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 3fsy_1_E DATA FIRST_RESID 5 DATA SEQUENCE TGAAGIGLAT LAADGSVLDT WFPAPELTES GTSATSRLAV SDVPVELAAL DATA SEQUENCE IGRDDDRRTE TIAVRTVIGS LDDVAADPYD AYLRLHLLSH RLVAPHGLNA DATA SEQUENCE GGLFGVLTNV VWTNHGPCAI DGFEAVRARL RRRGPVTVYG VDKFPRMVDY DATA SEQUENCE VVPTGVRIAD ADRVRLGAHL APGTTVMHEG FVNYNAGTLG ASMVEGRISA DATA SEQUENCE GVVVGDGSDV GGGASIMGTL XXXXXHVISI GKRCLLGANS GLGISLGDDC DATA SEQUENCE VVEAGLYVTA GTRVTMPDSN SVKARELSGS SNLLFRRNSV SGAVEVLARD DATA SEQUENCE GQGIAL 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 T HA 0.000 nan 4.350 nan 0.000 0.228 5 T C 0.000 174.697 174.700 -0.005 0.000 1.109 5 T CA 0.000 62.099 62.100 -0.002 0.000 1.349 5 T CB 0.000 68.869 68.868 0.001 0.000 0.612 6 G N 0.722 109.515 108.800 -0.012 0.000 3.107 6 G HA2 1.011 4.971 3.960 -0.000 0.000 0.232 6 G HA3 1.011 4.971 3.960 -0.000 0.000 0.232 6 G C -1.126 173.755 174.900 -0.033 0.000 1.339 6 G CA -0.516 44.572 45.100 -0.019 0.000 1.033 6 G HN 1.328 nan 8.290 nan 0.000 0.567 7 A N -2.196 120.594 122.820 -0.050 0.000 2.594 7 A HA 0.869 5.189 4.320 -0.000 0.000 0.296 7 A C -0.857 176.663 177.584 -0.108 0.000 1.056 7 A CA 0.215 52.204 52.037 -0.080 0.000 0.693 7 A CB 1.069 20.014 19.000 -0.093 0.000 1.278 7 A HN 2.269 nan 8.150 nan 0.000 0.408 8 A N 0.084 122.825 122.820 -0.132 0.000 2.475 8 A HA 0.973 5.293 4.320 -0.000 0.000 0.301 8 A C -0.154 177.311 177.584 -0.199 0.000 1.059 8 A CA -0.115 51.838 52.037 -0.141 0.000 0.710 8 A CB 1.796 20.746 19.000 -0.083 0.000 1.288 8 A HN 2.447 nan 8.150 nan 0.000 0.408 9 G N 0.624 109.294 108.800 -0.215 0.000 2.731 9 G HA2 0.552 4.512 3.960 -0.000 0.000 0.298 9 G HA3 0.552 4.512 3.960 -0.000 0.000 0.298 9 G C -0.915 174.050 174.900 0.108 0.000 1.424 9 G CA -0.548 44.460 45.100 -0.153 0.000 1.029 9 G HN 0.696 nan 8.290 nan 0.000 0.518 10 I N 1.712 122.328 120.570 0.077 0.000 2.471 10 I HA 0.458 4.628 4.170 -0.000 0.000 0.286 10 I C 0.972 177.129 176.117 0.067 0.000 1.079 10 I CA 0.153 61.487 61.300 0.056 0.000 1.398 10 I CB 1.222 39.202 38.000 -0.033 0.000 1.403 10 I HN 0.513 nan 8.210 nan 0.000 0.530 11 G N 6.183 114.954 108.800 -0.049 0.000 2.563 11 G HA2 0.625 4.585 3.960 -0.000 0.000 0.302 11 G HA3 0.625 4.585 3.960 -0.000 0.000 0.302 11 G C -1.764 172.938 174.900 -0.330 0.000 1.301 11 G CA -0.583 44.240 45.100 -0.461 0.000 0.965 11 G HN 0.379 nan 8.290 nan 0.000 0.480 12 L N 1.585 122.624 121.223 -0.305 0.000 2.272 12 L HA 0.805 5.145 4.340 -0.000 0.000 0.289 12 L C 0.370 177.185 176.870 -0.093 0.000 1.032 12 L CA -0.367 54.411 54.840 -0.103 0.000 0.810 12 L CB 1.199 43.294 42.059 0.061 0.000 1.205 12 L HN 0.739 nan 8.230 nan 0.000 0.422 13 A N 2.905 125.699 122.820 -0.042 0.000 2.355 13 A HA 0.818 5.138 4.320 -0.000 0.000 0.324 13 A C -0.532 177.062 177.584 0.016 0.000 1.117 13 A CA -0.502 51.532 52.037 -0.005 0.000 0.785 13 A CB 1.064 20.155 19.000 0.150 0.000 1.254 13 A HN 0.632 nan 8.150 nan 0.000 0.453 14 T N 2.852 117.401 114.554 -0.009 0.000 2.772 14 T HA 0.512 4.861 4.350 -0.000 0.000 0.288 14 T C -0.598 174.084 174.700 -0.030 0.000 0.994 14 T CA -0.232 61.865 62.100 -0.004 0.000 0.951 14 T CB 0.387 69.258 68.868 0.004 0.000 0.933 14 T HN 0.328 nan 8.240 nan 0.000 0.447 15 L N 2.857 124.074 121.223 -0.010 0.000 2.334 15 L HA 0.738 5.078 4.340 -0.000 0.000 0.275 15 L C 0.812 177.663 176.870 -0.031 0.000 1.036 15 L CA -0.712 54.114 54.840 -0.023 0.000 0.807 15 L CB 0.684 42.748 42.059 0.010 0.000 1.231 15 L HN 0.777 nan 8.230 nan 0.000 0.438 16 A N 1.980 124.771 122.820 -0.048 0.000 2.292 16 A HA 0.568 4.888 4.320 -0.000 0.000 0.265 16 A C 1.369 178.937 177.584 -0.027 0.000 1.133 16 A CA 0.419 52.429 52.037 -0.045 0.000 0.807 16 A CB -0.160 18.803 19.000 -0.061 0.000 1.102 16 A HN 0.943 nan 8.150 nan 0.000 0.502 17 A N -0.166 122.641 122.820 -0.023 0.000 1.978 17 A HA -0.125 4.195 4.320 -0.000 0.000 0.220 17 A C 1.224 178.798 177.584 -0.015 0.000 1.170 17 A CA 2.059 54.086 52.037 -0.016 0.000 0.636 17 A CB -0.568 18.423 19.000 -0.015 0.000 0.810 17 A HN 0.853 nan 8.150 nan 0.000 0.448 18 D N -2.761 117.627 120.400 -0.021 0.000 2.388 18 D HA 0.332 4.972 4.640 -0.000 0.000 0.221 18 D C 1.111 177.400 176.300 -0.018 0.000 1.133 18 D CA 0.753 54.742 54.000 -0.019 0.000 0.831 18 D CB -0.406 40.381 40.800 -0.022 0.000 0.962 18 D HN 0.666 nan 8.370 nan 0.000 0.502 19 G N 0.863 109.654 108.800 -0.016 0.000 2.320 19 G HA2 -0.341 3.619 3.960 -0.000 0.000 0.242 19 G HA3 -0.341 3.619 3.960 -0.000 0.000 0.242 19 G C 0.524 175.408 174.900 -0.028 0.000 1.033 19 G CA 0.353 45.448 45.100 -0.009 0.000 0.620 19 G HN 0.892 nan 8.290 nan 0.000 0.517 20 S N 0.202 115.872 115.700 -0.049 0.000 2.573 20 S HA 0.376 4.846 4.470 -0.000 0.000 0.297 20 S C 0.422 174.957 174.600 -0.108 0.000 1.280 20 S CA 0.104 58.256 58.200 -0.081 0.000 1.061 20 S CB 1.790 64.939 63.200 -0.085 0.000 0.812 20 S HN 1.227 nan 8.310 nan 0.000 0.500 21 V N 5.339 125.152 119.914 -0.169 0.000 2.405 21 V HA 0.110 4.230 4.120 -0.000 0.000 0.264 21 V C 1.241 177.235 176.094 -0.166 0.000 1.048 21 V CA -0.252 61.914 62.300 -0.224 0.000 0.966 21 V CB 0.088 31.617 31.823 -0.490 0.000 1.015 21 V HN 0.932 nan 8.190 nan 0.000 0.477 22 L N 3.186 124.321 121.223 -0.147 0.000 2.127 22 L HA 0.165 4.505 4.340 -0.000 0.000 0.203 22 L C 0.825 177.645 176.870 -0.083 0.000 1.080 22 L CA 0.873 55.624 54.840 -0.149 0.000 0.768 22 L CB -0.074 41.860 42.059 -0.209 0.000 0.924 22 L HN 0.861 nan 8.230 nan 0.000 0.444 23 D N -2.425 117.856 120.400 -0.198 0.000 2.768 23 D HA 0.345 4.985 4.640 -0.000 0.000 0.327 23 D C -0.826 175.093 176.300 -0.634 0.000 1.302 23 D CA -0.429 53.205 54.000 -0.610 0.000 0.897 23 D CB 1.839 42.638 40.800 -0.002 0.000 1.420 23 D HN -0.239 nan 8.370 nan 0.000 0.494 24 T N -0.347 113.703 114.554 -0.841 0.000 3.041 24 T HA 0.384 4.734 4.350 -0.000 0.000 0.321 24 T C -1.961 172.708 174.700 -0.052 0.000 1.184 24 T CA -0.549 61.316 62.100 -0.390 0.000 1.050 24 T CB 1.236 69.812 68.868 -0.487 0.000 1.159 24 T HN 0.495 nan 8.240 nan 0.000 0.469 25 W N 5.135 126.330 121.300 -0.175 0.000 2.361 25 W HA 0.714 5.374 4.660 -0.000 0.000 0.314 25 W C -2.116 174.234 176.519 -0.282 0.000 1.041 25 W CA -2.187 55.230 57.345 0.120 0.000 1.241 25 W CB 0.219 29.791 29.460 0.187 0.000 1.279 25 W HN 0.534 nan 8.180 nan 0.000 0.436 26 F N 9.103 128.783 119.950 -0.449 0.000 2.332 26 F HA 0.314 4.841 4.527 -0.000 0.000 0.368 26 F C -1.323 174.152 175.800 -0.542 0.000 1.110 26 F CA -2.292 55.380 58.000 -0.547 0.000 1.087 26 F CB 1.274 39.978 39.000 -0.493 0.000 1.235 26 F HN 0.214 nan 8.300 nan 0.000 0.470 27 P HA -0.051 nan 4.420 nan 0.000 0.220 27 P C 0.471 177.704 177.300 -0.111 0.000 1.152 27 P CA 0.814 63.679 63.100 -0.391 0.000 0.812 27 P CB 0.439 31.785 31.700 -0.589 0.000 0.792 28 A N -0.490 122.241 122.820 -0.148 0.000 3.113 28 A HA 0.385 4.705 4.320 -0.000 0.000 0.307 28 A C -2.243 175.255 177.584 -0.143 0.000 1.025 28 A CA -1.187 50.784 52.037 -0.111 0.000 1.012 28 A CB -0.483 18.468 19.000 -0.081 0.000 1.085 28 A HN 0.079 nan 8.150 nan 0.000 0.519 29 P HA 0.312 nan 4.420 nan 0.000 0.272 29 P C -0.516 176.677 177.300 -0.179 0.000 1.223 29 P CA 0.317 63.261 63.100 -0.260 0.000 0.784 29 P CB 1.006 32.501 31.700 -0.342 0.000 0.923 30 E N 1.319 121.431 120.200 -0.146 0.000 2.433 30 E HA 0.448 4.798 4.350 -0.000 0.000 0.278 30 E C -1.202 175.352 176.600 -0.076 0.000 0.976 30 E CA -1.059 55.288 56.400 -0.088 0.000 0.793 30 E CB 0.924 30.584 29.700 -0.065 0.000 1.311 30 E HN 0.215 nan 8.360 nan 0.000 0.460 31 L N 1.577 122.773 121.223 -0.045 0.000 2.331 31 L HA 0.401 4.741 4.340 -0.000 0.000 0.278 31 L C 0.090 176.942 176.870 -0.032 0.000 1.106 31 L CA -0.267 54.553 54.840 -0.034 0.000 0.824 31 L CB 1.318 43.367 42.059 -0.016 0.000 1.142 31 L HN 0.618 nan 8.230 nan 0.000 0.443 32 T N 1.431 115.965 114.554 -0.032 0.000 2.940 32 T HA 0.380 4.730 4.350 -0.000 0.000 0.288 32 T C -0.316 174.373 174.700 -0.019 0.000 1.045 32 T CA -0.656 61.428 62.100 -0.028 0.000 1.018 32 T CB 1.914 70.761 68.868 -0.034 0.000 1.151 32 T HN 0.489 nan 8.240 nan 0.000 0.529 33 E N 0.594 120.785 120.200 -0.015 0.000 2.351 33 E HA 0.457 4.807 4.350 -0.000 0.000 0.255 33 E C -0.096 176.497 176.600 -0.011 0.000 1.188 33 E CA -0.434 55.960 56.400 -0.010 0.000 0.940 33 E CB 0.355 30.050 29.700 -0.008 0.000 1.094 33 E HN 0.401 nan 8.360 nan 0.000 0.474 34 S N -0.120 115.576 115.700 -0.007 0.000 2.560 34 S HA 0.479 4.949 4.470 -0.000 0.000 0.284 34 S C 0.209 174.805 174.600 -0.006 0.000 1.327 34 S CA 0.270 58.467 58.200 -0.005 0.000 1.055 34 S CB 0.481 63.680 63.200 -0.002 0.000 0.868 34 S HN 0.589 nan 8.310 nan 0.000 0.506 35 G N 1.340 110.136 108.800 -0.006 0.000 2.650 35 G HA2 0.536 4.496 3.960 -0.000 0.000 0.310 35 G HA3 0.536 4.496 3.960 -0.000 0.000 0.310 35 G C -1.251 173.647 174.900 -0.004 0.000 1.270 35 G CA -0.665 44.431 45.100 -0.006 0.000 0.810 35 G HN 0.573 nan 8.290 nan 0.000 0.493 36 T N 0.929 115.480 114.554 -0.004 0.000 2.882 36 T HA 0.527 4.877 4.350 -0.000 0.000 0.287 36 T C 0.145 174.845 174.700 0.000 0.000 0.992 36 T CA -0.027 62.073 62.100 0.000 0.000 1.076 36 T CB 1.357 70.225 68.868 0.001 0.000 0.961 36 T HN 0.351 nan 8.240 nan 0.000 0.490 37 S N 2.356 118.060 115.700 0.007 0.000 2.464 37 S HA 0.596 5.066 4.470 -0.000 0.000 0.313 37 S C 0.002 174.612 174.600 0.018 0.000 1.078 37 S CA -0.739 57.468 58.200 0.012 0.000 1.096 37 S CB -0.032 63.181 63.200 0.021 0.000 1.032 37 S HN 0.862 nan 8.310 nan 0.000 0.498 38 A N 2.779 125.603 122.820 0.007 0.000 2.469 38 A HA 0.836 5.156 4.320 -0.000 0.000 0.299 38 A C -0.214 177.360 177.584 -0.017 0.000 1.098 38 A CA -0.738 51.301 52.037 0.004 0.000 0.737 38 A CB 1.383 20.380 19.000 -0.005 0.000 1.312 38 A HN 0.436 nan 8.150 nan 0.000 0.414 39 T N 1.961 116.489 114.554 -0.045 0.000 2.770 39 T HA 0.569 4.919 4.350 -0.000 0.000 0.283 39 T C -0.227 174.373 174.700 -0.165 0.000 0.988 39 T CA -0.125 61.883 62.100 -0.152 0.000 0.957 39 T CB 0.850 69.491 68.868 -0.379 0.000 0.930 39 T HN 0.610 nan 8.240 nan 0.000 0.443 40 S N 2.562 118.177 115.700 -0.141 0.000 2.475 40 S HA 0.514 4.984 4.470 -0.000 0.000 0.298 40 S C 0.045 174.565 174.600 -0.132 0.000 1.119 40 S CA -1.057 57.077 58.200 -0.111 0.000 1.085 40 S CB 1.423 64.582 63.200 -0.068 0.000 1.028 40 S HN 0.689 nan 8.310 nan 0.000 0.489 41 R N 2.343 122.777 120.500 -0.109 0.000 2.489 41 R HA 0.282 4.622 4.340 -0.000 0.000 0.287 41 R C -1.140 175.123 176.300 -0.062 0.000 1.053 41 R CA 