 0.000 1.264 389 Q HN 0.687 nan 8.270 nan 0.000 0.446 390 I N 1.477 121.814 120.570 -0.389 0.000 2.685 390 I HA -0.009 2.032 4.170 -3.548 0.000 0.251 390 I C 1.204 177.204 176.117 -0.196 0.000 1.102 390 I CA 0.511 61.686 61.300 -0.209 0.000 1.442 390 I CB -0.062 37.777 38.000 -0.269 0.000 1.194 390 I HN 0.559 nan 8.210 nan 0.000 0.448 391 T N 1.989 116.374 114.554 -0.281 0.000 2.946 391 T HA -0.062 2.160 4.350 -3.548 0.000 0.312 391 T C 0.418 175.111 174.700 -0.011 0.000 1.066 391 T CA 0.199 62.221 62.100 -0.129 0.000 1.138 391 T CB 0.156 68.869 68.868 -0.258 0.000 1.014 391 T HN 0.246 nan 8.240 nan 0.000 0.544 392 Q N 3.377 123.254 119.800 0.130 0.000 3.122 392 Q HA 0.112 2.323 4.340 -3.548 0.000 0.360 392 Q C 1.375 177.423 176.000 0.080 0.000 1.300 392 Q CA -0.214 55.654 55.803 0.109 0.000 0.982 392 Q CB 0.296 29.090 28.738 0.093 0.000 1.534 392 Q HN 0.834 nan 8.270 nan 0.000 0.474 393 E N 0.198 120.450 120.200 0.087 0.000 2.118 393 E HA -0.222 1.999 4.350 -3.548 0.000 0.195 393 E C 0.257 176.700 176.600 -0.263 0.000 0.992 393 E CA 1.438 57.802 56.400 -0.060 0.000 0.804 393 E CB 0.258 29.812 29.700 -0.244 0.000 0.741 393 E HN 0.543 nan 8.360 nan 0.000 0.458 394 Y N -2.227 118.068 120.300 -0.008 0.000 2.481 394 Y HA 0.224 2.641 4.550 -3.556 0.000 0.247 394 Y C 0.305 176.028 175.900 -0.296 0.000 1.151 394 Y CA -0.236 57.676 58.100 -0.313 0.000 1.238 394 Y CB 0.679 38.867 38.460 -0.454 0.000 1.179 394 Y HN 0.004 nan 8.280 nan 0.000 0.524 395 F N -0.483 119.466 119.950 -0.002 0.000 2.698 395 F HA 0.496 2.899 4.527 -3.539 0.000 0.304 395 F C 1.244 176.900 175.800 -0.240 0.000 1.108 395 F CA 0.005 57.935 58.000 -0.116 0.000 1.263 395 F CB 0.972 39.910 39.000 -0.103 0.000 1.013 395 F HN 0.001 nan 8.300 nan 0.000 0.532 396 G N -0.341 108.362 108.800 -0.161 0.000 2.145 396 G HA2 -0.234 1.597 3.960 -3.548 0.000 0.176 396 G HA3 -0.234 1.597 3.960 -3.548 0.000 0.176 396 G C 0.352 175.307 174.900 0.092 0.000 1.013 396 G CA -0.388 44.439 45.100 -0.456 0.000 0.689 396 G HN 0.067 nan 8.290 nan 0.000 0.506 397 F N -1.782 117.983 119.950 -0.309 0.000 2.192 397 F HA -0.301 2.097 4.527 -3.548 0.000 0.317 397 F C 2.122 177.832 175.800 -0.149 0.000 1.454 397 F CA 1.491 59.062 58.000 -0.716 0.000 0.932 397 F CB -1.862 36.806 39.000 -0.554 0.000 4.108 397 F HN 1.223 nan 8.300 nan 0.000 0.138 398 A N -0.521 122.486 122.820 0.312 0.000 2.465 398 A HA 0.476 2.667 4.320 -3.548 0.000 0.255 398 A C 1.154 179.007 177.584 0.448 0.000 1.274 398 A CA 0.984 53.248 52.037 0.377 0.000 0.920 398 A CB -0.684 18.528 19.000 0.354 0.000 1.033 398 A HN 0.907 nan 8.150 nan 0.000 0.516 399 T N -3.824 111.017 114.554 0.478 0.000 2.990 399 T HA 0.235 2.456 4.350 -3.548 0.000 0.250 399 T C 0.514 175.500 174.700 0.477 0.000 1.041 399 T CA 0.113 62.492 62.100 0.467 0.000 1.010 399 T CB -0.259 68.868 68.868 0.433 0.000 1.003 399 T HN 0.526 nan 8.240 nan 0.000 0.499 400 H N 0.424 119.638 119.070 0.239 0.000 2.499 400 H HA 0.505 2.933 4.556 -3.547 0.000 0.340 400 H C -0.947 174.288 175.328 -0.154 0.000 1.148 400 H CA -1.019 55.088 56.048 0.099 0.000 1.215 400 H CB 2.406 32.221 29.762 0.088 0.000 1.529 400 H HN 0.096 nan 8.280 nan 0.000 0.510 401 L N 2.410 123.570 121.223 -0.106 0.000 2.260 401 L HA 0.427 2.638 4.340 -3.548 0.000 0.289 401 L C -0.544 176.210 176.870 -0.193 0.000 1.057 401 L CA -0.312 54.295 54.840 -0.388 0.000 0.811 401 L CB 0.104 41.948 42.059 -0.359 0.000 1.184 401 L HN 0.734 nan 8.230 nan 0.000 0.429 402 A N 4.829 127.524 122.820 -0.209 0.000 3.005 402 A HA 0.173 2.365 4.320 -3.548 0.000 0.308 402 A C -1.177 176.244 177.584 -0.271 0.000 1.173 402 A CA -0.472 51.435 52.037 -0.217 0.000 0.796 402 A CB 0.054 18.922 19.000 -0.220 0.000 1.325 402 A HN 0.620 nan 8.150 nan 0.000 0.467 403 Y N 1.944 122.056 120.300 -0.313 0.000 2.650 403 Y HA 0.128 2.552 4.550 -3.544 0.000 0.331 403 Y C 0.918 176.523 175.900 -0.492 0.000 1.165 403 Y CA 0.334 58.237 58.100 -0.328 0.000 1.473 403 Y CB 0.743 39.072 38.460 -0.220 0.000 1.224 403 Y HN 0.644 nan 8.280 nan 0.000 0.533 404 Q N 4.473 123.753 119.800 -0.867 0.000 2.360 404 Q HA 0.084 2.295 4.340 -3.548 0.000 0.202 404 Q C 2.094 177.075 176.000 -1.698 0.000 0.915 404 Q CA 0.678 55.717 55.803 -1.274 0.000 0.943 404 Q CB 0.139 28.120 28.738 -1.263 0.000 1.064 404 Q HN 1.108 nan 8.270 nan 0.000 0.511 405 G N 2.664 110.387 108.800 -1.794 0.000 2.513 405 G HA2 -0.242 1.589 3.960 -3.548 0.000 0.219 405 G HA3 -0.242 1.589 3.960 -3.548 0.000 0.219 405 G C -1.015 173.392 174.900 -0.821 0.000 1.160 405 G CA 0.583 44.928 45.100 -1.259 0.000 0.767 405 G HN 0.358 nan 8.290 nan 0.000 0.571 406 P HA -0.005 nan 4.420 nan 0.000 0.220 406 P C 1.970 179.056 177.300 -0.357 0.000 1.148 406 P CA 0.404 63.267 63.100 -0.396 0.000 0.803 406 P CB -0.043 31.481 31.700 -0.293 0.000 0.782 407 L N -2.045 118.861 121.223 -0.528 0.000 2.072 407 L HA -0.122 2.090 4.340 -3.548 0.000 0.205 407 L C 1.998 178.718 176.870 -0.249 0.000 1.079 407 L CA 1.601 56.227 54.840 -0.357 0.000 0.752 407 L CB -0.518 41.289 42.059 -0.419 0.000 0.906 407 L HN -0.153 nan 8.230 nan 0.000 0.436 408 F N 0.519 120.169 119.950 -0.501 0.000 2.102 408 F HA -0.197 2.416 4.527 -3.190 0.000 0.298 408 F C 2.612 178.244 175.800 -0.279 0.000 1.105 408 F CA 1.465 59.030 58.000 -0.724 0.000 1.239 408 F CB -1.201 37.276 39.000 -0.872 0.000 0.991 408 F HN 0.258 nan 8.300 nan 0.000 0.474 409 E N 0.523 120.687 120.200 -0.060 0.000 2.058 409 E HA -0.281 1.940 4.350 -3.548 0.000 0.194 409 E C 2.231 178.837 176.600 0.011 0.000 0.997 409 E CA 1.511 57.901 56.400 -0.017 0.000 0.801 409 E CB -0.219 29.451 29.700 -0.051 0.000 0.746 409 E HN 0.546 nan 8.360 nan 0.000 0.450 410 E N -0.008 120.187 120.200 -0.009 0.000 2.058 410 E HA -0.209 2.012 4.350 -3.548 0.000 0.194 410 E C 2.134 178.782 176.600 0.081 0.000 0.997 410 E CA 1.680 58.098 56.400 0.029 0.000 0.801 410 E CB -0.099 29.611 29.700 0.017 0.000 0.746 410 E HN 0.121 nan 8.360 nan 0.000 0.450 411 S N 0.485 116.265 115.700 0.133 0.000 2.353 411 S HA -0.151 2.190 4.470 -3.548 0.000 0.222 411 S C 1.959 176.618 174.600 0.099 0.000 1.035 411 S CA 1.360 59.678 58.200 0.196 0.000 1.025 411 S CB -0.298 63.148 63.200 0.410 0.000 0.902 411 S HN 0.285 nan 8.310 nan 0.000 0.440 412 L N 0.759 122.050 121.223 0.114 0.000 2.141 412 L HA -0.047 2.165 4.340 -3.548 0.000 0.209 412 L C 1.958 178.814 176.870 -0.024 0.000 1.094 412 L CA 1.120 55.974 54.840 0.024 0.000 0.763 412 L CB -0.329 41.784 42.059 0.090 0.000 0.908 412 L HN 0.194 nan 8.230 nan 0.000 0.437 413 K N -0.847 119.557 120.400 0.007 0.000 2.404 413 K HA 0.109 2.301 4.320 -3.548 0.000 0.194 413 K C 0.263 176.843 176.600 -0.034 0.000 1.023 413 K CA -0.059 56.222 56.287 -0.009 0.000 1.094 413 K CB 0.238 32.744 32.500 0.011 0.000 0.841 413 K HN 0.118 nan 8.250 nan 0.000 0.523 414 T N 2.313 116.843 114.554 -0.041 0.000 2.817 414 T HA -0.009 2.212 4.350 -3.548 0.000 0.295 414 T C -0.045 174.550 174.700 -0.175 0.000 0.958 414 T CA 0.110 62.182 62.100 -0.047 0.000 1.157 414 T CB 0.672 69.540 68.868 0.000 0.000 0.898 414 T HN 0.117 nan 8.240 nan 0.000 0.536 415 E N 2.490 122.600 120.200 -0.151 0.000 2.257 415 E HA 0.129 2.350 4.350 -3.548 0.000 0.278 415 E C 1.215 177.623 176.600 -0.320 0.000 1.049 415 E CA -0.111 56.125 56.400 -0.273 0.000 0.876 415 E CB 0.589 30.105 29.700 -0.307 0.000 1.035 415 E HN 0.669 nan 8.360 nan 0.000 0.419 416 T N 1.189 115.504 114.554 -0.398 0.000 3.014 416 T HA 0.024 2.246 4.350 -3.548 0.000 0.250 416 T C 0.357 175.070 174.700 0.022 0.000 1.060 416 T CA 0.426 62.348 62.100 -0.296 0.000 1.040 416 T CB -0.269 68.344 68.868 -0.425 0.000 0.971 416 T HN 0.702 nan 8.240 nan 0.000 0.497 417 H N -0.001 119.023 119.070 -0.075 0.000 2.958 417 H HA -0.210 2.217 4.556 -3.547 0.000 0.274 417 H C 1.727 177.052 175.328 -0.004 0.000 1.184 417 H CA 0.532 56.555 56.048 -0.041 0.000 1.143 417 H CB -1.792 27.948 29.762 -0.037 0.000 1.297 417 H HN 0.643 nan 8.280 nan 0.000 0.356 418 A N 1.047 123.905 122.820 0.064 0.000 1.892 418 A HA -0.161 2.030 4.320 -3.548 0.000 0.218 418 A C 1.887 179.518 177.584 0.078 0.000 1.188 418 A CA 1.811 53.916 52.037 0.114 0.000 0.631 418 A CB -0.053 18.994 19.000 0.078 0.000 0.822 418 A HN 0.443 nan 8.150 nan 0.000 0.447 419 R N -1.448 119.033 120.500 -0.031 0.000 2.795 419 R HA 0.425 2.636 4.340 -3.548 0.000 0.320 419 R C 0.391 176.682 176.300 -0.015 0.000 1.223 419 R CA 0.250 56.340 56.100 -0.015 0.000 1.305 419 R CB 0.301 30.550 30.300 -0.085 0.000 1.318 419 R HN 0.769 nan 8.270 nan 0.000 0.636 420 G N 1.256 110.076 108.800 0.033 0.000 2.725 420 G HA2 -0.274 1.558 3.960 -3.548 0.000 0.220 420 G HA3 -0.274 1.558 3.960 -3.548 0.000 0.220 420 G C -0.531 174.367 174.900 -0.005 0.000 1.357 420 G CA -0.795 44.339 45.100 0.057 0.000 0.866 420 G HN 0.401 nan 8.290 nan 0.000 0.548 421 E N 0.394 120.596 120.200 0.004 0.000 2.415 421 E HA 0.374 2.595 4.350 -3.548 0.000 0.262 421 E C 1.319 177.850 176.600 -0.114 0.000 1.038 421 E CA 1.361 57.706 56.400 -0.092 0.000 0.921 421 E CB 0.348 30.031 29.700 -0.027 0.000 0.950 421 E HN 2.209 nan 8.360 nan 0.000 0.438 422 G N 1.969 110.675 108.800 -0.157 0.000 2.175 422 G HA2 -0.273 1.559 3.960 -3.548 0.000 0.244 422 G HA3 -0.273 1.559 3.960 -3.548 0.000 0.244 422 G C 0.422 175.221 174.900 -0.169 0.000 0.982 422 G CA 0.153 45.172 45.100 -0.134 0.000 0.641 422 G HN 0.421 nan 8.290 nan 0.000 0.527 423 S N 2.196 117.766 115.700 -0.216 0.000 3.697 423 S HA 0.439 2.780 4.470 -3.548 0.000 0.207 423 S C 0.995 175.434 174.600 -0.269 0.000 1.459 423 S CA 0.461 58.516 58.200 -0.243 0.000 1.122 423 S CB -0.022 63.041 63.200 -0.229 0.000 1.311 423 S HN 1.052 nan 8.310 nan 0.000 0.487 424 T N -0.635 113.776 114.554 -0.238 0.000 2.860 424 T HA 0.302 2.523 4.350 -3.548 0.000 0.299 424 T C 1.586 176.110 174.700 -0.293 0.000 1.045 424 T CA -0.766 61.187 62.100 -0.245 0.000 1.071 424 T CB 0.449 69.216 68.868 -0.168 0.000 0.985 424 T HN 0.086 nan 8.240 nan 0.000 0.537 425 I N 1.786 122.161 120.570 -0.326 0.000 2.208 425 I HA -0.095 1.946 4.170 -3.548 0.000 0.245 425 I C 2.747 178.607 176.117 -0.428 0.000 1.097 425 I CA 1.974 63.035 61.300 -0.398 0.000 1.363 425 I CB -1.914 35.845 38.000 -0.401 0.000 1.051 425 I HN 0.983 nan 8.210 nan 0.000 0.413 426 G N 0.912 109.456 108.800 -0.427 0.000 2.422 426 G HA2 -0.244 1.587 3.960 -3.548 0.000 0.218 426 G HA3 -0.244 1.587 3.960 -3.548 0.000 0.218 426 G C 1.463 175.838 174.900 -0.876 0.000 1.146 426 G CA 0.451 45.058 45.100 -0.822 0.000 0.769 426 G HN 0.333 nan 8.290 nan 0.000 0.547 427 N N 0.603 119.051 118.700 -0.421 0.000 2.244 427 N HA -0.016 2.596 4.740 -3.548 0.000 0.183 427 N C 2.178 177.547 175.510 -0.235 0.000 1.016 427 N CA 0.558 53.466 53.050 -0.238 0.000 0.866 427 N CB -0.178 38.222 38.487 -0.146 0.000 0.980 427 N HN 0.360 nan 8.380 nan 0.000 0.430 428 I N 0.809 121.221 120.570 -0.262 0.000 2.179 428 I HA -0.227 1.814 4.170 -3.548 0.000 0.242 428 I C 2.015 178.062 176.117 -0.117 0.000 1.088 428 I CA 0.835 62.024 61.300 -0.184 0.000 1.357 428 I CB -0.200 37.723 38.000 -0.129 0.000 1.051 428 I HN 0.056 nan 8.210 nan 0.000 0.409 429 L N 0.254 121.346 121.223 -0.219 0.000 2.083 429 L HA -0.235 1.976 4.340 -3.548 0.000 0.209 429 L C 2.513 179.312 176.870 -0.118 0.000 1.083 429 L CA 1.458 56.195 54.840 -0.172 0.000 0.752 429 L