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 1zz1_1_D DATA FIRST_RESID 2 DATA SEQUENCE AIGYVWNTLY GWVDTGTGSL AAANLTARMQ PISHHLAHPD TKRRFHELVC DATA SEQUENCE ASGQIEHLTP IAAVAATDAD ILRAHSAAHL ENMKRVSNLP TGGDTGDGIT DATA SEQUENCE MMGNGGLEIA RLSAGGAVEL TRRVATGELS AGYALVNPPG HHAPHNAAMG DATA SEQUENCE FCIFNNTSVA AGYARAVLGM ERVAILDWDV HHGNGTQDIW WNDPSVLTIS DATA SEQUENCE LHQHLCFPPD SGYSTERGAG NGHGYNINVP LPPGSGNAAY LHAMDQVVLP DATA SEQUENCE ALRAYRPQLI IVGSGFDASM LDPLARMMVT ADGFRQMARR TIDCAADICD DATA SEQUENCE GRIVFVQEGG YSPHYLPFCG LAVIEELTGV RSLPDPYHEF LAGMGGNTLL DATA SEQUENCE DAERAAIEEI VPLLADI 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 2 A HA 0.000 nan 4.320 nan 0.000 0.244 2 A C 0.000 177.639 177.584 0.092 0.000 1.274 2 A CA 0.000 52.082 52.037 0.076 0.000 0.836 2 A CB 0.000 19.040 19.000 0.067 0.000 0.831 3 I N 2.369 123.003 120.570 0.106 0.000 2.382 3 I HA 0.476 4.645 4.170 -0.002 0.000 0.285 3 I C 0.974 177.185 176.117 0.156 0.000 1.007 3 I CA -0.287 61.093 61.300 0.133 0.000 1.142 3 I CB 0.697 38.776 38.000 0.130 0.000 1.289 3 I HN 0.873 nan 8.210 nan 0.000 0.453 4 G N 5.559 114.460 108.800 0.168 0.000 2.476 4 G HA2 0.337 4.296 3.960 -0.002 0.000 0.269 4 G HA3 0.337 4.296 3.960 -0.002 0.000 0.269 4 G C -1.593 173.475 174.900 0.280 0.000 1.195 4 G CA -0.061 45.148 45.100 0.182 0.000 0.843 4 G HN 0.531 nan 8.290 nan 0.000 0.545 5 Y N 1.190 121.562 120.300 0.120 0.000 2.362 5 Y HA 0.472 5.022 4.550 -0.001 0.000 0.326 5 Y C -1.126 174.863 175.900 0.148 0.000 1.083 5 Y CA -0.949 57.241 58.100 0.150 0.000 1.073 5 Y CB 1.790 40.323 38.460 0.121 0.000 1.211 5 Y HN 0.462 nan 8.280 nan 0.000 0.433 6 V N 6.720 126.405 119.914 -0.381 0.000 2.384 6 V HA 0.372 4.491 4.120 -0.002 0.000 0.287 6 V C -0.975 174.916 176.094 -0.338 0.000 1.020 6 V CA -0.699 61.445 62.300 -0.259 0.000 0.850 6 V CB 1.438 33.231 31.823 -0.050 0.000 0.987 6 V HN 0.815 nan 8.190 nan 0.000 0.436 7 W N 5.560 126.580 121.300 -0.467 0.000 3.097 7 W HA 0.530 5.189 4.660 -0.002 0.000 0.335 7 W C -1.680 174.531 176.519 -0.514 0.000 1.114 7 W CA -0.691 56.410 57.345 -0.407 0.000 1.231 7 W CB 2.195 31.273 29.460 -0.637 0.000 1.388 7 W HN 0.655 nan 8.180 nan 0.000 0.485 8 N N 2.044 119.777 118.700 -1.613 0.000 2.284 8 N HA 0.259 4.998 4.740 -0.002 0.000 0.300 8 N C 0.776 175.279 175.510 -1.678 0.000 1.047 8 N CA -0.157 51.993 53.050 -1.499 0.000 0.821 8 N CB 2.243 39.760 38.487 -1.618 0.000 1.337 8 N HN 0.252 nan 8.380 nan 0.000 0.482 9 T N 2.283 116.256 114.554 -0.969 0.000 2.721 9 T HA -0.160 4.189 4.350 -0.002 0.000 0.268 9 T C 1.592 175.797 174.700 -0.826 0.000 1.038 9 T CA 1.248 62.937 62.100 -0.684 0.000 1.145 9 T CB -0.253 68.302 68.868 -0.523 0.000 0.858 9 T HN 0.479 nan 8.240 nan 0.000 0.459 10 L N -0.205 120.478 121.223 -0.901 0.000 2.275 10 L HA -0.078 4.260 4.340 -0.002 0.000 0.215 10 L C 2.276 178.952 176.870 -0.324 0.000 1.119 10 L CA 0.911 55.354 54.840 -0.661 0.000 0.790 10 L CB -0.660 41.093 42.059 -0.510 0.000 0.919 10 L HN 0.281 nan 8.230 nan 0.000 0.443 11 Y N 0.387 120.317 120.300 -0.616 0.000 2.256 11 Y HA -0.144 4.405 4.550 -0.002 0.000 0.288 11 Y C 2.494 178.249 175.900 -0.243 0.000 1.155 11 Y CA 0.860 58.642 58.100 -0.529 0.000 1.203 11 Y CB -1.338 36.546 38.460 -0.959 0.000 0.980 11 Y HN 0.112 nan 8.280 nan 0.000 0.530 12 G N -2.632 106.180 108.800 0.019 0.000 2.813 12 G HA2 -0.128 3.831 3.960 -0.002 0.000 0.209 12 G HA3 -0.128 3.831 3.960 -0.002 0.000 0.209 12 G C 0.581 175.742 174.900 0.435 0.000 1.150 12 G CA -0.010 45.323 45.100 0.390 0.000 0.785 12 G HN 0.323 nan 8.290 nan 0.000 0.535 13 W N 0.496 121.771 121.300 -0.041 0.000 3.132 13 W HA 0.428 5.086 4.660 -0.004 0.000 0.364 13 W C 0.329 176.789 176.519 -0.098 0.000 1.129 13 W CA -1.547 55.758 57.345 -0.066 0.000 1.815 13 W CB -0.483 28.939 29.460 -0.064 0.000 1.099 13 W HN -0.220 nan 8.180 nan 0.000 0.605 14 V N 2.668 122.635 119.914 0.089 0.000 2.509 14 V HA -0.134 3.985 4.120 -0.002 0.000 0.297 14 V C 0.402 176.434 176.094 -0.104 0.000 1.014 14 V CA 0.483 62.773 62.300 -0.016 0.000 1.127 14 V CB 0.174 31.970 31.823 -0.045 0.000 0.925 14 V HN -0.111 nan 8.190 nan 0.000 0.480 15 D N 4.198 124.541 120.400 -0.096 0.000 2.365 15 D HA 0.150 4.788 4.640 -0.002 0.000 0.237 15 D C 1.166 177.360 176.300 -0.177 0.000 1.190 15 D CA -0.092 53.829 54.000 -0.133 0.000 0.867 15 D CB 1.286 42.034 40.800 -0.087 0.000 1.050 15 D HN 0.720 nan 8.370 nan 0.000 0.491 16 T N 0.759 115.168 114.554 -0.241 0.000 3.144 16 T HA 0.450 4.798 4.350 -0.002 0.000 0.249 16 T C 1.160 175.709 174.700 -0.252 0.000 1.089 16 T CA 0.064 61.950 62.100 -0.356 0.000 0.989 16 T CB -0.079 68.507 68.868 -0.469 0.000 0.992 16 T HN 0.559 nan 8.240 nan 0.000 0.540 17 G N 1.879 110.607 108.800 -0.120 0.000 2.542 17 G HA2 -0.231 3.728 3.960 -0.002 0.000 0.235 17 G HA3 -0.231 3.728 3.960 -0.002 0.000 0.235 17 G C 0.576 175.485 174.900 0.015 0.000 1.286 17 G CA 0.455 45.527 45.100 -0.046 0.000 0.904 17 G HN 1.018 nan 8.290 nan 0.000 0.577 18 T N -1.619 112.959 114.554 0.040 0.000 3.040 18 T HA 0.610 4.959 4.350 -0.002 0.000 0.266 18 T C 1.157 175.903 174.700 0.077 0.000 1.005 18 T CA 1.191 63.323 62.100 0.053 0.000 0.906 18 T CB 0.602 69.487 68.868 0.029 0.000 1.082 18 T HN 1.879 nan 8.240 nan 0.000 0.531 19 G N 0.470 109.342 108.800 0.120 0.000 2.535 19 G HA2 0.487 4.446 3.960 -0.002 0.000 0.303 19 G HA3 0.487 4.446 3.960 -0.002 0.000 0.303 19 G C 0.531 175.493 174.900 0.103 0.000 1.237 19 G CA -0.432 44.737 45.100 0.114 0.000 0.986 19 G HN 0.169 nan 8.290 nan 0.000 0.494 20 S N -1.097 114.582 115.700 -0.034 0.000 2.439 20 S HA 0.080 4.549 4.470 -0.002 0.000 0.224 20 S C 1.208 175.451 174.600 -0.595 0.000 1.029 20 S CA 0.812 58.884 58.200 -0.212 0.000 0.946 20 S CB -0.013 63.121 63.200 -0.111 0.000 0.797 20 S HN 0.392 nan 8.310 nan 0.000 0.504 21 L N -0.971 120.056 121.223 -0.327 0.000 1.719 21 L HA 0.559 4.897 4.340 -0.002 0.000 0.119 21 L C 0.129 177.108 176.870 0.183 0.000 1.421 21 L CA 0.612 55.346 54.840 -0.177 0.000 1.093 21 L CB -0.659 41.335 42.059 -0.109 0.000 2.237 21 L HN 0.092 nan 8.230 nan 0.000 0.465 22 A N 0.925 123.798 122.820 0.087 0.000 2.280 22 A HA 0.747 5.065 4.320 -0.002 0.000 0.268 22 A C 0.372 178.018 177.584 0.104 0.000 1.111 22 A CA 0.110 52.207 52.037 0.100 0.000 0.814 22 A CB -0.320 18.710 19.000 0.050 0.000 1.093 22 A HN 0.628 nan 8.150 nan 0.000 0.498 23 A N -0.241 122.629 122.820 0.083 0.000 2.507 23 A HA 0.497 4.816 4.320 -0.002 0.000 0.235 23 A C 0.958 178.571 177.584 0.049 0.000 1.070 23 A CA 0.236 52.313 52.037 0.067 0.000 0.768 23 A CB -0.650 18.376 19.000 0.043 0.000 1.011 23 A HN 2.287 nan 8.150 nan 0.000 0.502 24 A N 1.597 124.444 122.820 0.045 0.000 2.555 24 A HA 0.384 4.702 4.320 -0.002 0.000 0.233 24 