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 3lt1_1_B DATA FIRST_RESID 96 DATA SEQUENCE NEDICFIAGI GDTNGYGWGI AKELSKRNVK IIFGIWPPVY NIFMKNYKNG DATA SEQUENCE KFDNDMIIDK DKKMNILDML PFDASFDTAN DIDEETKNNK RYNMLQNYTI DATA SEQUENCE EDVANLIHQK YGKINMLVHS LANAKEVQKD LLNTSRKGYL DALSKSSYSL DATA SEQUENCE ISLCKYFVNI MKPQSSIISL TYHASQKVVP GYGGGMSSAK AALESDTRVL DATA SEQUENCE AYHLGRNYNI RINTISAGPL KSRAATAINK LXXXXXXXXX XXXXXXXXXX DATA SEQUENCE XXXXXXXXXX XXXXXXXXXX XTFIDYAIEY SEKYAPLRQK LLSTDIGSVA DATA SEQUENCE SFLLSRESRA ITGQTIYVDN GLNIMFLPD 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 96 N HA 0.000 nan 4.740 nan 0.000 0.220 96 N C 0.000 175.516 175.510 0.010 0.000 1.280 96 N CA 0.000 53.055 53.050 0.008 0.000 0.885 96 N CB 0.000 38.493 38.487 0.010 0.000 1.341 97 E N 0.379 120.584 120.200 0.008 0.000 2.230 97 E HA -0.142 4.208 4.350 -0.000 0.000 0.206 97 E C -0.534 176.070 176.600 0.008 0.000 1.309 97 E CA 0.999 57.405 56.400 0.010 0.000 0.697 97 E CB -2.302 nan 29.700 nan 0.000 1.146 97 E HN 0.895 nan 8.360 nan 0.000 0.363 98 D N -0.346 120.053 120.400 -0.001 0.000 2.317 98 D HA 0.566 5.206 4.640 -0.000 0.000 0.252 98 D C 0.573 176.865 176.300 -0.013 0.000 1.174 98 D CA -0.018 53.980 54.000 -0.003 0.000 0.866 98 D CB 0.671 41.467 40.800 -0.008 0.000 1.127 98 D HN 0.635 nan 8.370 nan 0.000 0.467 99 I N 1.756 122.323 120.570 -0.005 0.000 2.465 99 I HA 0.265 4.435 4.170 -0.000 0.000 0.291 99 I C -0.313 175.810 176.117 0.010 0.000 1.014 99 I CA -0.826 60.463 61.300 -0.019 0.000 1.093 99 I CB 2.204 40.188 38.000 -0.026 0.000 1.267 99 I HN 0.236 nan 8.210 nan 0.000 0.431 100 C N 6.875 126.176 119.300 0.002 0.000 2.369 100 C HA 0.523 4.983 4.460 -0.000 0.000 0.322 100 C C -0.503 174.538 174.990 0.086 0.000 1.258 100 C CA -0.723 58.313 59.018 0.029 0.000 1.487 100 C CB 0.410 28.143 27.740 -0.012 0.000 2.165 100 C HN 0.722 nan 8.230 nan 0.000 0.483 101 F N 7.060 126.975 119.950 -0.059 0.000 2.405 101 F HA 0.660 5.187 4.527 -0.000 0.000 0.355 101 F C -0.192 175.524 175.800 -0.140 0.000 1.121 101 F CA -0.512 57.436 58.000 -0.086 0.000 1.112 101 F CB 0.534 39.483 39.000 -0.085 0.000 1.126 101 F HN 0.493 nan 8.300 nan 0.000 0.481 102 I N 7.106 127.299 120.570 -0.629 0.000 2.330 102 I HA 0.325 4.495 4.170 -0.000 0.000 0.286 102 I C -0.139 175.398 176.117 -0.967 0.000 1.025 102 I CA -0.641 60.300 61.300 -0.598 0.000 1.197 102 I CB 1.172 39.003 38.000 -0.281 0.000 1.358 102 I HN 0.695 nan 8.210 nan 0.000 0.467 103 A N 5.233 127.470 122.820 -0.971 0.000 2.310 103 A HA 0.671 4.991 4.320 -0.000 0.000 0.300 103 A C 0.751 178.120 177.584 -0.358 0.000 1.269 103 A CA -0.001 51.578 52.037 -0.763 0.000 0.909 103 A CB 0.007 18.621 19.000 -0.644 0.000 1.144 103 A HN 1.070 nan 8.150 nan 0.000 0.540 104 G N 1.960 110.619 108.800 -0.235 0.000 2.905 104 G HA2 -0.016 3.944 3.960 -0.000 0.000 0.210 104 G HA3 -0.016 3.944 3.960 -0.000 0.000 0.210 104 G C -0.767 173.997 174.900 -0.227 0.000 0.991 104 G CA -0.391 44.594 45.100 -0.191 0.000 1.210 104 G HN 0.800 nan 8.290 nan 0.000 0.602 105 I N 0.633 121.041 120.570 -0.269 0.000 2.534 105 I HA 0.600 4.770 4.170 -0.000 0.000 0.288 105 I C 1.030 176.944 176.117 -0.338 0.000 1.077 105 I CA -0.290 60.791 61.300 -0.365 0.000 1.051 105 I CB 2.156 39.726 38.000 -0.717 0.000 1.234 105 I HN 0.371 nan 8.210 nan 0.000 0.425 106 G N 3.790 112.490 108.800 -0.167 0.000 2.958 106 G HA2 0.299 4.259 3.960 -0.000 0.000 0.225 106 G HA3 0.299 4.259 3.960 -0.000 0.000 0.225 106 G C -0.353 174.684 174.900 0.228 0.000 1.036 106 G CA 0.332 45.435 45.100 0.004 0.000 0.880 106 G HN 0.703 nan 8.290 nan 0.000 0.557 107 D N -2.390 118.075 120.400 0.109 0.000 3.010 107 D HA 0.216 4.856 4.640 -0.000 0.000 0.353 107 D C 0.493 176.561 176.300 -0.387 0.000 1.415 107 D CA 0.314 54.280 54.000 -0.056 0.000 0.864 107 D CB -0.085 40.685 40.800 -0.051 0.000 1.445 107 D HN -0.020 nan 8.370 nan 0.000 0.516 108 T N -3.304 110.795 114.554 -0.757 0.000 3.145 108 T HA 0.265 4.615 4.350 -0.000 0.000 0.255 108 T C 0.179 174.594 174.700 -0.476 0.000 1.039 108 T CA -0.207 61.240 62.100 -1.088 0.000 0.928 108 T CB -0.490 67.322 68.868 -1.760 0.000 1.029 108 T HN 0.306 nan 8.240 nan 0.000 0.554 109 N N 0.851 119.397 118.700 -0.257 0.000 2.236 109 N HA 0.258 4.998 4.740 -0.000 0.000 0.196 109 N C 0.880 176.308 175.510 -0.137 0.000 1.114 109 N CA 0.082 53.036 53.050 -0.160 0.000 0.859 109 N CB 1.022 39.432 38.487 -0.128 0.000 0.982 109 N HN 0.635 nan 8.380 nan 0.000 0.493 110 G N -1.086 107.652 108.800 -0.103 0.000 2.753 110 G HA2 0.272 4.232 3.960 -0.000 0.000 0.285 110 G HA3 0.272 4.232 3.960 -0.000 0.000 0.285 110 G C 0.093 174.935 174.900 -0.096 0.000 1.344 110 G CA -0.251 44.770 45.100 -0.133 0.000 1.050 110 G HN -0.003 nan 8.290 nan 0.000 0.532 111 Y N 0.517 120.822 120.300 0.008 0.000 2.337 111 Y HA 0.058 4.608 4.550 -0.000 0.000 0.293 111 Y C 2.903 178.793 175.900 -0.018 0.000 1.123 111 Y CA 1.122 59.225 58.100 0.006 0.000 1.201 111 Y CB -0.504 37.953 38.460 -0.004 0.000 1.011 111 Y HN 0.514 nan 8.280 nan 0.000 0.545 112 G N -0.177 108.674 108.800 0.086 0.000 2.505 112 G HA2 -0.306 3.654 3.960 -0.000 0.000 0.220 112 G HA3 -0.306 3.654 3.960 -0.000 0.000 0.220 112 G C 1.682 176.545 174.900 -0.063 0.000 1.145 112 G CA 0.860 45.931 45.100 -0.049 0.000 0.761 112 G HN 0.550 nan 8.290 nan 0.000 0.571 113 W N 1.708 122.908 121.300 -0.168 0.000 2.381 113 W HA -0.052 4.608 4.660 -0.000 0.000 0.301 113 W C 2.416 178.913 176.519 -0.036 0.000 1.205 113 W CA 1.365 58.627 57.345 -0.138 0.000 1.285 113 W CB -0.379 28.993 29.460 -0.147 0.000 1.133 113 W HN 0.248 nan 8.180 nan 0.000 0.521 114 G N 1.018 109.902 108.800 0.140 0.000 2.418 114 G HA2 -0.277 3.683 3.960 -0.000 0.000 0.217 114 G HA3 -0.277 3.683 3.960 -0.000 0.000 0.217 114 G C 1.514 176.423 174.900 0.015 0.000 1.158 114 G CA 1.295 46.453 45.100 0.098 0.000 0.771 114 G HN 0.266 nan 8.290 nan 0.000 0.545 115 I N 1.407 121.983 120.570 0.010 0.000 2.179 115 I HA -0.150 4.020 4.170 -0.000 0.000 0.242 115 I C 3.307 179.374 176.117 -0.084 0.000 1.088 115 I CA 0.975 62.258 61.300 -0.027 0.000 1.357 115 I CB -0.256 37.725 38.000 -0.031 0.000 1.051 115 I HN 0.232 nan 8.210 nan 0.000 0.409 116 A N 0.715 123.444 122.820 -0.152 0.000 1.883 116 A HA -0.304 4.016 4.320 -0.000 0.000 0.217 116 A C 2.376 179.830 177.584 -0.216 0.000 1.186 116 A CA 2.226 54.157 52.037 -0.176 0.000 0.624 116 A CB -0.625 18.237 19.000 -0.231 0.000 0.822 116 A HN 0.353 nan 8.150 nan 0.000 0.444 117 K N -0.723 119.500 120.400 -0.295 0.000 2.026 117 K HA -0.175 4.145 4.320 -0.000 0.000 0.208 117 K C 1.962 178.511 176.600 -0.085 0.000 1.048 117 K CA 1.573 57.739 56.287 -0.203 0.000 0.929 117 K CB -0.102 32.301 32.500 -0.163 0.000 0.713 117 K HN 0.410 nan 8.250 nan 0.000 0.439 118 E N 0.682 120.850 120.200 -0.054 0.000 2.106 118 E HA -0.171 4.178 4.350 -0.000 0.000 0.192 118 E C 2.108 178.695 176.600 -0.022 0.000 0.984 118 E CA 0.947 57.336 56.400 -0.018 0.000 0.806 118 E CB -0.116 29.586 29.700 0.004 0.000 0.750 118 E HN 0.366 nan 8.360 nan 0.000 0.458 119 L N 0.392 121.592 121.223 -0.038 0.000 2.093 119 L HA -0.116 4.224 4.340 -0.000 0.000 0.208 119 L C 2.644 179.491 176.870 -0.038 0.000 1.085 119 L CA 0.790 55.610 54.840 -0.034 0.000 0.755 119 L CB -0.345 41.689 42.059 -0.041 0.000 0.904 119 L HN 0.037 nan 8.230 nan 0.000 0.435 120 S N -0.204 115.462 115.700 -0.057 0.000 2.370 120 S HA -0.215 4.255 4.470 -0.000 0.000 0.226 120 S C 1.976 176.559 174.600 -0.029 0.000 1.033 120 S CA 1.396 59.564 58.200 -0.054 0.000 1.011 120 S CB -0.062 63.091 63.200 -0.077 0.000 0.852 120 S HN 0.289 nan 8.310 nan 0.000 0.457 121 K N -0.053 120.334 120.400 -0.021 0.000 2.218 121 K HA -0.056 4.264 4.320 -0.000 0.000 0.205 121 K C 1.508 178.108 176.600 -0.001 0.000 1.046 121 K CA 1.059 57.343 56.287 -0.005 0.000 0.933 121 K CB -0.031 32.470 32.500 0.002 0.000 0.728 121 K HN 0.109 nan 8.250 nan 0.000 0.454 122 R N 0.637 121.135 120.500 -0.004 0.000 2.426 122 R HA 0.131 4.471 4.340 -0.000 0.000 0.263 122 R C -0.340 175.957 176.300 -0.004 0.000 0.961 122 R CA -0.004 56.097 56.100 0.001 0.000 1.086 122 R CB 0.090 30.394 30.300 0.006 0.000 1.186 122 R HN 0.183 nan 8.270 nan 0.000 0.537 123 N N -0.899 117.795 118.700 -0.010 0.000 2.741 123 N HA -0.158 4.582 4.740 -0.000 0.000 0.250 123 N C -0.801 174.697 175.510 -0.020 0.000 1.115 123 N CA 0.820 53.862 53.050 -0.013 0.000 0.724 123 N CB -1.659 36.825 38.487 -0.005 0.000 1.090 123 N HN 0.019 nan 8.380 nan 0.000 0.558 124 V N 0.985 120.883 119.914 -0.027 0.000 2.530 124 V HA 0.080 4.200 4.120 -0.000 0.000 0.282 124 V C 1.066 177.128 176.094 -0.053 0.000 1.048 124 V CA -0.218 62.062 62.300 -0.033 0.000 0.997 124 V CB 1.182 32.986 31.823 -0.031 0.000 0.987 124 V HN 0.047 nan 8.190 nan 0.000 0.477 125 K N 4.979 125.342 120.400 -0.062 0.000 2.322 125 K HA 0.396 4.716 4.320 -0.000 0.000 0.283 125 K C -0.654 175.874 176.600 -0.120 0.000 1.042 125 K CA -0.334 55.894 56.287 -0.099 0.000 0.958 125 K CB 0.615 33.047 32.500 -0.113 0.000 0.984 125 K HN 0.400 nan 8.250 nan 0.000 0.473 126 I N 4.883 125.355 120.570 -0.163 0.000 2.359 126 I HA 0.317 4.487 4.170 -0.000 0.000 0.294 126 I C 0.132 176.099 176.117 -0.249 0.000 0.987 126 I CA -0.632 60.561 61.300 -0.178 0.000 1.225 126 I CB 0.880 38.747 38.000 -0.221 0.000 1.366 126 I HN 0.497 nan 8.210 nan 0.000 0.466 127 I N 6.141 126.651 120.570 -0.101 0.000 2.406 127 I HA 0.377 4.547 4.170 -0.000 0.000 0.290 127 I C -0.446 175.761 176.117 0.151 0.000 0.999 127 I CA -0.428 60.865 61.300 -0.011 0.000 1.124 127 I CB 1.349 39.443 38.000 0.156 0.000 1.289 127 I HN 0.295 nan 8.210 nan 0.000 0.441 128 F N 3.311 123.254 119.950 -0.012 0.000 2.408 128 F HA 0.513 5.040 4.527 -0.000 0.000 0.344 128 F C 1.009 176.794 175.800 -0.025 0.000 1.112 128 F CA -0.909 57.009 58.000 -0.137 0.000 1.096 128 F CB 1.840 40.758 39.000 -0.136 0.000 1.129 128 F HN 0.470 nan 8.300 nan 0.000 0.486 129 G N 4.881 113.632 108.800 -0.082 0.000 2.384 129 G HA2 0.620 4.580 3.960 -0.000 0.000 0.316 129 G HA3 0.620 4.580 3.960 -0.000 0.000 0.316 129 G C -1.002 174.003 174.900 0.175 0.000 1.160 129 G CA -0.450 44.729 45.100 0.131 0.000 0.936 129 G HN 0.572 nan 8.290 