CB -0.572 41.319 42.059 -0.281 0.000 0.899 429 L HN 0.318 nan 8.230 nan 0.000 0.433 430 E N 0.041 120.142 120.200 -0.164 0.000 2.338 430 E HA -0.128 2.094 4.350 -3.548 0.000 0.197 430 E C 1.337 177.916 176.600 -0.035 0.000 1.007 430 E CA 0.699 57.060 56.400 -0.065 0.000 0.849 430 E CB 0.099 29.809 29.700 0.016 0.000 0.774 430 E HN 0.502 nan 8.360 nan 0.000 0.506 431 G N 0.940 109.720 108.800 -0.033 0.000 2.144 431 G HA2 -0.265 1.566 3.960 -3.548 0.000 0.218 431 G HA3 -0.265 1.566 3.960 -3.548 0.000 0.218 431 G C 0.668 175.554 174.900 -0.023 0.000 0.988 431 G CA 0.354 45.454 45.100 0.000 0.000 0.659 431 G HN 0.266 nan 8.290 nan 0.000 0.522 432 K N -0.364 119.999 120.400 -0.061 0.000 2.444 432 K HA 0.397 2.588 4.320 -3.548 0.000 0.193 432 K C 1.941 178.468 176.600 -0.120 0.000 1.024 432 K CA 0.814 57.058 56.287 -0.073 0.000 1.077 432 K CB 0.552 33.012 32.500 -0.067 0.000 0.833 432 K HN 0.356 nan 8.250 nan 0.000 0.517 433 V N 0.062 119.860 119.914 -0.193 0.000 2.721 433 V HA 0.118 2.109 4.120 -3.548 0.000 0.236 433 V C 0.178 176.063 176.094 -0.350 0.000 1.116 433 V CA 0.617 62.691 62.300 -0.376 0.000 1.148 433 V CB 0.099 31.531 31.823 -0.651 0.000 0.886 433 V HN -0.026 nan 8.190 nan 0.000 0.490 434 F N 0.899 120.853 119.950 0.006 0.000 2.443 434 F HA 0.536 2.933 4.527 -3.551 0.000 0.335 434 F C 0.308 176.115 175.800 0.013 0.000 1.104 434 F CA -1.512 56.498 58.000 0.017 0.000 1.013 434 F CB 0.768 39.787 39.000 0.031 0.000 1.136 434 F HN -0.160 nan 8.300 nan 0.000 0.470 435 K N 1.482 122.002 120.400 0.200 0.000 2.416 435 K HA 0.388 2.579 4.320 -3.548 0.000 0.283 435 K C 0.170 176.838 176.600 0.113 0.000 1.037 435 K CA 0.108 56.462 56.287 0.112 0.000 0.995 435 K CB 0.770 33.316 32.500 0.077 0.000 0.938 435 K HN 0.702 nan 8.250 nan 0.000 0.475 436 T N 0.953 115.557 114.554 0.084 0.000 2.812 436 T HA 0.371 2.593 4.350 -3.548 0.000 0.294 436 T C 0.240 174.965 174.700 0.042 0.000 1.159 436 T CA -0.760 61.390 62.100 0.083 0.000 1.008 436 T CB 1.196 70.134 68.868 0.117 0.000 1.289 436 T HN 0.482 nan 8.240 nan 0.000 0.514 437 R N -0.025 120.503 120.500 0.047 0.000 2.191 437 R HA 0.238 2.450 4.340 -3.548 0.000 0.196 437 R C 0.072 176.249 176.300 -0.205 0.000 0.991 437 R CA 0.472 56.540 56.100 -0.054 0.000 1.075 437 R CB 0.044 30.341 30.300 -0.004 0.000 1.040 437 R HN 0.572 nan 8.270 nan 0.000 0.526 438 H N 0.778 119.920 119.070 0.120 0.000 2.658 438 H HA 0.291 2.717 4.556 -3.550 0.000 0.337 438 H C -0.364 175.067 175.328 0.171 0.000 1.009 438 H CA -0.284 55.877 56.048 0.189 0.000 1.231 438 H CB 1.991 31.887 29.762 0.223 0.000 1.508 438 H HN 0.047 nan 8.280 nan 0.000 0.517 439 T N 0.798 115.518 114.554 0.276 0.000 2.908 439 T HA 0.828 3.050 4.350 -3.548 0.000 0.290 439 T C 0.329 175.139 174.700 0.184 0.000 1.034 439 T CA -0.749 61.450 62.100 0.165 0.000 1.010 439 T CB 2.720 71.618 68.868 0.049 0.000 1.068 439 T HN 0.731 nan 8.240 nan 0.000 0.481 440 G N 0.816 109.666 108.800 0.083 0.000 2.322 440 G HA2 0.541 2.372 3.960 -3.548 0.000 0.295 440 G HA3 0.541 2.372 3.960 -3.548 0.000 0.295 440 G C -1.576 173.292 174.900 -0.053 0.000 1.369 440 G CA -0.646 44.480 45.100 0.042 0.000 0.821 440 G HN 1.339 nan 8.290 nan 0.000 0.536 441 M N -1.109 118.449 119.600 -0.069 0.000 2.421 441 M HA 0.867 3.219 4.480 -3.548 0.000 0.287 441 M C -0.853 175.471 176.300 0.041 0.000 1.183 441 M CA -0.982 54.278 55.300 -0.066 0.000 0.916 441 M CB 2.255 34.810 32.600 -0.076 0.000 1.701 441 M HN 1.658 nan 8.290 nan 0.000 0.470 442 A N 1.424 124.244 122.820 0.000 0.000 2.350 442 A HA 0.966 3.157 4.320 -3.548 0.000 0.324 442 A C -0.272 177.166 177.584 -0.243 0.000 1.118 442 A CA -0.443 51.546 52.037 -0.080 0.000 0.783 442 A CB 1.504 20.355 19.000 -0.248 0.000 1.236 442 A HN 1.176 nan 8.150 nan 0.000 0.457 443 G N 0.419 108.769 108.800 -0.750 0.000 2.626 443 G HA2 0.515 2.346 3.960 -3.548 0.000 0.304 443 G HA3 0.515 2.346 3.960 -3.548 0.000 0.304 443 G C -0.904 173.434 174.900 -0.937 0.000 1.385 443 G CA -0.362 43.914 45.100 -1.373 0.000 0.957 443 G HN 0.770 nan 8.290 nan 0.000 0.504 444 V N 4.666 124.098 119.914 -0.804 0.000 2.352 444 V HA 0.088 2.079 4.120 -3.548 0.000 0.253 444 V C 1.448 177.021 176.094 -0.867 0.000 1.083 444 V CA -0.037 61.732 62.300 -0.886 0.000 0.993 444 V CB -0.231 30.924 31.823 -1.113 0.000 1.111 444 V HN 0.775 nan 8.190 nan 0.000 0.490 445 I N 0.922 120.965 120.570 -0.880 0.000 2.867 445 I HA 0.177 2.218 4.170 -3.548 0.000 0.265 445 I C 1.001 176.725 176.117 -0.656 0.000 1.162 445 I CA 0.236 61.033 61.300 -0.838 0.000 1.471 445 I CB -0.467 36.799 38.000 -1.223 0.000 1.123 445 I HN 0.645 nan 8.210 nan 0.000 0.440 446 N N 2.416 120.722 118.700 -0.658 0.000 2.707 446 N HA -0.133 2.479 4.740 -3.548 0.000 0.253 446 N C -2.145 173.231 175.510 -0.223 0.000 0.998 446 N CA -0.108 52.702 53.050 -0.400 0.000 0.751 446 N CB -1.271 36.958 38.487 -0.429 0.000 0.920 446 N HN 0.489 nan 8.380 nan 0.000 0.539 447 P HA 0.305 nan 4.420 nan 0.000 0.277 447 P C 0.582 177.913 177.300 0.052 0.000 1.276 447 P CA 0.093 63.230 63.100 0.063 0.000 0.788 447 P CB 1.101 32.962 31.700 0.269 0.000 1.114 448 G N -1.693 107.156 108.800 0.081 0.000 2.706 448 G HA2 0.393 2.224 3.960 -3.548 0.000 0.307 448 G HA3 0.393 2.224 3.960 -3.548 0.000 0.307 448 G C 0.433 175.281 174.900 -0.087 0.000 1.307 448 G CA 0.058 45.134 45.100 -0.040 0.000 0.790 448 G HN 0.449 nan 8.290 nan 0.000 0.503 449 T N -1.206 113.270 114.554 -0.130 0.000 3.163 449 T HA 0.109 2.330 4.350 -3.548 0.000 0.260 449 T C 0.296 174.906 174.700 -0.150 0.000 1.156 449 T CA 0.551 62.544 62.100 -0.179 0.000 1.072 449 T CB -0.258 68.526 68.868 -0.140 0.000 0.937 449 T HN 0.241 nan 8.240 nan 0.000 0.528 450 D N 1.869 122.225 120.400 -0.074 0.000 2.478 450 D HA 0.117 2.628 4.640 -3.548 0.000 0.234 450 D C 1.272 177.520 176.300 -0.086 0.000 1.154 450 D CA -0.164 53.817 54.000 -0.031 0.000 0.874 450 D CB 0.611 41.441 40.800 0.050 0.000 1.198 450 D HN 0.057 nan 8.370 nan 0.000 0.455 451 R N 2.182 122.655 120.500 -0.045 0.000 2.117 451 R HA -0.166 2.045 4.340 -3.548 0.000 0.243 451 R C 1.003 177.322 176.300 0.031 0.000 1.143 451 R CA 1.560 57.641 56.100 -0.032 0.000 0.968 451 R CB -0.295 30.009 30.300 0.006 0.000 0.863 451 R HN 0.507 nan 8.270 nan 0.000 0.444 452 N N -1.364 117.399 118.700 0.104 0.000 2.276 452 N HA -0.038 2.573 4.740 -3.548 0.000 0.212 452 N C -0.210 175.556 175.510 0.426 0.000 1.127 452 N CA 0.515 53.714 53.050 0.248 0.000 0.834 452 N CB -0.362 38.248 38.487 0.206 0.000 1.014 452 N HN 0.390 nan 8.380 nan 0.000 0.491 453 W N -0.910 120.452 121.300 0.104 0.000 1.135 453 W HA -0.328 2.208 4.660 -3.540 0.000 0.224 453 W C 1.411 178.047 176.519 0.194 0.000 0.934 453 W CA 2.009 59.442 57.345 0.145 0.000 0.370 453 W CB -1.976 27.582 29.460 0.162 0.000 1.931 453 W HN 0.460 nan 8.180 nan 0.000 1.394 454 T N -4.002 110.809 114.554 0.428 0.000 3.040 454 T HA 0.583 2.805 4.350 -3.548 0.000 0.266 454 T C 1.564 176.443 174.700 0.298 0.000 1.005 454 T CA 1.187 63.501 62.100 0.357 0.000 0.906 454 T CB 0.498 69.603 68.868 0.396 0.000 1.082 454 T HN 1.357 nan 8.240 nan 0.000 0.531 455 G N 1.964 110.921 108.800 0.263 0.000 5.426 455 G HA2 -0.332 1.499 3.960 -3.548 0.000 0.297 455 G HA3 -0.332 1.499 3.960 -3.548 0.000 0.297 455 G C -0.008 175.049 174.900 0.262 0.000 1.422 455 G CA 0.200 45.445 45.100 0.241 0.000 0.938 455 G HN 0.956 nan 8.290 nan 0.000 0.754 456 H N 3.767 122.972 119.070 0.225 0.000 2.690 456 H HA 0.464 2.893 4.556 -3.545 0.000 0.314 456 H C -0.998 174.491 175.328 0.269 0.000 1.069 456 H CA -1.119 55.069 56.048 0.233 0.000 1.436 456 H CB 1.671 31.570 29.762 0.228 0.000 1.462 456 H HN 0.137 nan 8.280 nan 0.000 0.511 457 P HA -0.207 nan 4.420 nan 0.000 0.216 457 P C 0.585 178.178 177.300 0.489 0.000 1.150 457 P CA 1.294 64.649 63.100 0.425 0.000 0.843 457 P CB 0.085 32.012 31.700 0.380 0.000 0.787 458 F N -1.663 118.628 119.950 0.567 0.000 2.661 458 F HA -0.051 2.344 4.527 -3.553 0.000 0.298 458 F C 2.098 177.902 175.800 0.005 0.000 1.137 458 F CA 0.522 58.650 58.000 0.213 0.000 1.454 458 F CB -0.967 38.064 39.000 0.052 0.000 1.103 458 F HN -0.270 nan 8.300 nan 0.000 0.577 459 V N -0.292 119.768 119.914 0.244 0.000 2.594 459 V HA -0.300 1.691 4.120 -3.548 0.000 0.253 459 V C 2.107 178.323 176.094 0.204 0.000 1.069 459 V CA 1.634 64.034 62.300 0.167 0.000 1.082 459 V CB -0.701 31.248 31.823 0.210 0.000 0.680 459 V HN 0.371 nan 8.190 nan 0.000 0.469 460 Q N 0.566 120.523 119.800 0.262 0.000 2.152 460 Q HA -0.228 1.983 4.340 -3.548 0.000 0.206 460 Q C 2.466 178.490 176.000 0.040 0.000 0.985 460 Q CA 2.089 58.106 55.803 0.358 0.000 0.863 460 Q CB -0.396 28.657 28.738 0.527 0.000 0.904 460 Q HN 0.818 nan 8.270 nan 0.000 0.422 461 S N -0.231 115.054 115.700 -0.692 0.000 2.399 461 S HA -0.110 2.231 4.470 -3.548 0.000 0.231 461 S C 2.035 176.484 174.600 -0.251 0.000 1.022 461 S CA 1.296 58.695 58.200 -1.335 0.000 0.983 461 S CB -0.178 61.863 63.200 -1.931 0.000 0.803 461 S HN 0.171 nan 8.310 nan 0.000 0.480 462 S N 0.539 116.233 115.700 -0.010 0.000 2.371 462 S HA -0.016 2.325 4.470 -3.548 0.000 0.224 462 S C 1.285 176.057 174.600 0.286 0.000 1.029 462 S CA 0.833 59.094 58.200 0.101 0.000 0.978 462 S CB -0.588 62.603 63.200 -0.014 0.000 0.833 462 S HN 0.782 nan 8.310 nan 0.000 0.466 463 W N 1.869 123.212 121.300 0.072 0.000 2.358 463 W HA -0.168 2.370 4.660 -3.538 0.000 0.303 463 W C 2.007 178.567 176.519 0.068 0.000 1.208 463 W CA 0.916 58.333 57.345 0.120 0.000 1.274 463 W CB -1.240 28.330 29.460 0.183 0.000 1.138 463 W HN 0.386 nan 8.180 nan 0.000 0.515 464 Y N 1.184 121.445 120.300 -0.065 0.000 2.097 464 Y HA -0.219 2.207 4.550 -3.540 0.000 0.282 464 Y C 2.623 178.388 175.900 -0.225 0.000 1.152 464 Y CA 3.489 61.254 58.100 -0.558 0.000 1.136 464 Y CB -1.029 36.940 38.460 -0.819 0.000 0.975 464 Y HN -0.067 nan 8.280 nan 0.000 0.498 465 A N -0.128 122.718 122.820 0.044 0.000 1.902 465 A HA -0.231 1.960 4.320 -3.548 0.000 0.217 465 A C 2.191 179.784 177.584 0.015 0.000 1.181 465 A CA 1.596 53.668 52.037 0.059 0.000 0.623 465 A CB -1.608 17.502 19.000 0.183 0.000 0.818 465 A HN 0.673 nan 8.150 nan 0.000 0.443 466 F N 1.264 121.224 119.950 0.016 0.000 2.065 466 F HA -0.116 4.151 4.527 -0.433 0.000 0.298 466 F C 2.265 177.978 175.800 -0.145 0.000 1.112 466 F CA 1.854 59.758 58.000 -0.160 0.000 1.212 466 F CB -0.806 38.070 39.000 -0.207 0.000 0.975 466 F HN 0.179 nan 8.300 nan 0.000 0.476 467 G N 0.418 109.054 108.800 -0.274 0.000 2.402 467 G HA2 -0.193 1.638 3.960 -3.548 0.000 0.216 467 G HA3 -0.193 1.638 3.960 -3.548 0.000 0.216 467 G C 1.772 176.422 174.900 -0.417 0.000 1.162 467 G CA 0.467 45.343 45.100 -0.372 0.000 0.777 467 G HN 0.205 nan 8.290 nan 0.000 0.539 468 R N 0.022 120.235 120.500 -0.480 0.000 2.081 468 R HA 0.067 2.279 4.340 -3.548 0.000 0.235 468 R C 2.566 178.736 176.300 -0.216 0.000 1.131 468 R CA 1.052 56.914 56.100 -0.397 0.000 0.960 468 R CB -0.712 29.312 30.300 -0.460 0.000 0.856 468 R HN 0.422 nan 8.270 nan 0.000 0.436 469 M N -0.198 119.257 119.600 -0.242 0.000 2.349 469 M HA 0.029 2.381 4.480 -3.548 0.000 0.266 469 M C 2.291 178.475 176.300 -0.194 0.000 1.076 469 M CA 1.203 56.405 55.300 -0.163 0.000 1.126 469 M CB -0.190 32.341 32.600 -0.115 0.000 1.392 469 M HN 0.107 nan 8.290 nan 0.000 0.440 470 A N 0.126 122.711 