0.152 56.200 56.100 -0.088 0.000 1.036 41 R CB -0.218 30.048 30.300 -0.056 0.000 0.966 41 R HN 0.647 nan 8.270 nan 0.000 0.432 42 L N 4.194 125.383 121.223 -0.058 0.000 2.307 42 L HA 0.534 4.874 4.340 -0.000 0.000 0.282 42 L C 0.447 177.298 176.870 -0.031 0.000 1.051 42 L CA -0.898 53.916 54.840 -0.043 0.000 0.804 42 L CB 1.720 43.753 42.059 -0.044 0.000 1.197 42 L HN 0.868 nan 8.230 nan 0.000 0.431 43 A N 2.011 124.816 122.820 -0.025 0.000 2.346 43 A HA 0.292 4.612 4.320 -0.000 0.000 0.252 43 A C 1.173 178.746 177.584 -0.017 0.000 1.089 43 A CA -0.076 51.950 52.037 -0.018 0.000 0.797 43 A CB 0.645 19.636 19.000 -0.015 0.000 1.047 43 A HN 0.750 nan 8.150 nan 0.000 0.494 44 V N -0.313 119.593 119.914 -0.013 0.000 2.913 44 V HA -0.142 3.978 4.120 -0.000 0.000 0.260 44 V C 2.061 178.148 176.094 -0.012 0.000 1.098 44 V CA 2.190 64.483 62.300 -0.012 0.000 1.121 44 V CB -1.553 30.265 31.823 -0.007 0.000 0.714 44 V HN 1.140 nan 8.190 nan 0.000 0.487 45 S N 0.798 116.491 115.700 -0.011 0.000 2.442 45 S HA -0.214 4.256 4.470 -0.000 0.000 0.236 45 S C 1.365 175.957 174.600 -0.014 0.000 1.007 45 S CA 1.488 59.681 58.200 -0.011 0.000 0.965 45 S CB -0.645 62.548 63.200 -0.010 0.000 0.773 45 S HN 0.695 nan 8.310 nan 0.000 0.504 46 D N 0.991 121.381 120.400 -0.018 0.000 2.350 46 D HA 0.196 4.836 4.640 -0.000 0.000 0.213 46 D C -0.019 176.266 176.300 -0.025 0.000 1.031 46 D CA 0.172 54.159 54.000 -0.021 0.000 0.861 46 D CB 0.349 41.135 40.800 -0.025 0.000 0.926 46 D HN 0.336 nan 8.370 nan 0.000 0.520 47 V N 3.119 123.019 119.914 -0.023 0.000 2.394 47 V HA 0.253 4.373 4.120 -0.000 0.000 0.282 47 V C -2.014 174.067 176.094 -0.023 0.000 1.031 47 V CA -1.782 60.502 62.300 -0.027 0.000 0.881 47 V CB 1.383 33.191 31.823 -0.024 0.000 0.982 47 V HN -0.104 nan 8.190 nan 0.000 0.451 48 P HA 0.043 nan 4.420 nan 0.000 0.267 48 P C 1.190 178.483 177.300 -0.011 0.000 1.201 48 P CA 0.047 63.134 63.100 -0.022 0.000 0.775 48 P CB 0.725 32.405 31.700 -0.034 0.000 0.854 49 V N 2.118 122.031 119.914 -0.002 0.000 2.282 49 V HA -0.264 3.856 4.120 -0.000 0.000 0.249 49 V C 2.362 178.466 176.094 0.016 0.000 1.057 49 V CA 1.988 64.292 62.300 0.007 0.000 1.032 49 V CB -1.004 30.825 31.823 0.009 0.000 0.645 49 V HN 0.622 nan 8.190 nan 0.000 0.447 50 E N -0.325 119.887 120.200 0.021 0.000 2.110 50 E HA -0.181 4.169 4.350 -0.000 0.000 0.193 50 E C 2.260 178.895 176.600 0.058 0.000 0.988 50 E CA 1.235 57.662 56.400 0.044 0.000 0.804 50 E CB -0.150 29.582 29.700 0.054 0.000 0.745 50 E HN 0.519 nan 8.360 nan 0.000 0.458 51 L N 0.344 121.583 121.223 0.027 0.000 2.056 51 L HA -0.125 4.215 4.340 -0.000 0.000 0.207 51 L C 2.673 179.564 176.870 0.035 0.000 1.078 51 L CA 0.832 55.690 54.840 0.030 0.000 0.749 51 L CB -0.687 41.349 42.059 -0.038 0.000 0.901 51 L HN 0.119 nan 8.230 nan 0.000 0.433 52 A N 0.595 123.426 122.820 0.017 0.000 1.927 52 A HA -0.264 4.056 4.320 -0.000 0.000 0.220 52 A C 2.281 179.880 177.584 0.024 0.000 1.185 52 A CA 2.041 54.087 52.037 0.015 0.000 0.639 52 A CB -0.648 18.357 19.000 0.008 0.000 0.820 52 A HN 0.438 nan 8.150 nan 0.000 0.451 53 A N -1.383 121.457 122.820 0.033 0.000 2.252 53 A HA 0.430 4.750 4.320 -0.000 0.000 0.207 53 A C 1.492 179.102 177.584 0.042 0.000 1.194 53 A CA 0.666 52.723 52.037 0.034 0.000 0.809 53 A CB -0.370 18.651 19.000 0.034 0.000 0.814 53 A HN 0.476 nan 8.150 nan 0.000 0.482 54 L N -1.052 120.203 121.223 0.053 0.000 2.858 54 L HA 0.369 4.709 4.340 -0.000 0.000 0.251 54 L C 0.071 176.973 176.870 0.053 0.000 1.149 54 L CA -0.103 54.775 54.840 0.064 0.000 0.955 54 L CB 0.229 42.354 42.059 0.110 0.000 1.289 54 L HN 0.209 nan 8.230 nan 0.000 0.542 55 I N 1.009 121.602 120.570 0.038 0.000 2.441 55 I HA 0.443 4.613 4.170 -0.000 0.000 0.287 55 I C 0.617 176.748 176.117 0.023 0.000 1.049 55 I CA 0.169 61.485 61.300 0.027 0.000 1.381 55 I CB 1.089 39.099 38.000 0.016 0.000 1.409 55 I HN 0.109 nan 8.210 nan 0.000 0.523 56 G N 5.815 114.628 108.800 0.021 0.000 2.316 56 G HA2 0.240 4.200 3.960 -0.000 0.000 0.296 56 G HA3 0.240 4.200 3.960 -0.000 0.000 0.296 56 G C -1.459 173.451 174.900 0.017 0.000 1.399 56 G CA -0.993 44.118 45.100 0.017 0.000 0.833 56 G HN 0.446 nan 8.290 nan 0.000 0.565 57 R N 0.299 120.807 120.500 0.013 0.000 2.349 57 R HA 0.383 4.722 4.340 -0.000 0.000 0.299 57 R C -1.135 175.172 176.300 0.013 0.000 1.027 57 R CA -0.604 55.503 56.100 0.011 0.000 0.958 57 R CB 1.327 31.631 30.300 0.007 0.000 1.047 57 R HN 0.433 nan 8.270 nan 0.000 0.468 58 D N 2.682 123.090 120.400 0.014 0.000 2.454 58 D HA 0.029 4.669 4.640 -0.000 0.000 0.225 58 D C -0.228 176.074 176.300 0.004 0.000 1.081 58 D CA -0.429 53.580 54.000 0.015 0.000 0.864 58 D CB 1.012 41.828 40.800 0.026 0.000 1.040 58 D HN 0.499 nan 8.370 nan 0.000 0.517 59 D N 1.685 122.084 120.400 -0.001 0.000 2.340 59 D HA -0.046 4.594 4.640 -0.000 0.000 0.220 59 D C 0.683 176.971 176.300 -0.020 0.000 1.039 59 D CA 0.028 54.022 54.000 -0.010 0.000 0.866 59 D CB 0.462 41.257 40.800 -0.009 0.000 0.913 59 D HN 0.171 nan 8.370 nan 0.000 0.523 60 D N 0.702 121.088 120.400 -0.022 0.000 2.201 60 D HA 0.047 4.687 4.640 -0.000 0.000 0.209 60 D C 1.611 177.879 176.300 -0.052 0.000 0.961 60 D CA 0.682 54.654 54.000 -0.046 0.000 0.861 60 D CB 0.103 40.870 40.800 -0.055 0.000 0.997 60 D HN 0.142 nan 8.370 nan 0.000 0.486 61 R N -0.014 120.471 120.500 -0.024 0.000 2.317 61 R HA 0.253 4.593 4.340 -0.000 0.000 0.208 61 R C 0.247 176.544 176.300 -0.005 0.000 0.914 61 R CA -0.131 55.965 56.100 -0.007 0.000 1.060 61 R CB 0.470 30.785 30.300 0.024 0.000 1.015 61 R HN -0.097 nan 8.270 nan 0.000 0.498 62 R N 0.575 121.068 120.500 -0.011 0.000 3.770 62 R HA -0.130 4.210 4.340 -0.000 0.000 0.305 62 R C -0.368 175.928 176.300 -0.007 0.000 1.184 62 R CA 1.493 57.587 56.100 -0.011 0.000 0.823 62 R CB -2.740 27.551 30.300 -0.014 0.000 1.285 62 R HN 0.470 nan 8.270 nan 0.000 0.499 63 T N -2.956 111.597 114.554 -0.001 0.000 2.929 63 T HA 0.631 4.981 4.350 -0.000 0.000 0.284 63 T C -0.043 174.660 174.700 0.005 0.000 1.014 63 T CA -0.854 61.245 62.100 -0.001 0.000 1.051 63 T CB 3.066 71.934 68.868 0.001 0.000 1.028 63 T HN 0.238 nan 8.240 nan 0.000 0.485 64 E N 0.202 120.405 120.200 0.006 0.000 2.244 64 E HA 0.551 4.901 4.350 -0.000 0.000 0.266 64 E C -1.201 175.409 176.600 0.017 0.000 0.914 64 E CA -0.816 55.591 56.400 0.012 0.000 0.794 64 E CB 1.736 31.443 29.700 0.012 0.000 1.210 64 E HN 0.727 nan 8.360 nan 0.000 0.414 65 T N 4.464 119.031 114.554 0.021 0.000 2.815 65 T HA 0.453 4.803 4.350 -0.000 0.000 0.289 65 T C -0.330 174.383 174.700 0.021 0.000 1.000 65 T CA -0.581 61.535 62.100 0.027 0.000 0.958 65 T CB 0.068 68.959 68.868 0.037 0.000 0.944 65 T HN 0.455 nan 8.240 nan 0.000 0.442 66 I N -0.071 120.510 120.570 0.018 0.000 2.846 66 I HA 0.963 5.133 4.170 -0.000 0.000 0.307 66 I C -0.264 175.843 176.117 -0.016 0.000 1.053 66 I CA -1.683 59.619 61.300 0.004 0.000 1.050 66 I CB 1.803 39.806 38.000 0.006 0.000 1.239 66 I HN 0.570 nan 8.210 nan 0.000 0.439 67 A N 4.012 126.814 122.820 -0.030 0.000 2.331 67 A HA 0.690 5.010 4.320 -0.000 0.000 0.283 67 A C -0.181 177.356 177.584 -0.077 0.000 1.142 67 A CA -0.323 51.681 52.037 -0.054 0.000 0.812 67 A CB 0.739 19.713 19.000 -0.044 0.000 1.074 67 A HN 1.185 nan 8.150 nan 0.000 0.497 68 V N 0.766 120.617 119.914 -0.106 0.000 2.925 68 V HA 0.887 5.007 4.120 -0.000 0.000 0.311 68 V C -0.575 175.475 176.094 -0.073 0.000 1.104 68 V CA -1.164 61.055 62.300 -0.134 0.000 0.954 68 V CB 1.816 33.480 31.823 -0.265 0.000 1.022 68 V HN 1.150 nan 8.190 nan 0.000 0.427 69 R N 1.191 121.653 120.500 -0.064 0.000 2.338 69 R HA 0.794 5.134 4.340 -0.000 0.000 0.317 69 R C -0.766 175.524 176.300 -0.017 0.000 0.968 69 R CA -0.260 55.834 56.100 -0.011 0.000 0.849 69 R CB 1.684 31.968 30.300 -0.025 0.000 1.128 69 R HN 0.720 nan 8.270 nan 0.000 0.448 70 T N 3.213 117.796 114.554 0.048 0.000 2.797 70 T HA 0.396 4.746 4.350 -0.000 0.000 0.279 70 T C -0.618 174.060 174.700 -0.036 0.000 0.991 70 T CA -0.585 61.529 62.100 0.023 0.000 0.979 70 T CB 1.621 70.573 68.868 0.141 0.000 0.943 70 T HN 0.377 nan 8.240 nan 0.000 0.444 71 V N 4.465 124.361 119.914 -0.030 0.000 2.628 71 V HA 0.572 4.692 4.120 -0.000 0.000 0.306 71 V C -0.378 175.701 176.094 -0.026 0.000 1.045 71 V CA -0.875 61.401 62.300 -0.040 0.000 0.905 71 V CB 1.875 33.680 31.823 -0.030 0.000 0.997 71 V HN 0.778 nan 8.190 nan 0.000 0.436 72 I N 2.702 123.251 120.570 -0.036 0.000 2.382 72 I HA 0.380 4.550 4.170 -0.000 0.000 0.286 72 I C 1.407 177.515 176.117 -0.014 0.000 1.002 72 I CA -0.315 60.975 61.300 -0.018 0.000 1.135 72 I CB 1.851 39.836 38.000 -0.025 0.000 1.288 72 I HN 0.748 nan 8.210 nan 0.000 0.448 73 G N 3.645 112.442 108.800 -0.004 0.000 2.422 73 G HA2 -0.050 3.910 3.960 -0.000 0.000 0.218 73 G HA3 -0.050 3.910 3.960 -0.000 0.000 0.218 73 G C 0.554 175.453 174.900 -0.001 0.000 1.140 73 G CA 0.521 45.619 45.100 -0.002 0.000 0.775 73 G HN 0.505 nan 8.290 nan 0.000 0.545 74 S N -1.495 114.207 115.700 0.003 0.000 2.543 74 S HA 0.367 4.837 4.470 -0.000 0.000 0.271 74 S C 0.497 175.103 174.600 0.010 0.000 1.148 74 S CA -0.682 57.522 58.200 0.007 0.000 0.914 74 S CB 1.612 64.818 63.200 0.011 0.000 1.096 74 S HN 0.072 nan 8.310 nan 0.000 0.471 75 L N 1.676 122.905 121.223 0.010 0.000 2.552 75 L HA 0.027 4.367 4.340 -0.000 0.000 0.227 75 L C 1.002 177.888 176.870 0.027 0.000 1.146 75 L CA 0.758 55.608 54.840 0.016 0.000 0.858 75 L CB -0.137 41.931 42.059 0.015 0.000 0.969 75 L HN 0.610 nan 8.230 nan 0.000 0.451 76 D N -0.689 119.726 120.400 0.025 0.000 2.333 76 D HA -0.010 4.630 4.640 -0.000 0.000 0.208 76 D C 0.483 176.803 176.300 0.032 0.000 0.984 76 D CA 0.402 54.420 54.000 0.030 0.000 0.873 76 D CB 0.159 40.973 40.800 0.024 0.000 0.935 76 D HN 0.263 nan 8.370 nan 0.000 0.521 77 D N 0.444 120.862 120.400 0.029 0.000 2.363 77 D HA 0.042 4.682 4.640 -0.000 0.000 0.240 77 D C 0.163 176.487 176.300 0.040 0.000 1.236 77 D CA -0.278 53.740 54.000 0.031 0.000 0.927 77 D CB 1.409 42.226 40.800 0.027 0.000 1.150 77 D HN -0.216 nan 8.370 nan 0.000 0.458 78 V N 0.255 120.194 119.914 0.042 0.000 2.644 78 V HA 0.489 4.609 4.120 -0.000 0.000 0.295 78 V C -0.242 175.881 176.094 0.048 0.000 1.053 78 V CA -0.725 61.605 62.300 0.050 0.000 0.987 78 V CB 1.231 33.084 31.823 0.050 0.000 1.006 78 V HN 0.645 nan 8.190 nan 0.000 0.472 79 A N 5.198 128.049 122.820 0.052 0.000 2.522 79 A HA 0.518 4.838 4.320 -0.000 0.000 0.256 79 A C 1.294 178.907 177.584 0.048 0.000 1.086 79 A CA 