nan 0.000 0.455 130 I N 1.925 122.669 120.570 0.290 0.000 2.406 130 I HA 0.261 4.431 4.170 -0.000 0.000 0.290 130 I C -0.423 175.880 176.117 0.310 0.000 0.999 130 I CA -1.000 60.431 61.300 0.218 0.000 1.124 130 I CB 2.030 40.146 38.000 0.193 0.000 1.289 130 I HN 0.440 nan 8.210 nan 0.000 0.441 131 W N 9.418 130.745 121.300 0.045 0.000 2.264 131 W HA 0.202 4.861 4.660 -0.000 0.000 0.331 131 W C -1.983 174.493 176.519 -0.072 0.000 1.364 131 W CA -1.779 55.552 57.345 -0.024 0.000 1.253 131 W CB 0.470 29.912 29.460 -0.031 0.000 1.215 131 W HN 0.377 nan 8.180 nan 0.000 0.561 132 P HA -0.163 nan 4.420 nan 0.000 0.218 132 P C -1.291 175.658 177.300 -0.585 0.000 1.148 132 P CA 2.257 64.970 63.100 -0.646 0.000 0.822 132 P CB -0.580 30.267 31.700 -1.421 0.000 0.784 133 P HA -0.117 nan 4.420 nan 0.000 0.221 133 P C 1.134 178.291 177.300 -0.238 0.000 1.145 133 P CA 1.314 64.081 63.100 -0.555 0.000 0.795 133 P CB -0.292 30.873 31.700 -0.892 0.000 0.775 134 V N -6.435 113.419 119.914 -0.100 0.000 3.432 134 V HA 0.209 4.329 4.120 -0.000 0.000 0.298 134 V C 1.770 177.963 176.094 0.165 0.000 1.464 134 V CA -0.300 62.039 62.300 0.066 0.000 1.046 134 V CB -1.244 30.665 31.823 0.142 0.000 0.887 134 V HN -0.070 nan 8.190 nan 0.000 0.441 135 Y N 2.855 123.162 120.300 0.012 0.000 2.097 135 Y HA -0.200 4.350 4.550 -0.000 0.000 0.282 135 Y C 2.102 178.092 175.900 0.149 0.000 1.152 135 Y CA 2.723 60.872 58.100 0.082 0.000 1.136 135 Y CB -0.480 37.976 38.460 -0.007 0.000 0.975 135 Y HN 0.406 nan 8.280 nan 0.000 0.498 136 N N 0.185 118.897 118.700 0.020 0.000 2.142 136 N HA -0.171 4.569 4.740 -0.000 0.000 0.186 136 N C 2.069 177.555 175.510 -0.040 0.000 1.023 136 N CA 1.356 54.366 53.050 -0.067 0.000 0.852 136 N CB -0.309 38.191 38.487 0.023 0.000 0.998 136 N HN 0.581 nan 8.380 nan 0.000 0.424 137 I N -0.335 120.249 120.570 0.023 0.000 2.286 137 I HA -0.221 3.949 4.170 -0.000 0.000 0.248 137 I C 1.900 178.057 176.117 0.068 0.000 1.115 137 I CA 1.163 62.482 61.300 0.032 0.000 1.392 137 I CB -0.147 37.881 38.000 0.047 0.000 1.065 137 I HN 0.032 nan 8.210 nan 0.000 0.418 138 F N 1.412 121.377 119.950 0.026 0.000 2.069 138 F HA -0.267 4.259 4.527 -0.000 0.000 0.298 138 F C 2.389 178.247 175.800 0.097 0.000 1.113 138 F CA 2.007 60.087 58.000 0.134 0.000 1.214 138 F CB -0.225 38.858 39.000 0.138 0.000 0.978 138 F HN 0.023 nan 8.300 nan 0.000 0.474 139 M N 0.956 120.599 119.600 0.073 0.000 2.086 139 M HA -0.168 4.312 4.480 -0.000 0.000 0.261 139 M C 2.492 178.780 176.300 -0.020 0.000 1.067 139 M CA 2.286 57.598 55.300 0.020 0.000 1.116 139 M CB -1.846 30.660 32.600 -0.158 0.000 1.348 139 M HN 0.232 nan 8.290 nan 0.000 0.407 140 K N 0.663 121.013 120.400 -0.084 0.000 2.002 140 K HA -0.150 4.170 4.320 -0.000 0.000 0.209 140 K C 1.743 178.213 176.600 -0.217 0.000 1.048 140 K CA 1.846 58.064 56.287 -0.114 0.000 0.930 140 K CB -1.564 30.882 32.500 -0.091 0.000 0.714 140 K HN 0.414 nan 8.250 nan 0.000 0.438 141 N N -0.621 117.889 118.700 -0.318 0.000 2.094 141 N HA -0.173 4.567 4.740 -0.000 0.000 0.191 141 N C 1.740 176.752 175.510 -0.830 0.000 1.023 141 N CA 1.872 54.550 53.050 -0.620 0.000 0.857 141 N CB -0.507 37.490 38.487 -0.817 0.000 1.013 141 N HN 0.646 nan 8.380 nan 0.000 0.426 142 Y N 1.691 121.500 120.300 -0.818 0.000 2.114 142 Y HA -0.134 4.416 4.550 -0.000 0.000 0.284 142 Y C 2.307 178.046 175.900 -0.269 0.000 1.143 142 Y CA 1.639 59.422 58.100 -0.529 0.000 1.135 142 Y CB -0.316 38.040 38.460 -0.174 0.000 0.980 142 Y HN -0.081 nan 8.280 nan 0.000 0.499 143 K N 0.088 120.332 120.400 -0.261 0.000 2.032 143 K HA -0.182 4.138 4.320 -0.000 0.000 0.209 143 K C 1.279 177.718 176.600 -0.269 0.000 1.048 143 K CA 1.603 57.732 56.287 -0.263 0.000 0.927 143 K CB -0.238 32.205 32.500 -0.095 0.000 0.712 143 K HN 0.306 nan 8.250 nan 0.000 0.441 144 N N 0.218 118.767 118.700 -0.251 0.000 2.551 144 N HA -0.016 4.724 4.740 -0.000 0.000 0.199 144 N C 0.544 175.907 175.510 -0.245 0.000 1.277 144 N CA 1.069 53.988 53.050 -0.218 0.000 0.870 144 N CB 0.249 38.621 38.487 -0.193 0.000 1.028 144 N HN 0.405 nan 8.380 nan 0.000 0.452 145 G N 0.041 108.655 108.800 -0.310 0.000 2.203 145 G HA2 -0.429 3.531 3.960 -0.000 0.000 0.263 145 G HA3 -0.429 3.531 3.960 -0.000 0.000 0.263 145 G C 1.269 176.024 174.900 -0.241 0.000 1.012 145 G CA 1.131 46.073 45.100 -0.263 0.000 0.749 145 G HN 0.642 nan 8.290 nan 0.000 0.512 146 K N -0.853 119.315 120.400 -0.387 0.000 2.362 146 K HA 0.355 4.675 4.320 -0.000 0.000 0.200 146 K C 1.646 178.140 176.600 -0.177 0.000 1.046 146 K CA 1.753 57.825 56.287 -0.357 0.000 0.952 146 K CB -0.421 31.777 32.500 -0.505 0.000 0.753 146 K HN 0.568 nan 8.250 nan 0.000 0.466 147 F N 1.151 121.044 119.950 -0.095 0.000 2.695 147 F HA 0.183 4.710 4.527 -0.000 0.000 0.303 147 F C 1.207 177.039 175.800 0.053 0.000 1.091 147 F CA -1.063 56.894 58.000 -0.071 0.000 1.300 147 F CB 0.269 39.240 39.000 -0.049 0.000 1.071 147 F HN 0.144 nan 8.300 nan 0.000 0.578 148 D N 0.732 121.234 120.400 0.169 0.000 2.123 148 D HA -0.215 4.425 4.640 -0.000 0.000 0.196 148 D C 2.227 178.615 176.300 0.147 0.000 0.992 148 D CA 1.614 55.698 54.000 0.140 0.000 0.833 148 D CB -0.785 40.039 40.800 0.041 0.000 0.954 148 D HN 0.420 nan 8.370 nan 0.000 0.455 149 N N 1.714 120.481 118.700 0.110 0.000 2.069 149 N HA -0.177 4.563 4.740 -0.000 0.000 0.191 149 N C 1.568 177.166 175.510 0.146 0.000 1.031 149 N CA 1.742 54.851 53.050 0.099 0.000 0.852 149 N CB -0.742 37.782 38.487 0.060 0.000 1.018 149 N HN 0.108 nan 8.380 nan 0.000 0.423 150 D N -0.462 120.039 120.400 0.169 0.000 2.309 150 D HA -0.026 4.614 4.640 -0.000 0.000 0.212 150 D C 1.447 178.042 176.300 0.492 0.000 0.968 150 D CA 0.640 54.779 54.000 0.232 0.000 0.882 150 D CB -0.134 40.648 40.800 -0.029 0.000 0.918 150 D HN 0.597 nan 8.370 nan 0.000 0.503 151 M N 0.215 120.084 119.600 0.449 0.000 2.561 151 M HA 0.040 4.520 4.480 -0.000 0.000 0.238 151 M C -0.027 176.407 176.300 0.223 0.000 1.131 151 M CA 0.045 55.589 55.300 0.407 0.000 1.046 151 M CB 0.702 33.547 32.600 0.407 0.000 1.532 151 M HN -0.208 nan 8.290 nan 0.000 0.497 152 I N 0.878 121.560 120.570 0.185 0.000 2.452 152 I HA 0.057 4.227 4.170 -0.000 0.000 0.287 152 I C 0.903 177.082 176.117 0.102 0.000 1.079 152 I CA 0.358 61.730 61.300 0.120 0.000 1.387 152 I CB 0.045 38.102 38.000 0.096 0.000 1.404 152 I HN 0.206 nan 8.210 nan 0.000 0.522 153 I N 4.015 124.629 120.570 0.074 0.000 4.518 153 I HA 0.006 4.176 4.170 -0.000 0.000 0.231 153 I C 2.267 178.411 176.117 0.044 0.000 1.003 153 I CA 1.099 62.432 61.300 0.055 0.000 1.610 153 I CB -0.436 37.586 38.000 0.037 0.000 1.481 153 I HN 0.613 nan 8.210 nan 0.000 0.462 154 D N 0.765 121.186 120.400 0.035 0.000 2.363 154 D HA 0.146 4.785 4.640 -0.000 0.000 0.220 154 D C 1.636 177.954 176.300 0.029 0.000 0.994 154 D CA 1.452 55.469 54.000 0.029 0.000 0.890 154 D CB -0.275 40.539 40.800 0.023 0.000 0.906 154 D HN 0.395 nan 8.370 nan 0.000 0.530 155 K N -2.547 117.873 120.400 0.035 0.000 3.606 155 K HA -0.207 4.113 4.320 -0.000 0.000 0.289 155 K C 1.197 177.814 176.600 0.028 0.000 1.221 155 K CA 2.827 59.134 56.287 0.032 0.000 1.028 155 K CB -2.894 29.623 32.500 0.028 0.000 1.299 155 K HN 1.450 nan 8.250 nan 0.000 0.454 156 D N -0.833 119.582 120.400 0.026 0.000 2.479 156 D HA 0.560 5.200 4.640 -0.000 0.000 0.218 156 D C 0.523 176.838 176.300 0.025 0.000 1.177 156 D CA 1.664 55.678 54.000 0.023 0.000 0.830 156 D CB 0.234 nan 40.800 nan 0.000 1.014 156 D HN 1.650 nan 8.370 nan 0.000 0.503 157 K N -0.543 119.875 120.400 0.030 0.000 2.535 157 K HA 0.797 5.117 4.320 -0.000 0.000 0.251 157 K C -0.649 175.976 176.600 0.042 0.000 0.942 157 K CA -0.116 56.189 56.287 0.031 0.000 0.798 157 K CB 0.956 33.471 32.500 0.025 0.000 1.267 157 K HN 0.889 nan 8.250 nan 0.000 0.434 158 K N 2.289 122.716 120.400 0.045 0.000 2.371 158 K HA 0.837 5.157 4.320 -0.000 0.000 0.251 158 K C 0.243 176.875 176.600 0.054 0.000 0.934 158 K CA -0.704 55.622 56.287 0.065 0.000 0.798 158 K CB 1.132 33.678 32.500 0.076 0.000 1.204 158 K HN 0.766 nan 8.250 nan 0.000 0.427 159 M N 1.585 121.222 119.600 0.062 0.000 2.250 159 M HA 0.173 4.653 4.480 -0.000 0.000 0.337 159 M C 0.876 177.189 176.300 0.023 0.000 1.161 159 M CA 0.617 55.926 55.300 0.015 0.000 1.088 159 M CB 0.119 32.706 32.600 -0.022 0.000 1.639 159 M HN 0.922 nan 8.290 nan 0.000 0.447 160 N N 4.026 122.713 118.700 -0.023 0.000 2.407 160 N HA 0.679 5.419 4.740 -0.000 0.000 0.277 160 N C -1.100 174.349 175.510 -0.101 0.000 0.995 160 N CA -0.707 52.328 53.050 -0.025 0.000 0.903 160 N CB 1.053 39.529 38.487 -0.019 0.000 1.218 160 N HN 0.669 nan 8.380 nan 0.000 0.487 161 I N 2.263 122.761 120.570 -0.121 0.000 2.355 161 I HA 0.215 4.385 4.170 -0.000 0.000 0.288 161 I C 1.141 177.134 176.117 -0.208 0.000 0.999 161 I CA -0.499 60.624 61.300 -0.294 0.000 1.163 161 I CB 2.092 39.830 38.000 -0.438 0.000 1.316 161 I HN 0.624 nan 8.210 nan 0.000 0.454 162 L N 4.902 125.984 121.223 -0.234 0.000 2.093 162 L HA 0.164 4.503 4.340 -0.000 0.000 0.208 162 L C 0.237 177.036 176.870 -0.117 0.000 1.085 162 L CA 2.015 56.747 54.840 -0.179 0.000 0.755 162 L CB -0.148 41.728 42.059 -0.304 0.000 0.904 162 L HN 0.646 nan 8.230 nan 0.000 0.435 163 D N -2.001 118.302 120.400 -0.161 0.000 2.694 163 D HA 0.380 5.020 4.640 -0.000 0.000 0.260 163 D C -1.451 174.833 176.300 -0.027 0.000 1.250 163 D CA -0.309 53.685 54.000 -0.010 0.000 0.763 163 D CB 1.212 42.085 40.800 0.122 0.000 1.311 163 D HN -0.047 nan 8.370 nan 0.000 0.420 164 M N 1.946 121.620 119.600 0.123 0.000 2.183 164 M HA 0.417 4.897 4.480 -0.000 0.000 0.277 164 M C -1.557 174.961 176.300 0.364 0.000 0.995 164 M CA -0.587 54.856 55.300 0.239 0.000 0.969 164 M CB 1.926 34.669 32.600 0.239 0.000 1.659 164 M HN 0.100 nan 8.290 nan 0.000 0.462 165 L N 5.860 127.307 121.223 0.374 0.000 2.386 165 L HA 0.707 5.047 4.340 -0.000 0.000 0.271 165 L C -2.231 174.774 176.870 0.224 0.000 0.993 165 L CA -1.981 53.037 54.840 0.297 0.000 0.819 165 L CB 1.976 44.222 42.059 0.311 0.000 1.294 165 L HN 0.355 nan 8.230 nan 0.000 0.414 166 P HA 0.185 nan 4.420 nan 0.000 0.271 166 P C -1.179 176.282 177.300 0.268 0.000 1.216 166 P CA 0.014 62.996 63.100 -0.196 