122.820 -0.391 0.000 1.969 470 A HA -0.191 2.000 4.320 -3.548 0.000 0.218 470 A C 2.014 179.501 177.584 -0.160 0.000 1.169 470 A CA 1.003 52.824 52.037 -0.360 0.000 0.635 470 A CB -0.968 17.680 19.000 -0.586 0.000 0.810 470 A HN 0.781 nan 8.150 nan 0.000 0.445 471 W N 0.314 121.437 121.300 -0.296 0.000 2.409 471 W HA 0.010 2.530 4.660 -3.567 0.000 0.299 471 W C -0.717 175.686 176.519 -0.194 0.000 1.203 471 W CA 1.710 58.913 57.345 -0.237 0.000 1.298 471 W CB 0.144 29.445 29.460 -0.265 0.000 1.127 471 W HN 0.350 nan 8.180 nan 0.000 0.528 472 D N -0.997 119.418 120.400 0.025 0.000 2.386 472 D HA 0.031 2.542 4.640 -3.548 0.000 0.247 472 D C 1.063 177.283 176.300 -0.133 0.000 1.336 472 D CA -0.319 53.619 54.000 -0.104 0.000 0.976 472 D CB 0.161 40.960 40.800 -0.002 0.000 1.257 472 D HN 0.249 nan 8.370 nan 0.000 0.570 473 H N 1.911 120.930 119.070 -0.084 0.000 2.559 473 H HA 0.044 2.467 4.556 -3.555 0.000 0.273 473 H C 0.252 175.549 175.328 -0.053 0.000 1.000 473 H CA 0.416 56.419 56.048 -0.075 0.000 1.195 473 H CB 0.376 30.087 29.762 -0.086 0.000 1.368 473 H HN 0.425 nan 8.280 nan 0.000 0.592 474 Q N 0.809 120.468 119.800 -0.235 0.000 2.360 474 Q HA 0.253 2.464 4.340 -3.548 0.000 0.202 474 Q C 0.355 176.321 176.000 -0.057 0.000 0.915 474 Q CA -0.309 55.431 55.803 -0.106 0.000 0.943 474 Q CB 0.704 29.342 28.738 -0.167 0.000 1.064 474 Q HN 0.456 nan 8.270 nan 0.000 0.511 475 I N 2.221 122.758 120.570 -0.055 0.000 2.648 475 I HA -0.071 1.970 4.170 -3.548 0.000 0.284 475 I C 0.797 176.911 176.117 -0.006 0.000 1.153 475 I CA -0.020 61.264 61.300 -0.028 0.000 1.426 475 I CB 0.711 38.688 38.000 -0.038 0.000 1.381 475 I HN 0.095 nan 8.210 nan 0.000 0.571 476 S N 4.969 120.674 115.700 0.010 0.000 2.617 476 S HA 0.402 2.743 4.470 -3.548 0.000 0.269 476 S C 1.058 175.683 174.600 0.041 0.000 1.292 476 S CA -0.290 57.921 58.200 0.019 0.000 1.010 476 S CB 1.759 64.975 63.200 0.025 0.000 0.944 476 S HN 0.723 nan 8.310 nan 0.000 0.536 477 A N 2.004 124.841 122.820 0.028 0.000 1.940 477 A HA 0.110 2.302 4.320 -3.548 0.000 0.219 477 A C 2.357 180.060 177.584 0.199 0.000 1.176 477 A CA 1.830 53.915 52.037 0.080 0.000 0.631 477 A CB -1.636 17.331 19.000 -0.054 0.000 0.814 477 A HN 1.341 nan 8.150 nan 0.000 0.446 478 A N -1.113 121.780 122.820 0.121 0.000 1.877 478 A HA -0.075 2.116 4.320 -3.548 0.000 0.216 478 A C 2.315 179.959 177.584 0.101 0.000 1.186 478 A CA 2.263 54.364 52.037 0.107 0.000 0.620 478 A CB -1.272 17.769 19.000 0.068 0.000 0.822 478 A HN 0.419 nan 8.150 nan 0.000 0.443 479 T N 0.323 114.931 114.554 0.089 0.000 2.708 479 T HA -0.051 2.170 4.350 -3.548 0.000 0.266 479 T C 2.214 176.986 174.700 0.120 0.000 1.037 479 T CA 1.698 63.850 62.100 0.088 0.000 1.146 479 T CB -0.455 68.450 68.868 0.062 0.000 0.865 479 T HN 0.595 nan 8.240 nan 0.000 0.435 480 A N 1.272 124.182 122.820 0.150 0.000 1.933 480 A HA 0.179 2.370 4.320 -3.548 0.000 0.218 480 A C 2.613 180.335 177.584 0.231 0.000 1.175 480 A CA 1.792 53.975 52.037 0.243 0.000 0.628 480 A CB -1.004 18.139 19.000 0.238 0.000 0.814 480 A HN 0.507 nan 8.150 nan 0.000 0.444 481 A N -0.293 122.612 122.820 0.141 0.000 1.898 481 A HA -0.197 1.994 4.320 -3.548 0.000 0.216 481 A C 1.971 179.607 177.584 0.087 0.000 1.181 481 A CA 1.765 53.793 52.037 -0.014 0.000 0.620 481 A CB -0.593 18.320 19.000 -0.145 0.000 0.819 481 A HN 0.595 nan 8.150 nan 0.000 0.442 482 D N -0.355 120.099 120.400 0.089 0.000 2.104 482 D HA -0.188 2.323 4.640 -3.548 0.000 0.194 482 D C 1.804 178.155 176.300 0.085 0.000 0.994 482 D CA 1.670 55.723 54.000 0.089 0.000 0.830 482 D CB -0.088 40.766 40.800 0.091 0.000 0.959 482 D HN 0.639 nan 8.370 nan 0.000 0.452 483 E N -0.364 119.888 120.200 0.086 0.000 2.038 483 E HA -0.194 2.027 4.350 -3.548 0.000 0.195 483 E C 1.943 178.456 176.600 -0.144 0.000 1.000 483 E CA 1.098 57.516 56.400 0.031 0.000 0.803 483 E CB -0.377 29.386 29.700 0.106 0.000 0.750 483 E HN 0.424 nan 8.360 nan 0.000 0.448 484 W N 1.521 122.526 121.300 -0.490 0.000 2.358 484 W HA -0.140 2.406 4.660 -3.524 0.000 0.303 484 W C 1.761 178.115 176.519 -0.275 0.000 1.208 484 W CA 1.251 58.168 57.345 -0.714 0.000 1.274 484 W CB -0.206 28.805 29.460 -0.749 0.000 1.138 484 W HN -0.036 nan 8.180 nan 0.000 0.515 485 L N 0.285 121.500 121.223 -0.013 0.000 2.046 485 L HA -0.184 2.028 4.340 -3.548 0.000 0.208 485 L C 2.699 179.576 176.870 0.013 0.000 1.077 485 L CA 1.591 56.461 54.840 0.050 0.000 0.747 485 L CB -0.818 41.400 42.059 0.265 0.000 0.896 485 L HN -0.087 nan 8.230 nan 0.000 0.432 486 R N -0.452 120.046 120.500 -0.003 0.000 2.081 486 R HA -0.126 2.085 4.340 -3.548 0.000 0.235 486 R C 2.266 178.508 176.300 -0.097 0.000 1.131 486 R CA 1.444 57.543 56.100 -0.002 0.000 0.960 486 R CB -0.289 30.032 30.300 0.036 0.000 0.856 486 R HN 0.332 nan 8.270 nan 0.000 0.436 487 M N -0.777 118.705 119.600 -0.196 0.000 2.254 487 M HA -0.056 2.295 4.480 -3.548 0.000 0.265 487 M C 1.711 177.799 176.300 -0.353 0.000 1.066 487 M CA 1.408 56.577 55.300 -0.219 0.000 1.123 487 M CB 0.170 32.651 32.600 -0.198 0.000 1.388 487 M HN 0.060 nan 8.290 nan 0.000 0.425 488 T N -0.876 113.317 114.554 -0.602 0.000 3.010 488 T HA 0.133 2.354 4.350 -3.548 0.000 0.252 488 T C 0.960 175.152 174.700 -0.846 0.000 1.047 488 T CA 0.873 62.440 62.100 -0.888 0.000 1.140 488 T CB 0.141 68.031 68.868 -1.629 0.000 0.885 488 T HN 0.154 nan 8.240 nan 0.000 0.464 489 F N 0.274 120.023 119.950 -0.335 0.000 2.463 489 F HA 0.524 2.921 4.527 -3.550 0.000 0.271 489 F C 0.827 176.440 175.800 -0.312 0.000 0.888 489 F CA -0.328 57.511 58.000 -0.269 0.000 1.149 489 F CB 0.467 39.357 39.000 -0.183 0.000 1.071 489 F HN -0.030 nan 8.300 nan 0.000 0.802 490 S N -0.774 114.887 115.700 -0.066 0.000 2.580 490 S HA 0.265 2.606 4.470 -3.548 0.000 0.281 490 S C -0.810 173.788 174.600 -0.004 0.000 1.129 490 S CA -0.684 57.431 58.200 -0.143 0.000 0.862 490 S CB 0.692 63.600 63.200 -0.487 0.000 1.090 490 S HN 0.179 nan 8.310 nan 0.000 0.451 491 N N 1.680 120.377 118.700 -0.005 0.000 2.270 491 N HA 0.068 2.680 4.740 -3.548 0.000 0.198 491 N C -0.498 175.020 175.510 0.014 0.000 1.117 491 N CA -0.032 53.034 53.050 0.027 0.000 0.845 491 N CB 0.316 38.818 38.487 0.025 0.000 0.980 491 N HN 0.545 nan 8.380 nan 0.000 0.486 492 Q N 1.109 120.897 119.800 -0.019 0.000 2.271 492 Q HA 0.077 2.288 4.340 -3.548 0.000 0.273 492 Q C -1.476 174.484 176.000 -0.066 0.000 1.051 492 Q CA -1.168 54.596 55.803 -0.065 0.000 0.901 492 Q CB 1.009 29.643 28.738 -0.173 0.000 1.174 492 Q HN 0.144 nan 8.270 nan 0.000 0.385 493 P HA -0.152 nan 4.420 nan 0.000 0.218 493 P C 0.748 178.000 177.300 -0.080 0.000 1.148 493 P CA 1.477 64.552 63.100 -0.042 0.000 0.822 493 P CB 0.251 31.935 31.700 -0.027 0.000 0.784 494 A N -1.738 121.003 122.820 -0.130 0.000 2.067 494 A HA -0.129 2.063 4.320 -3.548 0.000 0.219 494 A C 1.978 179.425 177.584 -0.229 0.000 1.158 494 A CA 0.942 52.898 52.037 -0.135 0.000 0.661 494 A CB -1.579 17.392 19.000 -0.048 0.000 0.801 494 A HN 0.196 nan 8.150 nan 0.000 0.452 495 F N 0.369 119.972 119.950 -0.578 0.000 2.179 495 F HA 0.019 2.416 4.527 -3.550 0.000 0.292 495 F C 1.887 177.575 175.800 -0.186 0.000 1.089 495 F CA 0.895 58.604 58.000 -0.486 0.000 1.295 495 F CB -0.045 38.565 39.000 -0.651 0.000 1.041 495 F HN 0.084 nan 8.300 nan 0.000 0.487 496 I N 0.895 121.393 120.570 -0.120 0.000 2.163 496 I HA -0.270 1.771 4.170 -3.548 0.000 0.243 496 I C 2.368 178.381 176.117 -0.174 0.000 1.085 496 I CA 1.859 63.077 61.300 -0.137 0.000 1.347 496 I CB -1.344 36.670 38.000 0.022 0.000 1.044 496 I HN 0.275 nan 8.210 nan 0.000 0.408 497 E N 1.726 121.855 120.200 -0.118 0.000 2.017 497 E HA -0.157 2.064 4.350 -3.548 0.000 0.193 497 E C -0.633 175.909 176.600 -0.097 0.000 0.997 497 E CA 1.836 58.188 56.400 -0.079 0.000 0.804 497 E CB -1.191 28.480 29.700 -0.048 0.000 0.757 497 E HN 0.269 nan 8.360 nan 0.000 0.448 498 P HA -0.106 nan 4.420 nan 0.000 0.217 498 P C 1.446 178.678 177.300 -0.113 0.000 1.150 498 P CA 1.093 64.138 63.100 -0.091 0.000 0.832 498 P CB 0.035 31.694 31.700 -0.068 0.000 0.787 499 V N 0.883 120.652 119.914 -0.242 0.000 2.548 499 V HA -0.175 1.817 4.120 -3.548 0.000 0.249 499 V C 2.848 178.894 176.094 -0.079 0.000 1.055 499 V CA 1.769 63.952 62.300 -0.196 0.000 1.065 499 V CB -1.171 30.331 31.823 -0.536 0.000 0.681 499 V HN 0.140 nan 8.190 nan 0.000 0.462 500 K N -0.182 120.161 120.400 -0.095 0.000 2.026 500 K HA -0.216 1.975 4.320 -3.548 0.000 0.208 500 K C 2.311 178.905 176.600 -0.009 0.000 1.048 500 K CA 1.438 57.708 56.287 -0.029 0.000 0.929 500 K CB -0.095 32.393 32.500 -0.020 0.000 0.713 500 K HN 0.339 nan 8.250 nan 0.000 0.439 501 Q N 0.343 120.133 119.800 -0.017 0.000 2.124 501 Q HA -0.194 2.017 4.340 -3.548 0.000 0.202 501 Q C 2.017 178.017 176.000 -0.000 0.000 0.977 501 Q CA 1.515 57.317 55.803 -0.002 0.000 0.850 501 Q CB -0.285 28.450 28.738 -0.005 0.000 0.901 501 Q HN 0.497 nan 8.270 nan 0.000 0.429 502 M N -0.343 119.251 119.600 -0.011 0.000 2.080 502 M HA -0.183 2.169 4.480 -3.548 0.000 0.260 502 M C 2.037 178.317 176.300 -0.032 0.000 1.068 502 M CA 1.428 56.715 55.300 -0.021 0.000 1.109 502 M CB -0.010 32.577 32.600 -0.021 0.000 1.342 502 M HN 0.178 nan 8.290 nan 0.000 0.405 503 M N 0.077 119.668 119.600 -0.014 0.000 2.117 503 M HA -0.210 2.141 4.480 -3.548 0.000 0.262 503 M C 1.985 178.360 176.300 0.124 0.000 1.065 503 M CA 1.516 56.825 55.300 0.015 0.000 1.114 503 M CB -0.427 32.128 32.600 -0.075 0.000 1.361 503 M HN 0.333 nan 8.290 nan 0.000 0.408 504 L N -1.082 120.204 121.223 0.103 0.000 2.201 504 L HA -0.125 2.086 4.340 -3.548 0.000 0.212 504 L C 2.329 179.214 176.870 0.025 0.000 1.105 504 L CA 0.444 55.344 54.840 0.101 0.000 0.775 504 L CB -0.474 41.628 42.059 0.072 0.000 0.913 504 L HN 0.162 nan 8.230 nan 0.000 0.440 505 V N -0.748 119.171 119.914 0.009 0.000 3.235 505 V HA -0.137 1.855 4.120 -3.548 0.000 0.259 505 V C 2.514 178.595 176.094 -0.022 0.000 1.133 505 V CA 1.356 63.651 62.300 -0.009 0.000 1.128 505 V CB 0.214 32.036 31.823 -0.002 0.000 0.757 505 V HN 0.624 nan 8.190 nan 0.000 0.469 506 S N 0.510 116.193 115.700 -0.028 0.000 2.383 506 S HA -0.267 2.075 4.470 -3.548 0.000 0.229 506 S C 2.186 176.753 174.600 -0.054 0.000 1.030 506 S CA 1.387 59.562 58.200 -0.042 0.000 1.002 506 S CB -0.645 62.509 63.200 -0.077 0.000 0.829 506 S HN 0.577 nan 8.310 nan 0.000 0.467 507 R N 1.596 122.025 120.500 -0.118 0.000 2.083 507 R HA -0.083 2.129 4.340 -3.548 0.000 0.237 507 R C 2.240 178.531 176.300 -0.016 0.000 1.137 507 R CA 2.204 58.219 56.100 -0.142 0.000 0.951 507 R CB -0.947 29.187 30.300 -0.277 0.000 0.851 507 R HN 0.539 nan 8.270 nan 0.000 0.434 508 E N 0.123 120.292 120.200 -0.052 0.000 2.110 508 E HA -0.055 2.167 4.350 -3.548 0.000 0.193 508 E C 1.762 178.304 176.600 -0.096 0.000 0.988 508 E CA 1.480 57.843 56.400 -0.061 0.000 0.804 508 E CB -0.243 29.428 29.700 -0.048 0.000 0.745 508 E HN 0.419 nan 8.360 nan 0.000 0.458 509 A N 0.070 122.855 122.820 -0.058 0.000 1.908 509 A HA -0.112 2.079 4.320 -3.548 0.000 0.218 509 A C 2.451 179.856 177.584 -0.298 0.000 1.181 509 A CA 1.847 53.862 52.037 -0.037 0.000 0.627 509 A CB -1.319 17.736 19.000 0.092 0.000 0.818 509 A HN 0.406 nan 8.150 nan 0.000 0.445 510 G N -0.827 107.802 108.800 -0.285 0.000 2.432 510 G HA2 -0.057 1.775 3.960 -3.548 