A C 0.523 178.121 177.584 0.023 0.000 1.060 24 A CA 0.342 52.398 52.037 0.030 0.000 0.759 24 A CB -0.126 18.891 19.000 0.028 0.000 0.995 24 A HN 0.939 nan 8.150 nan 0.000 0.506 25 N N 1.982 120.693 118.700 0.018 0.000 2.542 25 N HA 0.150 4.888 4.740 -0.002 0.000 0.288 25 N C -0.063 175.454 175.510 0.012 0.000 1.115 25 N CA -0.584 52.475 53.050 0.015 0.000 0.924 25 N CB 1.356 39.852 38.487 0.015 0.000 1.526 25 N HN 0.420 nan 8.380 nan 0.000 0.515 26 L N 4.100 125.329 121.223 0.010 0.000 2.056 26 L HA -0.032 4.306 4.340 -0.002 0.000 0.207 26 L C 2.478 179.353 176.870 0.008 0.000 1.078 26 L CA 2.342 57.187 54.840 0.009 0.000 0.749 26 L CB -0.756 41.308 42.059 0.008 0.000 0.901 26 L HN 0.793 nan 8.230 nan 0.000 0.433 27 T N -2.999 111.560 114.554 0.008 0.000 2.788 27 T HA -0.138 4.211 4.350 -0.002 0.000 0.268 27 T C 1.820 176.525 174.700 0.007 0.000 1.044 27 T CA 1.004 63.108 62.100 0.007 0.000 1.139 27 T CB -0.853 68.019 68.868 0.006 0.000 0.867 27 T HN 0.319 nan 8.240 nan 0.000 0.454 28 A N 1.085 123.910 122.820 0.008 0.000 2.168 28 A HA 0.171 4.490 4.320 -0.002 0.000 0.215 28 A C 1.197 178.786 177.584 0.008 0.000 1.152 28 A CA 0.275 52.317 52.037 0.008 0.000 0.716 28 A CB -0.414 18.592 19.000 0.009 0.000 0.794 28 A HN 0.367 nan 8.150 nan 0.000 0.465 29 R N -1.841 118.664 120.500 0.009 0.000 3.525 29 R HA -0.155 4.183 4.340 -0.002 0.000 0.276 29 R C -0.575 175.730 176.300 0.009 0.000 1.116 29 R CA 0.954 57.059 56.100 0.009 0.000 0.745 29 R CB -2.734 27.571 30.300 0.008 0.000 1.185 29 R HN 0.647 nan 8.270 nan 0.000 0.454 30 M N 1.076 120.682 119.600 0.010 0.000 2.201 30 M HA 0.112 4.591 4.480 -0.002 0.000 0.345 30 M C 1.000 177.308 176.300 0.013 0.000 1.352 30 M CA 0.280 55.586 55.300 0.010 0.000 1.218 30 M CB 1.008 33.614 32.600 0.011 0.000 1.512 30 M HN 0.055 nan 8.290 nan 0.000 0.447 31 Q N 4.780 124.587 119.800 0.013 0.000 2.337 31 Q HA 0.236 4.575 4.340 -0.002 0.000 0.270 31 Q C -2.179 173.833 176.000 0.019 0.000 1.002 31 Q CA -1.430 54.382 55.803 0.015 0.000 0.888 31 Q CB 0.729 29.475 28.738 0.014 0.000 1.222 31 Q HN 0.306 nan 8.270 nan 0.000 0.400 32 P HA 0.073 nan 4.420 nan 0.000 0.268 32 P C -0.965 176.354 177.300 0.031 0.000 1.208 32 P CA 0.301 63.417 63.100 0.027 0.000 0.777 32 P CB 0.481 32.195 31.700 0.023 0.000 0.875 33 I N 0.109 120.704 120.570 0.042 0.000 2.894 33 I HA 0.168 4.337 4.170 -0.002 0.000 0.302 33 I C 0.980 177.137 176.117 0.066 0.000 1.188 33 I CA -0.432 60.900 61.300 0.053 0.000 1.014 33 I CB 2.095 40.126 38.000 0.051 0.000 1.242 33 I HN 0.163 nan 8.210 nan 0.000 0.430 34 S N 2.708 118.459 115.700 0.085 0.000 2.368 34 S HA 0.024 4.492 4.470 -0.002 0.000 0.224 34 S C 0.421 175.005 174.600 -0.026 0.000 1.029 34 S CA 0.917 59.157 58.200 0.066 0.000 0.988 34 S CB -0.190 63.098 63.200 0.146 0.000 0.838 34 S HN 0.504 nan 8.310 nan 0.000 0.462 35 H N 1.085 120.138 119.070 -0.030 0.000 2.673 35 H HA 0.182 4.736 4.556 -0.003 0.000 0.293 35 H C -0.153 175.232 175.328 0.094 0.000 1.065 35 H CA -0.473 55.551 56.048 -0.039 0.000 1.236 35 H CB 0.303 29.962 29.762 -0.171 0.000 1.389 35 H HN 0.317 nan 8.280 nan 0.000 0.481 36 H N 3.420 122.562 119.070 0.120 0.000 3.016 36 H HA -0.086 4.468 4.556 -0.002 0.000 0.345 36 H C 0.996 176.379 175.328 0.091 0.000 1.066 36 H CA 0.301 56.389 56.048 0.067 0.000 1.390 36 H CB 1.032 30.797 29.762 0.004 0.000 1.344 36 H HN 0.673 nan 8.280 nan 0.000 0.605 37 L N 3.626 124.707 121.223 -0.237 0.000 2.089 37 L HA -0.250 4.088 4.340 -0.002 0.000 0.213 37 L C 2.321 179.333 176.870 0.236 0.000 1.079 37 L CA 1.842 56.662 54.840 -0.034 0.000 0.758 37 L CB -0.367 41.564 42.059 -0.213 0.000 0.891 37 L HN 0.689 nan 8.230 nan 0.000 0.433 38 A N -2.472 120.549 122.820 0.336 0.000 2.370 38 A HA -0.008 4.311 4.320 -0.002 0.000 0.238 38 A C 0.693 178.385 177.584 0.180 0.000 1.289 38 A CA -0.317 51.849 52.037 0.215 0.000 0.885 38 A CB -0.754 17.910 19.000 -0.561 0.000 0.961 38 A HN 0.331 nan 8.150 nan 0.000 0.499 39 H N 1.727 120.899 119.070 0.170 0.000 3.115 39 H HA -0.006 4.548 4.556 -0.003 0.000 0.324 39 H C -1.385 174.015 175.328 0.121 0.000 1.007 39 H CA -0.193 55.912 56.048 0.095 0.000 1.385 39 H CB 1.098 30.931 29.762 0.118 0.000 1.351 39 H HN 0.173 nan 8.280 nan 0.000 0.592 40 P HA -0.121 nan 4.420 nan 0.000 0.228 40 P C 0.680 178.157 177.300 0.294 0.000 1.151 40 P CA 0.720 63.871 63.100 0.085 0.000 0.770 40 P CB 0.397 32.102 31.700 0.008 0.000 0.786 41 D N -0.242 120.467 120.400 0.515 0.000 2.182 41 D HA -0.109 4.530 4.640 -0.002 0.000 0.201 41 D C 1.870 178.330 176.300 0.267 0.000 0.986 41 D CA 1.291 55.541 54.000 0.417 0.000 0.847 41 D CB -0.864 40.202 40.800 0.444 0.000 0.942 41 D HN 0.162 nan 8.370 nan 0.000 0.467 42 T N 0.756 115.461 114.554 0.251 0.000 2.652 42 T HA -0.162 4.187 4.350 -0.002 0.000 0.267 42 T C 1.903 176.705 174.700 0.170 0.000 1.039 42 T CA 1.333 63.527 62.100 0.156 0.000 1.153 42 T CB -0.083 68.866 68.868 0.135 0.000 0.863 42 T HN 0.196 nan 8.240 nan 0.000 0.428 43 K N 0.401 120.941 120.400 0.232 0.000 2.155 43 K HA 0.046 4.365 4.320 -0.002 0.000 0.203 43 K C 2.514 179.217 176.600 0.171 0.000 1.052 43 K CA 0.641 57.105 56.287 0.295 0.000 0.948 43 K CB -0.094 32.627 32.500 0.368 0.000 0.728 43 K HN 0.157 nan 8.250 nan 0.000 0.448 44 R N 1.412 122.041 120.500 0.215 0.000 2.105 44 R HA -0.118 4.221 4.340 -0.002 0.000 0.239 44 R C 2.041 178.292 176.300 -0.082 0.000 1.135 44 R CA 1.450 57.558 56.100 0.013 0.000 0.967 44 R CB 0.036 30.505 30.300 0.282 0.000 0.861 44 R HN 0.081 nan 8.270 nan 0.000 0.442 45 R N -0.598 119.917 120.500 0.025 0.000 2.092 45 R HA -0.130 4.209 4.340 -0.002 0.000 0.231 45 R C 2.194 178.466 176.300 -0.046 0.000 1.119 45 R CA 1.639 57.727 56.100 -0.018 0.000 0.970 45 R CB -0.406 29.896 30.300 0.005 0.000 0.864 45 R HN 0.326 nan 8.270 nan 0.000 0.440 46 F N 1.031 120.861 119.950 -0.201 0.000 2.069 46 F HA -0.329 4.196 4.527 -0.003 0.000 0.298 46 F C 2.675 178.308 175.800 -0.278 0.000 1.113 46 F CA 1.566 59.416 58.000 -0.250 0.000 1.214 46 F CB -0.236 38.669 39.000 -0.157 0.000 0.978 46 F HN 0.180 nan 8.300 nan 0.000 0.474 47 H N 0.655 119.416 119.070 -0.515 0.000 2.319 47 H HA -0.209 4.346 4.556 -0.001 0.000 0.297 47 H C 1.906 176.972 175.328 -0.436 0.000 1.097 47 H CA 2.314 57.946 56.048 -0.694 0.000 1.285 47 H CB -0.320 28.539 29.762 -1.505 0.000 1.368 47 H HN 0.468 nan 8.280 nan 0.000 0.495 48 E N 0.047 119.936 120.200 -0.519 0.000 2.150 48 E HA -0.137 4.211 4.350 -0.002 0.000 0.193 48 E C 2.344 178.744 176.600 -0.333 0.000 0.985 48 E CA 0.652 56.801 56.400 -0.420 0.000 0.814 48 E CB 0.024 29.607 29.700 -0.195 0.000 0.752 48 E HN 0.303 nan 8.360 nan 0.000 0.466 49 L N 0.531 121.587 121.223 -0.277 0.000 2.109 49 L HA -0.100 4.239 4.340 -0.002 0.000 0.207 49 