0.000 0.771 166 P CB 0.578 31.949 31.700 -0.549 0.000 0.864 167 F N 2.789 122.835 119.950 0.161 0.000 2.588 167 F HA 0.406 4.933 4.527 -0.000 0.000 0.318 167 F C -1.766 174.251 175.800 0.361 0.000 1.155 167 F CA -0.873 57.312 58.000 0.309 0.000 0.967 167 F CB 1.829 41.049 39.000 0.366 0.000 1.236 167 F HN 0.109 nan 8.300 nan 0.000 0.455 168 D N 4.568 124.810 120.400 -0.263 0.000 2.505 168 D HA 0.457 5.097 4.640 -0.000 0.000 0.250 168 D C 0.257 176.239 176.300 -0.531 0.000 1.164 168 D CA -0.061 53.847 54.000 -0.153 0.000 0.870 168 D CB 2.105 43.191 40.800 0.476 0.000 1.160 168 D HN 0.718 nan 8.370 nan 0.000 0.549 169 A N 2.574 124.924 122.820 -0.783 0.000 2.239 169 A HA -0.016 4.304 4.320 -0.000 0.000 0.209 169 A C 1.856 179.310 177.584 -0.218 0.000 1.171 169 A CA 0.605 52.360 52.037 -0.471 0.000 0.768 169 A CB -0.009 18.831 19.000 -0.267 0.000 0.790 169 A HN 0.468 nan 8.150 nan 0.000 0.478 170 S N -0.599 114.897 115.700 -0.340 0.000 2.428 170 S HA 0.104 4.574 4.470 -0.000 0.000 0.230 170 S C -0.110 174.215 174.600 -0.459 0.000 1.014 170 S CA 0.525 58.432 58.200 -0.489 0.000 0.957 170 S CB -0.224 62.417 63.200 -0.931 0.000 0.784 170 S HN 0.497 nan 8.310 nan 0.000 0.499 171 F N 1.702 121.694 119.950 0.070 0.000 2.426 171 F HA 0.419 4.946 4.527 -0.000 0.000 0.348 171 F C 0.816 176.651 175.800 0.059 0.000 1.124 171 F CA -1.702 56.340 58.000 0.070 0.000 1.008 171 F CB 1.026 40.073 39.000 0.079 0.000 1.139 171 F HN -0.121 nan 8.300 nan 0.000 0.452 172 D N 0.509 121.057 120.400 0.246 0.000 2.120 172 D HA -0.031 4.609 4.640 -0.000 0.000 0.202 172 D C 0.985 177.234 176.300 -0.085 0.000 0.972 172 D CA 1.481 55.568 54.000 0.144 0.000 0.837 172 D CB 0.205 41.177 40.800 0.287 0.000 0.989 172 D HN 0.572 nan 8.370 nan 0.000 0.469 173 T N -3.868 110.679 114.554 -0.012 0.000 2.864 173 T HA 0.608 4.958 4.350 -0.000 0.000 0.299 173 T C 1.000 175.655 174.700 -0.075 0.000 1.166 173 T CA -0.247 61.796 62.100 -0.095 0.000 1.007 173 T CB 2.125 70.961 68.868 -0.053 0.000 1.219 173 T HN -0.085 nan 8.240 nan 0.000 0.506 174 A N 1.624 124.366 122.820 -0.130 0.000 1.958 174 A HA -0.179 4.141 4.320 -0.000 0.000 0.221 174 A C 2.069 179.570 177.584 -0.137 0.000 1.178 174 A CA 2.037 53.970 52.037 -0.173 0.000 0.642 174 A CB -1.185 17.721 19.000 -0.157 0.000 0.816 174 A HN 0.850 nan 8.150 nan 0.000 0.453 175 N N 0.292 118.947 118.700 -0.076 0.000 2.453 175 N HA -0.093 4.647 4.740 -0.000 0.000 0.183 175 N C 0.632 176.124 175.510 -0.031 0.000 1.041 175 N CA 1.224 54.246 53.050 -0.048 0.000 0.900 175 N CB -0.309 38.169 38.487 -0.015 0.000 0.961 175 N HN 0.513 nan 8.380 nan 0.000 0.443 176 D N 0.671 121.066 120.400 -0.008 0.000 2.323 176 D HA 0.056 4.696 4.640 -0.000 0.000 0.209 176 D C 0.638 176.933 176.300 -0.009 0.000 0.973 176 D CA 0.140 54.179 54.000 0.065 0.000 0.874 176 D CB 0.545 41.465 40.800 0.200 0.000 0.930 176 D HN 0.289 nan 8.370 nan 0.000 0.521 177 I N 3.959 124.371 120.570 -0.264 0.000 2.505 177 I HA -0.042 4.128 4.170 -0.000 0.000 0.287 177 I C 0.821 176.765 176.117 -0.289 0.000 1.104 177 I CA -0.366 60.563 61.300 -0.618 0.000 1.387 177 I CB 0.335 37.931 38.000 -0.673 0.000 1.404 177 I HN -0.087 nan 8.210 nan 0.000 0.528 178 D N 5.932 126.222 120.400 -0.183 0.000 2.399 178 D HA -0.077 4.563 4.640 -0.000 0.000 0.241 178 D C 0.767 177.003 176.300 -0.107 0.000 1.133 178 D CA -0.342 53.612 54.000 -0.077 0.000 0.890 178 D CB 1.359 42.160 40.800 0.003 0.000 1.201 178 D HN 0.715 nan 8.370 nan 0.000 0.432 179 E N 1.115 121.274 120.200 -0.068 0.000 2.114 179 E HA -0.332 4.018 4.350 -0.000 0.000 0.199 179 E C 1.657 178.223 176.600 -0.057 0.000 1.008 179 E CA 1.601 57.967 56.400 -0.057 0.000 0.810 179 E CB 0.054 29.733 29.700 -0.035 0.000 0.739 179 E HN 0.697 nan 8.360 nan 0.000 0.456 180 E N -0.516 119.654 120.200 -0.050 0.000 2.031 180 E HA -0.180 4.170 4.350 -0.000 0.000 0.193 180 E C 1.978 178.528 176.600 -0.084 0.000 0.994 180 E CA 1.910 58.281 56.400 -0.048 0.000 0.800 180 E CB -0.097 29.585 29.700 -0.030 0.000 0.752 180 E HN 0.237 nan 8.360 nan 0.000 0.447 181 T N 1.035 115.508 114.554 -0.135 0.000 2.684 181 T HA -0.188 4.161 4.350 -0.000 0.000 0.267 181 T C 1.819 176.376 174.700 -0.240 0.000 1.036 181 T CA 1.606 63.531 62.100 -0.291 0.000 1.148 181 T CB -0.221 68.438 68.868 -0.349 0.000 0.863 181 T HN 0.157 nan 8.240 nan 0.000 0.436 182 K N 0.734 121.048 120.400 -0.142 0.000 2.152 182 K HA -0.068 4.252 4.320 -0.000 0.000 0.206 182 K C 1.637 178.253 176.600 0.028 0.000 1.048 182 K CA 1.065 57.339 56.287 -0.023 0.000 0.933 182 K CB 0.011 32.480 32.500 -0.052 0.000 0.721 182 K HN 0.241 nan 8.250 nan 0.000 0.447 183 N N 0.802 119.499 118.700 -0.005 0.000 2.236 183 N HA -0.073 4.667 4.740 -0.000 0.000 0.196 183 N C -0.034 175.490 175.510 0.023 0.000 1.114 183 N CA -0.013 53.046 53.050 0.014 0.000 0.859 183 N CB 0.028 38.516 38.487 0.000 0.000 0.982 183 N HN 0.256 nan 8.380 nan 0.000 0.493 184 N N 2.201 120.912 118.700 0.019 0.000 2.454 184 N HA -0.088 4.652 4.740 -0.000 0.000 0.254 184 N C 1.236 176.797 175.510 0.085 0.000 1.228 184 N CA 0.225 53.300 53.050 0.042 0.000 0.900 184 N CB 1.282 39.782 38.487 0.023 0.000 1.089 184 N HN -0.020 nan 8.380 nan 0.000 0.449 185 K N 3.861 124.295 120.400 0.057 0.000 2.077 185 K HA -0.194 4.126 4.320 -0.000 0.000 0.213 185 K C 1.512 178.139 176.600 0.044 0.000 1.051 185 K CA 1.749 58.062 56.287 0.043 0.000 0.929 185 K CB 0.051 32.565 32.500 0.025 0.000 0.715 185 K HN 0.593 nan 8.250 nan 0.000 0.451 186 R N -1.382 119.150 120.500 0.054 0.000 2.275 186 R HA -0.030 4.310 4.340 -0.000 0.000 0.199 186 R C 1.517 177.740 176.300 -0.128 0.000 0.989 186 R CA 0.903 56.980 56.100 -0.039 0.000 1.016 186 R CB 0.020 30.252 30.300 -0.113 0.000 0.918 186 R HN 0.337 nan 8.270 nan 0.000 0.473 187 Y N -0.077 120.150 120.300 -0.120 0.000 2.522 187 Y HA 0.077 4.627 4.550 -0.000 0.000 0.277 187 Y C 1.995 177.859 175.900 -0.059 0.000 1.104 187 Y CA 0.086 58.079 58.100 -0.178 0.000 1.260 187 Y CB -0.244 38.102 38.460 -0.191 0.000 1.151 187 Y HN 0.016 nan 8.280 nan 0.000 0.539 188 N N 0.872 119.653 118.700 0.134 0.000 2.137 188 N HA -0.234 4.506 4.740 -0.000 0.000 0.190 188 N C 1.672 177.234 175.510 0.088 0.000 1.017 188 N CA 2.230 55.343 53.050 0.104 0.000 0.859 188 N CB -0.136 38.392 38.487 0.070 0.000 1.002 188 N HN 0.284 nan 8.380 nan 0.000 0.428 189 M N -0.247 119.392 119.600 0.065 0.000 2.530 189 M HA 0.351 4.831 4.480 -0.000 0.000 0.231 189 M C -0.049 176.293 176.300 0.070 0.000 1.180 189 M CA 0.458 55.797 55.300 0.065 0.000 0.985 189 M CB -0.875 nan 32.600 nan 0.000 1.623 189 M HN 0.063 nan 8.290 nan 0.000 0.475 190 L N 0.433 121.703 121.223 0.079 0.000 2.333 190 L HA 0.865 5.205 4.340 -0.000 0.000 0.269 190 L C 0.171 177.208 176.870 0.280 0.000 1.010 190 L CA -0.893 53.997 54.840 0.083 0.000 0.818 190 L CB 1.732 43.709 42.059 -0.137 0.000 1.306 190 L HN 0.505 nan 8.230 nan 0.000 0.430 191 Q N 0.299 120.249 119.800 0.249 0.000 2.495 191 Q HA 0.416 4.756 4.340 -0.000 0.000 0.287 191 Q C -0.134 175.935 176.000 0.116 0.000 1.078 191 Q CA -0.759 55.141 55.803 0.162 0.000 0.793 191 Q CB 1.424 30.199 28.738 0.062 0.000 1.459 191 Q HN 0.701 nan 8.270 nan 0.000 0.422 192 N N -0.307 118.338 118.700 -0.092 0.000 2.740 192 N HA -0.191 4.549 4.740 -0.000 0.000 0.248 192 N C -0.099 175.436 175.510 0.042 0.000 1.062 192 N CA 1.603 54.610 53.050 -0.072 0.000 0.704 192 N CB -1.521 36.961 38.487 -0.008 0.000 0.968 192 N HN 0.984 nan 8.380 nan 0.000 0.547 193 Y N -2.002 118.351 120.300 0.087 0.000 2.481 193 Y HA 0.262 4.812 4.550 -0.000 0.000 0.247 193 Y C 1.346 177.377 175.900 0.219 0.000 1.151 193 Y CA -0.050 58.148 58.100 0.162 0.000 1.238 193 Y CB -0.351 38.175 38.460 0.110 0.000 1.179 193 Y HN 0.085 nan 8.280 nan 0.000 0.524 194 T N -1.658 112.931 114.554 0.058 0.000 2.788 194 T HA 0.232 4.582 4.350 -0.000 0.000 0.287 194 T C 1.288 176.116 174.700 0.213 0.000 1.007 194 T CA -0.303 61.883 62.100 0.142 0.000 1.005 194 T CB 0.990 69.850 68.868 -0.014 0.000 1.012 194 T HN 0.292 nan 8.240 nan 0.000 0.530 195 I N 0.305 121.007 120.570 0.220 0.000 2.179 195 I HA -0.125 4.045 4.170 -0.000 0.000 0.242 195 I C 2.914 179.032 176.117 0.001 0.000 1.088 195 I CA 1.835 63.337 61.300 0.337 0.000 1.357 195 I CB -0.483 37.718 38.000 0.336 0.000 1.051 195 I HN 0.884 nan 8.210 nan 0.000 0.409 196 E N 1.143 121.094 120.200 -0.415 0.000 2.077 196 E HA -0.256 4.094 4.350 -0.000 0.000 0.193 196 E C 1.642 178.106 176.600 -0.226 0.000 0.989 196 E CA 1.598 57.675 56.400 -0.539 0.000 0.800 196 E CB 0.057 29.311 29.700 -0.743 0.000 0.746 196 E HN 0.428 nan 8.360 nan 0.000 0.452 197 D N 0.150 120.461 120.400 -0.148 0.000 2.144 197 D HA -0.131 4.509 4.640 -0.000 0.000 0.199 197 D C 2.089 178.348 176.300 -0.069 0.000 0.984 197 D CA 0.873 54.813 54.000 -0.100 0.000 0.834 197 D CB -0.097 40.640 40.800 -0.105 0.000 0.955 197 D HN 0.140 nan 8.370 nan 0.000 0.465 198 V N 1.523 121.432 119.914 -0.008 0.000 2.427 198 V HA -0.185 3.935 4.120 -0.000 0.000 0.248 198 V C 2.561 178.500 176.094 -0.258 0.000 1.051 198 V CA 1.576 63.855 62.300 -0.034 0.000 1.048 198 V CB -0.702 31.186 31.823 0.108 0.000 0.666 198 V HN 0.160 nan 8.190 nan 0.000 0.456 199 A N 0.493 123.049 122.820 -0.440 0.000 1.858 199 A HA -0.292 4.028 4.320 -0.000 0.000 0.216 199 A C 2.054 179.405 177.584 -0.389 0.000 1.190 199 A CA 2.390 53.916 52.037 -0.851 0.000 0.617 199 A CB -0.925 17.507 19.000 -0.947 0.000 0.827 199 A HN 0.674 nan 8.150 nan 0.000 0.443 200 N N -0.561 118.006 118.700 -0.222 0.000 2.036 200 N HA -0.194 4.546 4.740 -0.000 0.000 0.195 200 N C 1.693 177.171 175.510 -0.053 0.000 1.037 200 N CA 1.357 54.351 53.050 -0.094 0.000 0.855 200 N CB -0.263 38.180 38.487 -0.073 0.000 1.033 200 N HN 0.367 nan 8.380 nan 0.000 0.423 201 L N 1.639 122.819 121.223 -0.072 0.000 1.989 201 L HA -0.121 4.219 4.340 -0.000 0.000 0.211 201 L C 1.880 178.736 176.870 -0.024 0.000 1.071 201 L CA 1.462 56.276 54.840 -0.042 0.000 0.749 201 L CB -0.672 41.377 42.059 -0.016 0.000 0.890 201 L HN 0.231 nan 8.230 nan 0.000 0.431 202 I N -1.280 119.274 120.570 -0.027 0.000 2.163 202 I HA -0.359 3.811 4.170 -0.000 0.000 0.243 202 I C 2.542 178.726 176.117 0.111 0.000 1.085 202 I