0.504 52.572 52.037 0.051 0.000 0.763 79 A CB 0.332 19.360 19.000 0.046 0.000 1.024 79 A HN 1.693 nan 8.150 nan 0.000 0.502 80 A N 2.614 125.469 122.820 0.057 0.000 1.970 80 A HA 0.289 4.609 4.320 -0.000 0.000 0.216 80 A C 0.687 178.303 177.584 0.053 0.000 1.170 80 A CA 1.628 53.699 52.037 0.055 0.000 0.645 80 A CB -0.278 18.760 19.000 0.063 0.000 0.816 80 A HN 0.963 nan 8.150 nan 0.000 0.447 81 D N -4.981 115.460 120.400 0.067 0.000 2.677 81 D HA 0.388 5.028 4.640 -0.000 0.000 0.298 81 D C -2.761 173.553 176.300 0.023 0.000 1.250 81 D CA -1.455 52.569 54.000 0.040 0.000 0.888 81 D CB 0.132 40.989 40.800 0.094 0.000 1.397 81 D HN -0.231 nan 8.370 nan 0.000 0.461 82 P HA -0.114 nan 4.420 nan 0.000 0.218 82 P C 0.793 178.183 177.300 0.150 0.000 1.148 82 P CA 1.326 64.420 63.100 -0.011 0.000 0.822 82 P CB -0.106 31.516 31.700 -0.130 0.000 0.784 83 Y N -0.271 120.155 120.300 0.210 0.000 2.097 83 Y HA -0.213 4.337 4.550 -0.000 0.000 0.282 83 Y C 2.452 178.539 175.900 0.311 0.000 1.152 83 Y CA 1.303 59.564 58.100 0.269 0.000 1.136 83 Y CB -1.579 36.993 38.460 0.187 0.000 0.975 83 Y HN 0.030 nan 8.280 nan 0.000 0.498 84 D N 0.124 120.730 120.400 0.343 0.000 2.106 84 D HA -0.232 4.408 4.640 -0.000 0.000 0.191 84 D C 2.297 178.688 176.300 0.151 0.000 0.997 84 D CA 1.568 55.680 54.000 0.187 0.000 0.834 84 D CB -0.154 40.725 40.800 0.131 0.000 0.956 84 D HN 0.315 nan 8.370 nan 0.000 0.448 85 A N -0.078 122.817 122.820 0.126 0.000 1.873 85 A HA -0.245 4.075 4.320 -0.000 0.000 0.218 85 A C 2.290 179.905 177.584 0.052 0.000 1.193 85 A CA 1.633 53.689 52.037 0.031 0.000 0.629 85 A CB -1.386 17.569 19.000 -0.076 0.000 0.826 85 A HN 0.410 nan 8.150 nan 0.000 0.447 86 Y N -1.093 119.320 120.300 0.187 0.000 2.181 86 Y HA -0.160 4.390 4.550 -0.000 0.000 0.288 86 Y C 2.290 178.472 175.900 0.470 0.000 1.146 86 Y CA 1.671 59.976 58.100 0.342 0.000 1.164 86 Y CB -0.311 38.378 38.460 0.381 0.000 0.982 86 Y HN 0.353 nan 8.280 nan 0.000 0.515 87 L N 0.389 121.844 121.223 0.385 0.000 2.131 87 L HA -0.173 4.167 4.340 -0.000 0.000 0.210 87 L C 2.161 179.031 176.870 -0.000 0.000 1.092 87 L CA 1.584 56.317 54.840 -0.179 0.000 0.759 87 L CB -0.375 41.271 42.059 -0.689 0.000 0.903 87 L HN 0.057 nan 8.230 nan 0.000 0.435 88 R N -0.772 119.762 120.500 0.057 0.000 2.075 88 R HA -0.093 4.247 4.340 -0.000 0.000 0.232 88 R C 2.221 178.579 176.300 0.097 0.000 1.126 88 R CA 1.590 57.723 56.100 0.056 0.000 0.963 88 R CB -0.581 29.751 30.300 0.053 0.000 0.858 88 R HN 0.379 nan 8.270 nan 0.000 0.435 89 L N -0.407 120.884 121.223 0.114 0.000 2.046 89 L HA -0.167 4.173 4.340 -0.000 0.000 0.208 89 L C 2.223 179.167 176.870 0.123 0.000 1.077 89 L CA 1.455 56.345 54.840 0.084 0.000 0.747 89 L CB -0.585 41.457 42.059 -0.027 0.000 0.896 89 L HN 0.222 nan 8.230 nan 0.000 0.432 90 H N -0.207 118.949 119.070 0.143 0.000 2.357 90 H HA -0.107 4.449 4.556 -0.000 0.000 0.301 90 H C 2.301 177.736 175.328 0.178 0.000 1.082 90 H CA 1.273 57.461 56.048 0.233 0.000 1.342 90 H CB -0.194 29.720 29.762 0.252 0.000 1.389 90 H HN 0.137 nan 8.280 nan 0.000 0.511 91 L N -0.207 121.122 121.223 0.176 0.000 2.081 91 L HA -0.229 4.111 4.340 -0.000 0.000 0.212 91 L C 2.121 179.081 176.870 0.151 0.000 1.080 91 L CA 1.119 56.020 54.840 0.102 0.000 0.754 91 L CB -0.431 41.652 42.059 0.039 0.000 0.893 91 L HN 0.284 nan 8.230 nan 0.000 0.433 92 L N -1.363 119.950 121.223 0.150 0.000 2.044 92 L HA -0.155 4.185 4.340 -0.000 0.000 0.205 92 L C 2.655 179.615 176.870 0.150 0.000 1.075 92 L CA 1.085 56.028 54.840 0.171 0.000 0.747 92 L CB -0.346 41.788 42.059 0.124 0.000 0.903 92 L HN 0.138 nan 8.230 nan 0.000 0.435 93 S N -1.797 113.967 115.700 0.107 0.000 2.423 93 S HA -0.126 4.344 4.470 -0.000 0.000 0.231 93 S C 1.621 176.203 174.600 -0.030 0.000 1.014 93 S CA 0.635 58.844 58.200 0.014 0.000 0.965 93 S CB -0.343 62.855 63.200 -0.004 0.000 0.785 93 S HN 0.428 nan 8.310 nan 0.000 0.495 94 H N 0.972 120.051 119.070 0.015 0.000 2.543 94 H HA 0.167 4.723 4.556 -0.000 0.000 0.269 94 H C 0.226 175.534 175.328 -0.033 0.000 1.005 94 H CA 0.265 56.323 56.048 0.017 0.000 1.146 94 H CB 0.107 29.912 29.762 0.072 0.000 1.353 94 H HN 0.257 nan 8.280 nan 0.000 0.595 95 R N -0.245 120.250 120.500 -0.009 0.000 3.610 95 R HA -0.199 4.141 4.340 -0.000 0.000 0.274 95 R C 0.921 177.286 176.300 0.109 0.000 1.123 95 R CA 0.269 56.334 56.100 -0.058 0.000 0.747 95 R CB -2.132 28.011 30.300 -0.261 0.000 1.149 95 R HN 0.340 nan 8.270 nan 0.000 0.471 96 L N -0.680 120.622 121.223 0.133 0.000 2.478 96 L HA 0.082 4.422 4.340 -0.000 0.000 0.223 96 L C 0.345 177.272 176.870 0.095 0.000 1.140 96 L CA 0.465 55.364 54.840 0.098 0.000 0.842 96 L CB 0.348 42.448 42.059 0.068 0.000 0.953 96 L HN 0.038 nan 8.230 nan 0.000 0.452 97 V N -0.963 119.032 119.914 0.136 0.000 2.969 97 V HA 0.547 4.667 4.120 -0.000 0.000 0.304 97 V C -0.308 175.856 176.094 0.116 0.000 1.192 97 V CA -0.957 61.403 62.300 0.099 0.000 0.962 97 V CB 1.873 33.734 31.823 0.063 0.000 1.045 97 V HN 0.025 nan 8.190 nan 0.000 0.428 98 A N 5.056 127.863 122.820 -0.022 0.000 2.286 98 A HA 0.896 5.216 4.320 -0.000 0.000 0.286 98 A C -2.647 174.791 177.584 -0.243 0.000 1.097 98 A CA -1.732 50.128 52.037 -0.296 0.000 0.821 98 A CB 0.326 19.172 19.000 -0.255 0.000 1.076 98 A HN 0.630 nan 8.150 nan 0.000 0.490 99 P HA 0.038 nan 4.420 nan 0.000 0.263 99 P C -0.198 176.945 177.300 -0.262 0.000 1.175 99 P CA 1.053 63.941 63.100 -0.353 0.000 0.761 99 P CB 0.020 31.479 31.700 -0.403 0.000 0.794 100 H N 0.492 119.532 119.070 -0.049 0.000 3.641 100 H HA -0.151 4.405 4.556 -0.000 0.000 0.193 100 H C 1.462 176.777 175.328 -0.020 0.000 1.013 100 H CA 1.433 57.464 56.048 -0.029 0.000 1.212 100 H CB -2.131 27.609 29.762 -0.036 0.000 1.089 100 H HN 0.666 nan 8.280 nan 0.000 0.339 101 G N 0.263 109.086 108.800 0.039 0.000 2.920 101 G HA2 0.346 4.306 3.960 -0.000 0.000 0.208 101 G HA3 0.346 4.306 3.960 -0.000 0.000 0.208 101 G C 0.694 175.615 174.900 0.034 0.000 1.159 101 G CA 0.856 45.974 45.100 0.030 0.000 0.784 101 G HN 0.343 nan 8.290 nan 0.000 0.535 102 L N -4.152 117.095 121.223 0.040 0.000 2.502 102 L HA 0.615 4.955 4.340 -0.000 0.000 0.253 102 L C -1.078 175.832 176.870 0.066 0.000 1.070 102 L CA -1.822 53.045 54.840 0.046 0.000 0.871 102 L CB 0.964 43.045 42.059 0.037 0.000 1.487 102 L HN -0.243 nan 8.230 nan 0.000 0.408 103 N N 0.697 119.437 118.700 0.066 0.000 2.415 103 N HA 0.544 5.283 4.740 -0.000 0.000 0.246 103 N C -0.185 175.383 175.510 0.097 0.000 1.078 103 N CA 0.366 53.465 53.050 0.082 0.000 0.942 103 N CB 1.376 39.903 38.487 0.067 0.000 1.140 103 N HN 0.919 nan 8.380 nan 0.000 0.501 104 A N 2.419 125.315 122.820 0.127 0.000 2.610 104 A HA 0.425 4.745 4.320 -0.000 0.000 0.286 104 A C 0.827 178.545 177.584 0.223 0.000 1.306 104 A CA -0.398 51.747 52.037 0.180 0.000 0.942 104 A CB -0.372 18.757 19.000 0.215 0.000 1.112 104 A HN 0.544 nan 8.150 nan 0.000 0.527 105 G N -2.496 106.402 108.800 0.162 0.000 2.412 105 G HA2 0.499 4.459 3.960 -0.000 0.000 0.318 105 G HA3 0.499 4.459 3.960 -0.000 0.000 0.318 105 G C 1.014 176.001 174.900 0.145 0.000 1.146 105 G CA 0.030 45.225 45.100 0.157 0.000 0.882 105 G HN 1.377 nan 8.290 nan 0.000 0.501 106 G N 0.144 109.040 108.800 0.161 0.000 2.184 106 G HA2 -0.296 3.664 3.960 -0.000 0.000 0.264 106 G HA3 -0.296 3.664 3.960 -0.000 0.000 0.264 106 G C 1.307 176.289 174.900 0.137 0.000 0.975 106 G CA 0.589 45.775 45.100 0.144 0.000 0.642 106 G HN 0.624 nan 8.290 nan 0.000 0.536 107 L N -1.192 120.124 121.223 0.155 0.000 2.131 107 L HA -0.001 4.338 4.340 -0.000 0.000 0.210 107 L C 2.487 179.379 176.870 0.036 0.000 1.092 107 L CA 1.845 56.721 54.840 0.061 0.000 0.759 107 L CB -0.458 41.622 42.059 0.036 0.000 0.903 107 L HN 0.367 nan 8.230 nan 0.000 0.435 108 F N 0.880 120.857 119.950 0.044 0.000 2.102 108 F HA -0.116 4.411 4.527 -0.000 0.000 0.298 108 F C 2.194 177.990 175.800 -0.008 0.000 1.105 108 F CA 1.630 59.657 58.000 0.044 0.000 1.239 108 F CB -0.383 38.707 39.000 0.150 0.000 0.991 108 F HN -0.040 nan 8.300 nan 0.000 0.474 109 G N -1.174 107.663 108.800 0.063 0.000 2.813 109 G HA2 -0.017 3.943 3.960 -0.000 0.000 0.209 109 G HA3 -0.017 3.943 3.960 -0.000 0.000 0.209 109 G C 1.401 176.249 174.900 -0.087 0.000 1.150 109 G CA 0.793 45.872 45.100 -0.035 0.000 0.785 109 G HN 0.349 nan 8.290 nan 0.000 0.535 110 V N 0.214 120.074 119.914 -0.090 0.000 3.263 110 V HA 0.325 4.445 4.120 -0.000 0.000 0.248 110 V C 1.253 177.260 176.094 -0.146 0.000 1.145 110 V CA 0.063 62.310 62.300 -0.088 0.000 1.107 110 V CB 0.039 31.835 31.823 -0.045 0.000 0.797 110 V HN 0.170 nan 8.190 nan 0.000 0.467 111 L N 0.742 121.824 121.223 -0.234 0.000 2.417 111 L HA 0.231 4.571 4.340 -0.000 0.000 0.268 111 L C 0.431 177.147 176.870 -0.258 0.000 1.158 111 L CA 0.237 54.908 54.840 -0.283 0.000 0.819 111 L CB 0.918 42.674 42.059 -0.506 0.000 1.112 111 L HN 0.143 nan 8.230 nan 0.000 0.458 112 T N 1.585 116.033 114.554 -0.176 0.000 2.856 112 T HA 0.108 4.458 4.350 -0.000 0.000 0.292 112 T C 0.152 174.746 174.700 -0.176 0.000 0.980 112 T CA -0.528 61.472 62.100 -0.167 0.000 1.091 112 T CB 0.711 69.498 68.868 -0.135 0.000 0.936 112 T HN 0.385 nan 8.240 nan 0.000 0.503 113 N N 2.391 120.981 118.700 -0.184 0.000 2.475 113 N HA 0.205 4.945 4.740 -0.000 0.000 0.267 113 N C -1.039 174.343 175.510 -0.213 0.000 1.169 113 N CA 0.022 52.978 53.050 -0.157 0.000 0.947 113 N CB 0.332 38.742 38.487 -0.129 0.000 1.061 113 N HN 0.312 nan 8.380 nan 0.000 0.466 114 V N 3.354 123.095 119.914 -0.288 0.000 2.735 114 V HA 0.350 4.470 4.120 -0.000 0.000 0.310 114 V C -0.231 175.404 176.094 -0.766 0.000 1.061 114 V CA -0.981 60.940 62.300 -0.632 0.000 0.913 114 V CB 2.104 33.275 31.823 -1.087 0.000 1.005 114 V HN 0.330 nan 8.190 nan 0.000 0.428 115 V N 3.169 122.660 119.914 -0.704 0.000 2.368 115 V HA 0.250 4.370 4.120 -0.000 0.000 0.266 115 V C -0.734 175.021 176.094 -0.565 0.000 1.045 115 V CA -0.400 61.517 62.300 -0.638 0.000 0.899 115 V CB 0.364 31.618 31.823 -0.948 0.000 1.006 115 V HN 0.867 nan 8.190 nan 0.000 0.470 116 W N 4.069 125.328 121.300 -0.067 0.000 2.332 116 W HA 0.561 5.221 4.660 -0.000 0.000 0.306 116 W C 0.817 177.343 176.519 0.013 0.000 1.149 116 W CA -0.408 56.973 57.345 0.060 0.000 1.271 116 W CB 1.098 30.666 29.460 0.179 0.000 1.243 116 W HN 0.633 nan 8.180 nan 0.000 0.459 117 T N -1.002 113.666 114.554 0.191 0.000 2.910 117 T HA 0.218 4.568 4.350 -0.000 0.000 0.287 117 T C 0.975 175.678 174.700 0.005 0.000 1.050 117 T CA -0.901 61.192 62.100 -0.012 0.000 1.011 117 T CB 1.374 70.318 68.868 0.127 0.000 1.195 117 T HN 0.437 nan 8.240 nan 0.000 0.540 118 N N -0.182 118.409 118.700 -0.181 0.000 2.550 118 N HA -0.108 4.632 4.740 -0.000 0.000 0.186 118 N C 0.830 176.292 175.510 -0.080 0.000 1.110 118 N CA 0.717 53.748 53.050 -0.032 0.000 0.912 118 N CB -0.668 37.754 38.487 -0.109 0.000 0.968 118 N HN 0.749 nan 8.380 nan 0.000 0.448 119 H N -0.323 118.777 119.070 0.050 0.000 2.517 119 H HA 0.319 4.875 4.556 -0.000 0.000 0.282 119 H C 1.000 176.370 175.328 0.070 0.000 1.023 119 H CA 0.455 56.535 56.048 0.053 0.000 1.169 119 H CB 0.330 30.116 29.762 0.040 0.000 1.454 119 H HN 0.426 nan 8.280 nan 0.000 0.556 120 G N 1.994 110.903 108.800 0.183 0.000 2.631 120 G HA2 -0.186 3.774 3.960 -0.000 0.000 0.504 120 G HA3 -0.186 3.774 3.960 -0.000 0.000 0.504 120 G C -2.907 172.101 174.900 0.181 0.000 1.306 120 G CA -1.133 44.072 45.100 0.175 0.000 0.897 120 G HN -0.012 nan 8.290 nan 0.000 0.520 121 P HA 0.475 nan 4.420 nan 0.000 0.271 121 P C -0.158 177.076 177.300 -0.110 0.000 1.216 121 P CA -0.038 63.041 63.100 -0.035 0.000 0.771 121 P CB 0.907 32.576 31.700 -0.052 0.000 0.864 122 C N 2.326 121.490 119.300 -0.226 0.000 2.802 122 C HA 0.717 5.177 4.460 -0.000 0.000 0.307 122 C C 0.650 175.512 174.990 -0.213 0.000 1.222 122 C CA -0.457 58.490 59.018 -0.119 0.000 1.580 122 C CB 1.731 29.516 27.740 0.076 0.000 2.119 122 C HN 0.663 nan 8.230 nan 0.000 0.479 123 A N 2.387 125.146 122.820 -0.101 0.000 2.407 123 A HA 0.477 4.796 4.320 -0.000 0.000 0.248 123 A C 1.261 178.795 177.584 -0.082 0.000 1.082 123 A CA -0.172 51.797 52.037 -0.113 0.000 0.785 123 A CB 0.137 19.100 19.000 -0.063 0.000 1.020 123 A HN 0.759 nan 8.150 nan 0.000 0.489 124 I N 0.783 121.283 120.570 -0.117 0.000 2.091 124 I HA -0.156 4.014 4.170 -0.000 0.000 0.239 124 I C 0.784 176.912 176.117 0.018 0.000 1.061 124 I CA 1.202 62.458 61.300 -0.073 0.000 1.317 124 I CB -1.459 36.494 38.000 -0.078 0.000 1.031 124 I HN 0.549 nan 8.210 nan 0.000 0.401 125 D N 1.402 121.801 120.400 -0.001 0.000 2.487 125 D HA 0.162 4.802 4.640 -0.000 0.000 0.243 125 D C 1.239 177.561 176.300 0.036 0.000 1.154 125 D CA 1.294 55.302 54.000 0.013 0.000 0.876 125 D CB 0.639 41.434 40.800 -0.008 0.000 1.161 125 D HN 0.517 nan 8.370 nan 0.000 0.478 126 G N 3.082 111.903 108.800 0.036 0.000 2.203 126 G HA2 -0.371 3.589 3.960 -0.000 0.000 0.263 126 G HA3 -0.371 3.589 3.960 -0.000 0.000 0.263 126 G C 0.761 175.677 174.900 0.028 0.000 1.012 126 G CA 0.476 45.587 45.100 0.018 0.000 0.749 126 G HN 0.587 nan 8.290 nan 0.000 0.512 127 F N 0.782 120.701 119.950 -0.052 0.000 2.126 127 F HA -0.075 4.452 4.527 -0.000 0.000 0.299 127 F C 2.435 178.203 175.800 -0.053 0.000 1.096 127 F CA 2.153 60.118 58.000 -0.058 0.000 1.255 127 F CB 0.190 39.154 39.000 -0.060 0.000 0.997 127 F HN 0.271 nan 8.300 nan 0.000 0.479 128 E N 0.697 120.775 120.200 -0.202 0.000 2.072 128 E HA -0.178 4.172 4.350 -0.000 0.000 0.191 128 E C 2.441 178.874 176.600 -0.278 0.000 0.985 128 E CA 1.073 57.312 56.400 -0.269 0.000 0.801 128 E CB -0.919 28.732 29.700 -0.082 0.000 0.750 128 E HN 0.513 nan 8.360 nan 0.000 0.452 129 A N 1.344 124.051 122.820 -0.188 0.000 1.883 129 A HA -0.160 4.160 4.320 -0.000 0.000 0.217 129 A C 2.658 180.110 177.584 -0.220 0.000 1.186 129 A CA 1.655 53.595 52.037 -0.162 0.000 0.624 129 A CB -0.824 18.117 19.000 -0.099 0.000 0.822 129 A HN 0.137 nan 8.150 nan 0.000 0.444 130 V N 0.207 119.959 119.914 -0.270 0.000 2.295 130 V HA -0.270 3.850 4.120 -0.000 0.000 0.246 130 V C 2.681 178.507 176.094 -0.446 0.000 1.049 130 V CA 2.292 64.418 62.300 -0.289 0.000 1.024 130 V CB -0.808 30.913 31.823 -0.170 0.000 0.648 130 V HN 0.688 nan 8.190 nan 0.000 0.447 131 R N 0.377 120.394 120.500 -0.805 0.000 2.096 131 R HA -0.230 4.110 4.340 -0.000 0.000 0.240 131 R C 2.225 178.297 176.300 -0.380 0.000 1.139 131 R CA 2.085 57.757 56.100 -0.714 0.000 0.952 131 R CB -0.499 29.285 30.300 -0.860 0.000 0.854 131 R HN 0.483 nan 8.270 nan 0.000 0.436 132 A N 0.901 123.537 122.820 -0.305 0.000 1.969 132 A HA -0.102 4.218 4.320 -0.000 0.000 0.218 132 A C 2.193 179.677 177.584 -0.167 0.000 1.169 132 A CA 1.039 52.960 52.037 -0.194 0.000 0.635 132 A CB -0.388 18.521 19.000 -0.152 0.000 0.810 132 A HN 0.350 nan 8.150 nan 0.000 0.445 133 R N -0.712 119.678 120.500 -0.184 0.000 2.066 133 R HA -0.021 4.319 4.340 -0.000 0.000 0.232 133 R C 1.974 178.170 176.300 -0.173 0.000 1.131 133 R CA 1.422 57.432 56.100 -0.151 0.000 0.955 133 R CB -0.464 29.754 30.300 -0.137 0.000 0.851 133 R HN 0.515 nan 8.270 nan 0.000 0.432 134 L N 0.080 121.149 121.223 -0.257 0.000 2.141 134 L HA -0.119 4.221 4.340 -0.000 0.000 0.209 134 L C 2.376 179.065 176.870 -0.301 0.000 1.094 134 L CA 1.050 55.658 54.840 -0.386 0.000 0.763 134 L CB -0.279 41.398 42.059 -0.637 0.000 0.908 134 L HN 0.116 nan 8.230 nan 0.000 0.437 135 R N -0.078 120.304 120.500 -0.197 0.000 2.303 135 R HA -0.161 4.179 4.340 -0.000 0.000 0.225 135 R C 2.147 178.415 176.300 -0.054 0.000 1.114 135 R CA 0.842 56.885 56.100 -0.095 0.000 1.007 135 R CB -0.155 30.097 30.300 -0.080 0.000 0.861 135 R HN 0.300 nan 8.270 nan 0.000 0.471 136 R N -0.383 120.076 120.500 -0.068 0.000 2.193 136 R HA 0.006 4.346 4.340 -0.000 0.000 0.213 136 R C 1.961 178.257 176.300 -0.006 0.000 1.055 136 R CA 0.873 56.952 56.100 -0.036 0.000 0.995 136 R CB 0.040 30.314 30.300 -0.043 0.000 0.893 136 R HN 0.135 nan 8.270 nan 0.000 0.459 137 R N -0.744 119.761 120.500 0.008 0.000 2.066 137 R HA 0.207 4.547 4.340 -0.000 0.000 0.224 137 R C 0.727 177.095 176.300 0.114 0.000 1.122 137 R CA 1.002 57.153 56.100 0.085 0.000 0.974 137 R CB 0.246 30.655 30.300 0.182 0.000 0.871 137 R HN 0.287 nan 8.270 nan 0.000 0.435 138 G N -0.630 108.255 108.800 0.142 0.000 2.315 138 G HA2 0.155 4.115 3.960 -0.000 0.000 0.294 138 G HA3 0.155 4.115 3.960 -0.000 0.000 0.294 138 G C -3.003 171.991 174.900 0.157 0.000 1.300 138 G CA -1.251 43.919 45.100 0.117 0.000 0.843 138 G HN -0.227 nan 8.290 nan 0.000 0.527 139 P HA 0.298 nan 4.420 nan 0.000 0.264 139 P C -0.281 177.114 177.300 0.158 0.000 1.179 139 P CA -0.118 63.036 63.100 0.089 0.000 0.763 139 P CB 0.822 32.555 31.700 0.055 0.000 0.806 140 V N 3.892 123.867 119.914 0.103 0.000 2.357 140 V HA 0.287 4.407 4.120 -0.000 0.000 0.284 140 V C 0.128 176.268 176.094 0.076 0.000 1.018 140 V CA -0.132 62.248 62.300 0.132 0.000 0.841 140 V CB 1.468 33.310 31.823 0.030 0.000 0.991 140 V HN 0.490 nan 8.190 nan 0.000 0.437 141 T N 4.562 119.128 114.554 0.020 0.000 2.797 141 T HA 0.545 4.895 4.350 -0.000 0.000 0.279 141 T C -0.320 174.236 174.700 -0.240 0.000 0.991 141 T CA -0.398 61.640 62.100 -0.102 0.000 0.979 141 T CB 1.750 70.525 68.868 -0.156 0.000 0.943 141 T HN 0.289 nan 8.240 nan 0.000 0.444 142 V N 4.671 124.505 119.914 -0.134 0.000 2.328 142 V HA 0.242 4.362 4.120 -0.000 0.000 0.278 142 V C 0.026 176.091 176.094 -0.049 0.000 1.021 142 V CA -0.516 61.715 62.300 -0.115 0.000 0.838 142 V CB 0.615 32.424 31.823 -0.023 0.000 0.999 142 V HN 0.961 nan 8.190 nan 0.000 0.447 143 Y N 3.555 123.937 120.300 0.137 0.000 2.206 143 Y HA 0.325 4.875 4.550 -0.000 0.000 0.292 143 Y C 1.560 177.542 175.900 0.137 0.000 1.123 143 Y CA 0.714 58.889 58.100 0.125 0.000 1.142 143 Y CB 0.330 38.866 38.460 0.126 0.000 1.006 143 Y HN 0.669 nan 8.280 nan 0.000 0.518 144 G N -1.030 107.994 108.800 0.373 0.000 2.660 144 G HA2 0.509 4.469 3.960 -0.000 0.000 0.290 144 G HA3 0.509 4.469 3.960 -0.000 0.000 0.290 144 G C -2.147 172.953 174.900 0.333 0.000 1.432 144 G CA -0.576 44.719 45.100 0.325 0.000 0.807 144 G HN -0.247 nan 8.290 nan 0.000 0.485 145 V N 1.594 121.648 119.914 0.234 0.000 2.398 145 V HA 0.628 4.748 4.120 -0.000 0.000 0.282 145 V C -1.007 175.200 176.094 0.189 0.000 1.014 145 V CA -0.446 61.921 62.300 0.112 0.000 0.838 145 V CB 1.009 32.832 31.823 -0.001 0.000 1.018 145 V HN 0.826 nan 8.190 nan 0.000 0.432 146 D N 2.273 122.849 120.400 0.293 0.000 2.692 146 D HA 0.353 4.993 4.640 -0.000 0.000 0.290 146 D C 0.371 176.885 176.300 0.356 0.000 1.281 146 D CA -0.602 53.606 54.000 0.347 0.000 0.804 146 D CB 2.094 43.148 40.800 0.423 0.000 1.331 146 D HN 0.203 nan 8.370 nan 0.000 0.432 147 K N 0.018 120.549 120.400 0.217 0.000 2.361 147 K HA 0.160 4.480 4.320 -0.000 0.000 0.196 147 K C -0.021 176.420 176.600 -0.265 0.000 1.039 147 K CA 0.492 56.721 56.287 -0.097 0.000 1.001 147 K CB 0.512 32.773 32.500 -0.398 0.000 0.795 147 K HN 0.173 nan 8.250 nan 0.000 0.495 148 F N 1.952 122.012 119.950 0.183 0.000 2.507 148 F HA 0.339 4.866 4.527 -0.000 0.000 0.325 148 F C -2.061 173.658 175.800 -0.135 0.000 1.116 148 F CA -2.883 55.122 58.000 0.007 0.000 0.930 148 F CB 1.387 40.353 39.000 -0.057 0.000 1.146 148 F HN -0.144 nan 8.300 nan 0.000 0.447 149 P HA 0.397 nan 4.420 nan 0.000 0.306 149 P C -1.126 176.003 177.300 -0.285 0.000 1.309 149 P CA -0.827 61.805 63.100 -0.779 0.000 0.759 149 P CB 0.959 32.059 31.700 -0.999 0.000 1.314 150 R N 0.070 120.437 120.500 -0.221 0.000 2.207 150 R HA 0.337 4.677 4.340 -0.000 0.000 0.334 150 R C 1.591 177.900 176.300 0.015 0.000 1.013 150 R CA -0.450 55.591 56.100 -0.099 0.000 0.858 150 R CB 0.507 30.718 30.300 -0.148 0.000 1.094 150 R HN 0.476 nan 8.270 nan 0.000 0.457 151 M N 3.281 122.874 119.600 -0.013 0.000 2.147 151 M HA -0.275 4.205 4.480 -0.000 0.000 0.253 151 M C 1.728 178.060 176.300 0.053 0.000 1.075 151 M CA 2.511 57.817 55.300 0.010 0.000 1.085 151 M CB -0.083 32.485 32.600 -0.053 0.000 1.305 151 M HN 0.596 nan 8.290 nan 0.000 0.409 152 V N -2.320 117.579 119.914 -0.025 0.000 2.867 152 V HA -0.192 3.928 4.120 -0.000 0.000 0.260 152 V C 1.113 177.145 176.094 -0.103 0.000 1.099 152 V CA 2.081 64.344 62.300 -0.062 0.000 1.122 152 V CB -1.222 30.544 31.823 -0.094 0.000 0.708 152 V HN 0.394 nan 8.190 nan 0.000 0.490 153 D N -1.021 119.307 120.400 -0.121 0.000 2.363 153 D HA 0.056 4.696 4.640 -0.000 0.000 0.226 153 D C 1.370 177.267 176.300 -0.672 0.000 1.020 153 D CA 1.050 54.836 54.000 -0.356 0.000 0.892 153 D CB 0.093 40.663 40.800 -0.383 0.000 0.900 153 D HN 0.717 nan 8.370 nan 0.000 0.531 154 Y N -1.113 119.114 120.300 -0.122 0.000 2.701 154 Y HA 0.241 4.791 4.550 -0.000 0.000 0.275 154 Y C 0.623 176.641 175.900 0.197 0.000 1.133 154 Y CA -0.301 57.814 58.100 0.025 0.000 1.241 154 Y CB 1.214 39.776 38.460 0.170 0.000 1.389 154 Y HN -0.238 nan 8.280 nan 0.000 0.486 155 V N 0.503 120.542 119.914 0.208 0.000 3.012 155 V HA 0.618 4.738 4.120 -0.000 0.000 0.307 