L C 2.134 178.855 176.870 -0.247 0.000 1.086 49 L CA 1.112 55.805 54.840 -0.246 0.000 0.760 49 L CB -0.166 41.707 42.059 -0.309 0.000 0.910 49 L HN -0.103 nan 8.230 nan 0.000 0.437 50 V N -0.911 118.825 119.914 -0.296 0.000 2.332 50 V HA -0.379 3.739 4.120 -0.002 0.000 0.248 50 V C 2.572 178.455 176.094 -0.351 0.000 1.055 50 V CA 2.009 64.099 62.300 -0.349 0.000 1.038 50 V CB -0.854 30.650 31.823 -0.532 0.000 0.651 50 V HN 0.641 nan 8.190 nan 0.000 0.450 51 C N -0.106 118.946 119.300 -0.413 0.000 2.489 51 C HA 0.060 4.519 4.460 -0.002 0.000 0.279 51 C C 3.072 177.945 174.990 -0.195 0.000 1.266 51 C CA 0.530 59.365 59.018 -0.305 0.000 1.707 51 C CB -1.281 26.247 27.740 -0.353 0.000 2.059 51 C HN 0.610 nan 8.230 nan 0.000 0.481 52 A N 1.364 124.074 122.820 -0.184 0.000 2.019 52 A HA -0.134 4.184 4.320 -0.002 0.000 0.219 52 A C 2.225 179.760 177.584 -0.083 0.000 1.164 52 A CA 2.101 54.070 52.037 -0.113 0.000 0.644 52 A CB -0.722 18.219 19.000 -0.097 0.000 0.805 52 A HN 0.723 nan 8.150 nan 0.000 0.449 53 S N -1.909 113.734 115.700 -0.096 0.000 2.522 53 S HA 0.315 4.784 4.470 -0.002 0.000 0.227 53 S C 1.541 176.120 174.600 -0.035 0.000 0.986 53 S CA 1.165 59.333 58.200 -0.054 0.000 0.929 53 S CB -0.406 62.756 63.200 -0.064 0.000 0.769 53 S HN 1.906 nan 8.310 nan 0.000 0.529 54 G N 0.763 109.529 108.800 -0.057 0.000 2.179 54 G HA2 -0.287 3.672 3.960 -0.002 0.000 0.260 54 G HA3 -0.287 3.672 3.960 -0.002 0.000 0.260 54 G C 0.868 175.771 174.900 0.005 0.000 0.977 54 G CA 0.390 45.469 45.100 -0.035 0.000 0.641 54 G HN 0.417 nan 8.290 nan 0.000 0.533 55 Q N -0.388 119.398 119.800 -0.025 0.000 2.170 55 Q HA -0.009 4.330 4.340 -0.002 0.000 0.203 55 Q C 2.609 178.570 176.000 -0.064 0.000 0.976 55 Q CA 1.468 57.275 55.803 0.005 0.000 0.858 55 Q CB -0.227 28.450 28.738 -0.102 0.000 0.907 55 Q HN 0.743 nan 8.270 nan 0.000 0.433 56 I N 1.657 122.125 120.570 -0.171 0.000 2.423 56 I HA -0.247 3.922 4.170 -0.002 0.000 0.254 56 I C 1.596 177.634 176.117 -0.132 0.000 1.151 56 I CA 1.406 62.590 61.300 -0.194 0.000 1.421 56 I CB -0.068 37.820 38.000 -0.186 0.000 1.079 56 I HN 0.183 nan 8.210 nan 0.000 0.431 57 E N -0.926 119.167 120.200 -0.179 0.000 2.268 57 E HA -0.171 4.177 4.350 -0.002 0.000 0.195 57 E C 1.177 177.548 176.600 -0.381 0.000 0.995 57 E CA 0.798 57.022 56.400 -0.294 0.000 0.836 57 E CB -0.127 29.318 29.700 -0.425 0.000 0.763 57 E HN 0.652 nan 8.360 nan 0.000 0.491 58 H N -0.820 118.224 119.070 -0.042 0.000 2.652 58 H HA 0.240 4.796 4.556 -0.000 0.000 0.274 58 H C 0.206 175.527 175.328 -0.011 0.000 1.021 58 H CA 0.173 56.207 56.048 -0.023 0.000 1.187 58 H CB 0.610 30.355 29.762 -0.028 0.000 1.505 58 H HN 0.033 nan 8.280 nan 0.000 0.530 59 L N 0.725 121.974 121.223 0.043 0.000 2.330 59 L HA 0.324 4.662 4.340 -0.002 0.000 0.271 59 L C 0.198 177.113 176.870 0.075 0.000 1.013 59 L CA -0.668 54.209 54.840 0.061 0.000 0.816 59 L CB 2.130 44.191 42.059 0.003 0.000 1.287 59 L HN -0.151 nan 8.230 nan 0.000 0.435 60 T N 2.570 117.191 114.554 0.112 0.000 2.762 60 T HA 0.301 4.650 4.350 -0.002 0.000 0.303 60 T C -2.477 172.311 174.700 0.146 0.000 0.977 60 T CA -1.189 60.974 62.100 0.104 0.000 0.961 60 T CB 0.868 69.789 68.868 0.088 0.000 0.944 60 T HN 0.217 nan 8.240 nan 0.000 0.481 61 P HA 0.222 nan 4.420 nan 0.000 0.267 61 P C -0.681 176.678 177.300 0.099 0.000 1.205 61 P CA -0.358 62.843 63.100 0.170 0.000 0.765 61 P CB 0.408 32.195 31.700 0.144 0.000 0.828 62 I N 2.425 123.042 120.570 0.079 0.000 2.418 62 I HA 0.369 4.538 4.170 -0.002 0.000 0.287 62 I C 0.484 176.592 176.117 -0.014 0.000 1.008 62 I CA -1.415 59.903 61.300 0.030 0.000 1.104 62 I CB 1.109 39.130 38.000 0.035 0.000 1.264 62 I HN 0.301 nan 8.210 nan 0.000 0.438 63 A N 5.177 127.977 122.820 -0.033 0.000 2.477 63 A HA 0.611 4.930 4.320 -0.002 0.000 0.246 63 A C 0.670 178.202 177.584 -0.087 0.000 1.078 63 A CA -0.226 51.766 52.037 -0.076 0.000 0.770 63 A CB 0.250 19.205 19.000 -0.074 0.000 1.011 63 A HN 0.888 nan 8.150 nan 0.000 0.494 64 A N 2.118 124.861 122.820 -0.129 0.000 2.445 64 A HA 0.508 4.827 4.320 -0.002 0.000 0.242 64 A C -0.008 177.513 177.584 -0.105 0.000 1.075 64 A CA -0.044 51.930 52.037 -0.105 0.000 0.777 64 A CB 0.111 19.037 19.000 -0.123 0.000 1.013 64 A HN 1.163 nan 8.150 nan 0.000 0.493 65 V N 1.711 121.575 119.914 -0.084 0.000 2.540 65 V HA 0.542 4.661 4.120 -0.002 0.000 0.302 65 V C 0.691 176.742 176.094 -0.072 0.000 1.035 65 V CA -0.387 61.864 62.300 -0.081 0.000 0.873 65 V CB 1.417 33.194 31.823 -0.078 0.000 0.992 65 V HN 1.282 nan 8.190 nan 0.000 0.428 66 A N 3.962 126.742 122.820 -0.066 0.000 2.566 66 A HA 0.522 4.841 4.320 -0.002 0.000 0.245 66 A C 0.888 178.439 177.584 -0.055 0.000 1.056 66 A CA 0.569 52.576 52.037 -0.051 0.000 0.757 66 A CB -0.105 18.866 19.000 -0.047 0.000 0.979 66 A HN 1.540 nan 8.150 nan 0.000 0.508 67 A N 3.876 126.663 122.820 -0.055 0.000 2.520 67 A HA 0.482 4.801 4.320 -0.002 0.000 0.245 67 A C 1.122 178.657 177.584 -0.082 0.000 1.072 67 A CA 0.518 52.507 52.037 -0.080 0.000 0.761 67 A CB -0.456 18.484 19.000 -0.100 0.000 1.004 67 A HN 1.545 nan 8.150 nan 0.000 0.499 68 T N 0.178 114.691 114.554 -0.068 0.000 2.788 68 T HA 0.281 4.629 4.350 -0.002 0.000 0.280 68 T C 0.505 175.155 174.700 -0.083 0.000 0.984 68 T CA 0.130 62.196 62.100 -0.057 0.000 0.972 68 T CB 0.509 69.361 68.868 -0.027 0.000 1.039 68 T HN 0.501 nan 8.240 nan 0.000 0.530 69 D N 0.653 121.013 120.400 -0.066 0.000 2.123 69 D HA -0.031 4.607 4.640 -0.002 0.000 0.196 69 D C 2.379 178.646 176.300 -0.056 0.000 0.992 69 D CA 1.797 55.752 54.000 -0.074 0.000 0.833 69 D CB -0.890 39.883 40.800 -0.045 0.000 0.954 69 D HN 0.724 nan 8.370 nan 0.000 0.455 70 A N 1.147 123.952 122.820 -0.025 0.000 1.883 70 A HA -0.235 4.084 4.320 -0.002 0.000 0.217 70 A C 1.846 179.436 177.584 0.009 0.000 1.186 70 A CA 1.985 54.022 52.037 -0.000 0.000 0.624 70 A CB -0.581 18.430 19.000 0.017 0.000 0.822 70 A HN 0.075 nan 8.150 nan 0.000 0.444 71 D N 0.005 120.407 120.400 0.003 0.000 2.092 71 D HA -0.159 4.480 4.640 -0.002 0.000 0.193 71 D C 1.860 178.146 176.300 -0.024 0.000 0.994 71 D CA 1.560 55.571 54.000 0.018 0.000 0.828 71 D CB -0.427 40.361 40.800 -0.020 0.000 0.963 71 D HN 0.534 nan 8.370 nan 0.000 0.450 72 I N 0.512 121.010 120.570 -0.119 0.000 2.286 72 I HA -0.221 3.947 4.170 -0.002 0.000 0.248 72 I C 2.245 178.332 176.117 -0.049 0.000 1.115 72 I CA 0.621 61.806 61.300 -0.192 0.000 1.392 72 I CB -0.134 37.562 38.000 -0.506 0.000 1.065 72 I HN -0.048 nan 8.210 nan 0.000 0.418 73 L N 0.257 121.458 121.223 -0.037 0.000 2.456 73 L HA -0.098 4.241 4.340 -0.002 0.000 0.224 73 L C 2.369 179.250 176.870 0.019 0.000 1.148 73 L CA 0.753 55.593 54.840 0.001 0.000 0.825 73 L CB -0.499 41.562 42.059 0.003 0.000 