0.000 0.219 510 G HA3 -0.057 1.775 3.960 -3.548 0.000 0.219 510 G C 1.468 175.886 174.900 -0.802 0.000 1.135 510 G CA 1.156 45.887 45.100 -0.615 0.000 0.767 510 G HN 0.323 nan 8.290 nan 0.000 0.550 511 V N 1.057 120.706 119.914 -0.441 0.000 2.307 511 V HA -0.205 1.787 4.120 -3.548 0.000 0.245 511 V C 2.506 178.281 176.094 -0.532 0.000 1.045 511 V CA 2.094 64.140 62.300 -0.423 0.000 1.024 511 V CB -0.702 30.992 31.823 -0.214 0.000 0.651 511 V HN 0.435 nan 8.190 nan 0.000 0.449 512 N N -0.385 118.035 118.700 -0.466 0.000 2.120 512 N HA -0.185 2.426 4.740 -3.548 0.000 0.188 512 N C 1.582 176.810 175.510 -0.469 0.000 1.024 512 N CA 1.739 54.554 53.050 -0.392 0.000 0.852 512 N CB -0.125 38.243 38.487 -0.198 0.000 1.003 512 N HN 0.800 nan 8.380 nan 0.000 0.424 513 Y N -0.878 119.258 120.300 -0.274 0.000 2.524 513 Y HA 0.448 2.870 4.550 -3.547 0.000 0.266 513 Y C 1.459 177.322 175.900 -0.062 0.000 1.180 513 Y CA -0.569 57.467 58.100 -0.106 0.000 1.244 513 Y CB -0.118 38.318 38.460 -0.039 0.000 1.125 513 Y HN -0.144 nan 8.280 nan 0.000 0.524 514 R N 0.749 120.898 120.500 -0.585 0.000 2.102 514 R HA 0.261 2.472 4.340 -3.548 0.000 0.208 514 R C -0.227 175.980 176.300 -0.155 0.000 1.131 514 R CA 1.081 56.852 56.100 -0.547 0.000 1.054 514 R CB 0.296 29.894 30.300 -1.171 0.000 0.954 514 R HN 0.321 nan 8.270 nan 0.000 0.465 515 S N 0.405 115.864 115.700 -0.402 0.000 2.828 515 S HA 0.226 2.568 4.470 -3.548 0.000 0.149 515 S C -2.830 171.568 174.600 -0.336 0.000 0.924 515 S CA -1.231 56.814 58.200 -0.260 0.000 1.044 515 S CB 1.492 64.588 63.200 -0.175 0.000 1.595 515 S HN -0.041 nan 8.310 nan 0.000 0.454 516 P HA 0.513 nan 4.420 nan 0.000 0.277 516 P C 0.670 177.838 177.300 -0.220 0.000 1.271 516 P CA -0.377 62.530 63.100 -0.321 0.000 0.795 516 P CB 0.422 31.892 31.700 -0.384 0.000 1.101 517 L N -2.177 118.956 121.223 -0.150 0.000 4.496 517 L HA -0.291 1.920 4.340 -3.548 0.000 0.419 517 L C 1.159 177.950 176.870 -0.131 0.000 1.139 517 L CA 0.677 55.451 54.840 -0.110 0.000 0.975 517 L CB -2.596 39.403 42.059 -0.101 0.000 2.099 517 L HN 0.859 nan 8.230 nan 0.000 0.818 518 G N -1.094 107.613 108.800 -0.155 0.000 2.176 518 G HA2 -0.261 1.570 3.960 -3.548 0.000 0.232 518 G HA3 -0.261 1.570 3.960 -3.548 0.000 0.232 518 G C 0.268 174.773 174.900 -0.658 0.000 0.986 518 G CA 0.190 45.095 45.100 -0.324 0.000 0.643 518 G HN 0.256 nan 8.290 nan 0.000 0.522 519 L N 0.253 121.245 121.223 -0.384 0.000 2.479 519 L HA 0.616 2.828 4.340 -3.548 0.000 0.270 519 L C 0.938 177.575 176.870 -0.388 0.000 1.236 519 L CA 0.997 55.647 54.840 -0.318 0.000 0.823 519 L CB 1.096 43.080 42.059 -0.125 0.000 1.098 519 L HN 0.269 nan 8.230 nan 0.000 0.500 520 T N -0.922 113.458 114.554 -0.290 0.000 2.775 520 T HA 0.187 2.409 4.350 -3.548 0.000 0.320 520 T C -0.507 174.137 174.700 -0.093 0.000 1.597 520 T CA -0.458 61.482 62.100 -0.266 0.000 1.022 520 T CB 0.532 69.055 68.868 -0.574 0.000 1.485 520 T HN 0.785 nan 8.240 nan 0.000 0.494 521 H N 1.862 120.810 119.070 -0.202 0.000 2.756 521 H HA -0.099 2.328 4.556 -3.548 0.000 0.315 521 H C 0.008 175.347 175.328 0.019 0.000 1.210 521 H CA 1.025 56.978 56.048 -0.158 0.000 1.150 521 H CB -1.137 28.222 29.762 -0.671 0.000 1.463 521 H HN 0.478 nan 8.280 nan 0.000 0.427 522 L N 0.502 121.729 121.223 0.005 0.000 2.700 522 L HA 0.137 2.348 4.340 -3.548 0.000 0.234 522 L C 0.618 177.368 176.870 -0.199 0.000 1.156 522 L CA -0.101 54.717 54.840 -0.037 0.000 0.946 522 L CB -0.021 42.056 42.059 0.031 0.000 1.216 522 L HN 0.102 nan 8.230 nan 0.000 0.493 523 Y N 0.262 120.559 120.300 -0.005 0.000 2.326 523 Y HA 0.055 2.478 4.550 -3.544 0.000 0.333 523 Y C 1.368 177.228 175.900 -0.067 0.000 1.240 523 Y CA 0.101 58.219 58.100 0.029 0.000 1.365 523 Y CB 0.655 39.203 38.460 0.147 0.000 1.289 523 Y HN -0.115 nan 8.280 nan 0.000 0.548 524 S N 2.649 118.381 115.700 0.052 0.000 2.546 524 S HA -0.001 2.341 4.470 -3.548 0.000 0.290 524 S C -0.437 174.262 174.600 0.164 0.000 1.290 524 S CA -0.718 57.504 58.200 0.037 0.000 1.069 524 S CB 0.009 63.212 63.200 0.004 0.000 0.846 524 S HN 0.462 nan 8.310 nan 0.000 0.495 525 Q N 3.067 122.936 119.800 0.116 0.000 2.274 525 Q HA 0.409 2.620 4.340 -3.548 0.000 0.260 525 Q C 0.821 176.823 176.000 0.002 0.000 0.974 525 Q CA -0.251 55.613 55.803 0.102 0.000 0.876 525 Q CB 1.668 30.513 28.738 0.179 0.000 1.297 525 Q HN 0.884 nan 8.270 nan 0.000 0.446 526 G N 1.260 109.999 108.800 -0.101 0.000 3.189 526 G HA2 -0.075 1.757 3.960 -3.548 0.000 0.225 526 G HA3 -0.075 1.757 3.960 -3.548 0.000 0.225 526 G C 0.682 175.014 174.900 -0.947 0.000 1.159 526 G CA 0.037 44.945 45.100 -0.320 0.000 0.763 526 G HN 0.688 nan 8.290 nan 0.000 0.549 527 D N 0.222 120.054 120.400 -0.946 0.000 2.183 527 D HA -0.158 2.353 4.640 -3.548 0.000 0.203 527 D C 0.562 176.760 176.300 -0.169 0.000 0.969 527 D CA 0.789 54.258 54.000 -0.885 0.000 0.842 527 D CB -0.392 40.087 40.800 -0.535 0.000 0.957 527 D HN 0.305 nan 8.370 nan 0.000 0.484 528 H N -1.809 117.308 119.070 0.079 0.000 3.080 528 H HA -0.213 2.213 4.556 -3.549 0.000 0.254 528 H C 0.476 175.988 175.328 0.307 0.000 1.179 528 H CA 0.831 56.988 56.048 0.182 0.000 1.144 528 H CB -2.590 27.105 29.762 -0.112 0.000 1.261 528 H HN 0.392 nan 8.280 nan 0.000 0.333 529 Y N 0.847 121.183 120.300 0.059 0.000 2.201 529 Y HA 0.321 2.741 4.550 -3.551 0.000 0.292 529 Y C 1.794 177.718 175.900 0.040 0.000 1.119 529 Y CA 1.478 59.348 58.100 -0.384 0.000 1.127 529 Y CB 0.218 38.273 38.460 -0.675 0.000 1.019 529 Y HN 0.307 nan 8.280 nan 0.000 0.514 530 G N -0.247 108.521 108.800 -0.055 0.000 2.667 530 G HA2 0.474 2.305 3.960 -3.548 0.000 0.310 530 G HA3 0.474 2.305 3.960 -3.548 0.000 0.310 530 G C -2.876 171.461 174.900 -0.938 0.000 1.259 530 G CA -1.793 43.012 45.100 -0.492 0.000 1.019 530 G HN -0.067 nan 8.290 nan 0.000 0.496 531 P HA 0.402 nan 4.420 nan 0.000 0.275 531 P C -0.674 176.028 177.300 -0.996 0.000 1.227 531 P CA -0.064 62.051 63.100 -1.641 0.000 0.781 531 P CB 1.796 32.646 31.700 -1.416 0.000 0.906 532 A N 4.238 126.430 122.820 -1.048 0.000 3.464 532 A HA 0.344 2.535 4.320 -3.548 0.000 0.243 532 A C -1.939 174.781 177.584 -1.440 0.000 1.100 532 A CA -0.676 50.458 52.037 -1.505 0.000 0.957 532 A CB 0.402 18.960 19.000 -0.737 0.000 1.340 532 A HN 0.294 nan 8.150 nan 0.000 0.645 533 P HA -0.090 nan 4.420 nan 0.000 0.233 533 P C 0.885 177.604 177.300 -0.968 0.000 1.167 533 P CA 0.742 63.311 63.100 -0.885 0.000 0.770 533 P CB -0.300 30.873 31.700 -0.878 0.000 0.837 534 W N -0.336 120.445 121.300 -0.865 0.000 3.180 534 W HA 0.232 2.765 4.660 -3.545 0.000 0.254 534 W C 0.040 176.491 176.519 -0.115 0.000 1.318 534 W CA -0.273 56.717 57.345 -0.591 0.000 1.608 534 W CB -2.080 27.162 29.460 -0.362 0.000 1.124 534 W HN -0.317 nan 8.180 nan 0.000 0.694 535 T N 3.021 117.494 114.554 -0.135 0.000 2.866 535 T HA 0.043 2.264 4.350 -3.548 0.000 0.293 535 T C -0.309 174.495 174.700 0.173 0.000 1.005 535 T CA 0.802 62.956 62.100 0.090 0.000 1.162 535 T CB 0.274 69.166 68.868 0.040 0.000 0.968 535 T HN 0.123 nan 8.240 nan 0.000 0.530 536 D N 0.569 121.091 120.400 0.204 0.000 2.759 536 D HA 0.209 2.721 4.640 -3.548 0.000 0.321 536 D C -1.046 175.356 176.300 0.171 0.000 1.267 536 D CA -0.501 53.610 54.000 0.185 0.000 0.933 536 D CB 1.318 42.227 40.800 0.182 0.000 1.431 536 D HN 0.422 nan 8.370 nan 0.000 0.504 537 D N 0.408 120.892 120.400 0.140 0.000 2.740 537 D HA -0.190 2.321 4.640 -3.548 0.000 0.231 537 D C -0.213 176.168 176.300 0.134 0.000 1.194 537 D CA 0.733 54.803 54.000 0.117 0.000 0.673 537 D CB -0.966 39.897 40.800 0.105 0.000 0.995 537 D HN 0.251 nan 8.370 nan 0.000 0.411 538 L N -0.125 121.189 121.223 0.153 0.000 2.358 538 L HA 0.289 2.500 4.340 -3.548 0.000 0.268 538 L C -0.879 176.049 176.870 0.095 0.000 1.032 538 L CA -1.990 52.969 54.840 0.198 0.000 0.805 538 L CB 0.934 43.196 42.059 0.337 0.000 1.253 538 L HN -0.207 nan 8.230 nan 0.000 0.452 539 P HA -0.082 nan 4.420 nan 0.000 0.221 539 P C -0.761 176.402 177.300 -0.230 0.000 1.145 539 P CA 1.129 64.187 63.100 -0.070 0.000 0.795 539 P CB 0.114 31.775 31.700 -0.065 0.000 0.775 540 R N -1.756 118.524 120.500 -0.367 0.000 2.575 540 R HA 0.739 2.950 4.340 -3.548 0.000 0.293 540 R C 0.590 176.749 176.300 -0.235 0.000 0.983 540 R CA -0.607 55.233 56.100 -0.433 0.000 0.887 540 R CB 1.217 31.032 30.300 -0.808 0.000 1.184 540 R HN -0.281 nan 8.270 nan 0.000 0.445 541 A N 2.108 124.829 122.820 -0.164 0.000 1.972 541 A HA -0.224 1.967 4.320 -3.548 0.000 0.219 541 A C 1.333 178.719 177.584 -0.331 0.000 1.169 541 A CA 1.831 53.815 52.037 -0.088 0.000 0.635 541 A CB -0.571 18.458 19.000 0.048 0.000 0.810 541 A HN 0.923 nan 8.150 nan 0.000 0.446 542 D N -2.346 117.707 120.400 -0.578 0.000 2.363 542 D HA -0.113 2.399 4.640 -3.548 0.000 0.226 542 D C 0.932 177.231 176.300 -0.001 0.000 1.020 542 D CA 0.131 53.644 54.000 -0.812 0.000 0.892 542 D CB -0.381 40.059 40.800 -0.599 0.000 0.900 542 D HN 0.583 nan 8.370 nan 0.000 0.531 543 W N 1.607 122.908 121.300 0.002 0.000 3.211 543 W HA 0.202 2.735 4.660 -3.546 0.000 0.292 543 W C 0.823 177.566 176.519 0.372 0.000 1.268 543 W CA -0.224 57.271 57.345 0.250 0.000 1.702 543 W CB -0.696 28.907 29.460 0.238 0.000 1.092 543 W HN -0.051 nan 8.180 nan 0.000 0.643 544 T N -2.679 112.139 114.554 0.439 0.000 2.824 544 T HA 0.616 2.838 4.350 -3.548 0.000 0.277 544 T C 1.269 176.268 174.700 0.497 0.000 0.975 544 T CA 0.128 62.466 62.100 0.396 0.000 0.966 544 T CB 2.041 71.065 68.868 0.261 0.000 1.054 544 T HN -0.089 nan 8.240 nan 0.000 0.533 545 A N 0.401 123.442 122.820 0.369 0.000 1.911 545 A HA 0.193 2.384 4.320 -3.548 0.000 0.212 545 A C 2.490 180.159 177.584 0.142 0.000 1.189 545 A CA 1.095 53.352 52.037 0.366 0.000 0.639 545 A CB -1.207 17.910 19.000 0.195 0.000 0.839 545 A HN 1.282 nan 8.150 nan 0.000 0.449 546 V N -2.537 117.368 119.914 -0.016 0.000 2.469 546 V HA -0.300 1.691 4.120 -3.548 0.000 0.251 546 V C 2.277 178.263 176.094 -0.180 0.000 1.064 546 V CA 2.197 64.296 62.300 -0.335 0.000 1.066 546 V CB -1.549 30.277 31.823 0.004 0.000 0.667 546 V HN 0.549 nan 8.190 nan 0.000 0.461 547 Y N 1.099 121.325 120.300 -0.122 0.000 2.193 547 Y HA -0.262 2.159 4.550 -3.548 0.000 0.285 547 Y C 2.230 178.019 175.900 -0.185 0.000 1.166 547 Y CA 2.257 60.243 58.100 -0.191 0.000 1.181 547 Y CB -0.393 37.879 38.460 -0.313 0.000 0.976 547 Y HN 0.348 nan 8.280 nan 0.000 0.520 548 Y N -1.438 118.988 120.300 0.211 0.000 2.347 548 Y HA -0.047 2.377 4.550 -3.545 0.000 0.294 548 Y C 2.482 178.487 175.900 0.175 0.000 1.117 548 Y CA 1.419 59.633 58.100 0.191 0.000 1.184 548 Y CB -0.506 38.013 38.460 0.098 0.000 1.047 548 Y HN 0.411 nan 8.280 nan 0.000 0.546 549 H N -1.741 117.531 119.070 0.336 0.000 2.486 549 H HA 0.266 2.693 4.556 -3.549 0.000 0.287 549 H C 0.670 176.130 175.328 0.219 0.000 1.010 549 H CA 0.157 56.359 56.048 0.258 0.000 1.324 549 H CB -0.299 29.685 29.762 0.371 0.000 1.446 549 H HN -0.066 nan 8.280 nan 0.000 0.537 550 R N 0.009 120.616 120.500 0.178 0.000 3.627 550 R HA -0.155 2.057 4.340 -3.548 0.000 0.281 550 R C -0.288 176.236 176.300 0.373 0.000 1.140 550 R CA 0.286 56.482 56.100 0.160 0.000 0.761 550 R CB -2.112 28.161 30.300 -0.045 0.000 1.181 550 R HN 0.609 nan 8.270 nan 0.000 0.472 551 A N 1.261 124.497 122.820 0.693 0.000 2.477 551 A HA 