CA 1.613 62.963 61.300 0.085 0.000 1.347 202 I CB -0.418 37.559 38.000 -0.038 0.000 1.044 202 I HN 0.453 nan 8.210 nan 0.000 0.408 203 H N 0.980 120.007 119.070 -0.072 0.000 2.321 203 H HA -0.213 4.343 4.556 -0.000 0.000 0.300 203 H C 2.314 177.609 175.328 -0.054 0.000 1.087 203 H CA 2.677 58.690 56.048 -0.059 0.000 1.319 203 H CB -0.394 29.306 29.762 -0.104 0.000 1.379 203 H HN 0.345 nan 8.280 nan 0.000 0.501 204 Q N 1.315 121.026 119.800 -0.149 0.000 2.061 204 Q HA -0.155 4.185 4.340 -0.000 0.000 0.204 204 Q C 2.442 178.292 176.000 -0.250 0.000 0.984 204 Q CA 2.034 57.714 55.803 -0.206 0.000 0.846 204 Q CB -0.588 28.083 28.738 -0.111 0.000 0.902 204 Q HN 0.634 nan 8.270 nan 0.000 0.421 205 K N -1.778 118.455 120.400 -0.277 0.000 2.062 205 K HA -0.007 4.313 4.320 -0.000 0.000 0.205 205 K C 1.092 177.283 176.600 -0.682 0.000 1.051 205 K CA 1.487 57.443 56.287 -0.551 0.000 0.941 205 K CB 0.161 32.186 32.500 -0.791 0.000 0.719 205 K HN 0.697 nan 8.250 nan 0.000 0.440 206 Y N -0.882 119.373 120.300 -0.075 0.000 2.563 206 Y HA 0.242 4.792 4.550 -0.000 0.000 0.250 206 Y C 0.768 176.628 175.900 -0.066 0.000 1.126 206 Y CA -0.150 57.919 58.100 -0.052 0.000 1.231 206 Y CB 1.179 39.630 38.460 -0.014 0.000 1.288 206 Y HN 0.166 nan 8.280 nan 0.000 0.537 207 G N 1.465 110.235 108.800 -0.050 0.000 2.645 207 G HA2 -0.280 3.680 3.960 -0.000 0.000 0.239 207 G HA3 -0.280 3.680 3.960 -0.000 0.000 0.239 207 G C -0.389 174.615 174.900 0.172 0.000 1.331 207 G CA -0.684 44.372 45.100 -0.073 0.000 0.890 207 G HN 0.193 nan 8.290 nan 0.000 0.572 208 K N 0.327 120.855 120.400 0.213 0.000 2.382 208 K HA 0.435 4.755 4.320 -0.000 0.000 0.275 208 K C 0.996 177.670 176.600 0.122 0.000 1.009 208 K CA 0.618 57.017 56.287 0.187 0.000 0.970 208 K CB 0.502 33.081 32.500 0.132 0.000 0.934 208 K HN 0.653 nan 8.250 nan 0.000 0.479 209 I N -0.561 120.075 120.570 0.110 0.000 3.100 209 I HA 0.361 4.531 4.170 -0.000 0.000 0.312 209 I C 0.309 176.471 176.117 0.075 0.000 1.063 209 I CA -0.850 60.507 61.300 0.096 0.000 1.031 209 I CB 1.729 39.806 38.000 0.128 0.000 1.243 209 I HN 0.579 nan 8.210 nan 0.000 0.483 210 N N 2.334 121.068 118.700 0.057 0.000 2.143 210 N HA 0.313 5.053 4.740 -0.000 0.000 0.229 210 N C -0.752 174.773 175.510 0.023 0.000 1.294 210 N CA -0.196 52.876 53.050 0.037 0.000 0.883 210 N CB 0.701 39.202 38.487 0.023 0.000 1.148 210 N HN 0.745 nan 8.380 nan 0.000 0.511 211 M N 1.053 120.674 119.600 0.035 0.000 2.322 211 M HA 0.390 4.869 4.480 -0.000 0.000 0.286 211 M C -2.089 174.224 176.300 0.021 0.000 1.111 211 M CA -0.765 54.541 55.300 0.011 0.000 0.941 211 M CB 3.051 35.648 32.600 -0.005 0.000 1.671 211 M HN -0.007 nan 8.290 nan 0.000 0.470 212 L N 4.060 125.274 121.223 -0.016 0.000 2.409 212 L HA 0.806 5.146 4.340 -0.000 0.000 0.272 212 L C -1.745 175.071 176.870 -0.090 0.000 0.980 212 L CA -0.534 54.273 54.840 -0.055 0.000 0.826 212 L CB 2.188 44.196 42.059 -0.085 0.000 1.268 212 L HN 0.504 nan 8.230 nan 0.000 0.407 213 V N 4.605 124.434 119.914 -0.141 0.000 2.444 213 V HA 0.382 4.502 4.120 -0.000 0.000 0.294 213 V C -0.705 175.296 176.094 -0.155 0.000 1.022 213 V CA -0.620 61.601 62.300 -0.131 0.000 0.850 213 V CB 1.397 33.136 31.823 -0.140 0.000 0.992 213 V HN 0.759 nan 8.190 nan 0.000 0.426 214 H N 3.792 122.763 119.070 -0.165 0.000 2.640 214 H HA 0.418 4.974 4.556 -0.000 0.000 0.297 214 H C -0.297 174.964 175.328 -0.111 0.000 1.073 214 H CA 0.068 56.036 56.048 -0.133 0.000 1.305 214 H CB 1.601 31.305 29.762 -0.095 0.000 1.404 214 H HN 0.613 nan 8.280 nan 0.000 0.459 215 S N 6.867 122.446 115.700 -0.201 0.000 2.474 215 S HA 0.313 4.783 4.470 -0.000 0.000 0.224 215 S C -1.153 173.345 174.600 -0.171 0.000 1.209 215 S CA -0.694 57.440 58.200 -0.111 0.000 1.212 215 S CB -1.010 62.125 63.200 -0.110 0.000 1.137 215 S HN 0.618 nan 8.310 nan 0.000 0.446 216 L N -0.537 120.528 121.223 -0.264 0.000 2.469 216 L HA 1.124 5.464 4.340 -0.000 0.000 0.256 216 L C -0.857 175.918 176.870 -0.159 0.000 1.006 216 L CA -0.904 53.774 54.840 -0.270 0.000 0.832 216 L CB 1.447 43.272 42.059 -0.391 0.000 1.421 216 L HN 0.125 nan 8.230 nan 0.000 0.410 217 A N 1.306 124.027 122.820 -0.165 0.000 2.608 217 A HA 0.860 5.180 4.320 -0.000 0.000 0.292 217 A C -1.609 175.856 177.584 -0.199 0.000 1.066 217 A CA -0.485 51.484 52.037 -0.113 0.000 0.676 217 A CB 1.616 20.596 19.000 -0.032 0.000 1.277 217 A HN 0.948 nan 8.150 nan 0.000 0.413 218 N N -1.308 117.283 118.700 -0.182 0.000 2.636 218 N HA 0.655 5.395 4.740 -0.000 0.000 0.261 218 N C -1.366 174.057 175.510 -0.145 0.000 1.195 218 N CA 0.095 53.029 53.050 -0.194 0.000 0.902 218 N CB 2.124 40.437 38.487 -0.291 0.000 1.627 218 N HN 1.517 nan 8.380 nan 0.000 0.491 219 A N 1.676 124.424 122.820 -0.120 0.000 2.513 219 A HA 0.269 4.589 4.320 -0.000 0.000 0.285 219 A C 0.123 177.667 177.584 -0.067 0.000 1.047 219 A CA -0.557 51.416 52.037 -0.105 0.000 0.864 219 A CB 0.959 19.868 19.000 -0.151 0.000 1.373 219 A HN 0.743 nan 8.150 nan 0.000 0.403 220 K N 0.830 121.209 120.400 -0.036 0.000 2.152 220 K HA -0.140 4.180 4.320 -0.000 0.000 0.206 220 K C 0.473 177.061 176.600 -0.019 0.000 1.048 220 K CA 1.866 58.147 56.287 -0.011 0.000 0.933 220 K CB 0.189 32.691 32.500 0.005 0.000 0.721 220 K HN 0.782 nan 8.250 nan 0.000 0.447 221 E N 0.494 120.675 120.200 -0.031 0.000 2.609 221 E HA 0.013 4.363 4.350 -0.000 0.000 0.208 221 E C 0.761 177.325 176.600 -0.060 0.000 1.013 221 E CA -0.165 56.217 56.400 -0.030 0.000 1.093 221 E CB 0.838 30.533 29.700 -0.008 0.000 1.129 221 E HN -0.024 nan 8.360 nan 0.000 0.450 222 V N 0.864 120.722 119.914 -0.093 0.000 2.660 222 V HA -0.307 3.813 4.120 -0.000 0.000 0.257 222 V C 1.726 177.741 176.094 -0.132 0.000 1.088 222 V CA 2.011 64.219 62.300 -0.152 0.000 1.106 222 V CB -0.103 31.601 31.823 -0.198 0.000 0.686 222 V HN 0.390 nan 8.190 nan 0.000 0.481 223 Q N -0.598 119.153 119.800 -0.083 0.000 2.451 223 Q HA 0.047 4.387 4.340 -0.000 0.000 0.206 223 Q C 0.410 176.381 176.000 -0.047 0.000 0.947 223 Q CA 0.459 56.224 55.803 -0.063 0.000 0.937 223 Q CB 0.218 28.934 28.738 -0.036 0.000 1.025 223 Q HN 0.593 nan 8.270 nan 0.000 0.511 224 K N 0.961 121.336 120.400 -0.043 0.000 2.123 224 K HA 0.197 4.517 4.320 -0.000 0.000 0.259 224 K C -0.816 175.771 176.600 -0.023 0.000 0.960 224 K CA -0.866 55.407 56.287 -0.024 0.000 0.872 224 K CB 1.146 33.638 32.500 -0.013 0.000 1.079 224 K HN -0.126 nan 8.250 nan 0.000 0.440 225 D N 1.735 122.129 120.400 -0.010 0.000 2.449 225 D HA -0.099 4.540 4.640 -0.000 0.000 0.236 225 D C 1.169 177.476 176.300 0.012 0.000 1.149 225 D CA -0.003 53.998 54.000 0.002 0.000 0.878 225 D CB 0.659 41.462 40.800 0.006 0.000 1.198 225 D HN 0.318 nan 8.370 nan 0.000 0.446 226 L N 2.761 124.001 121.223 0.028 0.000 2.021 226 L HA -0.205 4.135 4.340 -0.000 0.000 0.215 226 L C 2.119 179.003 176.870 0.023 0.000 1.074 226 L CA 1.640 56.510 54.840 0.049 0.000 0.760 226 L CB -0.497 41.602 42.059 0.067 0.000 0.889 226 L HN 0.533 nan 8.230 nan 0.000 0.433 227 L N -0.615 120.614 121.223 0.010 0.000 2.127 227 L HA -0.222 4.118 4.340 -0.000 0.000 0.211 227 L C 1.413 178.277 176.870 -0.011 0.000 1.089 227 L CA 1.415 56.251 54.840 -0.006 0.000 0.757 227 L CB -0.376 41.681 42.059 -0.003 0.000 0.899 227 L HN 0.501 nan 8.230 nan 0.000 0.434 228 N N -0.841 117.857 118.700 -0.003 0.000 2.270 228 N HA 0.037 4.777 4.740 -0.000 0.000 0.198 228 N C -0.032 175.478 175.510 -0.000 0.000 1.117 228 N CA 0.113 53.161 53.050 -0.004 0.000 0.845 228 N CB 0.403 38.889 38.487 -0.003 0.000 0.980 228 N HN 0.166 nan 8.380 nan 0.000 0.486 229 T N 1.102 115.661 114.554 0.008 0.000 2.851 229 T HA 0.137 4.487 4.350 -0.000 0.000 0.298 229 T C 0.910 175.618 174.700 0.013 0.000 0.977 229 T CA -0.345 61.771 62.100 0.027 0.000 1.126 229 T CB 1.101 70.016 68.868 0.078 0.000 0.916 229 T HN 0.158 nan 8.240 nan 0.000 0.529 230 S N 3.213 118.925 115.700 0.021 0.000 2.614 230 S HA 0.258 4.728 4.470 -0.000 0.000 0.265 230 S C 1.421 176.038 174.600 0.027 0.000 1.303 230 S CA -0.892 57.314 58.200 0.010 0.000 1.000 230 S CB 0.991 64.198 63.200 0.013 0.000 0.935 230 S HN 0.772 nan 8.310 nan 0.000 0.551 231 R N 1.016 121.520 120.500 0.006 0.000 2.083 231 R HA -0.126 4.214 4.340 -0.000 0.000 0.237 231 R C 2.617 178.963 176.300 0.076 0.000 1.137 231 R CA 2.024 58.137 56.100 0.022 0.000 0.951 231 R CB -1.171 29.126 30.300 -0.005 0.000 0.851 231 R HN 0.836 nan 8.270 nan 0.000 0.434 232 K N -0.009 120.420 120.400 0.048 0.000 2.032 232 K HA -0.078 4.242 4.320 -0.000 0.000 0.209 232 K C 2.181 178.814 176.600 0.056 0.000 1.048 232 K CA 1.769 58.083 56.287 0.045 0.000 0.927 232 K CB -1.765 30.751 32.500 0.026 0.000 0.712 232 K HN 0.583 nan 8.250 nan 0.000 0.441 233 G N -0.936 107.900 108.800 0.060 0.000 2.418 233 G HA2 -0.222 3.738 3.960 -0.000 0.000 0.217 233 G HA3 -0.222 3.738 3.960 -0.000 0.000 0.217 233 G C 1.710 176.656 174.900 0.077 0.000 1.158 233 G CA 1.149 46.280 45.100 0.051 0.000 0.771 233 G HN 0.659 nan 8.290 nan 0.000 0.545 234 Y N 1.030 121.316 120.300 -0.024 0.000 2.145 234 Y HA -0.041 4.509 4.550 -0.000 0.000 0.286 234 Y C 2.623 178.513 175.900 -0.017 0.000 1.145 234 Y CA 1.408 59.495 58.100 -0.022 0.000 1.148 234 Y CB -0.140 38.311 38.460 -0.015 0.000 0.981 234 Y HN 0.092 nan 8.280 nan 0.000 0.507 235 L N -0.088 121.235 121.223 0.166 0.000 2.131 235 L HA -0.207 4.133 4.340 -0.000 0.000 0.210 235 L C 2.091 178.951 176.870 -0.018 0.000 1.092 235 L CA 1.736 56.611 54.840 0.059 0.000 0.759 235 L CB -0.627 41.480 42.059 0.080 0.000 0.903 235 L HN 0.280 nan 8.230 nan 0.000 0.435 236 D N 0.129 120.522 120.400 -0.012 0.000 2.117 236 D HA -0.193 4.447 4.640 -0.000 0.000 0.197 236 D C 2.178 178.434 176.300 -0.072 0.000 0.987 236 D CA 1.375 55.354 54.000 -0.036 0.000 0.829 236 D CB 0.172 40.960 40.800 -0.021 0.000 0.961 236 D HN 0.255 nan 8.370 nan 0.000 0.460 237 A N 0.243 122.999 122.820 -0.106 0.000 1.877 237 A HA -0.092 4.228 4.320 -0.000 0.000 0.216 237 A C 2.218 179.713 177.584 -0.147 0.000 1.186 237 A CA 0.874 52.822 52.037 -0.147 0.000 0.620 237 A CB -0.702 18.178 19.000 -0.200 0.000 0.822 237 A HN 0.337 nan 8.150 nan 0.000 0.443 238 L N -0.346 120.766 121.223 -0.186 0.000 2.093 238 L HA -0.108 