155 V C -1.735 174.339 176.094 -0.033 0.000 1.166 155 V CA -0.899 61.450 62.300 0.080 0.000 0.974 155 V CB 2.321 34.066 31.823 -0.129 0.000 1.040 155 V HN -0.224 nan 8.190 nan 0.000 0.428 156 V N 7.432 127.315 119.914 -0.052 0.000 2.284 156 V HA 0.438 4.558 4.120 -0.000 0.000 0.274 156 V C -2.174 173.866 176.094 -0.090 0.000 1.023 156 V CA -1.413 60.845 62.300 -0.070 0.000 0.808 156 V CB 1.069 32.860 31.823 -0.052 0.000 1.035 156 V HN 0.896 nan 8.190 nan 0.000 0.445 157 P HA 0.157 nan 4.420 nan 0.000 0.267 157 P C 0.467 177.717 177.300 -0.082 0.000 1.200 157 P CA 0.113 63.139 63.100 -0.124 0.000 0.772 157 P CB 0.274 31.888 31.700 -0.143 0.000 0.855 158 T N -1.300 113.215 114.554 -0.065 0.000 2.900 158 T HA 0.362 4.712 4.350 -0.000 0.000 0.307 158 T C 1.213 175.885 174.700 -0.048 0.000 1.065 158 T CA 0.188 62.261 62.100 -0.044 0.000 1.105 158 T CB 0.163 69.014 68.868 -0.028 0.000 0.979 158 T HN 0.870 nan 8.240 nan 0.000 0.544 159 G N 0.493 109.271 108.800 -0.037 0.000 2.162 159 G HA2 -0.174 3.786 3.960 -0.000 0.000 0.260 159 G HA3 -0.174 3.786 3.960 -0.000 0.000 0.260 159 G C 0.014 174.890 174.900 -0.040 0.000 0.976 159 G CA 0.067 45.146 45.100 -0.034 0.000 0.655 159 G HN 1.143 nan 8.290 nan 0.000 0.533 160 V N 0.239 120.124 119.914 -0.049 0.000 2.680 160 V HA 0.729 4.849 4.120 -0.000 0.000 0.309 160 V C 0.315 176.377 176.094 -0.053 0.000 1.052 160 V CA -0.947 61.319 62.300 -0.055 0.000 0.908 160 V CB 1.916 33.696 31.823 -0.073 0.000 1.001 160 V HN 0.332 nan 8.190 nan 0.000 0.431 161 R N 3.860 124.329 120.500 -0.053 0.000 2.534 161 R HA 0.730 5.070 4.340 -0.000 0.000 0.301 161 R C -1.394 174.864 176.300 -0.070 0.000 0.961 161 R CA -0.584 55.483 56.100 -0.055 0.000 0.871 161 R CB 2.098 32.372 30.300 -0.043 0.000 1.170 161 R HN 0.605 nan 8.270 nan 0.000 0.446 162 I N 2.434 122.953 120.570 -0.085 0.000 2.448 162 I HA 0.223 4.393 4.170 -0.000 0.000 0.281 162 I C 0.865 176.893 176.117 -0.147 0.000 1.027 162 I CA -0.265 60.971 61.300 -0.107 0.000 1.111 162 I CB 1.980 39.919 38.000 -0.101 0.000 1.236 162 I HN 0.771 nan 8.210 nan 0.000 0.452 163 A N 3.821 126.512 122.820 -0.215 0.000 1.930 163 A HA -0.113 4.207 4.320 -0.000 0.000 0.217 163 A C 0.843 178.182 177.584 -0.407 0.000 1.175 163 A CA 1.565 53.372 52.037 -0.384 0.000 0.627 163 A CB -0.110 18.472 19.000 -0.696 0.000 0.815 163 A HN 0.698 nan 8.150 nan 0.000 0.443 164 D N -2.002 118.214 120.400 -0.306 0.000 2.358 164 D HA 0.553 5.193 4.640 -0.000 0.000 0.253 164 D C 0.400 176.639 176.300 -0.100 0.000 1.288 164 D CA 0.214 54.110 54.000 -0.173 0.000 0.950 164 D CB 1.081 41.812 40.800 -0.115 0.000 1.197 164 D HN 0.067 nan 8.370 nan 0.000 0.550 165 A N 3.186 125.947 122.820 -0.098 0.000 2.216 165 A HA -0.079 4.241 4.320 -0.000 0.000 0.214 165 A C 1.471 179.012 177.584 -0.070 0.000 1.160 165 A CA 0.664 52.647 52.037 -0.091 0.000 0.725 165 A CB -0.059 18.876 19.000 -0.108 0.000 0.784 165 A HN 0.497 nan 8.150 nan 0.000 0.472 166 D N 0.079 120.449 120.400 -0.051 0.000 2.263 166 D HA -0.100 4.540 4.640 -0.000 0.000 0.208 166 D C 1.557 177.888 176.300 0.051 0.000 0.971 166 D CA 0.743 54.734 54.000 -0.014 0.000 0.867 166 D CB -0.083 40.723 40.800 0.011 0.000 0.929 166 D HN 0.351 nan 8.370 nan 0.000 0.492 167 R N 0.114 120.651 120.500 0.061 0.000 2.334 167 R HA 0.170 4.510 4.340 -0.000 0.000 0.216 167 R C -0.119 176.242 176.300 0.101 0.000 0.905 167 R CA 0.009 56.223 56.100 0.189 0.000 1.064 167 R CB 1.081 31.483 30.300 0.170 0.000 1.046 167 R HN 0.004 nan 8.270 nan 0.000 0.508 168 V N 1.987 121.888 119.914 -0.022 0.000 2.407 168 V HA 0.332 4.452 4.120 -0.000 0.000 0.291 168 V C 0.327 176.363 176.094 -0.097 0.000 1.018 168 V CA -0.852 61.367 62.300 -0.136 0.000 0.842 168 V CB 2.253 33.998 31.823 -0.130 0.000 0.996 168 V HN 0.042 nan 8.190 nan 0.000 0.426 169 R N 2.601 123.022 120.500 -0.132 0.000 2.441 169 R HA 0.384 4.724 4.340 -0.000 0.000 0.284 169 R C -0.302 175.958 176.300 -0.067 0.000 1.070 169 R CA -0.842 55.221 56.100 -0.062 0.000 1.047 169 R CB 0.966 31.235 30.300 -0.051 0.000 1.016 169 R HN 0.574 nan 8.270 nan 0.000 0.477 170 L N 2.527 123.713 121.223 -0.063 0.000 2.640 170 L HA 0.005 4.345 4.340 -0.000 0.000 0.280 170 L C 1.081 177.924 176.870 -0.046 0.000 1.229 170 L CA 2.108 56.882 54.840 -0.111 0.000 0.919 170 L CB 0.314 42.214 42.059 -0.266 0.000 1.168 170 L HN 0.951 nan 8.230 nan 0.000 0.496 171 G N 2.739 111.520 108.800 -0.032 0.000 2.184 171 G HA2 -0.097 3.863 3.960 -0.000 0.000 0.206 171 G HA3 -0.097 3.863 3.960 -0.000 0.000 0.206 171 G C 0.324 175.246 174.900 0.036 0.000 0.995 171 G CA 0.057 45.184 45.100 0.045 0.000 0.651 171 G HN 1.256 nan 8.290 nan 0.000 0.511 172 A N 0.844 123.649 122.820 -0.026 0.000 2.401 172 A HA 0.593 4.913 4.320 -0.000 0.000 0.259 172 A C 0.070 177.653 177.584 -0.002 0.000 1.103 172 A CA 0.008 52.011 52.037 -0.057 0.000 0.789 172 A CB 0.266 19.184 19.000 -0.136 0.000 1.035 172 A HN 0.757 nan 8.150 nan 0.000 0.491 173 H N 3.554 122.570 119.070 -0.091 0.000 2.595 173 H HA 0.492 5.048 4.556 -0.000 0.000 0.313 173 H C -1.633 173.652 175.328 -0.072 0.000 1.023 173 H CA -0.434 55.574 56.048 -0.066 0.000 1.218 173 H CB 0.590 30.315 29.762 -0.061 0.000 1.403 173 H HN 0.548 nan 8.280 nan 0.000 0.477 174 L N 5.374 126.492 121.223 -0.174 0.000 2.337 174 L HA 0.428 4.768 4.340 -0.000 0.000 0.269 174 L C 0.714 177.499 176.870 -0.142 0.000 1.018 174 L CA -0.829 53.950 54.840 -0.102 0.000 0.876 174 L CB 1.217 43.217 42.059 -0.099 0.000 1.236 174 L HN 0.567 nan 8.230 nan 0.000 0.436 175 A N 4.572 127.358 122.820 -0.057 0.000 2.492 175 A HA 0.367 4.687 4.320 -0.000 0.000 0.236 175 A C -2.216 175.339 177.584 -0.050 0.000 1.078 175 A CA -0.788 51.222 52.037 -0.045 0.000 0.773 175 A CB -0.491 18.539 19.000 0.050 0.000 1.023 175 A HN 0.430 nan 8.150 nan 0.000 0.504 176 P HA 0.205 nan 4.420 nan 0.000 0.260 176 P C 0.870 178.156 177.300 -0.023 0.000 1.172 176 P CA 2.067 65.146 63.100 -0.035 0.000 0.760 176 P CB 0.343 32.029 31.700 -0.024 0.000 0.773 177 G N 1.403 110.188 108.800 -0.026 0.000 2.163 177 G HA2 -0.179 3.781 3.960 -0.000 0.000 0.213 177 G HA3 -0.179 3.781 3.960 -0.000 0.000 0.213 177 G C 0.234 175.122 174.900 -0.020 0.000 0.991 177 G CA -0.277 44.812 45.100 -0.019 0.000 0.653 177 G HN 0.565 nan 8.290 nan 0.000 0.518 178 T N 1.646 116.184 114.554 -0.028 0.000 2.897 178 T HA 0.565 4.915 4.350 -0.000 0.000 0.294 178 T C 0.086 174.764 174.700 -0.035 0.000 1.004 178 T CA 0.724 62.806 62.100 -0.030 0.000 1.106 178 T CB 1.446 70.293 68.868 -0.035 0.000 0.949 178 T HN 0.176 nan 8.240 nan 0.000 0.520 179 T N 3.024 117.559 114.554 -0.032 0.000 2.864 179 T HA 0.395 4.745 4.350 -0.000 0.000 0.299 179 T C -0.283 174.395 174.700 -0.037 0.000 1.011 179 T CA -0.521 61.559 62.100 -0.034 0.000 0.975 179 T CB 0.845 69.700 68.868 -0.021 0.000 0.962 179 T HN 0.329 nan 8.240 nan 0.000 0.448 180 V N 5.660 125.542 119.914 -0.054 0.000 2.368 180 V HA 0.350 4.470 4.120 -0.000 0.000 0.266 180 V C 0.471 176.528 176.094 -0.061 0.000 1.045 180 V CA -0.721 61.546 62.300 -0.055 0.000 0.899 180 V CB 0.644 32.422 31.823 -0.074 0.000 1.006 180 V HN 0.774 nan 8.190 nan 0.000 0.470 181 M N 2.595 122.181 119.600 -0.025 0.000 2.114 181 M HA 0.327 4.807 4.480 -0.000 0.000 0.280 181 M C 1.572 177.865 176.300 -0.010 0.000 1.209 181 M CA -0.072 55.227 55.300 -0.003 0.000 1.044 181 M CB 0.059 32.704 32.600 0.076 0.000 1.404 181 M HN 0.680 nan 8.290 nan 0.000 0.499 182 H N 0.023 119.100 119.070 0.011 0.000 2.353 182 H HA -0.185 4.371 4.556 -0.000 0.000 0.298 182 H C 1.517 176.863 175.328 0.030 0.000 1.103 182 H CA 2.264 58.322 56.048 0.017 0.000 1.293 182 H CB 0.009 29.779 29.762 0.013 0.000 1.372 182 H HN 0.562 nan 8.280 nan 0.000 0.501 183 E N 0.993 121.290 120.200 0.161 0.000 2.371 183 E HA 0.057 4.407 4.350 -0.000 0.000 0.194 183 E C 0.984 177.642 176.600 0.097 0.000 1.012 183 E CA 0.345 56.808 56.400 0.106 0.000 0.860 183 E CB -0.137 29.610 29.700 0.079 0.000 0.811 183 E HN 0.449 nan 8.360 nan 0.000 0.502 184 G N 0.157 109.006 108.800 0.083 0.000 2.544 184 G HA2 0.273 4.233 3.960 -0.000 0.000 0.242 184 G HA3 0.273 4.233 3.960 -0.000 0.000 0.242 184 G C -0.912 174.077 174.900 0.149 0.000 1.247 184 G CA -0.174 44.972 45.100 0.077 0.000 0.840 184 G HN 0.183 nan 8.290 nan 0.000 0.578 185 F N 1.438 121.372 119.950 -0.027 0.000 2.596 185 F HA 0.572 5.099 4.527 -0.000 0.000 0.311 185 F C -1.201 174.573 175.800 -0.044 0.000 1.116 185 F CA -1.056 56.924 58.000 -0.033 0.000 0.957 185 F CB 2.020 41.005 39.000 -0.026 0.000 1.250 185 F HN 0.425 nan 8.300 nan 0.000 0.444 186 V N 5.823 125.083 119.914 -1.089 0.000 2.483 186 V HA 0.388 4.508 4.120 -0.000 0.000 0.297 186 V C -0.301 175.119 176.094 -1.124 0.000 1.027 186 V CA -0.841 60.918 62.300 -0.901 0.000 0.855 186 V CB 1.367 32.944 31.823 -0.409 0.000 0.995 186 V HN 0.845 nan 8.190 nan 0.000 0.424 187 N N 2.011 120.179 118.700 -0.886 0.000 2.364 187 N HA 0.309 5.049 4.740 -0.000 0.000 0.264 187 N C -0.358 174.957 175.510 -0.325 0.000 1.263 187 N CA -0.363 52.375 53.050 -0.520 0.000 0.959 187 N CB 0.845 39.172 38.487 -0.267 0.000 1.204 187 N HN 0.660 nan 8.380 nan 0.000 0.550 188 Y N -0.022 120.089 120.300 -0.316 0.000 2.296 188 Y HA 0.173 4.723 4.550 -0.000 0.000 0.343 188 Y C 0.828 176.619 175.900 -0.182 0.000 1.292 188 Y CA -0.889 57.068 58.100 -0.238 0.000 1.490 188 Y CB -0.131 38.179 38.460 -0.251 0.000 1.359 188 Y HN 0.693 nan 8.280 nan 0.000 0.599 189 N N -0.052 118.620 118.700 -0.048 0.000 2.699 189 N HA -0.166 4.574 4.740 -0.000 0.000 0.256 189 N C -1.356 173.960 175.510 -0.323 0.000 0.993 189 N CA 1.018 53.955 53.050 -0.189 0.000 0.759 189 N CB -1.192 37.174 38.487 -0.200 0.000 0.906 189 N HN 1.213 nan 8.380 nan 0.000 0.541 190 A N -1.535 121.145 122.820 -0.233 0.000 2.564 190 A HA 0.894 5.214 4.320 -0.000 0.000 0.291 190 A C 0.641 178.141 177.584 -0.140 0.000 1.102 190 A CA 0.274 52.178 52.037 -0.220 0.000 0.660 190 A CB 0.888 19.734 19.000 -0.257 0.000 1.283 190 A HN 1.377 nan 8.150 nan 0.000 0.430 191 G N -1.129 107.600 108.800 -0.118 0.000 2.265 191 G HA2 0.573 4.533 3.960 -0.000 0.000 0.246 191 G HA3 0.573 4.533 3.960 -0.000 0.000 0.246 191 G C -0.147 174.739 174.900 -0.023 0.000 1.299 191 G CA 0.635 45.700 45.100 -0.060 0.000 1.117 191 G HN 2.499 nan 8.290 nan 0.000 0.485 192 T N -1.140 113.443 114.554 0.048 0.000 2.885 192 T HA 0.725 5.075 4.350 -0.000 0.000 0.285 192 T C 1.012 175.786 174.700 0.122 0.000 1.019 192 T CA -0.440 61.688 62.100 0.048 0.000 1.010 192 T CB 1.861 