0.456 2.647 4.320 -3.548 0.000 0.246 551 A C 0.826 178.657 177.584 0.412 0.000 1.078 551 A CA 0.627 52.985 52.037 0.534 0.000 0.770 551 A CB 0.501 19.895 19.000 0.658 0.000 1.011 551 A HN 0.517 nan 8.150 nan 0.000 0.494 552 S N 1.060 116.975 115.700 0.358 0.000 2.794 552 S HA 0.454 2.795 4.470 -3.548 0.000 0.299 552 S C 0.683 175.498 174.600 0.358 0.000 1.179 552 S CA -0.167 58.203 58.200 0.284 0.000 0.838 552 S CB 1.148 64.469 63.200 0.202 0.000 1.206 552 S HN 0.707 nan 8.310 nan 0.000 0.523 553 K N 0.026 120.563 120.400 0.230 0.000 2.280 553 K HA -0.089 2.102 4.320 -3.548 0.000 0.202 553 K C 1.679 178.464 176.600 0.310 0.000 1.047 553 K CA 1.966 58.374 56.287 0.201 0.000 0.942 553 K CB -0.632 31.922 32.500 0.089 0.000 0.739 553 K HN 0.804 nan 8.250 nan 0.000 0.457 554 T N -3.656 111.054 114.554 0.260 0.000 3.040 554 T HA 0.303 2.524 4.350 -3.548 0.000 0.252 554 T C 0.793 175.498 174.700 0.009 0.000 1.064 554 T CA 0.171 62.390 62.100 0.199 0.000 1.110 554 T CB 0.833 69.772 68.868 0.118 0.000 0.921 554 T HN 0.244 nan 8.240 nan 0.000 0.480 555 G N 0.199 108.851 108.800 -0.246 0.000 2.427 555 G HA2 0.590 2.422 3.960 -3.548 0.000 0.306 555 G HA3 0.590 2.422 3.960 -3.548 0.000 0.306 555 G C -2.283 172.041 174.900 -0.959 0.000 1.280 555 G CA -0.582 43.934 45.100 -0.972 0.000 0.837 555 G HN 0.477 nan 8.290 nan 0.000 0.482 556 I N -0.950 118.903 120.570 -1.194 0.000 2.908 556 I HA 0.664 2.705 4.170 -3.548 0.000 0.300 556 I C -0.038 175.758 176.117 -0.536 0.000 1.385 556 I CA 0.631 61.531 61.300 -0.666 0.000 1.004 556 I CB 2.161 39.699 38.000 -0.769 0.000 1.309 556 I HN 2.181 nan 8.210 nan 0.000 0.449 557 G N 3.737 112.495 108.800 -0.070 0.000 2.423 557 G HA2 0.078 1.909 3.960 -3.548 0.000 0.684 557 G HA3 0.078 1.909 3.960 -3.548 0.000 0.684 557 G C -2.079 172.955 174.900 0.223 0.000 1.309 557 G CA -0.640 44.473 45.100 0.022 0.000 0.950 557 G HN 0.686 nan 8.290 nan 0.000 0.587 558 F N 1.396 121.335 119.950 -0.017 0.000 2.460 558 F HA 0.640 3.040 4.527 -3.545 0.000 0.341 558 F C 0.012 175.777 175.800 -0.059 0.000 1.130 558 F CA -1.529 56.439 58.000 -0.054 0.000 0.962 558 F CB 1.829 40.767 39.000 -0.102 0.000 1.171 558 F HN 0.499 nan 8.300 nan 0.000 0.436 559 N N 5.212 123.956 118.700 0.074 0.000 2.399 559 N HA 0.163 2.774 4.740 -3.548 0.000 0.259 559 N C 0.134 175.735 175.510 0.153 0.000 1.160 559 N CA 0.254 53.340 53.050 0.060 0.000 0.946 559 N CB 0.293 38.754 38.487 -0.043 0.000 1.156 559 N HN 0.706 nan 8.380 nan 0.000 0.489 560 R N 1.083 121.661 120.500 0.130 0.000 2.577 560 R HA 0.086 2.297 4.340 -3.548 0.000 0.344 560 R C 0.509 176.819 176.300 0.016 0.000 1.037 560 R CA -0.199 55.960 56.100 0.099 0.000 1.102 560 R CB 0.202 30.531 30.300 0.049 0.000 1.313 560 R HN 0.597 nan 8.270 nan 0.000 0.561 561 T N -1.940 112.595 114.554 -0.033 0.000 2.729 561 T HA 0.143 2.364 4.350 -3.548 0.000 0.298 561 T C 1.241 175.936 174.700 -0.008 0.000 1.013 561 T CA -0.482 61.592 62.100 -0.044 0.000 0.957 561 T CB 1.155 69.993 68.868 -0.051 0.000 1.130 561 T HN -0.069 nan 8.240 nan 0.000 0.526 562 K N 0.093 120.491 120.400 -0.003 0.000 2.211 562 K HA -0.094 2.097 4.320 -3.548 0.000 0.204 562 K C 2.268 178.870 176.600 0.004 0.000 1.047 562 K CA 1.777 58.066 56.287 0.004 0.000 0.935 562 K CB -0.511 31.992 32.500 0.006 0.000 0.728 562 K HN 0.860 nan 8.250 nan 0.000 0.452 563 T N -3.092 111.463 114.554 0.002 0.000 3.129 563 T HA 0.150 2.372 4.350 -3.548 0.000 0.251 563 T C 1.018 175.707 174.700 -0.018 0.000 1.117 563 T CA 0.171 62.268 62.100 -0.004 0.000 1.034 563 T CB 0.587 69.456 68.868 0.001 0.000 0.968 563 T HN 0.184 nan 8.240 nan 0.000 0.526 564 G N 1.472 110.265 108.800 -0.013 0.000 3.407 564 G HA2 0.375 2.206 3.960 -3.548 0.000 0.187 564 G HA3 0.375 2.206 3.960 -3.548 0.000 0.187 564 G C 1.142 176.048 174.900 0.010 0.000 1.262 564 G CA 0.204 45.289 45.100 -0.024 0.000 0.808 564 G HN 0.323 nan 8.290 nan 0.000 0.687 565 S N -0.298 115.439 115.700 0.061 0.000 2.522 565 S HA -0.032 2.310 4.470 -3.548 0.000 0.227 565 S C 1.286 175.929 174.600 0.073 0.000 0.986 565 S CA 1.185 59.442 58.200 0.095 0.000 0.929 565 S CB -0.264 63.056 63.200 0.200 0.000 0.769 565 S HN 0.729 nan 8.310 nan 0.000 0.529 566 N N 0.709 119.439 118.700 0.049 0.000 2.708 566 N HA -0.217 2.394 4.740 -3.548 0.000 0.249 566 N C 0.706 176.239 175.510 0.038 0.000 1.097 566 N CA 0.786 53.855 53.050 0.032 0.000 0.710 566 N CB -1.628 36.874 38.487 0.026 0.000 1.032 566 N HN 0.650 nan 8.380 nan 0.000 0.551 567 A N -0.379 122.470 122.820 0.049 0.000 2.019 567 A HA -0.042 2.150 4.320 -3.548 0.000 0.219 567 A C 2.235 179.871 177.584 0.087 0.000 1.164 567 A CA 1.251 53.333 52.037 0.075 0.000 0.644 567 A CB -0.296 18.743 19.000 0.065 0.000 0.805 567 A HN 0.456 nan 8.150 nan 0.000 0.449 568 L N -0.943 120.315 121.223 0.058 0.000 2.187 568 L HA -0.207 2.005 4.340 -3.548 0.000 0.213 568 L C 2.866 179.775 176.870 0.065 0.000 1.100 568 L CA 0.866 55.753 54.840 0.080 0.000 0.765 568 L CB -0.469 41.545 42.059 -0.074 0.000 0.904 568 L HN 0.452 nan 8.230 nan 0.000 0.437 569 A N -0.652 122.171 122.820 0.005 0.000 2.172 569 A HA -0.171 2.020 4.320 -3.548 0.000 0.216 569 A C 2.077 179.609 177.584 -0.087 0.000 1.154 569 A CA 0.943 52.969 52.037 -0.017 0.000 0.701 569 A CB -0.292 18.707 19.000 -0.001 0.000 0.789 569 A HN 0.515 nan 8.150 nan 0.000 0.465 570 Q N -1.685 117.973 119.800 -0.236 0.000 2.432 570 Q HA 0.043 2.254 4.340 -3.548 0.000 0.205 570 Q C -0.503 175.105 176.000 -0.653 0.000 0.945 570 Q CA 0.277 55.663 55.803 -0.696 0.000 0.924 570 Q CB 0.073 28.112 28.738 -1.165 0.000 1.016 570 Q HN 0.777 nan 8.270 nan 0.000 0.503 571 Y N 0.493 120.655 120.300 -0.231 0.000 2.432 571 Y HA 0.274 2.693 4.550 -3.551 0.000 0.322 571 Y C -1.905 173.959 175.900 -0.061 0.000 1.246 571 Y CA -2.925 55.090 58.100 -0.143 0.000 1.268 571 Y CB 0.196 38.508 38.460 -0.247 0.000 1.276 571 Y HN -0.077 nan 8.280 nan 0.000 0.499 572 P HA -0.052 nan 4.420 nan 0.000 0.268 572 P C 0.745 178.053 177.300 0.012 0.000 1.208 572 P CA 0.025 63.197 63.100 0.119 0.000 0.777 572 P CB 0.734 32.540 31.700 0.175 0.000 0.875 573 E N 3.309 123.502 120.200 -0.013 0.000 2.097 573 E HA -0.193 2.028 4.350 -3.548 0.000 0.196 573 E C -0.928 175.583 176.600 -0.149 0.000 1.000 573 E CA 2.253 58.615 56.400 -0.063 0.000 0.804 573 E CB -1.688 27.987 29.700 -0.041 0.000 0.740 573 E HN 0.343 nan 8.360 nan 0.000 0.454 574 P HA -0.098 nan 4.420 nan 0.000 0.218 574 P C 1.539 178.588 177.300 -0.419 0.000 1.149 574 P CA 0.858 63.723 63.100 -0.393 0.000 0.817 574 P CB 0.010 31.240 31.700 -0.784 0.000 0.785 575 I N -0.377 119.954 120.570 -0.398 0.000 2.233 575 I HA -0.122 1.919 4.170 -3.548 0.000 0.243 575 I C 2.228 177.925 176.117 -0.699 0.000 1.093 575 I CA 1.380 62.260 61.300 -0.700 0.000 1.380 575 I CB -1.781 35.784 38.000 -0.725 0.000 1.067 575 I HN -0.093 nan 8.210 nan 0.000 0.413 576 A N 0.882 123.474 122.820 -0.379 0.000 1.940 576 A HA -0.276 1.915 4.320 -3.548 0.000 0.219 576 A C 2.460 179.943 177.584 -0.169 0.000 1.176 576 A CA 2.151 54.049 52.037 -0.231 0.000 0.631 576 A CB -0.607 18.330 19.000 -0.105 0.000 0.814 576 A HN 0.420 nan 8.150 nan 0.000 0.446 577 K N -0.499 119.803 120.400 -0.164 0.000 2.025 577 K HA -0.024 2.168 4.320 -3.548 0.000 0.207 577 K C 2.183 178.746 176.600 -0.062 0.000 1.049 577 K CA 1.166 57.396 56.287 -0.095 0.000 0.933 577 K CB -0.339 32.100 32.500 -0.101 0.000 0.714 577 K HN 0.341 nan 8.250 nan 0.000 0.438 578 A N 0.477 123.224 122.820 -0.121 0.000 1.898 578 A HA -0.139 2.052 4.320 -3.548 0.000 0.216 578 A C 1.611 179.313 177.584 0.196 0.000 1.181 578 A CA 1.181 53.214 52.037 -0.006 0.000 0.620 578 A CB -0.756 18.203 19.000 -0.068 0.000 0.819 578 A HN 0.531 nan 8.150 nan 0.000 0.442 579 W N -0.504 120.730 121.300 -0.109 0.000 2.658 579 W HA 0.220 2.749 4.660 -3.551 0.000 0.263 579 W C 2.241 178.757 176.519 -0.005 0.000 1.274 579 W CA 0.107 57.373 57.345 -0.131 0.000 1.343 579 W CB -1.091 28.050 29.460 -0.532 0.000 1.106 579 W HN 0.384 nan 8.180 nan 0.000 0.615 580 G N -0.907 107.995 108.800 0.170 0.000 2.683 580 G HA2 -0.096 1.735 3.960 -3.548 0.000 0.213 580 G HA3 -0.096 1.735 3.960 -3.548 0.000 0.213 580 G C 0.011 175.067 174.900 0.259 0.000 1.142 580 G CA 0.154 45.359 45.100 0.176 0.000 0.793 580 G HN -0.053 nan 8.290 nan 0.000 0.534 581 D N 0.350 120.854 120.400 0.174 0.000 2.232 581 D HA 0.239 2.750 4.640 -3.548 0.000 0.242 581 D C 1.572 177.898 176.300 0.042 0.000 1.093 581 D CA -0.519 53.540 54.000 0.098 0.000 0.845 581 D CB 1.456 42.294 40.800 0.063 0.000 1.124 581 D HN -0.061 nan 8.370 nan 0.000 0.467 582 L N 3.573 124.760 121.223 -0.059 0.000 2.261 582 L HA -0.179 2.032 4.340 -3.548 0.000 0.216 582 L C 1.731 178.586 176.870 -0.024 0.000 1.114 582 L CA 0.687 55.431 54.840 -0.159 0.000 0.777 582 L CB -0.218 41.742 42.059 -0.164 0.000 0.910 582 L HN 0.407 nan 8.230 nan 0.000 0.440 583 N N -0.744 117.965 118.700 0.015 0.000 2.409 583 N HA -0.119 2.493 4.740 -3.548 0.000 0.179 583 N C 1.657 177.196 175.510 0.049 0.000 1.032 583 N CA 1.189 54.260 53.050 0.035 0.000 0.898 583 N CB 0.270 38.775 38.487 0.031 0.000 0.971 583 N HN 0.294 nan 8.380 nan 0.000 0.441 584 S N -2.010 113.731 115.700 0.068 0.000 2.589 584 S HA 0.191 2.532 4.470 -3.548 0.000 0.235 584 S C 0.405 175.095 174.600 0.150 0.000 1.051 584 S CA -0.505 57.753 58.200 0.097 0.000 0.978 584 S CB -0.094 63.160 63.200 0.091 0.000 0.929 584 S HN -0.006 nan 8.310 nan 0.000 0.523 585 V N 4.793 124.801 119.914 0.157 0.000 2.599 585 V HA 0.291 2.283 4.120 -3.548 0.000 0.300 585 V C -2.591 173.582 176.094 0.132 0.000 1.034 585 V CA -1.734 60.691 62.300 0.209 0.000 1.115 585 V CB 0.476 32.437 31.823 0.230 0.000 0.934 585 V HN 0.197 nan 8.190 nan 0.000 0.485 586 P HA 0.168 nan 4.420 nan 0.000 0.268 586 P C 0.527 177.853 177.300 0.043 0.000 1.204 586 P CA 0.044 63.188 63.100 0.073 0.000 0.768 586 P CB 0.506 32.243 31.700 0.062 0.000 0.842 587 E N 1.795 122.020 120.200 0.041 0.000 2.153 587 E HA -0.215 2.006 4.350 -3.548 0.000 0.194 587 E C 1.077 177.682 176.600 0.010 0.000 0.988 587 E CA 1.301 57.718 56.400 0.029 0.000 0.811 587 E CB -0.128 29.589 29.700 0.029 0.000 0.746 587 E HN 0.633 nan 8.360 nan 0.000 0.466 588 D N 0.196 120.602 120.400 0.009 0.000 2.371 588 D HA -0.137 2.374 4.640 -3.548 0.000 0.221 588 D C 1.353 177.663 176.300 0.018 0.000 0.986 588 D CA 0.671 54.673 54.000 0.002 0.000 0.899 588 D CB -0.080 40.723 40.800 0.005 0.000 0.902 588 D HN 0.245 nan 8.370 nan 0.000 0.530 589 L N -0.363 120.863 121.223 0.005 0.000 2.966 589 L HA 0.346 2.557 4.340 -3.548 0.000 0.262 589 L C 1.973 178.841 176.870 -0.004 0.000 1.165 589 L CA -0.261 54.593 54.840 0.024 0.000 0.978 589 L CB 0.406 42.351 42.059 -0.191 0.000 1.337 589 L HN -0.060 nan 8.230 nan 0.000 0.563 590 I N 0.573 121.149 120.570 0.011 0.000 2.226 590 I HA -0.274 1.768 4.170 -3.548 0.000 0.245 590 I C 1.934 178.075 176.117 0.041 0.000 1.100 590 I CA 1.616 62.962 61.300 0.077 0.000 1.374 590 I CB 0.254 38.275 38.000 0.035 0.000 1.057 590 I HN 0.261 nan 8.210 nan 0.000 0.413 591 L N -0.882 120.285 121.223 -0.093 0.000 2.610 591 L HA -0.113 2.099 4.340 -3.548 0.000 0.232 591 L C 1.711 178.436 176.870 -0.242 0.000 1.149 591 L CA 0.375 55.126 54.840 -0.147 0.000 0.872 591 L CB -0.517 41.423 42.059 -0.199 0.000 0.992 591 L HN 0.400 nan 