4.232 4.340 -0.000 0.000 0.208 238 L C 2.823 179.680 176.870 -0.021 0.000 1.085 238 L CA 2.099 56.860 54.840 -0.132 0.000 0.755 238 L CB -1.332 40.627 42.059 -0.167 0.000 0.904 238 L HN 0.524 nan 8.230 nan 0.000 0.435 239 S N -0.215 115.473 115.700 -0.019 0.000 2.356 239 S HA -0.191 4.279 4.470 -0.000 0.000 0.223 239 S C 1.949 176.578 174.600 0.049 0.000 1.032 239 S CA 1.430 59.648 58.200 0.030 0.000 1.005 239 S CB 0.134 63.321 63.200 -0.021 0.000 0.867 239 S HN 0.398 nan 8.310 nan 0.000 0.449 240 K N 0.131 120.516 120.400 -0.025 0.000 2.186 240 K HA 0.164 4.484 4.320 -0.000 0.000 0.202 240 K C 2.251 178.837 176.600 -0.024 0.000 1.052 240 K CA 1.173 57.421 56.287 -0.065 0.000 0.965 240 K CB -0.064 32.348 32.500 -0.146 0.000 0.746 240 K HN 0.259 nan 8.250 nan 0.000 0.457 241 S N 0.144 115.836 115.700 -0.013 0.000 2.456 241 S HA 0.052 4.522 4.470 -0.000 0.000 0.224 241 S C 1.749 176.382 174.600 0.055 0.000 1.035 241 S CA 0.528 58.749 58.200 0.034 0.000 0.940 241 S CB 0.368 63.557 63.200 -0.018 0.000 0.799 241 S HN 0.124 nan 8.310 nan 0.000 0.508 242 S N 0.096 115.809 115.700 0.022 0.000 2.811 242 S HA 0.193 4.663 4.470 -0.000 0.000 0.237 242 S C 1.484 176.083 174.600 -0.001 0.000 1.038 242 S CA -0.160 58.031 58.200 -0.014 0.000 0.881 242 S CB -0.696 62.498 63.200 -0.010 0.000 0.815 242 S HN 0.462 nan 8.310 nan 0.000 0.582 243 Y N 3.935 124.230 120.300 -0.008 0.000 2.207 243 Y HA -0.222 4.328 4.550 -0.000 0.000 0.287 243 Y C 2.620 178.555 175.900 0.059 0.000 1.156 243 Y CA 1.492 59.603 58.100 0.018 0.000 1.182 243 Y CB -0.622 37.850 38.460 0.019 0.000 0.979 243 Y HN 0.389 nan 8.280 nan 0.000 0.521 244 S N 0.087 115.829 115.700 0.070 0.000 2.387 244 S HA -0.271 4.199 4.470 -0.000 0.000 0.230 244 S C 2.106 176.754 174.600 0.080 0.000 1.035 244 S CA 1.544 59.811 58.200 0.112 0.000 1.014 244 S CB -1.131 62.189 63.200 0.201 0.000 0.836 244 S HN 0.601 nan 8.310 nan 0.000 0.466 245 L N 0.926 122.118 121.223 -0.052 0.000 2.017 245 L HA -0.029 4.311 4.340 -0.000 0.000 0.208 245 L C 2.501 179.269 176.870 -0.171 0.000 1.073 245 L CA 1.757 56.483 54.840 -0.191 0.000 0.745 245 L CB -0.485 41.303 42.059 -0.452 0.000 0.894 245 L HN 0.378 nan 8.230 nan 0.000 0.432 246 I N -1.002 119.389 120.570 -0.298 0.000 2.226 246 I HA -0.325 3.845 4.170 -0.000 0.000 0.245 246 I C 2.784 178.727 176.117 -0.289 0.000 1.100 246 I CA 1.470 62.576 61.300 -0.324 0.000 1.374 246 I CB -0.353 37.376 38.000 -0.452 0.000 1.057 246 I HN 0.241 nan 8.210 nan 0.000 0.413 247 S N 0.813 116.276 115.700 -0.395 0.000 2.368 247 S HA -0.107 4.363 4.470 -0.000 0.000 0.224 247 S C 2.103 176.838 174.600 0.225 0.000 1.029 247 S CA 1.030 59.213 58.200 -0.028 0.000 0.988 247 S CB -0.250 63.014 63.200 0.107 0.000 0.838 247 S HN 0.314 nan 8.310 nan 0.000 0.462 248 L N 0.767 122.104 121.223 0.190 0.000 2.043 248 L HA -0.205 4.134 4.340 -0.000 0.000 0.212 248 L C 2.680 179.681 176.870 0.218 0.000 1.075 248 L CA 1.606 56.597 54.840 0.252 0.000 0.752 248 L CB -0.722 41.405 42.059 0.113 0.000 0.891 248 L HN 0.500 nan 8.230 nan 0.000 0.432 249 C N -0.613 118.726 119.300 0.066 0.000 2.436 249 C HA -0.194 4.266 4.460 -0.000 0.000 0.277 249 C C 2.851 177.828 174.990 -0.021 0.000 1.241 249 C CA 0.825 59.848 59.018 0.008 0.000 1.721 249 C CB -0.740 26.970 27.740 -0.050 0.000 2.043 249 C HN 0.455 nan 8.230 nan 0.000 0.472 250 K N -0.426 119.936 120.400 -0.064 0.000 2.074 250 K HA -0.194 4.126 4.320 -0.000 0.000 0.209 250 K C 1.695 178.130 176.600 -0.274 0.000 1.048 250 K CA 1.966 58.129 56.287 -0.206 0.000 0.926 250 K CB -0.291 32.035 32.500 -0.290 0.000 0.713 250 K HN 0.662 nan 8.250 nan 0.000 0.444 251 Y N -1.387 118.951 120.300 0.063 0.000 2.448 251 Y HA 0.017 4.567 4.550 -0.000 0.000 0.289 251 Y C 1.785 177.650 175.900 -0.058 0.000 1.114 251 Y CA 0.477 58.589 58.100 0.020 0.000 1.235 251 Y CB 0.086 38.583 38.460 0.062 0.000 1.045 251 Y HN -0.025 nan 8.280 nan 0.000 0.554 252 F N -1.043 118.925 119.950 0.029 0.000 2.512 252 F HA -0.092 4.435 4.527 -0.000 0.000 0.296 252 F C 2.217 177.945 175.800 -0.120 0.000 1.110 252 F CA 0.509 58.485 58.000 -0.039 0.000 1.446 252 F CB -0.176 38.812 39.000 -0.020 0.000 1.092 252 F HN -0.095 nan 8.300 nan 0.000 0.554 253 V N -2.039 117.840 119.914 -0.058 0.000 2.720 253 V HA -0.220 3.900 4.120 -0.000 0.000 0.256 253 V C 1.788 177.727 176.094 -0.257 0.000 1.082 253 V CA 1.828 63.962 62.300 -0.276 0.000 1.101 253 V CB -0.770 30.639 31.823 -0.691 0.000 0.693 253 V HN 0.315 nan 8.190 nan 0.000 0.479 254 N N 1.604 120.187 118.700 -0.195 0.000 2.396 254 N HA 0.070 4.810 4.740 -0.000 0.000 0.180 254 N C 1.555 176.935 175.510 -0.216 0.000 1.028 254 N CA 1.933 54.881 53.050 -0.170 0.000 0.893 254 N CB -0.011 38.380 38.487 -0.159 0.000 0.967 254 N HN 0.867 nan 8.380 nan 0.000 0.440 255 I N -2.993 117.446 120.570 -0.219 0.000 3.914 255 I HA 0.335 4.505 4.170 -0.000 0.000 0.333 255 I C -0.051 176.038 176.117 -0.047 0.000 1.449 255 I CA -0.137 61.032 61.300 -0.219 0.000 1.135 255 I CB 0.048 37.885 38.000 -0.272 0.000 1.073 255 I HN -0.226 nan 8.210 nan 0.000 0.401 256 M N 0.999 120.581 119.600 -0.031 0.000 2.598 256 M HA 0.505 4.985 4.480 -0.000 0.000 0.317 256 M C -0.405 175.907 176.300 0.021 0.000 1.179 256 M CA -0.614 54.698 55.300 0.020 0.000 0.936 256 M CB 2.270 34.887 32.600 0.029 0.000 1.713 256 M HN -0.045 nan 8.290 nan 0.000 0.460 257 K N 1.660 122.082 120.400 0.037 0.000 2.154 257 K HA 0.389 4.709 4.320 -0.000 0.000 0.264 257 K C -2.428 174.198 176.600 0.043 0.000 1.008 257 K CA -1.421 54.890 56.287 0.040 0.000 0.937 257 K CB 0.155 32.678 32.500 0.037 0.000 1.002 257 K HN 0.233 nan 8.250 nan 0.000 0.469 258 P HA -0.096 nan 4.420 nan 0.000 0.267 258 P C -0.773 176.546 177.300 0.033 0.000 1.201 258 P CA 0.384 63.517 63.100 0.054 0.000 0.775 258 P CB 0.425 32.151 31.700 0.045 0.000 0.854 259 Q N -2.102 117.714 119.800 0.027 0.000 2.424 259 Q HA -0.166 4.174 4.340 -0.000 0.000 0.234 259 Q C -0.095 175.905 176.000 0.000 0.000 0.748 259 Q CA 0.640 56.448 55.803 0.008 0.000 1.286 259 Q CB -2.047 26.692 28.738 0.002 0.000 1.494 259 Q HN 0.440 nan 8.270 nan 0.000 0.683 260 S N -0.332 115.373 115.700 0.009 0.000 2.589 260 S HA 0.423 4.893 4.470 -0.000 0.000 0.265 260 S C 0.043 174.634 174.600 -0.015 0.000 1.342 260 S CA -0.179 58.022 58.200 0.000 0.000 1.005 260 S CB 1.664 64.871 63.200 0.012 0.000 0.909 260 S HN 0.290 nan 8.310 nan 0.000 0.555 261 S N 0.385 116.070 115.700 -0.025 0.000 2.536 261 S HA 0.703 5.173 4.470 -0.000 0.000 0.287 261 S C -1.226 173.350 174.600 -0.040 0.000 1.101 261 S CA -0.740 57.435 58.200 -0.042 0.000 0.950 261 S CB 0.330 63.490 63.200 -0.067 0.000 1.056 261 S HN 0.538 nan 8.310 nan 0.000 0.481 262 I N 5.270 125.812 120.570 -0.046 0.000 2.498 262 I HA 0.546 4.716 4.170 -0.000 0.000 0.290 262 I C -0.551 175.533 176.117 -0.056 0.000 1.032 262 I CA -0.883 60.387 61.300 -0.050 0.000 1.073 262 I CB 1.827 39.798 38.000 -0.048 0.000 1.251 262 I HN 0.656 nan 8.210 nan 0.000 0.426 263 I N 2.705 123.241 120.570 -0.056 0.000 2.785 263 I HA 0.831 5.001 4.170 -0.000 0.000 0.302 263 I C -0.194 175.897 176.117 -0.044 0.000 1.069 263 I CA -0.294 60.973 61.300 -0.056 0.000 1.045 263 I CB 2.285 40.251 38.000 -0.057 0.000 1.236 263 I HN 0.614 nan 8.210 nan 0.000 0.429 264 S N 5.010 120.678 115.700 -0.054 0.000 2.745 264 S HA 0.801 5.271 4.470 -0.000 0.000 0.306 264 S C -0.896 173.681 174.600 -0.037 0.000 1.137 264 S CA -0.943 57.243 58.200 -0.023 0.000 0.900 264 S CB 1.782 64.910 63.200 -0.120 0.000 1.176 264 S HN 0.703 nan 8.310 nan 0.000 0.520 265 L N 0.822 122.048 121.223 0.005 0.000 2.365 265 L HA 0.739 5.079 4.340 -0.000 0.000 0.273 265 L C 0.070 176.943 176.870 0.006 0.000 1.000 265 L CA -0.383 54.438 54.840 -0.032 0.000 0.819 265 L CB 2.145 44.183 42.059 -0.034 0.000 1.284 265 L HN 0.904 nan 8.230 nan 0.000 0.418 266 T N 0.483 115.024 114.554 -0.021 0.000 2.742 266 T HA 0.624 4.974 4.350 -0.000 0.000 0.282 266 T C -1.927 172.838 174.700 0.108 0.000 1.025 266 T CA -0.311 61.808 62.100 0.033 0.000 1.020 266 T CB 1.613 70.463 68.868 -0.030 0.000 1.317 266 T HN 0.396 nan 8.240 nan 0.000 0.538 267 Y N -0.006 120.271 120.300 -0.037 0.000 2.534 267 Y HA 0.449 4.999 4.550 -0.000 0.000 0.345 267 Y C 0.636 176.528 175.900 -0.013 0.000 1.031 267 Y CA -0.965 57.100 58.100 -0.059 0.000 1.022 267 Y CB 1.556 39.928 38.460 -0.146 0.000 1.292 267 Y HN 0.892 nan 8.280 nan 0.000 0.459 268 H N 3.530 122.148 119.070 -0.753 0.000 2.518 268 H HA 0.016 4.572 4.556 -0.000 0.000 0.289 268 H C 1.723 176.780 175.328 -0.452 0.000 1.051 268 H CA 1.598 57.384 56.048 -0.438 0.000 1.280 268 H CB 0.020 29.595 29.762 -0.312 0.000 1.380 268 H HN 0.733 nan 8.280 nan 0.000 0.566 269 A N -0.204 122.189 122.820 -0.712 0.000 2.139 269 A HA -0.203 4.117 4.320 -0.000 0.000 0.221 269 A C 2.561 180.064 177.584 -0.135 0.000 1.159 269 A CA 1.627 53.458 52.037 -0.344 0.000 0.662 269 A CB -0.813 18.023 19.000 -0.275 0.000 0.796 269 A HN 0.642 nan 8.150 nan 0.000 0.463 270 S N -1.190 114.449 115.700 -0.103 0.000 2.402 270 S HA -0.156 4.314 4.470 -0.000 0.000 0.229 270 S C 1.739 176.298 174.600 -0.069 0.000 1.021 270 S CA 1.289 59.476 58.200 -0.022 0.000 0.974 270 S CB -0.178 63.029 63.200 0.013 0.000 0.800 270 S HN 0.589 nan 8.310 nan 0.000 0.484 271 Q N 0.396 120.092 119.800 -0.174 0.000 2.394 271 Q HA 0.390 4.730 4.340 -0.000 0.000 0.218 271 Q C -0.034 175.804 176.000 -0.271 0.000 0.907 271 Q CA 0.750 56.440 55.803 -0.187 0.000 0.919 271 Q CB 0.232 28.891 28.738 -0.131 0.000 1.051 271 Q HN 0.411 nan 8.270 nan 0.000 0.538 272 K N 0.519 120.661 120.400 -0.430 0.000 2.426 272 K HA 0.437 4.757 4.320 -0.000 0.000 0.251 272 K C -0.724 175.766 176.600 -0.183 0.000 0.941 272 K CA -0.882 55.221 56.287 -0.308 0.000 0.808 272 K CB 2.781 35.055 32.500 -0.376 0.000 1.265 272 K HN -0.221 nan 8.250 nan 0.000 0.432 273 V N 2.006 121.875 119.914 -0.075 0.000 2.508 273 V HA 0.149 4.269 4.120 -0.000 0.000 0.281 273 V C -0.018 176.090 176.094 0.023 0.000 1.041 273 V CA -0.520 61.774 62.300 -0.010 0.000 1.016 273 V CB 1.043 32.875 31.823 0.015 0.000 0.984 273 V HN 0.356 nan 8.190 nan 0.000 0.478 274 V N 7.921 127.881 119.914 0.077 0.000 2.325 274 V HA 0.326 4.446 