70.741 68.868 0.021 0.000 1.022 192 T HN 0.759 nan 8.240 nan 0.000 0.466 193 L N 1.113 122.371 121.223 0.059 0.000 2.556 193 L HA 0.446 4.786 4.340 -0.000 0.000 0.226 193 L C 1.403 178.313 176.870 0.066 0.000 1.089 193 L CA 0.113 54.998 54.840 0.074 0.000 0.864 193 L CB -0.077 41.989 42.059 0.012 0.000 1.067 193 L HN 0.983 nan 8.230 nan 0.000 0.477 194 G N -0.692 108.131 108.800 0.039 0.000 3.107 194 G HA2 0.585 4.545 3.960 -0.000 0.000 0.233 194 G HA3 0.585 4.545 3.960 -0.000 0.000 0.233 194 G C -1.289 173.618 174.900 0.011 0.000 1.168 194 G CA 0.081 45.195 45.100 0.024 0.000 0.801 194 G HN -0.044 nan 8.290 nan 0.000 0.605 195 A N 0.356 123.178 122.820 0.004 0.000 2.437 195 A HA 0.660 4.980 4.320 -0.000 0.000 0.303 195 A C 0.116 177.698 177.584 -0.004 0.000 1.324 195 A CA 0.039 52.075 52.037 -0.003 0.000 0.983 195 A CB -0.365 18.633 19.000 -0.003 0.000 1.142 195 A HN 0.660 nan 8.150 nan 0.000 0.541 196 S N 1.684 117.380 115.700 -0.007 0.000 2.536 196 S HA 0.638 5.108 4.470 -0.000 0.000 0.298 196 S C -0.421 174.171 174.600 -0.012 0.000 1.083 196 S CA -0.546 57.648 58.200 -0.009 0.000 0.995 196 S CB 1.497 64.690 63.200 -0.011 0.000 1.058 196 S HN 0.775 nan 8.310 nan 0.000 0.488 197 M N 3.459 123.053 119.600 -0.010 0.000 2.088 197 M HA 0.487 4.967 4.480 -0.000 0.000 0.346 197 M C -1.730 174.565 176.300 -0.009 0.000 1.111 197 M CA -0.420 54.875 55.300 -0.008 0.000 1.017 197 M CB 0.434 33.032 32.600 -0.003 0.000 1.568 197 M HN 0.348 nan 8.290 nan 0.000 0.445 198 V N 6.524 126.430 119.914 -0.013 0.000 2.334 198 V HA 0.394 4.514 4.120 -0.000 0.000 0.281 198 V C 0.043 176.138 176.094 0.002 0.000 1.016 198 V CA -0.292 62.000 62.300 -0.013 0.000 0.832 198 V CB 0.849 32.654 31.823 -0.030 0.000 0.999 198 V HN 0.944 nan 8.190 nan 0.000 0.439 199 E N 2.897 123.105 120.200 0.013 0.000 2.641 199 E HA 0.343 4.693 4.350 -0.000 0.000 0.224 199 E C 0.798 177.421 176.600 0.038 0.000 0.951 199 E CA 0.059 56.477 56.400 0.031 0.000 1.102 199 E CB 1.737 31.455 29.700 0.030 0.000 1.091 199 E HN 0.763 nan 8.360 nan 0.000 0.507 200 G N 0.894 109.713 108.800 0.032 0.000 3.211 200 G HA2 0.527 4.487 3.960 -0.000 0.000 0.262 200 G HA3 0.527 4.487 3.960 -0.000 0.000 0.262 200 G C -0.932 174.011 174.900 0.071 0.000 1.352 200 G CA -0.895 44.230 45.100 0.041 0.000 1.004 200 G HN -0.104 nan 8.290 nan 0.000 0.559 201 R N -0.055 120.498 120.500 0.088 0.000 2.255 201 R HA 0.403 4.743 4.340 -0.000 0.000 0.326 201 R C -0.690 175.681 176.300 0.118 0.000 0.986 201 R CA -0.384 55.826 56.100 0.184 0.000 0.847 201 R CB 1.633 32.055 30.300 0.203 0.000 1.111 201 R HN 0.279 nan 8.270 nan 0.000 0.452 202 I N 2.735 123.350 120.570 0.074 0.000 2.310 202 I HA 0.125 4.295 4.170 -0.000 0.000 0.287 202 I C 0.277 176.377 176.117 -0.029 0.000 1.073 202 I CA -0.290 60.993 61.300 -0.027 0.000 1.216 202 I CB 1.296 39.229 38.000 -0.112 0.000 1.415 202 I HN 0.563 nan 8.210 nan 0.000 0.480 203 S N 3.955 119.669 115.700 0.023 0.000 2.572 203 S HA 0.216 4.686 4.470 -0.000 0.000 0.267 203 S C 0.709 175.237 174.600 -0.121 0.000 1.361 203 S CA -0.621 57.582 58.200 0.005 0.000 1.009 203 S CB 0.657 63.856 63.200 -0.002 0.000 0.888 203 S HN 0.722 nan 8.310 nan 0.000 0.553 204 A N 0.630 123.331 122.820 -0.198 0.000 2.511 204 A HA 0.488 4.808 4.320 -0.000 0.000 0.242 204 A C 1.548 178.982 177.584 -0.251 0.000 1.069 204 A CA 0.227 52.024 52.037 -0.400 0.000 0.763 204 A CB -1.064 17.557 19.000 -0.631 0.000 1.001 204 A HN 1.810 nan 8.150 nan 0.000 0.498 205 G N 0.781 109.420 108.800 -0.269 0.000 2.234 205 G HA2 -0.196 3.764 3.960 -0.000 0.000 0.260 205 G HA3 -0.196 3.764 3.960 -0.000 0.000 0.260 205 G C 0.257 175.177 174.900 0.033 0.000 0.987 205 G CA 0.209 45.263 45.100 -0.077 0.000 0.625 205 G HN 1.473 nan 8.290 nan 0.000 0.532 206 V N 1.424 121.299 119.914 -0.065 0.000 2.461 206 V HA 0.557 4.677 4.120 -0.000 0.000 0.275 206 V C 0.637 176.695 176.094 -0.060 0.000 1.047 206 V CA -0.463 61.816 62.300 -0.036 0.000 0.955 206 V CB 1.597 33.392 31.823 -0.046 0.000 0.988 206 V HN 0.281 nan 8.190 nan 0.000 0.471 207 V N 5.663 125.561 119.914 -0.027 0.000 2.555 207 V HA 0.535 4.655 4.120 -0.000 0.000 0.302 207 V C -0.231 175.845 176.094 -0.030 0.000 1.038 207 V CA -0.604 61.669 62.300 -0.044 0.000 0.887 207 V CB 2.151 33.953 31.823 -0.034 0.000 0.991 207 V HN 0.580 nan 8.190 nan 0.000 0.434 208 V N 3.167 123.062 119.914 -0.032 0.000 2.444 208 V HA 0.678 4.798 4.120 -0.000 0.000 0.294 208 V C 0.686 176.772 176.094 -0.014 0.000 1.022 208 V CA -0.354 61.932 62.300 -0.022 0.000 0.850 208 V CB 1.739 33.547 31.823 -0.025 0.000 0.992 208 V HN 0.993 nan 8.190 nan 0.000 0.426 209 G N 2.041 110.836 108.800 -0.009 0.000 2.507 209 G HA2 0.332 4.292 3.960 -0.000 0.000 0.271 209 G HA3 0.332 4.292 3.960 -0.000 0.000 0.271 209 G C -0.259 174.641 174.900 0.000 0.000 1.189 209 G CA -0.312 44.786 45.100 -0.004 0.000 0.859 209 G HN 0.732 nan 8.290 nan 0.000 0.542 210 D N -0.444 119.958 120.400 0.004 0.000 2.877 210 D HA 0.234 4.874 4.640 -0.000 0.000 0.220 210 D C 1.623 177.925 176.300 0.002 0.000 1.089 210 D CA 2.146 56.149 54.000 0.005 0.000 0.811 210 D CB 0.154 40.958 40.800 0.007 0.000 1.162 210 D HN 1.068 nan 8.370 nan 0.000 0.513 211 G N 2.392 111.193 108.800 0.001 0.000 2.184 211 G HA2 -0.273 3.687 3.960 -0.000 0.000 0.264 211 G HA3 -0.273 3.687 3.960 -0.000 0.000 0.264 211 G C 0.423 175.322 174.900 -0.001 0.000 0.975 211 G CA 0.484 45.584 45.100 0.000 0.000 0.642 211 G HN 0.635 nan 8.290 nan 0.000 0.536 212 S N 1.166 116.865 115.700 -0.002 0.000 2.545 212 S HA 0.549 5.019 4.470 -0.000 0.000 0.275 212 S C -0.499 174.097 174.600 -0.006 0.000 1.299 212 S CA -0.366 57.832 58.200 -0.003 0.000 1.048 212 S CB 1.460 64.657 63.200 -0.005 0.000 0.938 212 S HN 0.317 nan 8.310 nan 0.000 0.496 213 D N 1.596 121.993 120.400 -0.005 0.000 2.375 213 D HA 0.426 5.066 4.640 -0.000 0.000 0.247 213 D C -0.852 175.442 176.300 -0.010 0.000 1.061 213 D CA -0.337 53.659 54.000 -0.006 0.000 0.834 213 D CB 1.732 42.530 40.800 -0.003 0.000 1.247 213 D HN 0.173 nan 8.370 nan 0.000 0.489 214 V N 1.975 121.883 119.914 -0.011 0.000 2.347 214 V HA 0.581 4.701 4.120 -0.000 0.000 0.280 214 V C 1.110 177.199 176.094 -0.007 0.000 1.021 214 V CA -0.805 61.486 62.300 -0.015 0.000 0.847 214 V CB 1.294 33.107 31.823 -0.017 0.000 0.990 214 V HN 0.583 nan 8.190 nan 0.000 0.444 215 G N 3.218 112.012 108.800 -0.010 0.000 2.606 215 G HA2 0.456 4.416 3.960 -0.000 0.000 0.252 215 G HA3 0.456 4.416 3.960 -0.000 0.000 0.252 215 G C 0.567 175.469 174.900 0.003 0.000 1.206 215 G CA -0.047 45.051 45.100 -0.003 0.000 0.861 215 G HN 1.042 nan 8.290 nan 0.000 0.561 216 G N -1.358 107.448 108.800 0.011 0.000 2.272 216 G HA2 0.501 4.461 3.960 -0.000 0.000 0.247 216 G HA3 0.501 4.461 3.960 -0.000 0.000 0.247 216 G C 1.282 176.192 174.900 0.017 0.000 1.272 216 G CA 0.741 45.853 45.100 0.020 0.000 0.921 216 G HN 1.981 nan 8.290 nan 0.000 0.495 217 G N 0.989 109.803 108.800 0.025 0.000 2.184 217 G HA2 0.086 4.046 3.960 -0.000 0.000 0.264 217 G HA3 0.086 4.046 3.960 -0.000 0.000 0.264 217 G C 0.855 175.763 174.900 0.013 0.000 0.975 217 G CA 0.746 45.860 45.100 0.024 0.000 0.642 217 G HN 1.967 nan 8.290 nan 0.000 0.536 218 A N -0.243 122.575 122.820 -0.003 0.000 2.448 218 A HA 0.670 4.990 4.320 -0.000 0.000 0.239 218 A C 0.821 178.385 177.584 -0.034 0.000 1.080 218 A CA 1.240 53.253 52.037 -0.040 0.000 0.779 218 A CB 0.675 19.644 19.000 -0.052 0.000 1.026 218 A HN 1.868 nan 8.150 nan 0.000 0.499 219 S N 1.080 116.724 115.700 -0.093 0.000 2.707 219 S HA 0.604 5.074 4.470 -0.000 0.000 0.303 219 S C -0.911 173.626 174.600 -0.106 0.000 1.132 219 S CA -0.591 57.582 58.200 -0.045 0.000 1.046 219 S CB 0.106 63.341 63.200 0.057 0.000 1.004 219 S HN 0.513 nan 8.310 nan 0.000 0.483 220 I N 5.302 125.851 120.570 -0.035 0.000 2.354 220 I HA 0.323 4.493 4.170 -0.000 0.000 0.286 220 I C 0.357 176.477 176.117 0.005 0.000 1.007 220 I CA -0.540 60.733 61.300 -0.045 0.000 1.167 220 I CB 1.563 39.537 38.000 -0.042 0.000 1.320 220 I HN 0.512 nan 8.210 nan 0.000 0.458 221 M N 3.204 122.818 119.600 0.024 0.000 2.232 221 M HA 0.128 4.608 4.480 -0.000 0.000 0.321 221 M C 1.594 177.902 176.300 0.013 0.000 1.101 221 M CA 0.407 55.733 55.300 0.043 0.000 1.181 221 M CB 0.789 33.431 32.600 0.071 0.000 1.432 221 M HN 0.800 nan 8.290 nan 0.000 0.457 222 G N 0.445 109.248 108.800 0.005 0.000 2.402 222 G HA2 -0.055 3.905 3.960 -0.000 0.000 0.216 222 G HA3 -0.055 3.905 3.960 -0.000 0.000 0.216 222 G C 0.484 175.384 174.900 -0.001 0.000 1.162 222 G CA 1.186 46.280 45.100 -0.010 0.000 0.777 222 G HN 0.748 nan 8.290 nan 0.000 0.539 223 T N -4.010 110.546 114.554 0.004 0.000 2.843 223 T HA 0.580 4.930 4.350 -0.000 0.000 0.302 223 T C -0.627 174.089 174.700 0.028 0.000 1.232 223 T CA -0.176 61.931 62.100 0.012 0.000 1.009 223 T CB 2.308 71.170 68.868 -0.010 0.000 1.254 223 T HN 1.052 nan 8.240 nan 0.000 0.504 231 V N 0.925 120.863 119.914 0.040 0.000 2.617 231 V HA 0.612 4.732 4.120 -0.000 0.000 0.298 231 V C 0.539 176.640 176.094 0.011 0.000 1.048 231 V CA -0.713 61.589 62.300 0.004 0.000 0.964 231 V CB 1.441 33.238 31.823 -0.043 0.000 1.004 231 V HN 0.580 nan 8.190 nan 0.000 0.466 232 I N 4.832 125.410 120.570 0.013 0.000 2.428 232 I HA 0.514 4.684 4.170 -0.000 0.000 0.289 232 I C 0.562 176.680 176.117 0.001 0.000 1.019 232 I CA 0.458 61.760 61.300 0.003 0.000 1.351 232 I CB 1.602 39.599 38.000 -0.005 0.000 1.412 232 I HN 1.065 nan 8.210 nan 0.000 0.513 233 S N 6.771 122.467 115.700 -0.007 0.000 2.588 233 S HA 0.690 5.160 4.470 -0.000 0.000 0.275 233 S C -1.021 173.571 174.600 -0.013 0.000 1.130 233 S CA -0.887 57.309 58.200 -0.007 0.000 0.855 233 S CB 2.207 65.407 63.200 0.000 0.000 1.116 233 S HN 0.284 nan 8.310 nan 0.000 0.472 234 I N 2.078 122.640 120.570 -0.014 0.000 2.474 234 I HA 0.578 4.748 4.170 -0.000 0.000 0.294 234 I C 1.220 177.333 176.117 -0.006 0.000 1.005 234 I CA -0.375 60.918 61.300 -0.011 0.000 1.113 234 I CB 1.056 39.047 38.000 -0.017 0.000 1.289 234 I HN 1.031 nan 8.210 nan 0.000 0.436 235 G N 5.868 114.668 108.800 0.000 0.000 2.624 235 G HA2 0.248 4.208 3.960 -0.000 0.000 0.217 235 G HA3 0.248 4.208 3.960 -0.000 0.000 0.217 235 G C -0.015 174.886 174.900 0.001 0.000 1.506 235 G CA -0.505 44.595 45.100 0.001 0.000 1.072 235 G HN 0.534 nan 8.290 nan 0.000 0.568 236 K N 0.082 120.483 120.400 0.002 0.000 2.144 236 K HA 0.350 4.670 4.320 -0.000 0.000 0.270 236 K C 0.050 176.652 176.600 0.003 0.000 1.005 236 K CA -0.373 55.915 56.287 