8.230 nan 0.000 0.447 592 W N -0.678 120.348 121.300 -0.456 0.000 2.519 592 W HA -0.103 2.428 4.660 -3.548 0.000 0.266 592 W C 1.612 177.668 176.519 -0.772 0.000 1.253 592 W CA 0.653 57.555 57.345 -0.738 0.000 1.274 592 W CB 0.085 28.726 29.460 -1.366 0.000 1.114 592 W HN 0.089 nan 8.180 nan 0.000 0.596 593 F N -3.890 116.087 119.950 0.044 0.000 2.789 593 F HA 0.213 2.610 4.527 -3.550 0.000 0.320 593 F C 0.475 176.032 175.800 -0.406 0.000 1.079 593 F CA -0.243 57.644 58.000 -0.190 0.000 1.205 593 F CB -0.382 38.458 39.000 -0.266 0.000 1.046 593 F HN -0.285 nan 8.300 nan 0.000 0.586 594 H N -0.889 118.263 119.070 0.136 0.000 2.600 594 H HA 0.283 2.710 4.556 -3.548 0.000 0.357 594 H C -1.138 174.190 175.328 0.000 0.000 1.106 594 H CA -0.727 55.354 56.048 0.055 0.000 1.193 594 H CB 1.779 31.530 29.762 -0.017 0.000 1.594 594 H HN -0.025 nan 8.280 nan 0.000 0.526 595 H N 3.293 122.371 119.070 0.014 0.000 2.594 595 H HA 0.413 2.840 4.556 -3.548 0.000 0.304 595 H C -0.970 174.298 175.328 -0.101 0.000 1.068 595 H CA -0.285 55.715 56.048 -0.079 0.000 1.308 595 H CB 0.209 29.903 29.762 -0.113 0.000 1.409 595 H HN 0.373 nan 8.280 nan 0.000 0.460 596 L N 3.735 124.635 121.223 -0.538 0.000 2.362 596 L HA 0.335 2.546 4.340 -3.548 0.000 0.271 596 L C 0.143 176.714 176.870 -0.499 0.000 1.002 596 L CA -1.142 53.452 54.840 -0.411 0.000 0.818 596 L CB 2.031 43.860 42.059 -0.383 0.000 1.298 596 L HN 0.658 nan 8.230 nan 0.000 0.420 597 S N 0.583 116.126 115.700 -0.262 0.000 2.579 597 S HA 0.055 2.397 4.470 -3.548 0.000 0.275 597 S C 0.644 175.185 174.600 -0.099 0.000 1.345 597 S CA -0.113 57.976 58.200 -0.185 0.000 1.031 597 S CB 0.422 63.610 63.200 -0.020 0.000 0.892 597 S HN 0.585 nan 8.310 nan 0.000 0.529 598 W N 0.873 122.184 121.300 0.018 0.000 2.421 598 W HA 0.002 2.532 4.660 -3.549 0.000 0.270 598 W C 1.478 178.056 176.519 0.098 0.000 1.233 598 W CA 0.270 57.657 57.345 0.070 0.000 1.226 598 W CB -0.037 29.458 29.460 0.058 0.000 1.121 598 W HN 0.686 nan 8.180 nan 0.000 0.579 599 D N -1.605 118.961 120.400 0.276 0.000 2.340 599 D HA -0.082 2.429 4.640 -3.548 0.000 0.220 599 D C 0.597 176.983 176.300 0.143 0.000 1.039 599 D CA 0.459 54.570 54.000 0.185 0.000 0.866 599 D CB -0.547 40.331 40.800 0.130 0.000 0.913 599 D HN 0.237 nan 8.370 nan 0.000 0.523 600 H N 2.083 121.187 119.070 0.056 0.000 3.125 600 H HA 0.010 2.438 4.556 -3.548 0.000 0.310 600 H C 0.027 175.374 175.328 0.032 0.000 0.980 600 H CA 0.401 56.460 56.048 0.018 0.000 1.422 600 H CB 0.506 30.253 29.762 -0.026 0.000 1.432 600 H HN -0.113 nan 8.280 nan 0.000 0.577 601 R N 5.369 125.552 120.500 -0.528 0.000 2.254 601 R HA 0.188 2.400 4.340 -3.548 0.000 0.318 601 R C 0.307 176.281 176.300 -0.544 0.000 1.031 601 R CA -0.716 55.152 56.100 -0.386 0.000 0.905 601 R CB 1.080 31.257 30.300 -0.205 0.000 1.050 601 R HN 0.552 nan 8.270 nan 0.000 0.456 602 M N 1.808 121.248 119.600 -0.266 0.000 2.245 602 M HA 0.106 2.457 4.480 -3.548 0.000 0.292 602 M C 1.561 177.802 176.300 -0.099 0.000 1.176 602 M CA -0.008 55.205 55.300 -0.146 0.000 1.035 602 M CB 0.569 33.139 32.600 -0.050 0.000 1.440 602 M HN 0.533 nan 8.290 nan 0.000 0.494 603 Q N 0.351 120.120 119.800 -0.050 0.000 2.181 603 Q HA -0.135 2.076 4.340 -3.548 0.000 0.205 603 Q C 1.806 177.780 176.000 -0.044 0.000 0.980 603 Q CA 1.955 57.736 55.803 -0.036 0.000 0.862 603 Q CB -0.138 28.593 28.738 -0.012 0.000 0.905 603 Q HN 0.873 nan 8.270 nan 0.000 0.429 604 S N -1.342 114.325 115.700 -0.056 0.000 2.515 604 S HA 0.037 2.379 4.470 -3.548 0.000 0.231 604 S C 1.552 176.110 174.600 -0.072 0.000 0.987 604 S CA 0.712 58.870 58.200 -0.072 0.000 0.936 604 S CB 0.211 63.345 63.200 -0.111 0.000 0.766 604 S HN 0.560 nan 8.310 nan 0.000 0.528 605 G N 1.001 109.759 108.800 -0.069 0.000 2.213 605 G HA2 -0.249 1.582 3.960 -3.548 0.000 0.236 605 G HA3 -0.249 1.582 3.960 -3.548 0.000 0.236 605 G C 0.219 175.086 174.900 -0.055 0.000 0.991 605 G CA -0.090 44.974 45.100 -0.060 0.000 0.629 605 G HN 0.586 nan 8.290 nan 0.000 0.517 606 R N 1.240 121.703 120.500 -0.061 0.000 2.641 606 R HA 0.398 2.609 4.340 -3.548 0.000 0.269 606 R C 0.902 177.190 176.300 -0.019 0.000 1.074 606 R CA 0.112 56.191 56.100 -0.036 0.000 1.133 606 R CB 0.302 30.571 30.300 -0.052 0.000 1.029 606 R HN 0.619 nan 8.270 nan 0.000 0.488 607 N N 1.288 120.006 118.700 0.031 0.000 2.317 607 N HA -0.068 2.544 4.740 -3.548 0.000 0.245 607 N C 0.721 176.310 175.510 0.133 0.000 1.294 607 N CA -0.399 52.696 53.050 0.076 0.000 0.924 607 N CB 0.331 38.901 38.487 0.138 0.000 1.186 607 N HN 0.460 nan 8.380 nan 0.000 0.495 608 L N -0.412 120.943 121.223 0.221 0.000 2.083 608 L HA 0.010 2.221 4.340 -3.548 0.000 0.209 608 L C 1.928 179.038 176.870 0.400 0.000 1.083 608 L CA 1.351 56.354 54.840 0.271 0.000 0.752 608 L CB -0.831 41.388 42.059 0.267 0.000 0.899 608 L HN 0.776 nan 8.230 nan 0.000 0.433 609 W N 0.397 121.918 121.300 0.368 0.000 2.335 609 W HA -0.274 2.257 4.660 -3.547 0.000 0.311 609 W C 2.124 178.674 176.519 0.053 0.000 1.213 609 W CA 1.862 59.297 57.345 0.150 0.000 1.274 609 W CB -0.231 29.141 29.460 -0.148 0.000 1.148 609 W HN 0.325 nan 8.180 nan 0.000 0.498 610 Q N 0.139 119.864 119.800 -0.125 0.000 2.124 610 Q HA -0.271 1.940 4.340 -3.548 0.000 0.202 610 Q C 2.037 177.930 176.000 -0.179 0.000 0.977 610 Q CA 2.066 57.734 55.803 -0.225 0.000 0.850 610 Q CB -0.349 28.385 28.738 -0.007 0.000 0.901 610 Q HN 0.230 nan 8.270 nan 0.000 0.429 611 E N 1.045 121.205 120.200 -0.066 0.000 2.072 611 E HA -0.159 2.063 4.350 -3.548 0.000 0.191 611 E C 1.772 178.352 176.600 -0.034 0.000 0.985 611 E CA 0.638 57.026 56.400 -0.021 0.000 0.801 611 E CB -0.217 29.486 29.700 0.006 0.000 0.750 611 E HN 0.338 nan 8.360 nan 0.000 0.452 612 L N -0.303 120.878 121.223 -0.070 0.000 1.989 612 L HA -0.203 2.009 4.340 -3.548 0.000 0.211 612 L C 2.163 178.983 176.870 -0.084 0.000 1.071 612 L CA 1.493 56.300 54.840 -0.055 0.000 0.749 612 L CB -0.322 41.742 42.059 0.008 0.000 0.890 612 L HN 0.105 nan 8.230 nan 0.000 0.431 613 V N -0.378 119.292 119.914 -0.407 0.000 2.287 613 V HA -0.364 1.627 4.120 -3.548 0.000 0.248 613 V C 2.450 178.382 176.094 -0.271 0.000 1.053 613 V CA 2.275 64.315 62.300 -0.433 0.000 1.027 613 V CB -0.973 30.338 31.823 -0.853 0.000 0.646 613 V HN 0.661 nan 8.190 nan 0.000 0.447 614 H N 0.454 119.316 119.070 -0.346 0.000 2.352 614 H HA -0.145 2.282 4.556 -3.548 0.000 0.299 614 H C 2.285 177.619 175.328 0.010 0.000 1.097 614 H CA 1.824 57.794 56.048 -0.130 0.000 1.311 614 H CB 0.077 29.840 29.762 0.002 0.000 1.377 614 H HN 0.164 nan 8.280 nan 0.000 0.504 615 K N -0.184 120.234 120.400 0.029 0.000 2.057 615 K HA -0.141 2.050 4.320 -3.548 0.000 0.206 615 K C 2.201 178.747 176.600 -0.090 0.000 1.050 615 K CA 1.356 57.607 56.287 -0.059 0.000 0.935 615 K CB -0.701 31.727 32.500 -0.120 0.000 0.715 615 K HN 0.444 nan 8.250 nan 0.000 0.439 616 Y N -0.113 120.168 120.300 -0.033 0.000 2.145 616 Y HA -0.243 2.179 4.550 -3.547 0.000 0.286 616 Y C 2.328 178.197 175.900 -0.053 0.000 1.145 616 Y CA 1.533 59.620 58.100 -0.022 0.000 1.148 616 Y CB -0.444 38.000 38.460 -0.028 0.000 0.981 616 Y HN 0.073 nan 8.280 nan 0.000 0.507 617 Y N -0.356 119.953 120.300 0.014 0.000 2.293 617 Y HA -0.291 2.130 4.550 -3.547 0.000 0.291 617 Y C 2.690 178.574 175.900 -0.026 0.000 1.137 617 Y CA 1.641 59.739 58.100 -0.004 0.000 1.202 617 Y CB -0.370 38.082 38.460 -0.013 0.000 0.990 617 Y HN 0.181 nan 8.280 nan 0.000 0.537 618 Q N -0.024 119.783 119.800 0.012 0.000 2.084 618 Q HA -0.155 2.056 4.340 -3.548 0.000 0.202 618 Q C 2.471 178.486 176.000 0.024 0.000 0.978 618 Q CA 1.549 57.326 55.803 -0.044 0.000 0.844 618 Q CB -0.490 28.174 28.738 -0.122 0.000 0.898 618 Q HN 0.538 nan 8.270 nan 0.000 0.426 619 G N 0.031 108.866 108.800 0.058 0.000 2.440 619 G HA2 -0.234 1.598 3.960 -3.548 0.000 0.218 619 G HA3 -0.234 1.598 3.960 -3.548 0.000 0.218 619 G C 1.410 176.429 174.900 0.198 0.000 1.154 619 G CA 1.020 46.231 45.100 0.185 0.000 0.767 619 G HN 0.303 nan 8.290 nan 0.000 0.552 620 V N 0.690 120.644 119.914 0.067 0.000 2.343 620 V HA -0.120 1.871 4.120 -3.548 0.000 0.247 620 V C 2.818 178.903 176.094 -0.015 0.000 1.051 620 V CA 1.924 64.188 62.300 -0.060 0.000 1.036 620 V CB -0.295 31.456 31.823 -0.119 0.000 0.654 620 V HN 0.286 nan 8.190 nan 0.000 0.451 621 E N 0.005 120.220 120.200 0.025 0.000 2.110 621 E HA -0.249 1.972 4.350 -3.548 0.000 0.193 621 E C 2.264 178.879 176.600 0.024 0.000 0.988 621 E CA 1.292 57.711 56.400 0.031 0.000 0.804 621 E CB -0.279 29.448 29.700 0.045 0.000 0.745 621 E HN 0.696 nan 8.360 nan 0.000 0.458 622 Q N 0.131 119.951 119.800 0.033 0.000 2.084 622 Q HA -0.096 2.115 4.340 -3.548 0.000 0.202 622 Q C 2.366 178.379 176.000 0.021 0.000 0.978 622 Q CA 1.269 57.091 55.803 0.032 0.000 0.844 622 Q CB -0.022 28.741 28.738 0.041 0.000 0.898 622 Q HN 0.103 nan 8.270 nan 0.000 0.426 623 V N 0.947 120.870 119.914 0.015 0.000 2.343 623 V HA -0.285 1.706 4.120 -3.548 0.000 0.247 623 V C 2.136 178.215 176.094 -0.026 0.000 1.051 623 V CA 1.906 64.191 62.300 -0.024 0.000 1.036 623 V CB -0.518 31.251 31.823 -0.090 0.000 0.654 623 V HN 0.301 nan 8.190 nan 0.000 0.451 624 R N 0.274 120.763 120.500 -0.018 0.000 2.081 624 R HA -0.119 2.093 4.340 -3.548 0.000 0.235 624 R C 2.433 178.743 176.300 0.015 0.000 1.131 624 R CA 1.492 57.590 56.100 -0.003 0.000 0.960 624 R CB -0.619 29.683 30.300 0.004 0.000 0.856 624 R HN 0.539 nan 8.270 nan 0.000 0.436 625 A N 1.000 123.831 122.820 0.018 0.000 1.930 625 A HA -0.138 2.053 4.320 -3.548 0.000 0.217 625 A C 2.162 179.766 177.584 0.032 0.000 1.175 625 A CA 1.222 53.275 52.037 0.027 0.000 0.627 625 A CB -0.385 18.629 19.000 0.024 0.000 0.815 625 A HN 0.182 nan 8.150 nan 0.000 0.443 626 M N -0.883 118.727 119.600 0.017 0.000 2.117 626 M HA -0.239 2.113 4.480 -3.548 0.000 0.262 626 M C 2.427 178.760 176.300 0.055 0.000 1.065 626 M CA 1.647 56.955 55.300 0.014 0.000 1.114 626 M CB -0.555 32.022 32.600 -0.039 0.000 1.361 626 M HN 0.518 nan 8.290 nan 0.000 0.408 627 Q N -0.098 119.727 119.800 0.042 0.000 2.050 627 Q HA -0.170 2.042 4.340 -3.548 0.000 0.202 627 Q C 2.143 178.220 176.000 0.129 0.000 0.980 627 Q CA 1.425 57.275 55.803 0.078 0.000 0.840 627 Q CB -0.184 28.579 28.738 0.041 0.000 0.898 627 Q HN 0.525 nan 8.270 nan 0.000 0.424 628 R N -0.211 120.344 120.500 0.092 0.000 2.081 628 R HA -0.087 2.125 4.340 -3.548 0.000 0.235 628 R C 2.421 178.788 176.300 0.112 0.000 1.131 628 R CA 1.648 57.803 56.100 0.092 0.000 0.960 628 R CB -0.446 29.892 30.300 0.062 0.000 0.856 628 R HN 0.225 nan 8.270 nan 0.000 0.436 629 T N 0.521 115.142 114.554 0.111 0.000 2.652 629 T HA -0.232 1.989 4.350 -3.548 0.000 0.267 629 T C 1.269 176.082 174.700 0.188 0.000 1.039 629 T CA 1.307 63.478 62.100 0.118 0.000 1.153 629 T CB -0.320 68.603 68.868 0.093 0.000 0.863 629 T HN 0.485 nan 8.240 nan 0.000 0.428 630 W N 2.064 123.390 121.300 0.044 0.000 2.358 630 W HA -0.164 2.370 4.660 -3.544 0.000 0.303 630 W C 1.524 178.203 176.519 0.267 0.000 1.208 630 W CA 1.240 58.644 57.345 0.099 0.000 1.274 630 W CB -0.227 29.226 29.460 -0.012 0.000 1.138 630 W HN 0.264 nan 8.180 nan 0.000 0.515 631 D N 0.118 120.668 120.400 0.251 0.000 2.182 631 D HA -0.211 2.300 4.640 -3.548 0.000 0.201 631 D C 1.954 178.331 176.300 0.129 0.000 0.986 631 D CA 1.463 