4.120 -0.000 0.000 0.280 274 V C -2.275 173.948 176.094 0.215 0.000 1.016 274 V CA -1.653 60.750 62.300 0.171 0.000 0.818 274 V CB 1.594 33.569 31.823 0.254 0.000 1.019 274 V HN 0.769 nan 8.190 nan 0.000 0.434 275 P HA 0.395 nan 4.420 nan 0.000 0.271 275 P C 1.026 178.436 177.300 0.184 0.000 1.216 275 P CA 1.075 64.258 63.100 0.138 0.000 0.771 275 P CB 1.075 32.829 31.700 0.090 0.000 0.864 276 G N 1.966 110.812 108.800 0.076 0.000 2.308 276 G HA2 -0.291 3.669 3.960 -0.000 0.000 0.221 276 G HA3 -0.291 3.669 3.960 -0.000 0.000 0.221 276 G C -0.026 174.719 174.900 -0.259 0.000 1.032 276 G CA -0.439 44.622 45.100 -0.065 0.000 0.623 276 G HN 0.515 nan 8.290 nan 0.000 0.506 277 Y N 3.666 123.810 120.300 -0.260 0.000 2.570 277 Y HA 0.525 5.075 4.550 -0.000 0.000 0.336 277 Y C 1.168 177.006 175.900 -0.102 0.000 1.284 277 Y CA 0.156 58.120 58.100 -0.228 0.000 1.761 277 Y CB -0.213 38.250 38.460 0.005 0.000 1.724 277 Y HN 0.411 nan 8.280 nan 0.000 0.455 278 G N 0.595 109.276 108.800 -0.199 0.000 2.583 278 G HA2 0.444 4.404 3.960 -0.000 0.000 0.280 278 G HA3 0.444 4.404 3.960 -0.000 0.000 0.280 278 G C 0.736 175.538 174.900 -0.163 0.000 1.376 278 G CA -0.484 44.543 45.100 -0.123 0.000 1.043 278 G HN 0.977 nan 8.290 nan 0.000 0.538 279 G N -2.254 106.501 108.800 -0.075 0.000 2.155 279 G HA2 0.218 4.178 3.960 -0.000 0.000 0.257 279 G HA3 0.218 4.178 3.960 -0.000 0.000 0.257 279 G C 1.480 176.358 174.900 -0.037 0.000 0.983 279 G CA 1.183 46.249 45.100 -0.056 0.000 0.676 279 G HN 2.542 nan 8.290 nan 0.000 0.528 280 G N -1.559 107.238 108.800 -0.006 0.000 2.157 280 G HA2 -0.244 3.716 3.960 -0.000 0.000 0.248 280 G HA3 -0.244 3.716 3.960 -0.000 0.000 0.248 280 G C 1.251 176.053 174.900 -0.164 0.000 0.979 280 G CA 1.080 46.155 45.100 -0.042 0.000 0.650 280 G HN 0.664 nan 8.290 nan 0.000 0.529 281 M N 1.612 121.081 119.600 -0.219 0.000 2.149 281 M HA -0.091 4.389 4.480 -0.000 0.000 0.261 281 M C 2.873 179.167 176.300 -0.010 0.000 1.064 281 M CA 2.393 57.511 55.300 -0.305 0.000 1.102 281 M CB -1.383 30.715 32.600 -0.836 0.000 1.369 281 M HN 0.765 nan 8.290 nan 0.000 0.408 282 S N -0.346 115.438 115.700 0.139 0.000 2.382 282 S HA -0.103 4.367 4.470 -0.000 0.000 0.228 282 S C 2.004 176.690 174.600 0.143 0.000 1.027 282 S CA 1.660 60.047 58.200 0.313 0.000 0.991 282 S CB -0.685 62.681 63.200 0.277 0.000 0.823 282 S HN 0.457 nan 8.310 nan 0.000 0.469 283 S N 2.803 118.539 115.700 0.060 0.000 2.368 283 S HA 0.177 4.647 4.470 -0.000 0.000 0.224 283 S C 2.355 176.928 174.600 -0.045 0.000 1.029 283 S CA 0.857 59.066 58.200 0.016 0.000 0.988 283 S CB -0.892 62.294 63.200 -0.023 0.000 0.838 283 S HN 0.771 nan 8.310 nan 0.000 0.462 284 A N 2.280 125.043 122.820 -0.096 0.000 1.902 284 A HA -0.116 4.204 4.320 -0.000 0.000 0.217 284 A C 2.089 179.674 177.584 0.001 0.000 1.181 284 A CA 1.294 53.285 52.037 -0.078 0.000 0.623 284 A CB -0.358 18.580 19.000 -0.103 0.000 0.818 284 A HN 0.203 nan 8.150 nan 0.000 0.443 285 K N 0.062 120.505 120.400 0.071 0.000 2.097 285 K HA 0.011 4.331 4.320 -0.000 0.000 0.205 285 K C 2.215 178.842 176.600 0.045 0.000 1.050 285 K CA 1.331 57.672 56.287 0.090 0.000 0.938 285 K CB -1.001 31.614 32.500 0.192 0.000 0.718 285 K HN 0.449 nan 8.250 nan 0.000 0.442 286 A N 1.377 124.224 122.820 0.045 0.000 1.908 286 A HA -0.114 4.206 4.320 -0.000 0.000 0.218 286 A C 2.404 179.997 177.584 0.016 0.000 1.181 286 A CA 2.190 54.243 52.037 0.028 0.000 0.627 286 A CB -0.618 18.402 19.000 0.035 0.000 0.818 286 A HN 0.294 nan 8.150 nan 0.000 0.445 287 A N -0.536 122.289 122.820 0.009 0.000 1.873 287 A HA -0.003 4.317 4.320 -0.000 0.000 0.215 287 A C 2.153 179.731 177.584 -0.010 0.000 1.186 287 A CA 1.627 53.666 52.037 0.005 0.000 0.616 287 A CB -0.654 18.345 19.000 -0.001 0.000 0.823 287 A HN 0.708 nan 8.150 nan 0.000 0.442 288 L N 0.082 121.289 121.223 -0.025 0.000 2.042 288 L HA -0.188 4.152 4.340 -0.000 0.000 0.210 288 L C 2.219 179.058 176.870 -0.051 0.000 1.076 288 L CA 2.499 57.304 54.840 -0.059 0.000 0.749 288 L CB -0.491 41.526 42.059 -0.071 0.000 0.893 288 L HN 0.525 nan 8.230 nan 0.000 0.432 289 E N -1.304 118.879 120.200 -0.029 0.000 2.106 289 E HA -0.206 4.144 4.350 -0.000 0.000 0.192 289 E C 2.255 178.846 176.600 -0.014 0.000 0.984 289 E CA 1.257 57.642 56.400 -0.025 0.000 0.806 289 E CB -0.175 29.518 29.700 -0.013 0.000 0.750 289 E HN 0.541 nan 8.360 nan 0.000 0.458 290 S N 0.644 116.341 115.700 -0.005 0.000 2.387 290 S HA -0.142 4.328 4.470 -0.000 0.000 0.226 290 S C 1.418 176.019 174.600 0.002 0.000 1.026 290 S CA 1.196 59.397 58.200 0.001 0.000 0.972 290 S CB -0.119 63.086 63.200 0.009 0.000 0.814 290 S HN 0.138 nan 8.310 nan 0.000 0.477 291 D N 0.870 121.268 120.400 -0.003 0.000 2.219 291 D HA -0.028 4.611 4.640 -0.000 0.000 0.205 291 D C 1.944 178.240 176.300 -0.008 0.000 0.970 291 D CA 1.181 55.181 54.000 0.001 0.000 0.851 291 D CB -0.804 39.986 40.800 -0.016 0.000 0.943 291 D HN 0.400 nan 8.370 nan 0.000 0.488 292 T N 0.914 115.452 114.554 -0.027 0.000 2.746 292 T HA -0.116 4.233 4.350 -0.000 0.000 0.267 292 T C 1.991 176.687 174.700 -0.006 0.000 1.039 292 T CA 0.924 63.006 62.100 -0.030 0.000 1.142 292 T CB 0.044 68.885 68.868 -0.045 0.000 0.866 292 T HN 0.188 nan 8.240 nan 0.000 0.444 293 R N 0.413 120.911 120.500 -0.002 0.000 2.070 293 R HA -0.043 4.297 4.340 -0.000 0.000 0.233 293 R C 2.562 178.872 176.300 0.018 0.000 1.137 293 R CA 1.190 57.293 56.100 0.004 0.000 0.945 293 R CB -0.922 29.374 30.300 -0.006 0.000 0.845 293 R HN 0.234 nan 8.270 nan 0.000 0.430 294 V N 1.875 121.800 119.914 0.019 0.000 2.332 294 V HA -0.238 3.882 4.120 -0.000 0.000 0.248 294 V C 2.373 178.513 176.094 0.077 0.000 1.055 294 V CA 1.737 64.057 62.300 0.032 0.000 1.038 294 V CB -0.520 31.346 31.823 0.071 0.000 0.651 294 V HN 0.280 nan 8.190 nan 0.000 0.450 295 L N 0.131 121.412 121.223 0.097 0.000 2.131 295 L HA -0.146 4.194 4.340 -0.000 0.000 0.210 295 L C 2.725 179.641 176.870 0.077 0.000 1.092 295 L CA 1.408 56.316 54.840 0.113 0.000 0.759 295 L CB -0.817 41.273 42.059 0.050 0.000 0.903 295 L HN 0.361 nan 8.230 nan 0.000 0.435 296 A N -0.505 122.345 122.820 0.051 0.000 1.933 296 A HA -0.283 4.037 4.320 -0.000 0.000 0.218 296 A C 2.185 179.803 177.584 0.057 0.000 1.175 296 A CA 1.702 53.765 52.037 0.042 0.000 0.628 296 A CB -0.781 18.239 19.000 0.033 0.000 0.814 296 A HN 0.499 nan 8.150 nan 0.000 0.444 297 Y N 0.379 120.626 120.300 -0.089 0.000 2.109 297 Y HA -0.223 4.327 4.550 -0.000 0.000 0.285 297 Y C 2.549 178.383 175.900 -0.110 0.000 1.131 297 Y CA 2.092 60.107 58.100 -0.142 0.000 1.121 297 Y CB -0.636 37.670 38.460 -0.257 0.000 0.987 297 Y HN 0.473 nan 8.280 nan 0.000 0.495 298 H N 0.325 119.279 119.070 -0.194 0.000 2.290 298 H HA -0.158 4.398 4.556 -0.000 0.000 0.298 298 H C 2.434 177.718 175.328 -0.073 0.000 1.087 298 H CA 2.119 58.029 56.048 -0.229 0.000 1.291 298 H CB -0.765 28.986 29.762 -0.018 0.000 1.369 298 H HN 0.388 nan 8.280 nan 0.000 0.492 299 L N -0.085 121.224 121.223 0.143 0.000 2.141 299 L HA -0.049 4.291 4.340 -0.000 0.000 0.209 299 L C 2.804 179.755 176.870 0.135 0.000 1.094 299 L CA 0.937 55.901 54.840 0.207 0.000 0.763 299 L CB -0.634 41.485 42.059 0.099 0.000 0.908 299 L HN 0.285 nan 8.230 nan 0.000 0.437 300 G N -0.304 108.510 108.800 0.024 0.000 2.394 300 G HA2 -0.167 3.793 3.960 -0.000 0.000 0.214 300 G HA3 -0.167 3.793 3.960 -0.000 0.000 0.214 300 G C 1.769 176.639 174.900 -0.049 0.000 1.176 300 G CA 0.113 45.211 45.100 -0.004 0.000 0.786 300 G HN 0.118 nan 8.290 nan 0.000 0.533 301 R N 0.712 121.127 120.500 -0.142 0.000 2.073 301 R HA 0.023 4.363 4.340 -0.000 0.000 0.229 301 R C 2.128 178.316 176.300 -0.186 0.000 1.120 301 R CA 1.054 57.045 56.100 -0.181 0.000 0.967 301 R CB -0.709 29.401 30.300 -0.317 0.000 0.862 301 R HN 0.315 nan 8.270 nan 0.000 0.436 302 N N -0.407 118.155 118.700 -0.230 0.000 2.395 302 N HA -0.049 4.691 4.740 -0.000 0.000 0.175 302 N C 0.915 176.015 175.510 -0.683 0.000 1.029 302 N CA 0.956 53.723 53.050 -0.472 0.000 0.897 302 N CB 0.072 38.185 38.487 -0.622 0.000 0.991 302 N HN 0.329 nan 8.380 nan 0.000 0.441 303 Y N -0.563 119.708 120.300 -0.050 0.000 2.499 303 Y HA 0.278 4.827 4.550 -0.000 0.000 0.253 303 Y C 0.335 176.217 175.900 -0.030 0.000 1.105 303 Y CA -0.590 57.488 58.100 -0.035 0.000 1.240 303 Y CB 0.120 38.563 38.460 -0.028 0.000 1.289 303 Y HN -0.034 nan 8.280 nan 0.000 0.534 304 N N 1.340 120.088 118.700 0.080 0.000 2.735 304 N HA -0.212 4.528 4.740 -0.000 0.000 0.248 304 N C -0.858 174.689 175.510 0.060 0.000 1.083 304 N CA 0.051 53.129 53.050 0.046 0.000 0.703 304 N CB -0.853 37.649 38.487 0.024 0.000 1.005 304 N HN 0.293 nan 8.380 nan 0.000 0.550 305 I N 1.212 121.833 120.570 0.085 0.000 2.441 305 I HA 0.361 4.531 4.170 -0.000 0.000 0.295 305 I C 0.573 176.703 176.117 0.022 0.000 0.994 305 I CA -0.683 60.645 61.300 0.047 0.000 1.144 305 I CB 1.604 39.628 38.000 0.041 0.000 1.314 305 I HN 0.053 nan 8.210 nan 0.000 0.445 306 R N 5.750 126.248 120.500 -0.003 0.000 2.536 306 R HA 0.746 5.085 4.340 -0.000 0.000 0.279 306 R C -0.861 175.424 176.300 -0.025 0.000 1.001 306 R CA -0.803 55.287 56.100 -0.016 0.000 1.027 306 R CB 2.317 32.596 30.300 -0.036 0.000 1.096 306 R HN 0.542 nan 8.270 nan 0.000 0.502 307 I N 1.223 121.778 120.570 -0.024 0.000 2.644 307 I HA 0.364 4.534 4.170 -0.000 0.000 0.291 307 I C -1.533 174.562 176.117 -0.035 0.000 1.180 307 I CA -0.564 60.716 61.300 -0.034 0.000 1.040 307 I CB 1.838 39.820 38.000 -0.031 0.000 1.255 307 I HN 0.667 nan 8.210 nan 0.000 0.422 308 N N 3.444 122.116 118.700 -0.046 0.000 2.697 308 N HA 0.465 5.205 4.740 -0.000 0.000 0.272 308 N C -1.519 173.955 175.510 -0.059 0.000 1.381 308 N CA -0.536 52.487 53.050 -0.045 0.000 0.797 308 N CB 2.416 40.880 38.487 -0.038 0.000 1.523 308 N HN 0.490 nan 8.380 nan 0.000 0.518 309 T N 0.285 114.799 114.554 -0.066 0.000 2.893 309 T HA 0.602 4.952 4.350 -0.000 0.000 0.293 309 T C -1.017 173.617 174.700 -0.110 0.000 1.027 309 T CA -0.511 61.537 62.100 -0.087 0.000 0.988 309 T CB 0.658 69.471 68.868 -0.093 0.000 1.043 309 T HN 0.283 nan 8.240 nan 0.000 0.461 310 I N 3.489 123.984 120.570 -0.124 0.000 2.321 310 I HA 0.313 4.483 4.170 -0.000 