0.002 0.000 0.932 236 K CB 1.133 33.635 32.500 0.002 0.000 1.021 236 K HN 0.502 nan 8.250 nan 0.000 0.462 237 R N -0.870 119.632 120.500 0.002 0.000 3.641 237 R HA -0.189 4.151 4.340 -0.000 0.000 0.286 237 R C -0.476 175.827 176.300 0.005 0.000 1.153 237 R CA 0.223 56.325 56.100 0.003 0.000 0.775 237 R CB -2.731 27.570 30.300 0.002 0.000 1.215 237 R HN 0.564 nan 8.270 nan 0.000 0.474 238 C N 0.285 119.589 119.300 0.006 0.000 2.443 238 C HA 0.639 5.099 4.460 -0.000 0.000 0.369 238 C C 0.569 175.563 174.990 0.007 0.000 1.241 238 C CA -0.702 58.322 59.018 0.011 0.000 2.413 238 C CB 0.933 28.680 27.740 0.011 0.000 2.451 238 C HN 0.413 nan 8.230 nan 0.000 0.595 239 L N 2.788 124.017 121.223 0.011 0.000 2.406 239 L HA 0.635 4.975 4.340 -0.000 0.000 0.272 239 L C -1.106 175.766 176.870 0.004 0.000 0.980 239 L CA -0.042 54.801 54.840 0.006 0.000 0.831 239 L CB 0.848 42.911 42.059 0.008 0.000 1.253 239 L HN 0.594 nan 8.230 nan 0.000 0.406 240 L N 5.202 126.418 121.223 -0.011 0.000 2.282 240 L HA 0.660 5.000 4.340 -0.000 0.000 0.288 240 L C 0.993 177.850 176.870 -0.022 0.000 1.033 240 L CA -0.659 54.165 54.840 -0.026 0.000 0.807 240 L CB 1.422 43.449 42.059 -0.053 0.000 1.209 240 L HN 0.775 nan 8.230 nan 0.000 0.423 241 G N 1.827 110.617 108.800 -0.018 0.000 2.667 241 G HA2 0.427 4.387 3.960 -0.000 0.000 0.250 241 G HA3 0.427 4.387 3.960 -0.000 0.000 0.250 241 G C 0.116 175.007 174.900 -0.016 0.000 1.212 241 G CA -0.283 44.811 45.100 -0.010 0.000 0.874 241 G HN 0.789 nan 8.290 nan 0.000 0.561 242 A N 0.511 123.328 122.820 -0.006 0.000 2.498 242 A HA 0.372 4.692 4.320 -0.000 0.000 0.239 242 A C 1.136 178.718 177.584 -0.003 0.000 1.068 242 A CA 0.395 52.430 52.037 -0.003 0.000 0.766 242 A CB -0.141 18.862 19.000 0.004 0.000 1.003 242 A HN 1.081 nan 8.150 nan 0.000 0.497 243 N N -0.683 118.016 118.700 -0.002 0.000 2.753 243 N HA -0.179 4.561 4.740 -0.000 0.000 0.251 243 N C 0.393 175.899 175.510 -0.007 0.000 1.097 243 N CA 1.432 54.487 53.050 0.008 0.000 0.786 243 N CB -1.968 36.531 38.487 0.020 0.000 1.137 243 N HN 1.124 nan 8.380 nan 0.000 0.566 244 S N -1.267 114.401 115.700 -0.054 0.000 2.686 244 S HA 0.794 5.264 4.470 -0.000 0.000 0.270 244 S C 0.675 175.092 174.600 -0.306 0.000 1.194 244 S CA 0.111 58.237 58.200 -0.123 0.000 0.990 244 S CB 2.395 65.527 63.200 -0.113 0.000 1.029 244 S HN 0.490 nan 8.310 nan 0.000 0.560 245 G N -0.636 107.782 108.800 -0.636 0.000 2.706 245 G HA2 0.564 4.524 3.960 -0.000 0.000 0.297 245 G HA3 0.564 4.524 3.960 -0.000 0.000 0.297 245 G C -2.115 172.138 174.900 -1.077 0.000 1.403 245 G CA -0.684 43.567 45.100 -1.415 0.000 0.954 245 G HN 0.770 nan 8.290 nan 0.000 0.500 246 L N 1.837 122.643 121.223 -0.695 0.000 2.376 246 L HA 0.786 5.126 4.340 -0.000 0.000 0.275 246 L C 0.754 177.540 176.870 -0.140 0.000 0.987 246 L CA -0.244 54.392 54.840 -0.340 0.000 0.828 246 L CB 2.070 43.991 42.059 -0.231 0.000 1.249 246 L HN 0.686 nan 8.230 nan 0.000 0.409 247 G N 5.543 114.311 108.800 -0.055 0.000 3.519 247 G HA2 0.327 4.287 3.960 -0.000 0.000 0.269 247 G HA3 0.327 4.287 3.960 -0.000 0.000 0.269 247 G C 0.035 174.923 174.900 -0.020 0.000 1.028 247 G CA 0.257 45.373 45.100 0.027 0.000 0.809 247 G HN 0.608 nan 8.290 nan 0.000 0.521 248 I N -3.560 116.965 120.570 -0.074 0.000 3.145 248 I HA 0.727 4.896 4.170 -0.000 0.000 0.313 248 I C -0.420 175.663 176.117 -0.057 0.000 1.122 248 I CA -1.084 60.180 61.300 -0.059 0.000 0.987 248 I CB 1.905 39.858 38.000 -0.079 0.000 1.236 248 I HN -0.243 nan 8.210 nan 0.000 0.453 249 S N 2.576 118.256 115.700 -0.032 0.000 2.580 249 S HA 0.589 5.059 4.470 -0.000 0.000 0.274 249 S C -0.247 174.348 174.600 -0.009 0.000 1.329 249 S CA -0.551 57.635 58.200 -0.023 0.000 1.036 249 S CB 0.739 63.928 63.200 -0.017 0.000 0.919 249 S HN 0.356 nan 8.310 nan 0.000 0.515 250 L N 1.738 122.961 121.223 -0.000 0.000 2.334 250 L HA 0.579 4.919 4.340 -0.000 0.000 0.273 250 L C 1.158 178.044 176.870 0.025 0.000 1.013 250 L CA -0.782 54.079 54.840 0.034 0.000 0.816 250 L CB 1.433 43.514 42.059 0.036 0.000 1.278 250 L HN 0.802 nan 8.230 nan 0.000 0.431 251 G N 0.645 109.465 108.800 0.035 0.000 2.735 251 G HA2 0.129 4.089 3.960 -0.000 0.000 0.192 251 G HA3 0.129 4.089 3.960 -0.000 0.000 0.192 251 G C -0.549 174.362 174.900 0.017 0.000 1.547 251 G CA -0.359 44.752 45.100 0.019 0.000 1.080 251 G HN 0.553 nan 8.290 nan 0.000 0.569 252 D N 0.498 120.905 120.400 0.012 0.000 2.253 252 D HA 0.291 4.931 4.640 -0.000 0.000 0.249 252 D C -0.284 176.023 176.300 0.011 0.000 1.049 252 D CA -0.073 53.932 54.000 0.009 0.000 0.929 252 D CB 1.093 41.895 40.800 0.004 0.000 1.176 252 D HN 0.386 nan 8.370 nan 0.000 0.437 253 D N -0.216 120.190 120.400 0.011 0.000 2.800 253 D HA -0.162 4.478 4.640 -0.000 0.000 0.232 253 D C -0.448 175.861 176.300 0.015 0.000 1.137 253 D CA 0.507 54.513 54.000 0.008 0.000 0.718 253 D CB -1.531 39.270 40.800 0.001 0.000 1.084 253 D HN 0.259 nan 8.370 nan 0.000 0.432 254 C N 0.055 119.375 119.300 0.032 0.000 2.365 254 C HA 0.725 5.184 4.460 -0.000 0.000 0.349 254 C C 0.793 175.821 174.990 0.064 0.000 1.191 254 C CA -0.631 58.424 59.018 0.061 0.000 2.114 254 C CB 2.050 29.858 27.740 0.113 0.000 2.367 254 C HN 0.153 nan 8.230 nan 0.000 0.530 255 V N 2.359 122.326 119.914 0.088 0.000 2.760 255 V HA 0.541 4.661 4.120 -0.000 0.000 0.309 255 V C -0.681 175.498 176.094 0.142 0.000 1.077 255 V CA -0.432 61.915 62.300 0.078 0.000 0.910 255 V CB 1.971 33.819 31.823 0.042 0.000 1.008 255 V HN 0.672 nan 8.190 nan 0.000 0.424 256 V N 3.290 123.262 119.914 0.097 0.000 2.409 256 V HA 0.365 4.485 4.120 -0.000 0.000 0.291 256 V C 0.268 176.393 176.094 0.052 0.000 1.020 256 V CA -0.645 61.715 62.300 0.100 0.000 0.848 256 V CB 1.640 33.465 31.823 0.002 0.000 0.990 256 V HN 0.997 nan 8.190 nan 0.000 0.430 257 E N 3.649 123.890 120.200 0.068 0.000 2.481 257 E HA 0.232 4.582 4.350 -0.000 0.000 0.263 257 E C 0.461 177.072 176.600 0.019 0.000 0.992 257 E CA -0.068 56.356 56.400 0.041 0.000 0.938 257 E CB 0.848 30.578 29.700 0.050 0.000 0.933 257 E HN 0.892 nan 8.360 nan 0.000 0.453 258 A N 3.165 125.993 122.820 0.013 0.000 2.565 258 A HA 0.326 4.646 4.320 -0.000 0.000 0.237 258 A C 1.261 178.852 177.584 0.012 0.000 1.053 258 A CA 0.722 52.763 52.037 0.007 0.000 0.755 258 A CB -0.434 18.571 19.000 0.008 0.000 0.980 258 A HN 1.133 nan 8.150 nan 0.000 0.506 259 G N 0.328 109.133 108.800 0.010 0.000 2.179 259 G HA2 -0.118 3.842 3.960 -0.000 0.000 0.260 259 G HA3 -0.118 3.842 3.960 -0.000 0.000 0.260 259 G C 0.019 174.941 174.900 0.037 0.000 0.977 259 G CA 0.504 45.619 45.100 0.025 0.000 0.641 259 G HN 1.788 nan 8.290 nan 0.000 0.533 260 L N 0.563 121.798 121.223 0.020 0.000 2.282 260 L HA 0.784 5.124 4.340 -0.000 0.000 0.288 260 L C -0.470 176.404 176.870 0.008 0.000 1.033 260 L CA -1.820 53.041 54.840 0.035 0.000 0.807 260 L CB 0.992 43.076 42.059 0.041 0.000 1.209 260 L HN 0.168 nan 8.230 nan 0.000 0.423 261 Y N 4.859 125.145 120.300 -0.024 0.000 2.434 261 Y HA 0.513 5.063 4.550 -0.000 0.000 0.341 261 Y C -0.473 175.385 175.900 -0.070 0.000 0.965 261 Y CA -0.687 57.385 58.100 -0.046 0.000 1.205 261 Y CB 1.211 39.651 38.460 -0.034 0.000 1.121 261 Y HN 0.407 nan 8.280 nan 0.000 0.507 262 V N 6.102 126.009 119.914 -0.013 0.000 2.320 262 V HA 0.173 4.293 4.120 -0.000 0.000 0.265 262 V C 0.326 176.451 176.094 0.052 0.000 1.048 262 V CA -0.530 61.736 62.300 -0.057 0.000 0.865 262 V CB 0.493 32.087 31.823 -0.382 0.000 1.043 262 V HN 0.855 nan 8.190 nan 0.000 0.474 263 T N 2.119 116.744 114.554 0.118 0.000 2.874 263 T HA 0.567 4.917 4.350 -0.000 0.000 0.281 263 T C 1.444 176.155 174.700 0.020 0.000 0.994 263 T CA 0.021 62.175 62.100 0.091 0.000 1.015 263 T CB 1.818 70.708 68.868 0.036 0.000 1.028 263 T HN 0.604 nan 8.240 nan 0.000 0.523 264 A N 1.023 123.853 122.820 0.018 0.000 1.978 264 A HA 0.144 4.464 4.320 -0.000 0.000 0.220 264 A C 2.241 179.834 177.584 0.014 0.000 1.170 264 A CA 1.628 53.671 52.037 0.010 0.000 0.636 264 A CB -1.382 17.630 19.000 0.021 0.000 0.810 264 A HN 1.123 nan 8.150 nan 0.000 0.448 265 G N -1.707 107.101 108.800 0.013 0.000 3.088 265 G HA2 0.285 4.245 3.960 -0.000 0.000 0.217 265 G HA3 0.285 4.245 3.960 -0.000 0.000 0.217 265 G C 0.460 175.370 174.900 0.017 0.000 1.159 265 G CA 0.445 45.554 45.100 0.014 0.000 0.760 265 G HN 0.322 nan 8.290 nan 0.000 0.550 266 T N 1.183 115.749 114.554 0.020 0.000 2.871 266 T HA 0.096 4.446 4.350 -0.000 0.000 0.296 266 T C 0.560 175.285 174.700 0.042 0.000 0.998 266 T CA 0.097 62.215 62.100 0.030 0.000 1.162 266 T CB 0.835 69.724 68.868 0.036 0.000 0.947 266 T HN 0.303 nan 8.240 nan 0.000 0.536 267 R N 3.437 123.961 120.500 0.041 0.000 2.248 267 R HA 0.358 4.698 4.340 -0.000 0.000 0.328 267 R C -1.022 175.315 176.300 0.061 0.000 1.067 267 R CA -0.344 55.783 56.100 0.045 0.000 0.924 267 R CB 0.197 30.515 30.300 0.031 0.000 1.013 267 R HN 0.402 nan 8.270 nan 0.000 0.454 268 V N 4.388 124.350 119.914 0.079 0.000 2.435 268 V HA 0.229 4.349 4.120 -0.000 0.000 0.290 268 V C 0.124 176.255 176.094 0.061 0.000 1.030 268 V CA -0.662 61.699 62.300 0.102 0.000 0.881 268 V CB 1.873 33.807 31.823 0.185 0.000 0.983 268 V HN 0.795 nan 8.190 nan 0.000 0.445 269 T N 6.912 121.493 114.554 0.044 0.000 2.794 269 T HA 0.482 4.832 4.350 -0.000 0.000 0.296 269 T C 0.082 174.781 174.700 -0.001 0.000 0.949 269 T CA -0.079 62.032 62.100 0.019 0.000 1.101 269 T CB 0.543 69.420 68.868 0.014 0.000 0.905 269 T HN 0.467 nan 8.240 nan 0.000 0.516 270 M N 3.664 123.258 119.600 -0.009 0.000 2.371 270 M HA 0.275 4.755 4.480 -0.000 0.000 0.301 270 M C -1.360 174.922 176.300 -0.030 0.000 1.173 270 M CA -2.433 52.849 55.300 -0.029 0.000 1.020 270 M CB 1.085 33.671 32.600 -0.024 0.000 1.490 270 M HN 0.294 nan 8.290 nan 0.000 0.485 271 P HA -0.183 nan 4.420 nan 0.000 0.218 271 P C 0.397 177.683 177.300 -0.023 0.000 1.148 271 P CA 1.295 64.374 63.100 -0.034 0.000 0.822 271 P CB -0.143 31.533 31.700 -0.040 0.000 0.784 272 D N -1.127 119.261 120.400 -0.020 0.000 2.378 272 D HA -0.066 4.574 4.640 -0.000 0.000 0.227 272 D C 0.810 177.104 176.300 -0.010 0.000 1.012 272 D CA 1.259 55.251 54.000 -0.014 0.000 0.905 272 D CB -0.787 40.005 40.800 -0.013 0.000 0.895 272 D HN 0.229 nan 8.370 nan 0.000 0.532 273 S N -2.547 113.147 115.700 -0.010 0.000 2.857 273 S HA -0.266 4.204 4.470 -0.000 0.000 0.268 273 S C 0.416 175.015 174.600 -0.002 0.000 1.297 273 S CA 0.459 58.655 58.200 -0.005 0.000 1.280 273 S CB -2.757 60.441 63.200 -0.005 0.000 1.562 273 