55.621 54.000 0.265 0.000 0.847 631 D CB -0.543 40.378 40.800 0.201 0.000 0.942 631 D HN 0.410 nan 8.370 nan 0.000 0.467 632 Q N -0.315 119.532 119.800 0.079 0.000 2.482 632 Q HA -0.028 2.183 4.340 -3.548 0.000 0.209 632 Q C 0.944 176.960 176.000 0.027 0.000 0.961 632 Q CA 0.483 56.309 55.803 0.038 0.000 0.945 632 Q CB 0.300 29.075 28.738 0.061 0.000 1.012 632 Q HN 0.215 nan 8.270 nan 0.000 0.515 633 Q N -0.336 119.448 119.800 -0.027 0.000 2.247 633 Q HA 0.019 2.230 4.340 -3.548 0.000 0.204 633 Q C 0.843 176.696 176.000 -0.246 0.000 0.872 633 Q CA 0.143 55.968 55.803 0.037 0.000 0.951 633 Q CB 0.479 29.200 28.738 -0.027 0.000 1.099 633 Q HN 0.442 nan 8.270 nan 0.000 0.501 634 E N 1.376 121.247 120.200 -0.548 0.000 2.130 634 E HA -0.204 2.018 4.350 -3.548 0.000 0.196 634 E C 1.469 177.675 176.600 -0.657 0.000 0.998 634 E CA 1.305 57.085 56.400 -1.035 0.000 0.806 634 E CB 0.191 29.232 29.700 -1.098 0.000 0.738 634 E HN 0.361 nan 8.360 nan 0.000 0.459 635 A N -0.530 121.936 122.820 -0.590 0.000 2.119 635 A HA -0.109 2.082 4.320 -3.548 0.000 0.217 635 A C 1.113 178.342 177.584 -0.592 0.000 1.153 635 A CA 0.827 52.492 52.037 -0.620 0.000 0.692 635 A CB -0.271 18.259 19.000 -0.784 0.000 0.799 635 A HN 0.365 nan 8.150 nan 0.000 0.458 636 Y N -1.583 118.570 120.300 -0.245 0.000 2.458 636 Y HA 0.334 2.756 4.550 -3.547 0.000 0.254 636 Y C 0.401 176.088 175.900 -0.356 0.000 1.120 636 Y CA -0.501 57.423 58.100 -0.293 0.000 1.282 636 Y CB 0.242 38.497 38.460 -0.341 0.000 1.109 636 Y HN -0.009 nan 8.280 nan 0.000 0.526 637 V N 1.890 121.711 119.914 -0.156 0.000 2.715 637 V HA 0.170 2.161 4.120 -3.548 0.000 0.310 637 V C -0.269 175.844 176.094 0.031 0.000 1.054 637 V CA -1.598 60.684 62.300 -0.030 0.000 0.928 637 V CB 1.737 33.587 31.823 0.043 0.000 1.007 637 V HN 0.197 nan 8.190 nan 0.000 0.437 638 D N 2.996 123.467 120.400 0.118 0.000 2.419 638 D HA 0.070 2.581 4.640 -3.548 0.000 0.236 638 D C 1.126 177.526 176.300 0.167 0.000 1.165 638 D CA 0.332 54.394 54.000 0.102 0.000 0.882 638 D CB 1.783 42.647 40.800 0.106 0.000 1.201 638 D HN 0.556 nan 8.370 nan 0.000 0.443 639 A N 2.498 125.387 122.820 0.116 0.000 1.940 639 A HA -0.062 2.129 4.320 -3.548 0.000 0.219 639 A C 2.254 179.983 177.584 0.241 0.000 1.176 639 A CA 2.404 54.538 52.037 0.161 0.000 0.631 639 A CB -0.882 18.171 19.000 0.088 0.000 0.814 639 A HN 0.764 nan 8.150 nan 0.000 0.446 640 A N -0.309 122.624 122.820 0.189 0.000 1.855 640 A HA -0.119 2.073 4.320 -3.548 0.000 0.215 640 A C 2.253 179.976 177.584 0.232 0.000 1.191 640 A CA 1.428 53.572 52.037 0.179 0.000 0.613 640 A CB -0.460 18.616 19.000 0.127 0.000 0.829 640 A HN 0.522 nan 8.150 nan 0.000 0.442 641 R N -1.975 118.697 120.500 0.286 0.000 2.115 641 R HA -0.070 2.141 4.340 -3.548 0.000 0.230 641 R C 1.966 178.558 176.300 0.486 0.000 1.111 641 R CA 1.335 57.657 56.100 0.371 0.000 0.976 641 R CB -0.467 30.115 30.300 0.470 0.000 0.870 641 R HN 0.590 nan 8.270 nan 0.000 0.445 642 F N 1.594 121.780 119.950 0.394 0.000 2.069 642 F HA -0.230 2.168 4.527 -3.547 0.000 0.298 642 F C 2.296 178.368 175.800 0.452 0.000 1.113 642 F CA 1.645 59.921 58.000 0.460 0.000 1.214 642 F CB -0.429 38.669 39.000 0.163 0.000 0.978 642 F HN -0.024 nan 8.300 nan 0.000 0.474 643 A N -0.198 122.781 122.820 0.264 0.000 1.933 643 A HA -0.250 1.941 4.320 -3.548 0.000 0.218 643 A C 2.263 179.877 177.584 0.050 0.000 1.175 643 A CA 1.737 53.849 52.037 0.125 0.000 0.628 643 A CB -1.052 18.060 19.000 0.186 0.000 0.814 643 A HN 0.648 nan 8.150 nan 0.000 0.444 644 Q N -0.209 119.645 119.800 0.090 0.000 2.020 644 Q HA -0.134 2.077 4.340 -3.548 0.000 0.202 644 Q C 1.994 177.960 176.000 -0.058 0.000 0.982 644 Q CA 2.130 57.955 55.803 0.036 0.000 0.838 644 Q CB -0.220 28.561 28.738 0.072 0.000 0.899 644 Q HN 0.390 nan 8.270 nan 0.000 0.423 645 V N 1.537 121.406 119.914 -0.074 0.000 2.343 645 V HA -0.273 1.718 4.120 -3.548 0.000 0.247 645 V C 2.456 178.325 176.094 -0.374 0.000 1.051 645 V CA 2.177 64.276 62.300 -0.335 0.000 1.036 645 V CB -0.699 30.732 31.823 -0.654 0.000 0.654 645 V HN 0.414 nan 8.190 nan 0.000 0.451 646 K N 0.383 120.646 120.400 -0.229 0.000 2.044 646 K HA -0.236 1.955 4.320 -3.548 0.000 0.210 646 K C 2.184 178.733 176.600 -0.085 0.000 1.049 646 K CA 1.825 58.035 56.287 -0.128 0.000 0.927 646 K CB -0.369 32.015 32.500 -0.193 0.000 0.713 646 K HN 0.425 nan 8.250 nan 0.000 0.443 647 A N 1.314 124.095 122.820 -0.065 0.000 1.877 647 A HA -0.121 2.070 4.320 -3.548 0.000 0.216 647 A C 2.159 179.718 177.584 -0.041 0.000 1.186 647 A CA 1.426 53.445 52.037 -0.030 0.000 0.620 647 A CB -0.675 18.323 19.000 -0.005 0.000 0.822 647 A HN 0.341 nan 8.150 nan 0.000 0.443 648 L N -0.725 120.450 121.223 -0.079 0.000 2.079 648 L HA -0.195 2.016 4.340 -3.548 0.000 0.210 648 L C 2.516 179.355 176.870 -0.051 0.000 1.081 648 L CA 1.047 55.849 54.840 -0.063 0.000 0.752 648 L CB -0.554 41.402 42.059 -0.173 0.000 0.896 648 L HN 0.364 nan 8.230 nan 0.000 0.433 649 L N -0.848 120.314 121.223 -0.101 0.000 2.141 649 L HA -0.207 2.005 4.340 -3.548 0.000 0.209 649 L C 2.691 179.513 176.870 -0.080 0.000 1.094 649 L CA 1.065 55.842 54.840 -0.104 0.000 0.763 649 L CB -0.363 41.615 42.059 -0.135 0.000 0.908 649 L HN 0.341 nan 8.230 nan 0.000 0.437 650 Q N -0.815 118.955 119.800 -0.051 0.000 2.084 650 Q HA -0.171 2.041 4.340 -3.548 0.000 0.202 650 Q C 2.337 178.314 176.000 -0.038 0.000 0.978 650 Q CA 1.447 57.231 55.803 -0.032 0.000 0.844 650 Q CB -0.195 28.541 28.738 -0.005 0.000 0.898 650 Q HN 0.349 nan 8.270 nan 0.000 0.426 651 V N 1.079 120.976 119.914 -0.028 0.000 2.343 651 V HA -0.311 1.681 4.120 -3.548 0.000 0.247 651 V C 2.341 178.368 176.094 -0.112 0.000 1.051 651 V CA 2.150 64.443 62.300 -0.012 0.000 1.036 651 V CB -0.691 31.163 31.823 0.053 0.000 0.654 651 V HN 0.414 nan 8.190 nan 0.000 0.451 652 Q N -0.144 119.531 119.800 -0.209 0.000 2.096 652 Q HA -0.275 1.936 4.340 -3.548 0.000 0.204 652 Q C 2.424 178.201 176.000 -0.372 0.000 0.982 652 Q CA 2.040 57.552 55.803 -0.485 0.000 0.850 652 Q CB -0.223 28.279 28.738 -0.392 0.000 0.901 652 Q HN 0.661 nan 8.270 nan 0.000 0.422 653 E N 0.638 120.709 120.200 -0.216 0.000 2.077 653 E HA -0.232 1.990 4.350 -3.548 0.000 0.193 653 E C 2.022 178.535 176.600 -0.145 0.000 0.989 653 E CA 1.082 57.376 56.400 -0.177 0.000 0.800 653 E CB -0.094 29.546 29.700 -0.100 0.000 0.746 653 E HN 0.314 nan 8.360 nan 0.000 0.452 654 R N 0.203 120.649 120.500 -0.090 0.000 2.081 654 R HA -0.114 2.098 4.340 -3.548 0.000 0.235 654 R C 2.187 178.472 176.300 -0.025 0.000 1.131 654 R CA 1.388 57.472 56.100 -0.027 0.000 0.960 654 R CB 0.036 30.346 30.300 0.016 0.000 0.856 654 R HN 0.053 nan 8.270 nan 0.000 0.436 655 E N 0.151 120.315 120.200 -0.059 0.000 2.150 655 E HA -0.123 2.098 4.350 -3.548 0.000 0.193 655 E C 1.816 178.437 176.600 0.034 0.000 0.985 655 E CA 1.111 57.519 56.400 0.013 0.000 0.814 655 E CB -0.114 29.604 29.700 0.030 0.000 0.752 655 E HN 0.433 nan 8.360 nan 0.000 0.466 656 A N 0.963 123.629 122.820 -0.255 0.000 1.902 656 A HA -0.134 2.057 4.320 -3.548 0.000 0.217 656 A C 2.593 180.020 177.584 -0.262 0.000 1.181 656 A CA 1.340 53.014 52.037 -0.606 0.000 0.623 656 A CB -0.652 17.737 19.000 -1.018 0.000 0.818 656 A HN 0.131 nan 8.150 nan 0.000 0.443 657 V N -0.018 119.795 119.914 -0.169 0.000 2.343 657 V HA -0.269 1.722 4.120 -3.548 0.000 0.247 657 V C 2.649 178.703 176.094 -0.066 0.000 1.051 657 V CA 2.357 64.593 62.300 -0.106 0.000 1.036 657 V CB -0.804 30.992 31.823 -0.045 0.000 0.654 657 V HN 0.677 nan 8.190 nan 0.000 0.451 658 R N -1.426 119.077 120.500 0.004 0.000 2.081 658 R HA -0.208 2.003 4.340 -3.548 0.000 0.235 658 R C 2.149 178.387 176.300 -0.104 0.000 1.131 658 R CA 2.112 58.213 56.100 0.002 0.000 0.960 658 R CB -0.339 30.001 30.300 0.066 0.000 0.856 658 R HN 0.545 nan 8.270 nan 0.000 0.436 659 W N 0.864 122.088 121.300 -0.127 0.000 2.333 659 W HA -0.151 2.383 4.660 -3.544 0.000 0.316 659 W C 2.678 179.120 176.519 -0.128 0.000 1.215 659 W CA 1.888 59.185 57.345 -0.080 0.000 1.278 659 W CB -0.335 29.176 29.460 0.085 0.000 1.154 659 W HN 0.120 nan 8.180 nan 0.000 0.486 660 R N 0.396 120.973 120.500 0.130 0.000 2.080 660 R HA -0.218 1.993 4.340 -3.548 0.000 0.236 660 R C 1.808 177.930 176.300 -0.298 0.000 1.137 660 R CA 2.138 58.191 56.100 -0.078 0.000 0.943 660 R CB -0.764 29.415 30.300 -0.202 0.000 0.846 660 R HN 0.145 nan 8.270 nan 0.000 0.431 661 N N 0.219 118.706 118.700 -0.354 0.000 2.120 661 N HA -0.091 2.520 4.740 -3.548 0.000 0.188 661 N C 1.839 177.029 175.510 -0.533 0.000 1.024 661 N CA 1.665 54.425 53.050 -0.483 0.000 0.852 661 N CB -0.385 37.668 38.487 -0.722 0.000 1.003 661 N HN 0.156 nan 8.380 nan 0.000 0.424 662 S N 0.048 115.425 115.700 -0.539 0.000 2.368 662 S HA -0.084 2.258 4.470 -3.548 0.000 0.225 662 S C 2.259 176.803 174.600 -0.093 0.000 1.030 662 S CA 0.843 58.905 58.200 -0.231 0.000 0.999 662 S CB -0.320 62.791 63.200 -0.148 0.000 0.844 662 S HN 0.447 nan 8.310 nan 0.000 0.459 663 C N 0.786 119.939 119.300 -0.244 0.000 2.466 663 C HA 0.080 2.411 4.460 -3.548 0.000 0.278 663 C C 2.667 177.526 174.990 -0.220 0.000 1.288 663 C CA 0.120 58.952 59.018 -0.309 0.000 1.722 663 C CB -1.202 26.257 27.740 -0.470 0.000 2.017 663 C HN 0.394 nan 8.230 nan 0.000 0.488 664 V N 1.182 120.917 119.914 -0.298 0.000 2.343 664 V HA -0.203 1.788 4.120 -3.548 0.000 0.247 664 V C 2.324 178.491 176.094 0.121 0.000 1.051 664 V CA 1.799 64.061 62.300 -0.062 0.000 1.036 664 V CB -0.622 31.156 31.823 -0.075 0.000 0.654 664 V HN 0.547 nan 8.190 nan 0.000 0.451 665 L N -1.377 119.880 121.223 0.057 0.000 2.141 665 L HA -0.169 2.042 4.340 -3.548 0.000 0.209 665 L C 2.476 179.410 176.870 0.107 0.000 1.094 665 L CA 1.699 56.604 54.840 0.107 0.000 0.763 665 L CB -0.637 41.492 42.059 0.116 0.000 0.908 665 L HN 0.437 nan 8.230 nan 0.000 0.437 666 Y N 0.392 120.691 120.300 -0.002 0.000 2.133 666 Y HA -0.249 2.172 4.550 -3.547 0.000 0.287 666 Y C 2.257 178.116 175.900 -0.068 0.000 1.134 666 Y CA 1.380 59.456 58.100 -0.040 0.000 1.133 666 Y CB -0.485 37.901 38.460 -0.124 0.000 0.987 666 Y HN -0.036 nan 8.280 nan 0.000 0.502 667 F N 0.983 120.884 119.950 -0.082 0.000 2.216 667 F HA -0.179 2.219 4.527 -3.549 0.000 0.300 667 F C 2.741 178.426 175.800 -0.191 0.000 1.085 667 F CA 1.731 59.662 58.000 -0.116 0.000 1.326 667 F CB -1.070 38.085 39.000 0.258 0.000 1.027 667 F HN 0.210 nan 8.300 nan 0.000 0.497 668 Q N 0.548 120.399 119.800 0.086 0.000 2.084 668 Q HA -0.219 1.992 4.340 -3.548 0.000 0.202 668 Q C 2.372 178.211 176.000 -0.269 0.000 0.978 668 Q CA 2.297 57.974 55.803 -0.210 0.000 0.844 668 Q CB -0.208 28.554 28.738 0.041 0.000 0.898 668 Q HN 0.442 nan 8.270 nan 0.000 0.426 669 S N -1.035 114.552 115.700 -0.188 0.000 2.419 669 S HA -0.096 2.245 4.470 -3.548 0.000 0.233 669 S C 1.801 176.286 174.600 -0.192 0.000 1.016 669 S CA 1.273 59.374 58.200 -0.165 0.000 0.974 669 S CB -0.225 62.910 63.200 -0.108 0.000 0.786 669 S HN 0.266 nan 8.310 nan 0.000 0.492 670 V N 1.483 121.245 119.914 -0.254 0.000 2.500 670 V HA 0.224 2.215 4.120 -3.548 0.000 0.243 670 V C 3.009 179.032 176.094 -0.118 0.000 1.039 670 V CA 1.218 63.438 62.300 -0.133 0.000 1.053 670 V CB -1.004 30.775 31.823 -0.074 0.000 0.695 670 V HN 0.626 nan 8.190 nan 0.000 0.463 671 A N -0.225 122.407 122.820 -0.314 