0.937 73 L HN 0.179 nan 8.230 nan 0.000 0.450 74 R N -0.262 120.253 120.500 0.024 0.000 2.236 74 R HA 0.036 4.375 4.340 -0.002 0.000 0.208 74 R C 1.818 178.107 176.300 -0.019 0.000 1.036 74 R CA 0.966 57.093 56.100 0.046 0.000 1.001 74 R CB -0.025 30.340 30.300 0.107 0.000 0.896 74 R HN 0.331 nan 8.270 nan 0.000 0.464 75 A N -0.367 122.397 122.820 -0.093 0.000 2.226 75 A HA 0.187 4.506 4.320 -0.002 0.000 0.207 75 A C 0.200 177.478 177.584 -0.510 0.000 1.293 75 A CA -0.070 51.771 52.037 -0.326 0.000 0.968 75 A CB 0.414 19.229 19.000 -0.308 0.000 1.044 75 A HN 0.100 nan 8.150 nan 0.000 0.493 76 H N 0.037 119.024 119.070 -0.138 0.000 2.834 76 H HA 0.469 5.024 4.556 -0.002 0.000 0.369 76 H C -0.157 174.844 175.328 -0.545 0.000 1.174 76 H CA -0.020 55.792 56.048 -0.393 0.000 1.165 76 H CB 1.750 31.501 29.762 -0.018 0.000 1.820 76 H HN 0.323 nan 8.280 nan 0.000 0.558 77 S N -0.037 115.291 115.700 -0.621 0.000 2.593 77 S HA 0.275 4.744 4.470 -0.002 0.000 0.269 77 S C 1.379 175.969 174.600 -0.017 0.000 1.334 77 S CA -0.184 57.876 58.200 -0.234 0.000 1.015 77 S CB 1.303 64.432 63.200 -0.117 0.000 0.912 77 S HN 0.754 nan 8.310 nan 0.000 0.541 78 A N 2.120 124.952 122.820 0.019 0.000 1.908 78 A HA 0.091 4.410 4.320 -0.002 0.000 0.218 78 A C 2.401 180.000 177.584 0.025 0.000 1.181 78 A CA 1.857 53.906 52.037 0.021 0.000 0.627 78 A CB -1.685 17.329 19.000 0.023 0.000 0.818 78 A HN 1.378 nan 8.150 nan 0.000 0.445 79 A N -1.321 121.521 122.820 0.038 0.000 1.933 79 A HA -0.227 4.092 4.320 -0.002 0.000 0.218 79 A C 2.120 179.741 177.584 0.062 0.000 1.175 79 A CA 1.766 53.828 52.037 0.042 0.000 0.628 79 A CB -0.941 18.087 19.000 0.046 0.000 0.814 79 A HN 0.806 nan 8.150 nan 0.000 0.444 80 H N -0.806 118.253 119.070 -0.018 0.000 2.326 80 H HA -0.109 4.446 4.556 -0.002 0.000 0.301 80 H C 2.075 177.422 175.328 0.031 0.000 1.081 80 H CA 1.716 57.756 56.048 -0.013 0.000 1.334 80 H CB -0.107 29.635 29.762 -0.033 0.000 1.385 80 H HN 0.363 nan 8.280 nan 0.000 0.504 81 L N 1.639 122.825 121.223 -0.061 0.000 2.012 81 L HA -0.170 4.168 4.340 -0.002 0.000 0.210 81 L C 2.464 179.294 176.870 -0.066 0.000 1.073 81 L CA 2.297 57.099 54.840 -0.063 0.000 0.748 81 L CB -0.828 41.211 42.059 -0.033 0.000 0.891 81 L HN 0.234 nan 8.230 nan 0.000 0.431 82 E N -0.220 119.955 120.200 -0.042 0.000 2.110 82 E HA -0.264 4.085 4.350 -0.002 0.000 0.193 82 E C 2.069 178.640 176.600 -0.049 0.000 0.988 82 E CA 1.517 57.897 56.400 -0.033 0.000 0.804 82 E CB -0.432 29.259 29.700 -0.014 0.000 0.745 82 E HN 0.611 nan 8.360 nan 0.000 0.458 83 N N -0.847 117.813 118.700 -0.066 0.000 2.142 83 N HA -0.116 4.623 4.740 -0.002 0.000 0.186 83 N C 1.489 176.930 175.510 -0.115 0.000 1.023 83 N CA 1.505 54.513 53.050 -0.070 0.000 0.852 83 N CB -0.068 38.397 38.487 -0.037 0.000 0.998 83 N HN 0.135 nan 8.380 nan 0.000 0.424 84 M N 0.689 120.165 119.600 -0.207 0.000 2.117 84 M HA -0.089 4.390 4.480 -0.002 0.000 0.262 84 M C 1.803 178.042 176.300 -0.102 0.000 1.065 84 M CA 1.346 56.519 55.300 -0.212 0.000 1.114 84 M CB -0.951 31.444 32.600 -0.342 0.000 1.361 84 M HN 0.158 nan 8.290 nan 0.000 0.408 85 K N -0.391 119.974 120.400 -0.059 0.000 2.032 85 K HA -0.167 4.152 4.320 -0.002 0.000 0.209 85 K C 2.210 178.789 176.600 -0.036 0.000 1.048 85 K CA 1.286 57.554 56.287 -0.032 0.000 0.927 85 K CB -0.265 32.223 32.500 -0.020 0.000 0.712 85 K HN 0.243 nan 8.250 nan 0.000 0.441 86 R N 0.957 121.433 120.500 -0.040 0.000 2.094 86 R HA -0.175 4.163 4.340 -0.002 0.000 0.239 86 R C 2.106 178.385 176.300 -0.036 0.000 1.137 86 R CA 1.814 57.894 56.100 -0.033 0.000 0.943 86 R CB -0.301 29.981 30.300 -0.030 0.000 0.850 86 R HN 0.021 nan 8.270 nan 0.000 0.433 87 V N -0.095 119.790 119.914 -0.049 0.000 2.358 87 V HA -0.182 3.937 4.120 -0.002 0.000 0.246 87 V C 2.332 178.398 176.094 -0.045 0.000 1.047 87 V CA 1.990 64.261 62.300 -0.048 0.000 1.035 87 V CB -0.420 31.367 31.823 -0.061 0.000 0.658 87 V HN 0.431 nan 8.190 nan 0.000 0.452 88 S N -0.032 115.637 115.700 -0.052 0.000 2.419 88 S HA -0.196 4.272 4.470 -0.002 0.000 0.233 88 S C 1.698 176.281 174.600 -0.028 0.000 1.016 88 S CA 1.906 60.081 58.200 -0.042 0.000 0.974 88 S CB -0.624 62.551 63.200 -0.041 0.000 0.786 88 S HN 0.739 nan 8.310 nan 0.000 0.492 89 N N -0.139 118.545 118.700 -0.026 0.000 2.463 89 N HA 0.107 4.846 4.740 -0.002 0.000 0.181 89 N C -0.603 174.897 175.510 -0.018 0.000 1.078 89 N CA -0.289 52.749 53.050 -0.019 0.000 0.902 89 N CB 0.063 38.539 38.487 -0.017 0.000 0.970 89 N HN 0.226 nan 8.380 nan 0.000 0.451 90 L N 1.842 123.053 121.223 -0.020 0.000 2.485 90 L HA 0.046 4.385 4.340 -0.002 0.000 0.275 90 L C -1.084 175.776 176.870 -0.016 0.000 1.207 90 L CA -1.279 53.550 54.840 -0.017 0.000 0.855 90 L CB 0.187 42.235 42.059 -0.019 0.000 1.114 90 L HN 0.009 nan 8.230 nan 0.000 0.485 91 P HA -0.121 nan 4.420 nan 0.000 0.218 91 P C 0.623 177.916 177.300 -0.012 0.000 1.148 91 P CA 1.441 64.535 63.100 -0.011 0.000 0.822 91 P CB 0.098 31.792 31.700 -0.009 0.000 0.784 92 T N -5.149 109.396 114.554 -0.014 0.000 3.288 92 T HA 0.542 4.891 4.350 -0.002 0.000 0.293 92 T C 0.699 175.387 174.700 -0.020 0.000 1.008 92 T CA 0.001 62.091 62.100 -0.016 0.000 0.929 92 T CB -0.349 68.510 68.868 -0.014 0.000 1.152 92 T HN 0.352 nan 8.240 nan 0.000 0.517 93 G N -0.323 108.464 108.800 -0.021 0.000 2.888 93 G HA2 0.358 4.317 3.960 -0.002 0.000 0.441 93 G HA3 0.358 4.317 3.960 -0.002 0.000 0.441 93 G C -0.083 174.802 174.900 -0.025 0.000 1.461 93 G CA -0.369 44.715 45.100 -0.027 0.000 0.897 93 G HN 1.497 nan 8.290 nan 0.000 0.547 94 G N -1.182 107.601 108.800 -0.030 0.000 2.684 94 G HA2 0.642 4.601 3.960 -0.002 0.000 0.290 94 G HA3 0.642 4.601 3.960 -0.002 0.000 0.290 94 G C -0.983 173.902 174.900 -0.026 0.000 1.425 94 G CA 0.347 45.432 45.100 -0.025 0.000 0.822 94 G HN 1.065 nan 8.290 nan 0.000 0.482 95 D N -0.528 119.861 120.400 -0.020 0.000 2.533 95 D HA 0.222 4.861 4.640 -0.002 0.000 0.236 95 D C 1.897 178.187 176.300 -0.017 0.000 1.137 95 D CA 1.120 55.112 54.000 -0.013 0.000 0.867 95 D CB 0.948 41.746 40.800 -0.003 0.000 1.170 95 D HN 0.408 nan 8.370 nan 0.000 0.474 96 T N 0.631 115.175 114.554 -0.016 0.000 3.081 96 T HA 0.296 4.645 4.350 -0.002 0.000 0.255 96 T C 1.398 176.098 174.700 0.000 0.000 1.113 96 T CA 0.423 62.511 62.100 -0.020 0.000 1.082 96 T CB 0.414 69.263 68.868 -0.031 0.000 0.939 96 T HN 0.591 nan 8.240 nan 0.000 0.506 97 G N 2.082 110.884 108.800 0.004 0.000 3.211 97 G HA2 -0.146 3.813 3.960 -0.002 0.000 0.202 97 G HA3 -0.146 3.813 3.960 -0.002 0.000 0.202 97 G C 0.556 175.459 174.900 0.006 0.000 1.035 97 G CA 0.365 45.468 45.100 0.006 0.000 0.846 97 G HN 0.575 nan 8.290 nan 0.000 0.464 98 D N 1.164 121.569 120.400 0.010 0.000 2.339 98 D HA 0.373 5.012 4.640 -0.002 0.000 0.217 98 D C 1.855 178.166 176.300 0.018 0.000 1.050 98 D CA 0.803 54.810 54.000 0.011 0.000 0.856 98 D CB -0.311 40.497 40.800 0.013 0.000 0.922 98 D HN 1.559 nan 8.370 nan 0.000 0.518 99 G N 0.773 109.583 108.800 0.018 0.000 2.212 99 G HA2 -0.367 3.592 3.960 -0.002 0.000 0.266 99 G HA3 -0.367 3.592 3.960 -0.002 0.000 0.266 99 G C 0.746 175.667 174.900 0.036 0.000 0.978 99 G CA 0.583 45.696 45.100 0.022 0.000 0.632 99 G HN 0.532 nan 8.290 nan 0.000 0.537 100 I N -0.629 119.970 120.570 0.048 0.000 4.338 100 I HA 0.332 4.501 4.170 -0.002 0.000 0.315 100 I C 0.558 176.741 176.117 0.109 0.000 1.262 100 I CA 0.784 62.137 61.300 0.088 0.000 1.298 100 I CB 0.926 38.982 38.000 0.093 0.000 1.257 100 I HN 0.005 nan 8.210 nan 0.000 0.444 101 T N 4.840 119.445 114.554 0.085 0.000 2.727 101 T HA 0.400 4.749 4.350 -0.002 0.000 0.298 101 T C -0.096 174.619 174.700 0.024 0.000 0.942 101 T CA -0.204 61.949 62.100 0.090 0.000 0.997 101 T CB 0.565 69.488 68.868 0.091 0.000 0.917 101 T HN 0.036 nan 8.240 nan 0.000 0.487 102 M N 3.376 122.973 119.600 -0.004 0.000 2.598 102 M HA 0.573 5.052 4.480 -0.002 0.000 0.317 102 M C -0.259 176.007 176.300 -0.057 0.000 1.201 102 M CA -0.748 54.529 55.300 -0.037 0.000 0.971 102 M CB 1.593 34.161 32.600 -0.053 0.000 1.657 102 M HN 0.452 nan 8.290 nan 0.000 0.470 103 M N 0.443 120.006 119.600 -0.060 0.000 2.327 103 M HA 0.501 4.980 4.480 -0.002 0.000 0.298 103 M C 0.269 176.537 176.300 -0.053 0.000 1.065 103 M CA -0.544 54.715 55.300 -0.067 0.000 0.916 103 M CB 2.513 35.062 32.600 -0.085 0.000 1.630 103 M HN 0.881 nan 8.290 nan 0.000 0.442 104 G N 1.593 110.365 108.800 -0.047 0.000 2.667 104 G HA2 0.043 4.002 3.960 -0.002 0.000 0.250 104 G HA3 0.043 4.002 3.960 -0.002 0.000 0.250 104 G C -0.242 174.641 174.900 -0.028 0.000 1.212 104 G CA -0.403 44.676 45.100 -0.034 0.000 0.874 104 G HN 0.832 nan 8.290 nan 0.000 0.561 105 N N -0.336 118.352 118.700 -0.020 0.000 2.411 105 N HA 0.326 5.065 4.740 -0.002 0.000 0.265 105 N C 1.369 176.872 175.510 -0.011 0.000 1.266 105 N CA 1.543 54.583 53.050 -0.016 0.000 0.889 105 N CB 0.273 38.753 38.487 -0.012 0.000 1.069 105 N HN 1.153 nan 8.380 nan 0.000 0.476 106 G N 1.999 110.790 108.800 -0.015 0.000 2.162 106 G HA2 -0.260 3.699 3.960 -0.002 0.000 0.260 106 G HA3 -0.260 3.699 3.960 -0.002 0.000 0.260 106 G C 0.978 175.870 174.900 -0.014 0.000 0.976 106 G CA 0.420 45.514 45.100 -0.011 0.000 0.655 106 G HN 0.884 nan 8.290 nan 0.000 0.533 107 G N 0.091 108.878 108.800 -0.022 0.000 2.498 107 G HA2 0.103 4.061 3.960 -0.002 0.000 0.219 107 G HA3 0.103 4.061 3.960 -0.002 0.000 0.219 107 G C 1.673 176.553 174.900 -0.032 0.000 1.119 107 G CA 1.444 46.527 45.100 -0.028 0.000 0.766 107 G HN 0.970 nan 8.290 nan 0.000 0.552 108 L N 0.921 122.127 121.223 -0.029 0.000 2.127 108 L HA -0.054 4.284 4.340 -0.002 0.000 0.211 108 L C 2.539 179.427 176.870 0.031 0.000 1.089 108 L CA 2.467 57.308 54.840 0.001 0.000 0.757 108 L CB -0.513 41.555 42.059 0.015 0.000 0.899 108 L HN 0.478 nan 8.230 nan 0.000 0.434 109 E N -0.201 120.001 120.200 0.003 0.000 2.070 109 E HA -0.266 4.083 4.350 -0.002 0.000 0.197 109 E C 2.142 178.738 176.600 -0.006 0.000 1.004 109 E CA 2.225 58.619 56.400 -0.010 0.000 0.805 109 E CB -0.272 29.406 29.700 -0.036 0.000 0.744 109 E HN 0.679 nan 8.360 nan 0.000 0.451 110 I N 0.784 121.350 120.570 -0.006 0.000 2.252 110 I HA -0.183 3.985 4.170 -0.002 0.000 0.245 110 I C 2.684 178.837 176.117 0.060 0.000 1.102 110 I CA 0.821 62.131 61.300 0.017 0.000 1.385 110 I CB -0.497 37.511 38.000 0.012 0.000 1.064 110 I HN 0.166 nan 8.210 nan 0.000 0.414 111 A N 1.348 124.195 122.820 0.046 0.000 1.908 111 A HA -0.203 4.116 4.320 -0.002 0.000 0.218 111 A C 2.450 180.176 177.584 0.237 0.000 1.181 111 A CA 1.558 53.653 52.037 0.095 0.000 0.627 111 A CB -0.586 18.391 19.000 -0.039 0.000 0.818 111 A HN 0.331 nan 8.150 nan 0.000 0.445 112 R N -0.788 119.830 120.500 0.196 0.000 2.092 112 R HA 0.013 4.351 4.340 -0.002 0.000 0.231 112 R C 1.974 178.314 176.300 0.066 0.000 1.119 112 R CA 1.305 57.477 56.100 0.120 0.000 0.970 112 R CB -0.435 29.897 30.300 0.054 0.000 0.864 112 R HN 0.503 nan 8.270 nan 0.000 0.440 113 L N -0.065 121.199 121.223 0.067 0.000 2.217 113 L HA -0.118 4.221 4.340 -0.002 0.000 0.211 113 L C 2.590 179.587 176.870 0.212 0.000 1.107 113 L CA 0.833 55.720 54.840 0.079 0.000 0.783 113 L CB -0.300 41.759 42.059 -0.000 0.000 0.919 113 L HN 0.180 nan 8.230 nan 0.000 0.442 114 S N -0.174 115.629 115.700 0.172 0.000 2.345 114 S HA -0.145 4.324 4.470 -0.002 0.000 0.220 114 S C 2.176 176.769 174.600 -0.012 0.000 1.031 114 S CA 1.233 59.410 58.200 -0.038 0.000 0.996 114 S CB -0.079 63.038 63.200 -0.138 0.000 0.882 114 S HN 0.415 nan 8.310 nan 0.000 0.445 115 A N 0.814 123.668 122.820 0.057 0.000 1.902 115 A HA 0.120 4.439 4.320 -0.002 0.000 0.217 115 A C 2.345 179.923 177.584 -0.011 0.000 1.181 115 A CA 1.816 53.879 52.037 0.044 0.000 0.623 115 A CB -1.632 17.415 19.000 0.079 0.000 0.818 115 A HN 0.645 nan 8.150 nan 0.000 0.443 116 G N -0.726 108.066 108.800 -0.013 0.000 2.448 116 G HA2 0.049 4.008 3.960 -0.002 0.000 0.219 116 G HA3 0.049 4.008 3.960 -0.002 0.000 0.219 116 G C 1.440 176.306 174.900 -0.057 0.000 1.127 116 G CA 1.222 46.289 45.100 -0.056 0.000 0.766 116 G HN 0.697 nan 8.290 nan 0.000 0.552 117 G N 1.066 109.866 108.800 -0.001 0.000 2.402 117 G HA2 0.064 4.023 3.960 -0.002 0.000 0.216 117 G HA3 0.064 4.023 3.960 -0.002 0.000 0.216 117 G C 2.026 176.906 174.900 -0.034 0.000 1.162 117 G CA 1.438 46.544 45.100 0.011 0.000 0.777 117 G HN 0.586 nan 8.290 nan 0.000 0.539 118 A N 0.206 122.996 122.820 -0.049 0.000 1.877 118 A HA 0.059 4.377 4.320 -0.002 0.000 0.216 118 A C 2.616 180.148 177.584 -0.087 0.000 1.186 118 A CA 1.898 53.898 52.037 -0.062 0.000 0.620 118 A CB -0.713 18.256 19.000 -0.052 0.000 0.822 118 A HN 0.252 nan 8.150 nan 0.000 0.443 119 V N 0.062 119.896 119.914 -0.134 0.000 2.295 119 V HA -0.213 3.906 4.120 -0.002 0.000 0.246 119 V C 2.651 178.561 176.094 -0.307 0.000 1.049 119 V CA 2.152 64.282 62.300 -0.283 0.000 1.024 119 V CB -0.722 30.867 31.823 -0.391 0.000 0.648 119 V HN 0.500 nan 8.190 nan 0.000 0.447 120 E N -0.134 119.942 120.200 -0.206 0.000 2.077 120 E HA -0.211 4.138 4.350 -0.002 0.000 0.193 120 E C 2.101 178.656 176.600 -0.075 0.000 0.989 120 E CA 1.209 57.523 56.400 -0.143 0.000 0.800 120 E CB -0.436 29.208 29.700 -0.093 0.000 0.746 120 E HN 0.438 nan 8.360 nan 0.000 0.452 121 L N 0.889 122.082 121.223 -0.049 0.000 2.046 121 L HA -0.140 4.199 4.340 -0.002 0.000 0.208 121 L C 2.215 179.088 176.870 0.006 0.000 1.077 121 L CA 1.936 56.773 54.840 -0.004 0.000 0.747 121 L CB -1.011 41.054 42.059 0.009 0.000 0.896 121 L HN 0.047 nan 8.230 nan 0.000 0.432 