S HN 0.488 nan 8.310 nan 0.000 0.661 274 N N 2.360 121.058 118.700 -0.002 0.000 2.326 274 N HA 0.503 5.243 4.740 -0.000 0.000 0.239 274 N C 0.033 175.546 175.510 0.006 0.000 1.301 274 N CA 0.982 54.033 53.050 0.001 0.000 0.909 274 N CB 1.285 39.772 38.487 0.000 0.000 1.156 274 N HN 0.969 nan 8.380 nan 0.000 0.462 275 S N -0.968 114.738 115.700 0.010 0.000 2.570 275 S HA 0.754 5.224 4.470 -0.000 0.000 0.286 275 S C -0.478 174.135 174.600 0.021 0.000 1.099 275 S CA -0.764 57.447 58.200 0.018 0.000 0.913 275 S CB 1.348 64.561 63.200 0.020 0.000 1.085 275 S HN 0.441 nan 8.310 nan 0.000 0.480 276 V N -1.209 118.724 119.914 0.031 0.000 3.114 276 V HA 0.671 4.791 4.120 -0.000 0.000 0.308 276 V C -1.008 175.113 176.094 0.044 0.000 1.168 276 V CA -1.388 60.932 62.300 0.033 0.000 1.015 276 V CB 1.344 33.186 31.823 0.032 0.000 1.050 276 V HN 0.996 nan 8.190 nan 0.000 0.433 277 K N 1.510 121.932 120.400 0.038 0.000 2.326 277 K HA 0.560 4.880 4.320 -0.000 0.000 0.275 277 K C 1.392 178.026 176.600 0.056 0.000 1.018 277 K CA 0.283 56.595 56.287 0.042 0.000 0.962 277 K CB 1.483 34.001 32.500 0.029 0.000 0.953 277 K HN 0.960 nan 8.250 nan 0.000 0.475 278 A N 3.469 126.328 122.820 0.065 0.000 1.948 278 A HA -0.247 4.073 4.320 -0.000 0.000 0.220 278 A C 2.103 179.721 177.584 0.056 0.000 1.177 278 A CA 1.777 53.864 52.037 0.083 0.000 0.636 278 A CB -0.521 18.488 19.000 0.015 0.000 0.815 278 A HN 0.913 nan 8.150 nan 0.000 0.449 279 R N 0.414 120.932 120.500 0.029 0.000 2.139 279 R HA -0.201 4.138 4.340 -0.000 0.000 0.243 279 R C 1.493 177.804 176.300 0.018 0.000 1.145 279 R CA 1.959 58.069 56.100 0.017 0.000 0.976 279 R CB -0.486 29.825 30.300 0.018 0.000 0.866 279 R HN 0.696 nan 8.270 nan 0.000 0.449 280 E N 0.378 120.595 120.200 0.028 0.000 2.401 280 E HA -0.132 4.218 4.350 -0.000 0.000 0.199 280 E C 1.603 178.224 176.600 0.035 0.000 1.023 280 E CA 0.748 57.162 56.400 0.023 0.000 0.859 280 E CB 0.025 29.739 29.700 0.024 0.000 0.780 280 E HN 0.444 nan 8.360 nan 0.000 0.523 281 L N 0.320 121.583 121.223 0.068 0.000 2.640 281 L HA 0.118 4.457 4.340 -0.000 0.000 0.230 281 L C 0.982 177.909 176.870 0.095 0.000 1.123 281 L CA -0.375 54.527 54.840 0.103 0.000 0.900 281 L CB 0.576 42.765 42.059 0.217 0.000 1.146 281 L HN -0.105 nan 8.230 nan 0.000 0.484 282 S N 0.404 116.132 115.700 0.047 0.000 2.544 282 S HA 0.241 4.711 4.470 -0.000 0.000 0.290 282 S C 1.289 175.895 174.600 0.010 0.000 1.276 282 S CA 0.959 59.170 58.200 0.018 0.000 1.075 282 S CB 0.243 63.433 63.200 -0.018 0.000 0.849 282 S HN 0.651 nan 8.310 nan 0.000 0.494 283 G N 3.619 112.431 108.800 0.019 0.000 2.175 283 G HA2 -0.226 3.734 3.960 -0.000 0.000 0.244 283 G HA3 -0.226 3.734 3.960 -0.000 0.000 0.244 283 G C 0.260 175.172 174.900 0.020 0.000 0.982 283 G CA 0.186 45.291 45.100 0.009 0.000 0.641 283 G HN 0.879 nan 8.290 nan 0.000 0.527 284 S N 0.136 115.861 115.700 0.041 0.000 2.614 284 S HA 0.671 5.141 4.470 -0.000 0.000 0.265 284 S C 0.603 175.225 174.600 0.035 0.000 1.303 284 S CA 0.291 58.511 58.200 0.033 0.000 1.000 284 S CB 1.511 64.733 63.200 0.036 0.000 0.935 284 S HN 0.536 nan 8.310 nan 0.000 0.551 285 S N 0.742 116.450 115.700 0.014 0.000 2.681 285 S HA 0.446 4.916 4.470 -0.000 0.000 0.299 285 S C 0.136 174.733 174.600 -0.006 0.000 1.113 285 S CA -0.979 57.226 58.200 0.009 0.000 1.013 285 S CB 0.785 63.986 63.200 0.002 0.000 1.076 285 S HN 0.806 nan 8.310 nan 0.000 0.534 286 N N -0.186 118.509 118.700 -0.007 0.000 2.747 286 N HA -0.147 4.593 4.740 -0.000 0.000 0.249 286 N C -1.176 174.301 175.510 -0.055 0.000 1.107 286 N CA 0.279 53.315 53.050 -0.024 0.000 0.707 286 N CB -1.463 37.009 38.487 -0.026 0.000 1.054 286 N HN 0.391 nan 8.380 nan 0.000 0.555 287 L N 0.367 121.553 121.223 -0.062 0.000 2.322 287 L HA 0.605 4.945 4.340 -0.000 0.000 0.279 287 L C -0.150 176.628 176.870 -0.153 0.000 1.036 287 L CA -1.024 53.711 54.840 -0.175 0.000 0.807 287 L CB 1.205 43.101 42.059 -0.273 0.000 1.226 287 L HN 0.019 nan 8.230 nan 0.000 0.433 288 L N 3.330 124.419 121.223 -0.224 0.000 2.305 288 L HA 0.529 4.869 4.340 -0.000 0.000 0.284 288 L C -1.097 175.629 176.870 -0.240 0.000 1.013 288 L CA -0.152 54.609 54.840 -0.131 0.000 0.819 288 L CB 0.810 42.827 42.059 -0.071 0.000 1.227 288 L HN 0.202 nan 8.230 nan 0.000 0.417 289 F N 5.551 125.494 119.950 -0.011 0.000 2.410 289 F HA 0.704 5.231 4.527 -0.000 0.000 0.349 289 F C 0.640 176.436 175.800 -0.007 0.000 1.117 289 F CA -0.243 57.752 58.000 -0.008 0.000 1.104 289 F CB 1.035 40.028 39.000 -0.011 0.000 1.122 289 F HN 0.561 nan 8.300 nan 0.000 0.483 290 R N 1.875 122.468 120.500 0.155 0.000 2.764 290 R HA 0.602 4.942 4.340 -0.000 0.000 0.270 290 R C -1.528 174.824 176.300 0.087 0.000 1.014 290 R CA -1.257 54.903 56.100 0.101 0.000 0.904 290 R CB 1.691 32.022 30.300 0.052 0.000 1.236 290 R HN 0.624 nan 8.270 nan 0.000 0.466 291 R N 1.886 122.425 120.500 0.066 0.000 2.229 291 R HA 0.157 4.497 4.340 -0.000 0.000 0.328 291 R C -0.623 175.699 176.300 0.037 0.000 1.009 291 R CA -0.546 55.586 56.100 0.054 0.000 0.864 291 R CB 0.873 31.203 30.300 0.050 0.000 1.085 291 R HN 0.703 nan 8.270 nan 0.000 0.453 292 N N 2.251 120.969 118.700 0.031 0.000 2.411 292 N HA -0.096 4.644 4.740 -0.000 0.000 0.265 292 N C 0.562 176.083 175.510 0.018 0.000 1.266 292 N CA 0.481 53.543 53.050 0.020 0.000 0.889 292 N CB 0.974 39.471 38.487 0.016 0.000 1.069 292 N HN 0.748 nan 8.380 nan 0.000 0.476 293 S N 2.186 117.895 115.700 0.015 0.000 2.607 293 S HA -0.012 4.458 4.470 -0.000 0.000 0.224 293 S C 1.495 176.102 174.600 0.011 0.000 0.969 293 S CA 0.207 58.416 58.200 0.014 0.000 0.927 293 S CB 0.211 63.419 63.200 0.013 0.000 0.772 293 S HN 0.367 nan 8.310 nan 0.000 0.533 294 V N 1.817 121.737 119.914 0.010 0.000 2.690 294 V HA 0.058 4.178 4.120 -0.000 0.000 0.240 294 V C 2.735 178.834 176.094 0.009 0.000 1.078 294 V CA 1.255 63.560 62.300 0.008 0.000 1.102 294 V CB -0.355 31.472 31.823 0.006 0.000 0.800 294 V HN 0.706 nan 8.190 nan 0.000 0.479 295 S N 0.314 116.020 115.700 0.010 0.000 2.528 295 S HA 0.204 4.674 4.470 -0.000 0.000 0.219 295 S C 1.791 176.399 174.600 0.013 0.000 0.985 295 S CA 0.812 59.018 58.200 0.010 0.000 0.914 295 S CB 0.396 63.602 63.200 0.010 0.000 0.776 295 S HN 1.174 nan 8.310 nan 0.000 0.526 296 G N 1.187 109.997 108.800 0.016 0.000 2.175 296 G HA2 -0.187 3.773 3.960 -0.000 0.000 0.265 296 G HA3 -0.187 3.773 3.960 -0.000 0.000 0.265 296 G C 0.239 175.154 174.900 0.025 0.000 0.979 296 G CA 0.143 45.254 45.100 0.020 0.000 0.663 296 G HN 1.325 nan 8.290 nan 0.000 0.533 297 A N -0.130 122.705 122.820 0.025 0.000 2.363 297 A HA 0.682 5.002 4.320 -0.000 0.000 0.270 297 A C 0.625 178.235 177.584 0.042 0.000 1.121 297 A CA 0.036 52.091 52.037 0.030 0.000 0.800 297 A CB 1.081 20.095 19.000 0.024 0.000 1.052 297 A HN 1.100 nan 8.150 nan 0.000 0.493 298 V N 3.833 123.781 119.914 0.056 0.000 2.479 298 V HA 0.248 4.368 4.120 -0.000 0.000 0.281 298 V C 0.448 176.593 176.094 0.086 0.000 1.031 298 V CA 0.273 62.624 62.300 0.085 0.000 1.038 298 V CB 0.026 31.912 31.823 0.105 0.000 0.981 298 V HN 1.015 nan 8.190 nan 0.000 0.478 299 E N 4.094 124.343 120.200 0.081 0.000 2.343 299 E HA 0.760 5.110 4.350 -0.000 0.000 0.270 299 E C -1.607 174.981 176.600 -0.021 0.000 0.895 299 E CA -0.924 55.495 56.400 0.032 0.000 0.767 299 E CB 2.616 32.319 29.700 0.005 0.000 1.248 299 E HN 0.326 nan 8.360 nan 0.000 0.440 300 V N 2.780 122.622 119.914 -0.120 0.000 2.495 300 V HA 0.449 4.569 4.120 -0.000 0.000 0.298 300 V C -1.549 174.405 176.094 -0.233 0.000 1.031 300 V CA -0.653 61.440 62.300 -0.345 0.000 0.871 300 V CB 1.295 32.790 31.823 -0.547 0.000 0.988 300 V HN 0.580 nan 8.190 nan 0.000 0.432 301 L N 5.669 126.750 121.223 -0.236 0.000 2.342 301 L HA 0.802 5.142 4.340 -0.000 0.000 0.271 301 L C 0.414 177.190 176.870 -0.156 0.000 1.008 301 L CA -0.417 54.333 54.840 -0.150 0.000 0.818 301 L CB 1.610 43.609 42.059 -0.100 0.000 1.296 301 L HN 0.750 nan 8.230 nan 0.000 0.427 302 A N 2.018 124.773 122.820 -0.108 0.000 2.347 302 A HA 0.390 4.710 4.320 -0.000 0.000 0.287 302 A C 0.907 178.451 177.584 -0.066 0.000 1.199 302 A CA -0.311 51.673 52.037 -0.088 0.000 0.851 302 A CB -0.139 18.821 19.000 -0.066 0.000 1.118 302 A HN 0.788 nan 8.150 nan 0.000 0.525 303 R N 1.455 121.918 120.500 -0.062 0.000 2.339 303 R HA -0.021 4.319 4.340 -0.000 0.000 0.199 303 R C -0.339 175.942 176.300 -0.031 0.000 1.018 303 R CA 1.072 57.146 56.100 -0.042 0.000 1.036 303 R CB 0.164 30.443 30.300 -0.035 0.000 0.899 303 R HN 0.842 nan 8.270 nan 0.000 0.473 304 D N -1.809 118.572 120.400 -0.032 0.000 2.712 304 D HA 0.058 4.698 4.640 -0.000 0.000 0.300 304 D C 0.821 177.107 176.300 -0.024 0.000 1.521 304 D CA 0.060 54.045 54.000 -0.024 0.000 0.790 304 D CB 0.060 40.847 40.800 -0.021 0.000 1.155 304 D HN 0.077 nan 8.370 nan 0.000 0.456 305 G N 0.734 109.517 108.800 -0.028 0.000 2.225 305 G HA2 -0.385 3.575 3.960 -0.000 0.000 0.272 305 G HA3 -0.385 3.575 3.960 -0.000 0.000 0.272 305 G C 0.278 175.163 174.900 -0.025 0.000 0.996 305 G CA 1.088 46.172 45.100 -0.026 0.000 0.710 305 G HN 0.576 nan 8.290 nan 0.000 0.522 306 Q N -0.121 119.663 119.800 -0.027 0.000 2.212 306 Q HA 0.626 4.966 4.340 -0.000 0.000 0.238 306 Q C 1.092 177.075 176.000 -0.029 0.000 0.955 306 Q CA 0.410 56.198 55.803 -0.025 0.000 0.906 306 Q CB 0.804 29.529 28.738 -0.023 0.000 1.215 306 Q HN 0.535 nan 8.270 nan 0.000 0.478 307 G N 0.972 109.757 108.800 -0.025 0.000 2.594 307 G HA2 0.378 4.338 3.960 -0.000 0.000 0.243 307 G HA3 0.378 4.338 3.960 -0.000 0.000 0.243 307 G C -0.660 174.221 174.900 -0.031 0.000 1.229 307 G CA -0.405 44.679 45.100 -0.026 0.000 0.843 307 G HN 0.594 nan 8.290 nan 0.000 0.578 308 I N 1.345 121.894 120.570 -0.034 0.000 2.330 308 I HA 0.474 4.644 4.170 -0.000 0.000 0.289 308 I C 0.534 176.636 176.117 -0.024 0.000 1.001 308 I CA -0.468 60.811 61.300 -0.036 0.000 1.193 308 I CB 1.631 39.600 38.000 -0.053 0.000 1.345 308 I HN 0.524 nan 8.210 nan 0.000 0.461 309 A N 6.962 129.770 122.820 -0.018 0.000 2.340 309 A HA 0.894 5.214 4.320 -0.000 0.000 0.331 309 A C -0.689 176.890 177.584 -0.008 0.000 1.140 309 A CA -0.474 51.556 52.037 -0.012 0.000 0.801 309 A CB 1.071 20.064 19.000 -0.011 0.000 1.234 309 A HN 0.530 nan 8.150 nan 0.000 0.469 310 L N 0.000 121.220 121.223 -0.005 0.000 2.949 310 L HA 0.000 4.340 4.340 -0.000 0.000 0.249 310 L CA 0.000 54.840 54.840 0.000 0.000 0.813 310 L CB 0.000 42.062 42.059 0.004 0.000 0.961 310 L HN 0.000 nan 8.230 nan 0.000 0.502