0.000 0.291 310 I C 0.497 176.484 176.117 -0.217 0.000 0.998 310 I CA -0.520 60.684 61.300 -0.161 0.000 1.227 310 I CB 1.738 39.648 38.000 -0.149 0.000 1.368 310 I HN 0.491 nan 8.210 nan 0.000 0.466 311 S N 6.057 121.552 115.700 -0.343 0.000 2.411 311 S HA 0.560 5.030 4.470 -0.000 0.000 0.304 311 S C 0.098 174.562 174.600 -0.227 0.000 1.098 311 S CA -0.635 57.328 58.200 -0.395 0.000 1.068 311 S CB 0.013 62.625 63.200 -0.980 0.000 1.032 311 S HN 0.645 nan 8.310 nan 0.000 0.511 312 A N 4.132 126.887 122.820 -0.109 0.000 2.302 312 A HA 0.767 5.086 4.320 -0.000 0.000 0.285 312 A C 0.888 178.561 177.584 0.148 0.000 1.105 312 A CA -0.274 51.706 52.037 -0.096 0.000 0.816 312 A CB 0.323 19.060 19.000 -0.439 0.000 1.067 312 A HN 0.865 nan 8.150 nan 0.000 0.489 313 G N 0.317 109.222 108.800 0.176 0.000 2.588 313 G HA2 0.516 4.476 3.960 -0.000 0.000 0.278 313 G HA3 0.516 4.476 3.960 -0.000 0.000 0.278 313 G C -2.434 172.632 174.900 0.277 0.000 1.307 313 G CA -1.111 44.139 45.100 0.250 0.000 1.016 313 G HN 0.618 nan 8.290 nan 0.000 0.503 314 P HA 0.308 nan 4.420 nan 0.000 0.276 314 P C -1.036 176.313 177.300 0.082 0.000 1.230 314 P CA -0.183 62.981 63.100 0.108 0.000 0.776 314 P CB 1.615 33.337 31.700 0.037 0.000 0.888 315 L N 2.421 123.651 121.223 0.012 0.000 2.436 315 L HA 0.408 4.748 4.340 -0.000 0.000 0.268 315 L C 0.097 176.898 176.870 -0.115 0.000 0.974 315 L CA -0.631 54.133 54.840 -0.126 0.000 0.826 315 L CB 2.124 43.893 42.059 -0.483 0.000 1.291 315 L HN 0.181 nan 8.230 nan 0.000 0.406 316 K N 3.341 123.686 120.400 -0.091 0.000 2.243 316 K HA 0.227 4.547 4.320 -0.000 0.000 0.232 316 K C -0.183 176.370 176.600 -0.077 0.000 1.237 316 K CA 0.001 56.254 56.287 -0.057 0.000 1.161 316 K CB -0.128 32.350 32.500 -0.037 0.000 1.505 316 K HN 0.791 nan 8.250 nan 0.000 0.271 317 S N 0.459 116.107 115.700 -0.086 0.000 2.707 317 S HA 0.344 4.814 4.470 -0.000 0.000 0.276 317 S C 1.571 176.150 174.600 -0.036 0.000 1.179 317 S CA -0.463 57.684 58.200 -0.088 0.000 0.992 317 S CB 1.613 64.746 63.200 -0.113 0.000 1.030 317 S HN 0.563 nan 8.310 nan 0.000 0.554 318 R N 0.404 120.888 120.500 -0.027 0.000 2.083 318 R HA 0.077 4.417 4.340 -0.000 0.000 0.237 318 R C 2.711 179.021 176.300 0.016 0.000 1.137 318 R CA 2.349 58.451 56.100 0.003 0.000 0.951 318 R CB -2.075 28.235 30.300 0.017 0.000 0.851 318 R HN 1.101 nan 8.270 nan 0.000 0.434 319 A N 0.765 123.590 122.820 0.009 0.000 1.902 319 A HA 0.210 4.529 4.320 -0.000 0.000 0.217 319 A C 2.850 180.449 177.584 0.025 0.000 1.181 319 A CA 2.102 54.145 52.037 0.011 0.000 0.623 319 A CB -0.956 18.040 19.000 -0.007 0.000 0.818 319 A HN 1.089 nan 8.150 nan 0.000 0.443 320 A N -1.049 121.793 122.820 0.037 0.000 1.948 320 A HA -0.155 4.165 4.320 -0.000 0.000 0.220 320 A C 2.260 179.909 177.584 0.107 0.000 1.177 320 A CA 2.418 54.507 52.037 0.086 0.000 0.636 320 A CB -1.275 17.767 19.000 0.070 0.000 0.815 320 A HN 0.440 nan 8.150 nan 0.000 0.449 321 T N -0.109 114.485 114.554 0.066 0.000 2.951 321 T HA 0.111 4.461 4.350 -0.000 0.000 0.268 321 T C 1.921 176.657 174.700 0.061 0.000 1.073 321 T CA 1.096 63.236 62.100 0.067 0.000 1.134 321 T CB -0.259 68.634 68.868 0.042 0.000 0.884 321 T HN 0.582 nan 8.240 nan 0.000 0.479 322 A N 0.625 123.471 122.820 0.044 0.000 2.239 322 A HA 0.206 4.526 4.320 -0.000 0.000 0.209 322 A C 1.956 179.546 177.584 0.009 0.000 1.171 322 A CA 0.444 52.497 52.037 0.027 0.000 0.768 322 A CB -0.744 18.269 19.000 0.022 0.000 0.790 322 A HN 0.554 nan 8.150 nan 0.000 0.478 323 I N -0.159 120.424 120.570 0.022 0.000 2.876 323 I HA -0.063 4.107 4.170 -0.000 0.000 0.264 323 I C 1.640 177.770 176.117 0.022 0.000 1.204 323 I CA 0.311 61.592 61.300 -0.032 0.000 1.485 323 I CB -0.967 36.972 38.000 -0.103 0.000 1.103 323 I HN 0.517 nan 8.210 nan 0.000 0.446 324 N N 2.637 121.387 118.700 0.084 0.000 2.294 324 N HA 0.332 5.072 4.740 -0.000 0.000 0.248 324 N C 0.032 175.566 175.510 0.041 0.000 1.242 324 N CA 1.035 54.137 53.050 0.087 0.000 0.848 324 N CB -0.094 38.442 38.487 0.080 0.000 1.084 324 N HN 0.372 nan 8.380 nan 0.000 0.457 325 K N -0.318 120.105 120.400 0.039 0.000 2.346 325 K HA 1.146 5.466 4.320 -0.000 0.000 0.238 325 K C 0.887 177.502 176.600 0.024 0.000 1.039 325 K CA 0.375 56.674 56.287 0.020 0.000 0.861 325 K CB 0.187 nan 32.500 nan 0.000 1.278 325 K HN 2.589 nan 8.250 nan 0.000 0.460 368 F N 1.201 121.201 119.950 0.083 0.000 2.043 368 F HA -0.042 4.485 4.527 -0.000 0.000 0.297 368 F C 1.978 177.872 175.800 0.157 0.000 1.118 368 F CA 2.171 60.243 58.000 0.120 0.000 1.202 368 F CB -0.373 38.685 39.000 0.097 0.000 0.965 368 F HN 0.589 nan 8.300 nan 0.000 0.482 369 I N 0.914 121.513 120.570 0.049 0.000 2.394 369 I HA -0.248 3.922 4.170 -0.000 0.000 0.251 369 I C 2.005 178.074 176.117 -0.080 0.000 1.136 369 I CA 1.613 62.867 61.300 -0.076 0.000 1.425 369 I CB -0.890 37.158 38.000 0.080 0.000 1.079 369 I HN 0.221 nan 8.210 nan 0.000 0.425 370 D N -0.751 119.650 120.400 0.002 0.000 2.117 370 D HA -0.253 4.387 4.640 -0.000 0.000 0.198 370 D C 1.984 178.299 176.300 0.025 0.000 0.982 370 D CA 1.399 55.410 54.000 0.018 0.000 0.828 370 D CB -0.403 40.427 40.800 0.050 0.000 0.967 370 D HN 0.422 nan 8.370 nan 0.000 0.464 371 Y N 2.105 122.354 120.300 -0.085 0.000 2.128 371 Y HA -0.213 4.337 4.550 -0.000 0.000 0.284 371 Y C 2.373 178.232 175.900 -0.069 0.000 1.154 371 Y CA 1.776 59.839 58.100 -0.062 0.000 1.149 371 Y CB -0.439 37.974 38.460 -0.078 0.000 0.976 371 Y HN -0.065 nan 8.280 nan 0.000 0.505 372 A N 0.338 123.010 122.820 -0.247 0.000 1.902 372 A HA -0.172 4.148 4.320 -0.000 0.000 0.217 372 A C 2.318 179.832 177.584 -0.117 0.000 1.181 372 A CA 2.012 53.891 52.037 -0.264 0.000 0.623 372 A CB -1.170 17.612 19.000 -0.364 0.000 0.818 372 A HN 0.582 nan 8.150 nan 0.000 0.443 373 I N -0.279 120.233 120.570 -0.096 0.000 2.226 373 I HA -0.227 3.943 4.170 -0.000 0.000 0.245 373 I C 3.077 179.161 176.117 -0.055 0.000 1.100 373 I CA 1.624 62.896 61.300 -0.046 0.000 1.374 373 I CB -0.596 37.383 38.000 -0.036 0.000 1.057 373 I HN 0.540 nan 8.210 nan 0.000 0.413 374 E N 0.330 120.481 120.200 -0.081 0.000 2.072 374 E HA -0.308 4.042 4.350 -0.000 0.000 0.191 374 E C 1.991 178.514 176.600 -0.129 0.000 0.985 374 E CA 1.435 57.778 56.400 -0.096 0.000 0.801 374 E CB -1.249 28.407 29.700 -0.073 0.000 0.750 374 E HN 0.643 nan 8.360 nan 0.000 0.452 375 Y N 0.844 120.971 120.300 -0.288 0.000 2.181 375 Y HA -0.129 4.421 4.550 -0.000 0.000 0.288 375 Y C 2.941 178.815 175.900 -0.044 0.000 1.146 375 Y CA 2.073 60.056 58.100 -0.195 0.000 1.164 375 Y CB -0.286 37.935 38.460 -0.399 0.000 0.982 375 Y HN 0.275 nan 8.280 nan 0.000 0.515 376 S N -0.163 115.600 115.700 0.104 0.000 2.355 376 S HA -0.199 4.271 4.470 -0.000 0.000 0.222 376 S C 1.828 176.408 174.600 -0.034 0.000 1.031 376 S CA 1.667 59.919 58.200 0.085 0.000 0.993 376 S CB -0.377 62.882 63.200 0.098 0.000 0.859 376 S HN 0.662 nan 8.310 nan 0.000 0.453 377 E N 0.450 120.605 120.200 -0.076 0.000 2.204 377 E HA -0.120 4.230 4.350 -0.000 0.000 0.194 377 E C 2.085 178.567 176.600 -0.197 0.000 0.989 377 E CA 0.803 57.140 56.400 -0.106 0.000 0.824 377 E CB -0.043 29.605 29.700 -0.086 0.000 0.756 377 E HN 0.507 nan 8.360 nan 0.000 0.477 378 K N -0.142 120.057 120.400 -0.335 0.000 2.137 378 K HA -0.056 4.264 4.320 -0.000 0.000 0.202 378 K C 0.998 177.180 176.600 -0.697 0.000 1.052 378 K CA 0.888 56.818 56.287 -0.595 0.000 0.961 378 K CB 0.248 32.214 32.500 -0.889 0.000 0.741 378 K HN 0.140 nan 8.250 nan 0.000 0.452 379 Y N -0.162 119.953 120.300 -0.308 0.000 2.445 379 Y HA 0.371 4.920 4.550 -0.000 0.000 0.247 379 Y C 0.499 176.313 175.900 -0.144 0.000 1.129 379 Y CA -0.612 57.319 58.100 -0.281 0.000 1.251 379 Y CB 0.819 38.972 38.460 -0.511 0.000 1.176 379 Y HN -0.007 nan 8.280 nan 0.000 0.522 380 A N 1.453 124.287 122.820 0.022 0.000 2.483 380 A HA 0.123 4.443 4.320 -0.000 0.000 0.238 380 A C -1.489 176.101 177.584 0.011 0.000 1.070 380 A CA -0.992 51.064 52.037 0.032 0.000 0.770 380 A CB -0.048 18.968 19.000 0.026 0.000 1.008 380 A HN 0.089 nan 8.150 nan 0.000 0.497 381 P HA -0.092 nan 4.420 nan 0.000 0.216 381 P C -0.130 177.165 177.300 -0.008 0.000 1.150 381 P CA 1.215 64.316 63.100 0.001 0.000 0.843 381 P CB -0.012 31.686 31.700 -0.002 0.000 0.787 382 L N -0.239 120.980 121.223 -0.006 0.000 2.276 382 L HA 0.318 4.658 4.340 -0.000 0.000 0.286 382 L C 0.610 177.470 176.870 -0.017 0.000 1.024 382 L CA -0.482 54.352 54.840 -0.010 0.000 0.826 382 L CB 1.220 43.276 42.059 -0.004 0.000 1.211 382 L HN -0.255 nan 8.230 nan 0.000 0.422 383 R N 4.348 124.830 120.500 -0.030 0.000 3.570 383 R HA 0.178 4.518 4.340 -0.000 0.000 0.233 383 R C -0.493 175.785 176.300 -0.037 0.000 1.492 383 R CA -0.215 55.857 56.100 -0.047 0.000 1.504 383 R CB 0.286 30.544 30.300 -0.070 0.000 1.314 383 R HN 0.615 nan 8.270 nan 0.000 0.687 384 Q N -0.125 119.661 119.800 -0.023 0.000 2.495 384 Q HA 0.382 4.722 4.340 -0.000 0.000 0.287 384 Q C -1.139 174.857 176.000 -0.007 0.000 1.078 384 Q CA -1.206 54.588 55.803 -0.014 0.000 0.793 384 Q CB 1.920 30.655 28.738 -0.006 0.000 1.459 384 Q HN -0.021 nan 8.270 nan 0.000 0.422 385 K N 1.210 121.608 120.400 -0.003 0.000 2.322 385 K HA 0.191 4.511 4.320 -0.000 0.000 0.283 385 K C -0.720 175.894 176.600 0.022 0.000 1.042 385 K CA -0.491 55.798 56.287 0.004 0.000 0.958 385 K CB 0.546 33.046 32.500 0.000 0.000 0.984 385 K HN 0.578 nan 8.250 nan 0.000 0.473 386 L N 6.626 127.871 121.223 0.036 0.000 2.361 386 L HA 0.230 4.570 4.340 -0.000 0.000 0.278 386 L C -1.056 175.858 176.870 0.074 0.000 1.113 386 L CA 0.281 55.162 54.840 0.069 0.000 0.849 386 L CB 0.286 42.406 42.059 0.100 0.000 1.155 386 L HN 0.520 nan 8.230 nan 0.000 0.452 387 L N 4.109 125.383 121.223 0.085 0.000 2.344 387 L HA 0.422 4.761 4.340 -0.000 0.000 0.272 387 L C 1.509 178.468 176.870 0.149 0.000 1.035 387 L CA -0.273 54.616 54.840 0.081 0.000 0.807 387 L CB 1.641 43.738 42.059 0.065 0.000 1.237 387 L HN 0.804 nan 8.230 nan 0.000 0.442 388 S N -1.058 114.705 115.700 0.105 0.000 2.399 388 S HA -0.187 4.283 4.470 -0.000 0.000 0.231 388 S C 1.629 176.368 174.600 0.231 0.000 1.022 388 S CA 1.484 59.807 58.200 0.204 0.000 0.983 388 S CB -0.740 