122 T N -0.337 114.208 114.554 -0.015 0.000 2.708 122 T HA -0.241 4.108 4.350 -0.002 0.000 0.266 122 T C 1.979 176.723 174.700 0.074 0.000 1.037 122 T CA 1.693 63.808 62.100 0.026 0.000 1.146 122 T CB -0.277 68.610 68.868 0.032 0.000 0.865 122 T HN 0.358 nan 8.240 nan 0.000 0.435 123 R N 0.905 121.438 120.500 0.055 0.000 2.096 123 R HA -0.099 4.239 4.340 -0.002 0.000 0.240 123 R C 2.440 178.794 176.300 0.091 0.000 1.139 123 R CA 1.602 57.790 56.100 0.147 0.000 0.952 123 R CB -0.095 30.251 30.300 0.076 0.000 0.854 123 R HN 0.313 nan 8.270 nan 0.000 0.436 124 R N -0.399 120.131 120.500 0.050 0.000 2.193 124 R HA 0.002 4.341 4.340 -0.002 0.000 0.213 124 R C 2.180 178.512 176.300 0.055 0.000 1.055 124 R CA 0.773 56.902 56.100 0.048 0.000 0.995 124 R CB 0.107 30.429 30.300 0.038 0.000 0.893 124 R HN 0.118 nan 8.270 nan 0.000 0.459 125 V N 0.696 120.645 119.914 0.058 0.000 2.379 125 V HA -0.162 3.957 4.120 -0.002 0.000 0.245 125 V C 2.307 178.434 176.094 0.054 0.000 1.044 125 V CA 1.962 64.298 62.300 0.060 0.000 1.036 125 V CB -0.368 31.492 31.823 0.062 0.000 0.664 125 V HN 0.366 nan 8.190 nan 0.000 0.453 126 A N 0.662 123.518 122.820 0.059 0.000 1.968 126 A HA -0.177 4.142 4.320 -0.002 0.000 0.217 126 A C 2.431 180.041 177.584 0.043 0.000 1.169 126 A CA 2.049 54.116 52.037 0.051 0.000 0.638 126 A CB -0.873 18.164 19.000 0.062 0.000 0.812 126 A HN 0.625 nan 8.150 nan 0.000 0.446 127 T N -3.804 110.780 114.554 0.050 0.000 2.929 127 T HA 0.251 4.600 4.350 -0.002 0.000 0.271 127 T C 1.602 176.322 174.700 0.033 0.000 1.085 127 T CA 1.443 63.567 62.100 0.040 0.000 1.125 127 T CB -0.390 68.503 68.868 0.042 0.000 0.874 127 T HN 1.699 nan 8.240 nan 0.000 0.494 128 G N 0.812 109.634 108.800 0.037 0.000 2.175 128 G HA2 -0.299 3.660 3.960 -0.002 0.000 0.244 128 G HA3 -0.299 3.660 3.960 -0.002 0.000 0.244 128 G C 0.614 175.537 174.900 0.039 0.000 0.982 128 G CA 0.597 45.719 45.100 0.036 0.000 0.641 128 G HN 0.580 nan 8.290 nan 0.000 0.527 129 E N -0.348 119.876 120.200 0.041 0.000 2.058 129 E HA 0.004 4.353 4.350 -0.002 0.000 0.194 129 E C 0.981 177.610 176.600 0.049 0.000 0.997 129 E CA 0.827 57.252 56.400 0.041 0.000 0.801 129 E CB -0.065 29.659 29.700 0.040 0.000 0.746 129 E HN 0.625 nan 8.360 nan 0.000 0.450 130 L N -0.031 121.226 121.223 0.056 0.000 2.330 130 L HA 0.189 4.528 4.340 -0.002 0.000 0.271 130 L C 1.363 178.275 176.870 0.070 0.000 1.013 130 L CA -0.375 54.506 54.840 0.068 0.000 0.816 130 L CB 1.876 43.982 42.059 0.079 0.000 1.287 130 L HN -0.015 nan 8.230 nan 0.000 0.435 131 S N 0.417 116.164 115.700 0.078 0.000 2.425 131 S HA 0.397 4.866 4.470 -0.002 0.000 0.225 131 S C 0.559 175.218 174.600 0.099 0.000 1.024 131 S CA 0.380 58.629 58.200 0.080 0.000 0.951 131 S CB 0.219 63.467 63.200 0.080 0.000 0.796 131 S HN 0.807 nan 8.310 nan 0.000 0.498 132 A N -0.951 121.941 122.820 0.120 0.000 2.483 132 A HA 0.774 5.093 4.320 -0.002 0.000 0.294 132 A C -0.301 177.390 177.584 0.180 0.000 1.077 132 A CA -0.390 51.741 52.037 0.157 0.000 0.633 132 A CB 0.470 19.588 19.000 0.196 0.000 1.318 132 A HN 1.353 nan 8.150 nan 0.000 0.455 133 G N -1.906 107.036 108.800 0.237 0.000 2.451 133 G HA2 0.578 4.537 3.960 -0.002 0.000 0.292 133 G HA3 0.578 4.537 3.960 -0.002 0.000 0.292 133 G C -2.398 172.704 174.900 0.336 0.000 1.427 133 G CA -0.345 44.911 45.100 0.260 0.000 0.792 133 G HN 1.616 nan 8.290 nan 0.000 0.498 134 Y N 0.688 121.132 120.300 0.238 0.000 2.338 134 Y HA 0.651 5.200 4.550 -0.001 0.000 0.333 134 Y C 0.075 176.060 175.900 0.141 0.000 0.968 134 Y CA -0.642 57.607 58.100 0.248 0.000 1.123 134 Y CB 1.924 40.542 38.460 0.263 0.000 1.165 134 Y HN 0.865 nan 8.280 nan 0.000 0.452 135 A N 6.285 129.129 122.820 0.039 0.000 2.341 135 A HA 0.444 4.763 4.320 -0.002 0.000 0.326 135 A C -1.175 176.470 177.584 0.101 0.000 1.402 135 A CA -0.599 51.456 52.037 0.030 0.000 0.957 135 A CB -0.028 18.947 19.000 -0.042 0.000 1.151 135 A HN 0.677 nan 8.150 nan 0.000 0.533 136 L N 5.720 127.053 121.223 0.184 0.000 2.423 136 L HA 0.363 4.702 4.340 -0.002 0.000 0.249 136 L C 0.237 177.172 176.870 0.110 0.000 1.276 136 L CA -0.060 54.946 54.840 0.276 0.000 1.199 136 L CB -0.384 41.765 42.059 0.151 0.000 1.407 136 L HN 0.549 nan 8.230 nan 0.000 0.410 137 V N 1.289 121.086 119.914 -0.194 0.000 2.997 137 V HA 0.609 4.728 4.120 -0.002 0.000 0.311 137 V C -0.148 175.589 176.094 -0.595 0.000 1.066 137 V CA -0.707 61.095 62.300 -0.830 0.000 1.039 137 V CB 1.620 33.081 31.823 -0.603 0.000 1.081 137 V HN 0.806 nan 8.190 nan 0.000 0.467 138 N N 1.753 119.938 118.700 -0.858 0.000 2.521 138 N HA 0.401 5.140 4.740 -0.002 0.000 0.269 138 N C -3.286 172.066 175.510 -0.262 0.000 1.079 138 N CA -1.022 51.833 53.050 -0.325 0.000 0.980 138 N CB 3.008 41.432 38.487 -0.106 0.000 1.667 138 N HN 0.614 nan 8.380 nan 0.000 0.498 139 P HA 0.302 nan 4.420 nan 0.000 0.274 139 P C -2.743 174.542 177.300 -0.026 0.000 1.237 139 P CA -0.869 62.207 63.100 -0.038 0.000 0.793 139 P CB 0.492 32.187 31.700 -0.009 0.000 0.977 140 P HA 0.123 nan 4.420 nan 0.000 0.277 140 P C 0.453 177.810 177.300 0.095 0.000 1.276 140 P CA 0.131 63.267 63.100 0.059 0.000 0.788 140 P CB 0.468 32.244 31.700 0.127 0.000 1.114 141 G N -1.472 107.385 108.800 0.095 0.000 2.649 141 G HA2 -0.033 3.925 3.960 -0.002 0.000 0.199 141 G HA3 -0.033 3.925 3.960 -0.002 0.000 0.199 141 G C 1.146 176.162 174.900 0.194 0.000 1.085 141 G CA 0.325 45.513 45.100 0.147 0.000 0.804 141 G HN 0.737 nan 8.290 nan 0.000 0.671 142 H N -1.482 117.559 119.070 -0.050 0.000 2.521 142 H HA 0.115 4.670 4.556 -0.002 0.000 0.286 142 H C 1.868 177.124 175.328 -0.122 0.000 1.034 142 H CA 0.849 56.836 56.048 -0.101 0.000 1.278 142 H CB -0.094 29.576 29.762 -0.153 0.000 1.386 142 H HN 0.269 nan 8.280 nan 0.000 0.567 143 H N 1.084 120.145 119.070 -0.015 0.000 2.535 143 H HA 0.323 4.877 4.556 -0.002 0.000 0.273 143 H C 0.834 176.129 175.328 -0.056 0.000 0.983 143 H CA 0.535 56.503 56.048 -0.133 0.000 1.238 143 H CB -0.023 29.703 29.762 -0.060 0.000 1.412 143 H HN 0.509 nan 8.280 nan 0.000 0.562 144 A N 4.152 127.049 122.820 0.128 0.000 2.396 144 A HA 0.254 4.572 4.320 -0.002 0.000 0.279 144 A C -1.951 175.691 177.584 0.097 0.000 1.165 144 A CA -1.059 51.034 52.037 0.094 0.000 0.824 144 A CB 0.310 19.393 19.000 0.139 0.000 1.100 144 A HN 0.093 nan 8.150 nan 0.000 0.516 145 P HA 0.132 nan 4.420 nan 0.000 0.306 145 P C 0.553 177.863 177.300 0.015 0.000 1.309 145 P CA -0.227 62.862 63.100 -0.018 0.000 0.759 145 P CB 0.613 32.278 31.700 -0.059 0.000 1.314 146 H N -0.275 118.718 119.070 -0.128 0.000 2.390 146 H HA -0.129 4.426 4.556 -0.002 0.000 0.298 146 H C 1.285 176.632 175.328 0.032 0.000 1.106 146 H CA 2.247 58.225 56.048 -0.117 0.000 1.297 146 H CB -0.070 29.598 29.762 -0.157 0.000 1.375 146 H HN 0.361 nan 8.280 nan 0.000 0.509 147 N N -0.462 118.208 118.700 -0.049 0.000 2.291 147 N HA 0.313 5.052 4.740 -0.002 0.000 0.244 147 N C -1.197 174.215 175.510 -0.164 0.000 1.216 147 N CA 0.438 53.437 53.050 -0.085 0.000 0.879 147 N CB 0.553 39.058 38.487 0.030 0.000 1.167 147 N HN 0.344 nan 8.380 nan 0.000 0.515 148 A N -0.041 122.544 122.820 -0.392 0.000 2.610 148 A HA 0.739 5.058 4.320 -0.002 0.000 0.291 148 A C -1.350 175.955 177.584 -0.464 0.000 1.086 148 A CA -0.574 51.267 52.037 -0.327 0.000 0.677 148 A CB 1.044 19.975 19.000 -0.114 0.000 1.278 148 A HN 0.146 nan 8.150 nan 0.000 0.414 149 A N 0.766 123.529 122.820 -0.095 0.000 2.304 149 A HA 0.843 5.162 4.320 -0.002 0.000 0.301 149 A C -0.205 177.376 177.584 -0.006 0.000 1.132 149 A CA -0.093 51.939 52.037 -0.008 0.000 0.819 149 A CB 0.626 19.656 19.000 0.051 0.000 1.094 149 A HN 1.739 nan 8.150 nan 0.000 0.492 150 M N 1.577 121.193 119.600 0.026 0.000 2.490 150 M HA 0.493 4.972 4.480 -0.002 0.000 0.286 150 M C 0.255 176.602 176.300 0.078 0.000 1.185 150 M CA 0.758 56.079 55.300 0.036 0.000 0.912 150 M CB 1.735 34.340 32.600 0.007 0.000 1.744 150 M HN 2.039 nan 8.290 nan 0.000 0.494 151 G N 3.320 112.108 108.800 -0.019 0.000 2.366 151 G HA2 -0.270 3.689 3.960 -0.002 0.000 0.299 151 G HA3 -0.270 3.689 3.960 -0.002 0.000 0.299 151 G C 0.105 174.888 174.900 -0.195 0.000 1.020 151 G CA 0.816 45.755 45.100 -0.268 0.000 1.026 151 G HN 1.260 nan 8.290 nan 0.000 0.512 152 F N -4.709 115.289 119.950 0.080 0.000 2.544 152 F HA -0.292 4.234 4.527 -0.002 0.000 0.389 152 F C 1.194 177.034 175.800 0.068 0.000 0.588 152 F CA 0.067 58.108 58.000 0.068 0.000 1.461 152 F CB -2.025 37.045 39.000 0.117 0.000 1.995 152 F HN 0.539 nan 8.300 nan 0.000 0.282 153 C N 2.184 121.616 119.300 0.221 0.000 2.281 153 C HA 0.498 4.957 4.460 -0.002 0.000 0.325 153 C C 1.783 176.793 174.990 0.033 0.000 1.282 153 C CA -0.883 58.222 59.018 0.145 0.000 1.640 153 C CB 0.652 28.506 27.740 0.189 0.000 2.288 153 C HN 0.228 nan 8.230 nan 0.000 0.507 154 I N 0.764 121.288 120.570 -0.077 0.000 2.385 154 I HA 0.221 4.390 4.170 -0.002 0.000 0.244 154 I C 0.466 176.329 176.117 -0.424 0.000 1.089 154 I CA 1.160 62.264 61.300 -0.327 0.000 1.410 154 I CB -0.652 37.016 38.000 -0.554 0.000 1.117 154 I HN 0.476 nan 8.210 nan 0.000 0.429 155 F N 0.421 120.395 119.950 0.041 0.000 2.577 155 F HA 0.364 4.890 4.527 -0.002 0.000 0.318 155 F C 0.834 176.760 175.800 0.210 0.000 1.065 155 F CA -0.997 57.040 58.000 0.061 0.000 0.929 155 F CB 1.066 40.101 39.000 0.058 0.000 1.237 155 F HN -0.132 nan 8.300 nan 0.000 0.468 156 N N 2.663 121.763 118.700 0.666 0.000 2.605 156 N HA 0.004 4.743 4.740 -0.002 0.000 0.258 156 N C 0.526 176.196 175.510 0.266 0.000 1.156 156 N CA 0.130 53.397 53.050 0.361 0.000 1.008 156 N CB -0.000 38.631 38.487 0.241 0.000 1.354 156 N HN 0.628 nan 8.380 nan 0.000 0.509 157 N N 1.049 119.867 118.700 0.196 0.000 2.037 157 N HA -0.207 4.531 4.740 -0.002 0.000 0.196 157 N C 1.621 177.181 175.510 0.083 0.000 1.034 157 N CA 2.231 55.350 53.050 0.115 0.000 0.861 157 N CB -0.580 37.932 38.487 0.040 0.000 1.039 157 N HN 0.612 nan 8.380 nan 0.000 0.427 158 T N -1.888 112.707 114.554 0.068 0.000 2.867 158 T HA 0.043 4.392 4.350 -0.002 0.000 0.268 158 T C 2.100 176.876 174.700 0.126 0.000 1.057 158 T CA 1.247 63.372 62.100 0.042 0.000 1.136 158 T CB -0.339 68.524 68.868 -0.008 0.000 0.874 158 T HN 0.028 nan 8.240 nan 0.000 0.466 159 S N 0.983 116.818 115.700 0.226 0.000 2.406 159 S HA 0.033 4.502 4.470 -0.002 0.000 0.228 159 S C 2.205 177.006 174.600 0.334 0.000 1.020 159 S CA 0.767 59.221 58.200 0.424 0.000 0.965 159 S CB -0.440 62.994 63.200 0.390 0.000 0.798 159 S HN 0.392 nan 8.310 nan 0.000 0.488 160 V N 2.192 122.220 119.914 0.190 0.000 2.343 160 V HA -0.199 3.920 4.120 -0.002 0.000 0.247 160 V C 2.678 178.865 176.094 0.155 0.000 1.051 160 V CA 1.735 64.122 62.300 0.144 0.000 1.036 160 V CB -1.208 30.667 31.823 0.087 0.000 0.654 160 V HN 0.535 nan 8.190 nan 0.000 0.451 161 A N 0.015 122.903 122.820 0.113 0.000 1.902 161 A HA -0.115 4.203 4.320 -0.002 0.000 0.217 161 A C 2.426 180.093 177.584 0.138 0.000 1.181 161 A CA 2.137 54.229 52.037 0.091 0.000 0.623 161 A CB -0.805 18.207 19.000 0.021 0.000 0.818 161 A HN 0.568 nan 8.150 nan 0.000 0.443 162 A N -0.512 122.372 122.820 0.108 0.000 1.902 162 A HA 0.140 4.459 4.320 -0.002 0.000 0.217 162 A C 2.421 180.049 177.584 0.074 0.000 1.181 162 A CA 1.891 53.930 52.037 0.004 0.000 0.623 162 A CB -1.399 17.483 19.000 -0.196 0.000 0.818 162 A HN 0.741 nan 8.150 nan 0.000 0.443 163 G N -1.703 107.267 108.800 0.284 0.000 2.440 163 G HA2 -0.293 3.666 3.960 -0.002 0.000 0.218 163 G HA3 -0.293 3.666 3.960 -0.002 0.000 0.218 163 G C 1.547 176.565 174.900 0.197 0.000 1.154 163 G CA 1.267 46.568 45.100 0.335 0.000 0.767 163 G HN 0.596 nan 8.290 nan 0.000 0.552 164 Y N 1.874 122.218 120.300 0.074 0.000 2.128 164 Y HA -0.055 4.494 4.550 -0.002 0.000 0.284 164 Y C 2.972 178.882 175.900 0.017 0.000 1.154 164 Y CA 1.774 59.895 58.100 0.035 0.000 1.149 164 Y CB -0.280 38.193 38.460 0.022 0.000 0.976 164 Y HN 0.250 nan 8.280 nan 0.000 0.505 165 A N 0.590 123.471 122.820 0.103 0.000 1.940 165 A HA -0.176 4.143 4.320 -0.002 0.000 0.219 165 A C 2.276 179.812 177.584 -0.080 0.000 1.176 165 A CA 1.640 53.677 52.037 0.000 0.000 0.631 165 A CB -0.468 18.549 19.000 0.028 0.000 0.814 165 A HN 0.417 nan 8.150 nan 0.000 0.446 166 R N -0.795 119.672 120.500 -0.055 0.000 2.055 166 R HA 0.051 4.389 4.340 -0.002 0.000 0.226 166 R C 2.456 178.716 176.300 -0.066 0.000 1.135 166 R CA 1.479 57.546 56.100 -0.054 0.000 0.959 166 R CB -0.944 29.348 30.300 -0.014 0.000 0.854 166 R HN 0.499 nan 8.270 nan 0.000 0.431 167 A N 0.222 123.002 122.820 -0.065 0.000 1.935 167 A HA 0.007 4.326 4.320 -0.002 0.000 0.214 167 A C 2.268 179.762 177.584 -0.151 0.000 1.178 167 A CA 0.906 52.899 52.037 -0.074 0.000 0.640 167 A CB -0.032 18.954 19.000 -0.024 0.000 0.825 167 A HN 0.102 nan 8.150 nan 0.000 0.447 168 V N -0.407 119.326 119.914 -0.302 0.000 2.581 168 V HA 0.023 4.141 4.120 -0.002 0.000 0.240 168 V C 2.089 177.982 176.094 -0.336 0.000 1.054 168 V CA 1.063 63.121 62.300 -0.403 0.000 1.076 168 V CB -0.520 30.817 31.823 -0.809 0.000 0.748 168 V HN 0.487 nan 8.190 nan 0.000 0.474 169 L N 0.875 121.887 121.223 -0.352 0.000 2.558 169 L HA 0.350 4.688 4.340 -0.002 0.000 0.225 169 L C 1.779 178.581 176.870 -0.113 0.000 1.128 169 L CA 0.851 55.578 54.840 -0.188 0.000 0.868 169 L CB -0.685 41.297 42.059 -0.128 0.000 1.006 169 L HN 0.549 nan 8.230 nan 0.000 0.454 170 G N 0.583 109.315 108.800 -0.114 0.000 2.168 170 G HA2 -0.317 3.642 3.960 -0.002 0.000 0.257 170 G HA3 -0.317 3.642 3.960 -0.002 0.000 0.257 170 G