0.000 1.975 671 A HA 0.320 2.511 4.320 -3.548 0.000 0.215 671 A C 1.984 179.240 177.584 -0.547 0.000 1.170 671 A CA 1.182 52.874 52.037 -0.574 0.000 0.656 671 A CB -0.646 17.465 19.000 -1.481 0.000 0.821 671 A HN 1.297 nan 8.150 nan 0.000 0.449 672 G N -0.557 107.941 108.800 -0.505 0.000 2.246 672 G HA2 -0.248 1.584 3.960 -3.548 0.000 0.273 672 G HA3 -0.248 1.584 3.960 -3.548 0.000 0.273 672 G C 0.058 174.685 174.900 -0.456 0.000 1.055 672 G CA 0.468 45.343 45.100 -0.375 0.000 0.851 672 G HN 0.689 nan 8.290 nan 0.000 0.500 673 R N 0.140 120.193 120.500 -0.745 0.000 2.711 673 R HA 0.597 2.808 4.340 -3.548 0.000 0.284 673 R C -2.450 173.611 176.300 -0.399 0.000 0.968 673 R CA -1.992 53.683 56.100 -0.708 0.000 0.924 673 R CB 2.242 31.761 30.300 -1.301 0.000 1.162 673 R HN 0.140 nan 8.270 nan 0.000 0.465 674 P HA 0.163 nan 4.420 nan 0.000 0.278 674 P C -0.382 177.120 177.300 0.336 0.000 1.238 674 P CA -0.216 62.941 63.100 0.095 0.000 0.794 674 P CB 0.735 32.472 31.700 0.063 0.000 0.955 675 I N 3.768 124.504 120.570 0.276 0.000 2.452 675 I HA 0.114 2.155 4.170 -3.548 0.000 0.287 675 I C -1.718 174.497 176.117 0.163 0.000 1.079 675 I CA -1.845 59.578 61.300 0.204 0.000 1.387 675 I CB -0.202 37.878 38.000 0.133 0.000 1.404 675 I HN 0.180 nan 8.210 nan 0.000 0.522 676 P HA -0.039 nan 4.420 nan 0.000 0.266 676 P C 0.394 177.773 177.300 0.130 0.000 1.193 676 P CA -0.026 63.185 63.100 0.185 0.000 0.770 676 P CB 0.755 32.607 31.700 0.252 0.000 0.836 677 A N 3.173 126.019 122.820 0.043 0.000 2.121 677 A HA -0.160 2.032 4.320 -3.548 0.000 0.218 677 A C 1.506 179.051 177.584 -0.065 0.000 1.154 677 A CA 1.267 53.305 52.037 0.002 0.000 0.679 677 A CB -0.979 18.019 19.000 -0.003 0.000 0.795 677 A HN 0.707 nan 8.150 nan 0.000 0.458 678 N N -1.142 117.458 118.700 -0.168 0.000 2.461 678 N HA 0.001 2.612 4.740 -3.548 0.000 0.188 678 N C -0.720 174.484 175.510 -0.510 0.000 1.134 678 N CA 0.104 52.967 53.050 -0.312 0.000 0.878 678 N CB -0.349 37.919 38.487 -0.366 0.000 0.972 678 N HN 0.451 nan 8.380 nan 0.000 0.456 679 Y N 1.671 121.854 120.300 -0.195 0.000 2.360 679 Y HA 0.208 2.630 4.550 -3.548 0.000 0.337 679 Y C 0.478 176.286 175.900 -0.154 0.000 1.039 679 Y CA -1.576 56.304 58.100 -0.367 0.000 1.109 679 Y CB 1.059 38.962 38.460 -0.927 0.000 1.201 679 Y HN 0.061 nan 8.280 nan 0.000 0.458 680 E N 3.337 123.642 120.200 0.176 0.000 2.366 680 E HA 0.007 2.228 4.350 -3.548 0.000 0.266 680 E C -0.549 176.205 176.600 0.256 0.000 1.015 680 E CA -0.563 55.955 56.400 0.198 0.000 0.906 680 E CB 0.751 30.567 29.700 0.194 0.000 0.979 680 E HN 0.521 nan 8.360 nan 0.000 0.443 681 Q N 3.730 123.622 119.800 0.153 0.000 2.337 681 Q HA 0.114 2.325 4.340 -3.548 0.000 0.270 681 Q C -2.017 174.065 176.000 0.137 0.000 1.002 681 Q CA -1.475 54.416 55.803 0.147 0.000 0.888 681 Q CB 0.710 29.500 28.738 0.086 0.000 1.222 681 Q HN 0.500 nan 8.270 nan 0.000 0.400 682 P HA -0.073 nan 4.420 nan 0.000 0.265 682 P C 0.250 177.596 177.300 0.076 0.000 1.187 682 P CA 0.316 63.494 63.100 0.130 0.000 0.766 682 P CB 0.513 32.304 31.700 0.152 0.000 0.820 683 E N 0.519 120.737 120.200 0.030 0.000 2.160 683 E HA -0.181 2.040 4.350 -3.548 0.000 0.195 683 E C 0.041 176.300 176.600 -0.569 0.000 0.991 683 E CA 1.338 57.583 56.400 -0.259 0.000 0.810 683 E CB 0.006 29.520 29.700 -0.309 0.000 0.742 683 E HN 0.628 nan 8.360 nan 0.000 0.466 684 H N -1.199 117.851 119.070 -0.033 0.000 2.906 684 H HA 0.130 2.557 4.556 -3.548 0.000 0.337 684 H C -0.603 174.764 175.328 0.066 0.000 1.257 684 H CA -1.002 54.905 56.048 -0.236 0.000 1.192 684 H CB 1.054 30.224 29.762 -0.987 0.000 1.912 684 H HN -0.039 nan 8.280 nan 0.000 0.573 685 D N -0.090 120.408 120.400 0.163 0.000 2.432 685 D HA 0.018 2.529 4.640 -3.548 0.000 0.258 685 D C 1.120 177.591 176.300 0.284 0.000 1.146 685 D CA -0.715 53.402 54.000 0.195 0.000 1.015 685 D CB 0.805 41.664 40.800 0.099 0.000 1.107 685 D HN 0.365 nan 8.370 nan 0.000 0.529 686 L N -0.021 121.327 121.223 0.209 0.000 2.012 686 L HA -0.144 2.067 4.340 -3.548 0.000 0.210 686 L C 2.069 178.972 176.870 0.055 0.000 1.073 686 L CA 2.181 57.127 54.840 0.178 0.000 0.748 686 L CB -1.168 40.945 42.059 0.091 0.000 0.891 686 L HN 0.669 nan 8.230 nan 0.000 0.431 687 E N -1.316 118.884 120.200 0.000 0.000 2.118 687 E HA -0.328 1.894 4.350 -3.548 0.000 0.195 687 E C 2.180 178.732 176.600 -0.080 0.000 0.992 687 E CA 1.716 58.068 56.400 -0.079 0.000 0.804 687 E CB -0.726 28.943 29.700 -0.052 0.000 0.741 687 E HN 0.644 nan 8.360 nan 0.000 0.458 688 Y N -0.560 119.636 120.300 -0.173 0.000 2.181 688 Y HA -0.248 2.173 4.550 -3.548 0.000 0.288 688 Y C 1.571 177.248 175.900 -0.372 0.000 1.146 688 Y CA 2.048 59.956 58.100 -0.320 0.000 1.164 688 Y CB -0.312 37.880 38.460 -0.447 0.000 0.982 688 Y HN 0.132 nan 8.280 nan 0.000 0.515 689 Y N -0.004 120.322 120.300 0.042 0.000 2.457 689 Y HA -0.057 2.365 4.550 -3.548 0.000 0.292 689 Y C 2.226 178.057 175.900 -0.116 0.000 1.125 689 Y CA 0.880 58.972 58.100 -0.014 0.000 1.254 689 Y CB -0.083 38.450 38.460 0.122 0.000 1.012 689 Y HN -0.001 nan 8.280 nan 0.000 0.555 690 K N -0.200 120.077 120.400 -0.205 0.000 2.097 690 K HA -0.211 1.980 4.320 -3.548 0.000 0.206 690 K C 2.170 178.656 176.600 -0.191 0.000 1.049 690 K CA 1.389 57.442 56.287 -0.391 0.000 0.933 690 K CB -0.197 31.917 32.500 -0.644 0.000 0.717 690 K HN 0.270 nan 8.250 nan 0.000 0.442 691 M N 1.288 120.746 119.600 -0.237 0.000 2.117 691 M HA -0.150 2.202 4.480 -3.548 0.000 0.262 691 M C 1.831 177.989 176.300 -0.237 0.000 1.065 691 M CA 1.659 56.814 55.300 -0.242 0.000 1.114 691 M CB -0.377 32.029 32.600 -0.323 0.000 1.361 691 M HN 0.158 nan 8.290 nan 0.000 0.408 692 L N 0.174 121.212 121.223 -0.309 0.000 2.131 692 L HA -0.148 2.063 4.340 -3.548 0.000 0.210 692 L C 2.671 179.514 176.870 -0.046 0.000 1.092 692 L CA 1.065 55.779 54.840 -0.210 0.000 0.759 692 L CB -0.994 40.944 42.059 -0.202 0.000 0.903 692 L HN 0.360 nan 8.230 nan 0.000 0.435 693 A N 0.051 122.888 122.820 0.028 0.000 1.969 693 A HA -0.165 2.026 4.320 -3.548 0.000 0.218 693 A C 2.350 179.970 177.584 0.061 0.000 1.169 693 A CA 1.211 53.299 52.037 0.086 0.000 0.635 693 A CB -0.363 18.796 19.000 0.265 0.000 0.810 693 A HN 0.340 nan 8.150 nan 0.000 0.445 694 R N -0.861 119.655 120.500 0.027 0.000 2.193 694 R HA -0.031 2.180 4.340 -3.548 0.000 0.213 694 R C 1.732 178.039 176.300 0.012 0.000 1.055 694 R CA 1.554 57.666 56.100 0.021 0.000 0.995 694 R CB -0.138 30.157 30.300 -0.007 0.000 0.893 694 R HN 0.716 nan 8.270 nan 0.000 0.459 695 T N -3.875 110.674 114.554 -0.008 0.000 2.975 695 T HA 0.108 2.329 4.350 -3.548 0.000 0.257 695 T C 0.761 175.485 174.700 0.041 0.000 1.003 695 T CA -0.218 61.883 62.100 0.002 0.000 0.932 695 T CB 0.481 69.323 68.868 -0.044 0.000 1.087 695 T HN -0.189 nan 8.240 nan 0.000 0.512 696 T N 3.323 117.908 114.554 0.052 0.000 2.814 696 T HA 0.278 2.499 4.350 -3.548 0.000 0.297 696 T C -0.614 174.179 174.700 0.155 0.000 0.956 696 T CA -0.386 61.779 62.100 0.108 0.000 1.123 696 T CB -0.015 68.918 68.868 0.108 0.000 0.902 696 T HN 0.360 nan 8.240 nan 0.000 0.528 697 Y N 4.424 124.760 120.300 0.060 0.000 2.810 697 Y HA 0.160 2.582 4.550 -3.547 0.000 0.332 697 Y C -0.187 175.717 175.900 0.006 0.000 1.243 697 Y CA -0.092 58.032 58.100 0.040 0.000 1.537 697 Y CB 0.277 38.755 38.460 0.031 0.000 1.265 697 Y HN 0.342 nan 8.280 nan 0.000 0.572 698 V N 9.905 129.410 119.914 -0.683 0.000 2.333 698 V HA 0.242 2.233 4.120 -3.548 0.000 0.274 698 V C -1.998 173.563 176.094 -0.888 0.000 1.028 698 V CA -1.636 60.299 62.300 -0.608 0.000 0.851 698 V CB 1.170 32.871 31.823 -0.203 0.000 1.000 698 V HN 0.720 nan 8.190 nan 0.000 0.456 699 P HA 0.300 nan 4.420 nan 0.000 0.225 699 P C -0.403 176.984 177.300 0.145 0.000 1.830 699 P CA 0.110 63.062 63.100 -0.245 0.000 1.051 699 P CB 0.381 32.059 31.700 -0.036 0.000 1.929 700 E N 2.518 122.770 120.200 0.088 0.000 2.291 700 E HA 0.269 2.490 4.350 -3.548 0.000 0.276 700 E C -2.299 174.370 176.600 0.116 0.000 0.896 700 E CA -2.209 54.281 56.400 0.150 0.000 0.774 700 E CB 2.351 32.123 29.700 0.121 0.000 1.227 700 E HN -0.088 nan 8.360 nan 0.000 0.413 701 P HA -0.091 nan 4.420 nan 0.000 0.217 701 P C 0.850 178.217 177.300 0.113 0.000 1.150 701 P CA 0.708 63.875 63.100 0.111 0.000 0.832 701 P CB 0.026 31.788 31.700 0.105 0.000 0.787 702 W N 0.007 121.287 121.300 -0.034 0.000 2.379 702 W HA -0.095 2.444 4.660 -3.536 0.000 0.307 702 W C 1.203 177.703 176.519 -0.032 0.000 1.200 702 W CA 1.325 58.646 57.345 -0.041 0.000 1.297 702 W CB -0.805 28.612 29.460 -0.071 0.000 1.140 702 W HN -0.080 nan 8.180 nan 0.000 0.507 703 H N 1.483 120.418 119.070 -0.224 0.000 2.764 703 H HA 0.048 2.475 4.556 -3.549 0.000 0.341 703 H C -1.610 173.486 175.328 -0.387 0.000 1.072 703 H CA -0.825 54.880 56.048 -0.570 0.000 1.444 703 H CB 1.387 31.038 29.762 -0.185 0.000 1.458 703 H HN -0.093 nan 8.280 nan 0.000 0.572 704 P HA -0.112 nan 4.420 nan 0.000 0.221 704 P C 1.095 178.346 177.300 -0.081 0.000 1.145 704 P CA 1.487 64.359 63.100 -0.381 0.000 0.795 704 P CB 0.044 31.473 31.700 -0.450 0.000 0.775 705 A N 0.376 123.310 122.820 0.189 0.000 1.978 705 A HA -0.206 1.985 4.320 -3.548 0.000 0.220 705 A C 2.284 179.900 177.584 0.053 0.000 1.170 705 A CA 2.163 54.293 52.037 0.155 0.000 0.636 705 A CB -1.552 17.552 19.000 0.173 0.000 0.810 705 A HN 0.371 nan 8.150 nan 0.000 0.448 706 S N -0.938 114.775 115.700 0.022 0.000 2.474 706 S HA -0.028 2.313 4.470 -3.548 0.000 0.235 706 S C 1.514 176.166 174.600 0.087 0.000 0.997 706 S CA 1.284 59.466 58.200 -0.030 0.000 0.949 706 S CB -0.295 62.878 63.200 -0.045 0.000 0.766 706 S HN 0.376 nan 8.310 nan 0.000 0.517 707 S N 1.165 116.893 115.700 0.046 0.000 2.556 707 S HA 0.285 2.626 4.470 -3.548 0.000 0.216 707 S C 0.632 175.259 174.600 0.044 0.000 0.970 707 S CA -0.202 58.026 58.200 0.048 0.000 0.912 707 S CB 0.092 63.294 63.200 0.003 0.000 0.790 707 S HN 0.576 nan 8.310 nan 0.000 0.504 708 S N 1.726 117.455 115.700 0.049 0.000 2.516 708 S HA 0.159 2.500 4.470 -3.548 0.000 0.282 708 S C 0.882 175.512 174.600 0.051 0.000 1.286 708 S CA -0.356 57.869 58.200 0.042 0.000 1.066 708 S CB 0.305 63.532 63.200 0.046 0.000 0.884 708 S HN 0.370 nan 8.310 nan 0.000 0.491 709 R N 3.130 123.650 120.500 0.035 0.000 2.356 709 R HA 0.166 2.377 4.340 -3.548 0.000 0.234 709 R C -0.110 176.203 176.300 0.023 0.000 0.929 709 R CA -0.197 55.921 56.100 0.030 0.000 1.084 709 R CB 0.091 30.404 30.300 0.021 0.000 1.105 709 R HN 0.439 nan 8.270 nan 0.000 0.515 710 V N 1.829 121.757 119.914 0.024 0.000 2.617 710 V HA -0.071 1.920 4.120 -3.548 0.000 0.304 710 V C 1.134 177.233 176.094 0.008 0.000 1.040 710 V CA 0.912 63.221 62.300 0.014 0.000 1.149 710 V CB 0.893 32.725 31.823 0.015 0.000 0.914 710 V HN 0.373 nan 8.190 nan 0.000 0.487 711 L N 4.590 125.810 121.223 -0.005 0.000 3.086 711 L HA 0.373 2.584 4.340 -3.548 0.000 0.274 711 L C 0.697 177.548 176.870 -0.032 0.000 1.184 711 L CA 0.276 55.108 54.840 -0.014 0.000 1.002 711 L CB 0.138 42.192 42.059 -0.009 0.000 1.383 711 L HN 0.588 nan 8.230 nan 0.000 0.582 712 K N 0.000 120.378 120.400 -0.037 0.000 2.780 712 K HA 0.000 2.191 4.320 -3.548 0.000 0.191 712 K CA 0.000 56.255 56.287 -0.054 0.000 0.838 712 K CB 0.000 32.476 32.500 -0.039 0.000 1.064 712 K HN 0.000 nan 8.250 nan 0.000 0.543