62.489 63.200 0.050 0.000 0.803 388 S HN 0.886 nan 8.310 nan 0.000 0.480 389 T N -0.785 113.854 114.554 0.141 0.000 3.035 389 T HA 0.003 4.353 4.350 -0.000 0.000 0.268 389 T C 1.189 175.941 174.700 0.087 0.000 1.109 389 T CA 0.932 63.094 62.100 0.102 0.000 1.119 389 T CB -0.466 68.448 68.868 0.076 0.000 0.900 389 T HN 0.252 nan 8.240 nan 0.000 0.503 390 D N 1.323 121.783 120.400 0.100 0.000 2.144 390 D HA 0.000 4.640 4.640 -0.000 0.000 0.199 390 D C 1.771 178.107 176.300 0.061 0.000 0.984 390 D CA 0.740 54.785 54.000 0.075 0.000 0.834 390 D CB -0.173 40.675 40.800 0.081 0.000 0.955 390 D HN 0.381 nan 8.370 nan 0.000 0.465 391 I N 0.748 121.369 120.570 0.085 0.000 2.406 391 I HA -0.032 4.138 4.170 -0.000 0.000 0.249 391 I C 2.508 178.630 176.117 0.009 0.000 1.122 391 I CA 0.792 62.085 61.300 -0.011 0.000 1.431 391 I CB -0.554 37.324 38.000 -0.203 0.000 1.087 391 I HN -0.035 nan 8.210 nan 0.000 0.424 392 G N -0.087 108.748 108.800 0.058 0.000 2.440 392 G HA2 -0.285 3.675 3.960 -0.000 0.000 0.218 392 G HA3 -0.285 3.675 3.960 -0.000 0.000 0.218 392 G C 1.808 176.728 174.900 0.033 0.000 1.154 392 G CA 1.252 46.375 45.100 0.039 0.000 0.767 392 G HN 0.503 nan 8.290 nan 0.000 0.552 393 S N 0.121 115.845 115.700 0.040 0.000 2.406 393 S HA -0.034 4.436 4.470 -0.000 0.000 0.228 393 S C 2.277 176.920 174.600 0.072 0.000 1.020 393 S CA 1.219 59.446 58.200 0.046 0.000 0.965 393 S CB -0.296 62.923 63.200 0.032 0.000 0.798 393 S HN 0.116 nan 8.310 nan 0.000 0.488 394 V N 2.731 122.681 119.914 0.059 0.000 2.343 394 V HA -0.101 4.018 4.120 -0.000 0.000 0.247 394 V C 3.185 179.356 176.094 0.128 0.000 1.051 394 V CA 1.608 63.969 62.300 0.103 0.000 1.036 394 V CB -1.622 30.231 31.823 0.051 0.000 0.654 394 V HN 0.654 nan 8.190 nan 0.000 0.451 395 A N -0.292 122.558 122.820 0.049 0.000 1.908 395 A HA -0.272 4.048 4.320 -0.000 0.000 0.218 395 A C 2.584 180.181 177.584 0.021 0.000 1.181 395 A CA 2.435 54.480 52.037 0.014 0.000 0.627 395 A CB -0.876 18.115 19.000 -0.016 0.000 0.818 395 A HN 0.501 nan 8.150 nan 0.000 0.445 396 S N -1.548 114.178 115.700 0.044 0.000 2.368 396 S HA -0.161 4.309 4.470 -0.000 0.000 0.225 396 S C 1.785 176.427 174.600 0.069 0.000 1.030 396 S CA 1.609 59.833 58.200 0.040 0.000 0.999 396 S CB -0.549 62.678 63.200 0.045 0.000 0.844 396 S HN 0.635 nan 8.310 nan 0.000 0.459 397 F N 2.092 122.032 119.950 -0.017 0.000 2.102 397 F HA 0.038 4.565 4.527 -0.000 0.000 0.298 397 F C 1.765 177.557 175.800 -0.013 0.000 1.105 397 F CA 1.532 59.524 58.000 -0.013 0.000 1.239 397 F CB -0.542 38.452 39.000 -0.011 0.000 0.991 397 F HN 0.198 nan 8.300 nan 0.000 0.474 398 L N -0.109 120.978 121.223 -0.226 0.000 2.201 398 L HA -0.171 4.169 4.340 -0.000 0.000 0.212 398 L C 2.229 178.957 176.870 -0.236 0.000 1.105 398 L CA 0.788 55.435 54.840 -0.322 0.000 0.775 398 L CB -0.526 41.474 42.059 -0.098 0.000 0.913 398 L HN 0.256 nan 8.230 nan 0.000 0.440 399 L N -1.119 120.015 121.223 -0.147 0.000 2.418 399 L HA 0.011 4.351 4.340 -0.000 0.000 0.218 399 L C 1.566 178.370 176.870 -0.111 0.000 1.125 399 L CA -0.076 54.701 54.840 -0.105 0.000 0.835 399 L CB -0.199 41.823 42.059 -0.061 0.000 0.953 399 L HN 0.271 nan 8.230 nan 0.000 0.454 400 S N -1.073 114.539 115.700 -0.145 0.000 2.681 400 S HA 0.229 4.699 4.470 -0.000 0.000 0.270 400 S C 1.147 175.657 174.600 -0.150 0.000 1.209 400 S CA -0.750 57.384 58.200 -0.111 0.000 0.988 400 S CB 1.067 64.230 63.200 -0.062 0.000 1.006 400 S HN 0.069 nan 8.310 nan 0.000 0.558 401 R N 0.394 120.841 120.500 -0.089 0.000 2.285 401 R HA -0.007 4.333 4.340 -0.000 0.000 0.213 401 R C 1.248 177.495 176.300 -0.089 0.000 1.068 401 R CA 0.555 56.609 56.100 -0.077 0.000 1.004 401 R CB -0.395 29.884 30.300 -0.035 0.000 0.873 401 R HN 0.679 nan 8.270 nan 0.000 0.467 402 E N 0.192 120.332 120.200 -0.101 0.000 2.265 402 E HA -0.094 4.256 4.350 -0.000 0.000 0.196 402 E C 1.358 177.864 176.600 -0.156 0.000 0.996 402 E CA 1.185 57.564 56.400 -0.035 0.000 0.832 402 E CB -0.007 29.788 29.700 0.159 0.000 0.756 402 E HN 0.265 nan 8.360 nan 0.000 0.491 403 S N -0.444 114.989 115.700 -0.446 0.000 2.574 403 S HA 0.241 4.711 4.470 -0.000 0.000 0.242 403 S C 1.416 175.896 174.600 -0.200 0.000 0.982 403 S CA -0.457 57.462 58.200 -0.468 0.000 0.977 403 S CB 0.518 63.184 63.200 -0.891 0.000 0.814 403 S HN 0.028 nan 8.310 nan 0.000 0.464 404 R N 1.416 121.840 120.500 -0.126 0.000 2.227 404 R HA -0.263 4.077 4.340 -0.000 0.000 0.259 404 R C 1.830 178.105 176.300 -0.041 0.000 1.139 404 R CA 2.154 58.215 56.100 -0.065 0.000 0.969 404 R CB -0.634 29.646 30.300 -0.034 0.000 0.903 404 R HN 0.615 nan 8.270 nan 0.000 0.452 405 A N -0.411 122.394 122.820 -0.025 0.000 2.345 405 A HA 0.258 4.578 4.320 -0.000 0.000 0.225 405 A C 0.410 177.993 177.584 -0.000 0.000 1.243 405 A CA -0.203 51.832 52.037 -0.004 0.000 0.875 405 A CB 0.307 19.314 19.000 0.012 0.000 0.929 405 A HN 0.170 nan 8.150 nan 0.000 0.502 406 I N 0.139 120.699 120.570 -0.017 0.000 2.339 406 I HA 0.435 4.605 4.170 -0.000 0.000 0.290 406 I C -0.068 176.036 176.117 -0.021 0.000 0.994 406 I CA -0.180 61.116 61.300 -0.007 0.000 1.191 406 I CB 1.878 39.879 38.000 0.002 0.000 1.343 406 I HN 0.034 nan 8.210 nan 0.000 0.458 407 T N 3.225 117.776 114.554 -0.005 0.000 2.885 407 T HA 0.533 4.883 4.350 -0.000 0.000 0.322 407 T C 0.396 175.097 174.700 0.003 0.000 1.387 407 T CA 0.358 62.454 62.100 -0.007 0.000 1.041 407 T CB 1.562 70.428 68.868 -0.003 0.000 1.287 407 T HN 0.962 nan 8.240 nan 0.000 0.491 408 G N 2.329 111.128 108.800 -0.001 0.000 2.162 408 G HA2 -0.180 3.780 3.960 -0.000 0.000 0.260 408 G HA3 -0.180 3.780 3.960 -0.000 0.000 0.260 408 G C -0.038 174.862 174.900 -0.000 0.000 0.976 408 G CA 0.345 45.446 45.100 0.002 0.000 0.655 408 G HN 0.722 nan 8.290 nan 0.000 0.533 409 Q N 0.223 120.022 119.800 -0.001 0.000 2.214 409 Q HA 0.589 4.929 4.340 -0.000 0.000 0.251 409 Q C -0.109 175.885 176.000 -0.010 0.000 0.936 409 Q CA -0.108 55.700 55.803 0.007 0.000 0.894 409 Q CB 1.383 30.135 28.738 0.022 0.000 1.252 409 Q HN 0.168 nan 8.270 nan 0.000 0.448 410 T N 2.720 117.273 114.554 -0.002 0.000 2.753 410 T HA 0.430 4.780 4.350 -0.000 0.000 0.297 410 T C 0.068 174.748 174.700 -0.034 0.000 0.981 410 T CA -0.418 61.648 62.100 -0.056 0.000 0.956 410 T CB 0.200 69.037 68.868 -0.053 0.000 0.936 410 T HN 0.233 nan 8.240 nan 0.000 0.463 411 I N 4.094 124.620 120.570 -0.075 0.000 2.321 411 I HA 0.275 4.445 4.170 -0.000 0.000 0.291 411 I C -0.249 175.819 176.117 -0.082 0.000 0.998 411 I CA -0.989 60.310 61.300 -0.002 0.000 1.227 411 I CB 0.703 38.718 38.000 0.026 0.000 1.368 411 I HN 0.616 nan 8.210 nan 0.000 0.466 412 Y N 5.164 125.444 120.300 -0.033 0.000 2.393 412 Y HA 0.243 4.793 4.550 -0.000 0.000 0.338 412 Y C 0.541 176.415 175.900 -0.043 0.000 1.029 412 Y CA -0.143 57.925 58.100 -0.053 0.000 1.239 412 Y CB 1.061 39.470 38.460 -0.086 0.000 1.170 412 Y HN 0.238 nan 8.280 nan 0.000 0.515 413 V N 4.290 124.228 119.914 0.040 0.000 2.266 413 V HA 0.205 4.325 4.120 -0.000 0.000 0.266 413 V C -0.589 175.535 176.094 0.050 0.000 1.036 413 V CA -0.575 61.740 62.300 0.026 0.000 0.828 413 V CB 0.566 32.371 31.823 -0.030 0.000 1.081 413 V HN 0.884 nan 8.190 nan 0.000 0.449 414 D N 1.691 122.140 120.400 0.083 0.000 2.881 414 D HA 0.061 4.701 4.640 -0.000 0.000 0.325 414 D C 0.415 176.759 176.300 0.074 0.000 1.621 414 D CA -0.519 53.542 54.000 0.101 0.000 0.785 414 D CB -0.350 40.536 40.800 0.143 0.000 1.233 414 D HN 0.227 nan 8.370 nan 0.000 0.447 415 N N 0.909 119.641 118.700 0.052 0.000 2.681 415 N HA -0.180 4.560 4.740 -0.000 0.000 0.250 415 N C 1.295 176.816 175.510 0.019 0.000 1.133 415 N CA 1.751 54.820 53.050 0.032 0.000 0.732 415 N CB -1.486 37.021 38.487 0.033 0.000 1.107 415 N HN 0.838 nan 8.380 nan 0.000 0.559 416 G N -1.030 107.777 108.800 0.013 0.000 2.162 416 G HA2 -0.376 3.584 3.960 -0.000 0.000 0.260 416 G HA3 -0.376 3.584 3.960 -0.000 0.000 0.260 416 G C 0.902 175.784 174.900 -0.030 0.000 0.976 416 G CA 0.629 45.717 45.100 -0.020 0.000 0.655 416 G HN 0.472 nan 8.290 nan 0.000 0.533 417 L N 2.012 123.237 121.223 0.005 0.000 2.081 417 L HA -0.096 4.244 4.340 -0.000 0.000 0.212 417 L C 2.512 179.360 176.870 -0.036 0.000 1.080 417 L CA 3.182 58.042 54.840 0.034 0.000 0.754 417 L CB -0.782 41.336 42.059 0.099 0.000 0.893 417 L HN 0.708 nan 8.230 nan 0.000 0.433 418 N N 0.177 118.767 118.700 -0.182 0.000 2.348 418 N HA -0.234 4.506 4.740 -0.000 0.000 0.185 418 N C 1.779 177.121 175.510 -0.281 0.000 1.019 418 N CA 1.823 54.610 53.050 -0.439 0.000 0.880 418 N CB -0.905 36.997 38.487 -0.974 0.000 0.965 418 N HN 0.699 nan 8.380 nan 0.000 0.437 419 I N -3.548 116.913 120.570 -0.181 0.000 3.251 419 I HA 0.153 4.323 4.170 -0.000 0.000 0.277 419 I C 0.131 176.234 176.117 -0.024 0.000 1.268 419 I CA -0.093 61.137 61.300 -0.116 0.000 1.449 419 I CB -0.124 37.818 38.000 -0.097 0.000 1.083 419 I HN -0.016 nan 8.210 nan 0.000 0.464 420 M N 0.625 120.237 119.600 0.020 0.000 2.235 420 M HA 0.189 4.669 4.480 -0.000 0.000 0.351 420 M C 0.387 176.796 176.300 0.181 0.000 1.178 420 M CA 0.062 55.413 55.300 0.086 0.000 1.143 420 M CB 1.256 33.906 32.600 0.083 0.000 1.530 420 M HN 0.213 nan 8.290 nan 0.000 0.461 421 F N 2.006 121.952 119.950 -0.008 0.000 2.394 421 F HA 0.318 4.845 4.527 -0.000 0.000 0.269 421 F C 0.040 175.834 175.800 -0.011 0.000 1.012 421 F CA -0.089 57.908 58.000 -0.005 0.000 1.138 421 F CB 0.659 39.653 39.000 -0.011 0.000 1.140 421 F HN 0.316 nan 8.300 nan 0.000 0.623 422 L N 2.458 123.601 121.223 -0.134 0.000 2.309 422 L HA 0.390 4.730 4.340 -0.000 0.000 0.282 422 L C -2.098 174.659 176.870 -0.188 0.000 1.036 422 L CA -2.262 52.404 54.840 -0.290 0.000 0.806 422 L CB 0.785 42.620 42.059 -0.374 0.000 1.220 422 L HN 0.117 nan 8.230 nan 0.000 0.429 423 P HA 0.099 nan 4.420 nan 0.000 0.271 423 P C -1.222 175.950 177.300 -0.212 0.000 1.233 423 P CA -0.379 62.417 63.100 -0.507 0.000 0.789 423 P CB 0.493 31.601 31.700 -0.986 0.000 0.951 424 D N 0.000 120.380 120.400 -0.034 0.000 6.856 424 D HA 0.000 4.640 4.640 -0.000 0.000 0.175 424 D CA 0.000 54.042 54.000 0.071 0.000 0.868 424 D CB 0.000 40.863 40.800 0.105 0.000 0.688 424 D HN 0.000 nan 8.370 nan 0.000 0.683