C 0.334 175.193 174.900 -0.069 0.000 0.997 170 G CA 0.042 45.095 45.100 -0.079 0.000 0.708 170 G HN 0.295 nan 8.290 nan 0.000 0.520 171 M N 0.155 119.712 119.600 -0.072 0.000 2.219 171 M HA 0.207 4.685 4.480 -0.002 0.000 0.353 171 M C 1.324 177.578 176.300 -0.077 0.000 1.304 171 M CA 0.018 55.277 55.300 -0.069 0.000 1.115 171 M CB 0.578 33.140 32.600 -0.064 0.000 1.664 171 M HN 0.016 nan 8.290 nan 0.000 0.459 172 E N 2.432 122.580 120.200 -0.087 0.000 2.230 172 E HA 0.059 4.407 4.350 -0.002 0.000 0.192 172 E C -0.023 176.504 176.600 -0.122 0.000 0.987 172 E CA 0.949 57.290 56.400 -0.098 0.000 0.841 172 E CB 0.359 29.995 29.700 -0.106 0.000 0.783 172 E HN 0.583 nan 8.360 nan 0.000 0.481 173 R N -0.388 120.033 120.500 -0.133 0.000 2.564 173 R HA 0.505 4.844 4.340 -0.002 0.000 0.284 173 R C -1.209 175.065 176.300 -0.043 0.000 1.031 173 R CA -0.420 55.602 56.100 -0.129 0.000 0.904 173 R CB 2.607 32.674 30.300 -0.389 0.000 1.199 173 R HN -0.208 nan 8.270 nan 0.000 0.443 174 V N 1.217 121.141 119.914 0.016 0.000 2.789 174 V HA 0.809 4.927 4.120 -0.002 0.000 0.311 174 V C -0.676 175.415 176.094 -0.005 0.000 1.073 174 V CA -0.957 61.322 62.300 -0.035 0.000 0.921 174 V CB 2.047 33.769 31.823 -0.169 0.000 1.009 174 V HN 0.904 nan 8.190 nan 0.000 0.426 175 A N 4.584 127.387 122.820 -0.030 0.000 2.342 175 A HA 0.910 5.228 4.320 -0.002 0.000 0.323 175 A C -0.839 176.650 177.584 -0.159 0.000 1.125 175 A CA -0.522 51.445 52.037 -0.118 0.000 0.785 175 A CB 0.798 19.766 19.000 -0.054 0.000 1.221 175 A HN 0.768 nan 8.150 nan 0.000 0.463 176 I N 2.951 123.413 120.570 -0.180 0.000 2.354 176 I HA 0.247 4.416 4.170 -0.002 0.000 0.286 176 I C -0.825 175.219 176.117 -0.121 0.000 1.007 176 I CA -0.587 60.621 61.300 -0.154 0.000 1.167 176 I CB 1.530 39.460 38.000 -0.117 0.000 1.320 176 I HN 0.547 nan 8.210 nan 0.000 0.458 177 L N 7.163 128.289 121.223 -0.161 0.000 2.265 177 L HA 0.475 4.813 4.340 -0.002 0.000 0.289 177 L C -0.632 176.131 176.870 -0.179 0.000 1.033 177 L CA 0.137 54.904 54.840 -0.122 0.000 0.814 177 L CB 0.937 42.921 42.059 -0.125 0.000 1.203 177 L HN 0.433 nan 8.230 nan 0.000 0.423 178 D N 4.595 124.979 120.400 -0.027 0.000 2.441 178 D HA 0.209 4.848 4.640 -0.002 0.000 0.231 178 D C -0.274 176.136 176.300 0.183 0.000 1.073 178 D CA -0.497 53.498 54.000 -0.010 0.000 0.850 178 D CB 0.685 41.548 40.800 0.105 0.000 1.062 178 D HN 0.600 nan 8.370 nan 0.000 0.524 179 W N 3.423 124.797 121.300 0.123 0.000 2.991 179 W HA 0.361 5.020 4.660 -0.003 0.000 0.391 179 W C 0.050 176.682 176.519 0.188 0.000 1.054 179 W CA -0.973 56.503 57.345 0.217 0.000 1.856 179 W CB -0.824 28.802 29.460 0.276 0.000 1.132 179 W HN 0.147 nan 8.180 nan 0.000 0.601 180 D N 1.645 122.227 120.400 0.304 0.000 2.506 180 D HA -0.142 4.497 4.640 -0.002 0.000 0.234 180 D C 1.317 177.834 176.300 0.361 0.000 1.143 180 D CA 0.459 54.593 54.000 0.224 0.000 0.871 180 D CB 2.156 42.898 40.800 -0.096 0.000 1.190 180 D HN 0.060 nan 8.370 nan 0.000 0.459 181 V N 4.304 124.379 119.914 0.268 0.000 2.867 181 V HA -0.167 3.952 4.120 -0.002 0.000 0.260 181 V C 0.343 176.513 176.094 0.128 0.000 1.099 181 V CA 1.478 63.889 62.300 0.186 0.000 1.122 181 V CB -0.618 31.227 31.823 0.037 0.000 0.708 181 V HN 0.508 nan 8.190 nan 0.000 0.490 182 H N -0.883 118.483 119.070 0.493 0.000 2.496 182 H HA 0.363 4.917 4.556 -0.002 0.000 0.342 182 H C 0.238 175.808 175.328 0.403 0.000 1.170 182 H CA -0.499 55.838 56.048 0.482 0.000 1.274 182 H CB 0.449 30.568 29.762 0.595 0.000 1.538 182 H HN 0.345 nan 8.280 nan 0.000 0.542 183 H N 1.114 120.276 119.070 0.154 0.000 2.848 183 H HA 0.047 4.602 4.556 -0.002 0.000 0.317 183 H C 0.408 175.645 175.328 -0.151 0.000 1.046 183 H CA -0.437 55.460 56.048 -0.251 0.000 1.470 183 H CB 0.507 29.901 29.762 -0.614 0.000 1.483 183 H HN 0.946 nan 8.280 nan 0.000 0.548 184 G N 5.402 113.940 108.800 -0.437 0.000 3.197 184 G HA2 -0.155 3.804 3.960 -0.002 0.000 0.257 184 G HA3 -0.155 3.804 3.960 -0.002 0.000 0.257 184 G C 1.234 175.724 174.900 -0.684 0.000 0.835 184 G CA -0.248 44.546 45.100 -0.512 0.000 2.001 184 G HN 0.868 nan 8.290 nan 0.000 0.625 185 N N 0.925 119.117 118.700 -0.846 0.000 2.289 185 N HA -0.113 4.625 4.740 -0.002 0.000 0.184 185 N C 2.014 177.398 175.510 -0.210 0.000 1.016 185 N CA 1.376 54.107 53.050 -0.531 0.000 0.872 185 N CB -0.396 37.922 38.487 -0.282 0.000 0.973 185 N HN 0.281 nan 8.380 nan 0.000 0.433 186 G N 0.612 109.322 108.800 -0.150 0.000 2.404 186 G HA2 -0.189 3.770 3.960 -0.002 0.000 0.215 186 G HA3 -0.189 3.770 3.960 -0.002 0.000 0.215 186 G C 1.514 176.401 174.900 -0.021 0.000 1.174 186 G CA 1.437 46.503 45.100 -0.055 0.000 0.780 186 G HN 0.401 nan 8.290 nan 0.000 0.537 187 T N 0.561 115.129 114.554 0.023 0.000 2.708 187 T HA -0.187 4.162 4.350 -0.002 0.000 0.266 187 T C 2.273 177.104 174.700 0.218 0.000 1.037 187 T CA 1.636 63.831 62.100 0.159 0.000 1.146 187 T CB -0.328 68.646 68.868 0.177 0.000 0.865 187 T HN 0.460 nan 8.240 nan 0.000 0.435 188 Q N 0.970 120.856 119.800 0.144 0.000 2.077 188 Q HA -0.250 4.089 4.340 -0.002 0.000 0.206 188 Q C 2.085 178.245 176.000 0.266 0.000 0.989 188 Q CA 2.276 58.235 55.803 0.259 0.000 0.853 188 Q CB -0.315 28.573 28.738 0.250 0.000 0.907 188 Q HN 0.576 nan 8.270 nan 0.000 0.418 189 D N -0.307 120.127 120.400 0.057 0.000 2.104 189 D HA -0.171 4.468 4.640 -0.002 0.000 0.194 189 D C 1.820 178.103 176.300 -0.028 0.000 0.994 189 D CA 1.714 55.686 54.000 -0.047 0.000 0.830 189 D CB -0.148 40.579 40.800 -0.123 0.000 0.959 189 D HN 0.426 nan 8.370 nan 0.000 0.452 190 I N -0.911 119.577 120.570 -0.136 0.000 2.286 190 I HA -0.156 4.013 4.170 -0.002 0.000 0.248 190 I C 1.025 176.831 176.117 -0.518 0.000 1.115 190 I CA 0.902 61.935 61.300 -0.445 0.000 1.392 190 I CB -0.154 37.408 38.000 -0.731 0.000 1.065 190 I HN 0.215 nan 8.210 nan 0.000 0.418 191 W N -0.564 120.798 121.300 0.103 0.000 3.102 191 W HA 0.115 4.774 4.660 -0.002 0.000 0.401 191 W C 1.854 178.471 176.519 0.164 0.000 1.070 191 W CA -0.741 56.661 57.345 0.097 0.000 1.921 191 W CB -0.424 29.070 29.460 0.057 0.000 1.118 191 W HN 0.170 nan 8.180 nan 0.000 0.647 192 W N 1.915 123.282 121.300 0.112 0.000 2.304 192 W HA -0.273 4.386 4.660 -0.002 0.000 0.315 192 W C 0.838 177.422 176.519 0.108 0.000 1.233 192 W CA 1.627 59.029 57.345 0.096 0.000 1.261 192 W CB -0.176 29.306 29.460 0.038 0.000 1.150 192 W HN -0.114 nan 8.180 nan 0.000 0.494 193 N N 0.462 119.284 118.700 0.204 0.000 2.314 193 N HA -0.029 4.710 4.740 -0.002 0.000 0.200 193 N C -0.900 174.658 175.510 0.080 0.000 1.135 193 N CA 0.717 53.816 53.050 0.081 0.000 0.835 193 N CB -0.072 38.484 38.487 0.114 0.000 0.989 193 N HN 0.033 nan 8.380 nan 0.000 0.478 194 D N 0.727 121.207 120.400 0.133 0.000 2.469 194 D HA 0.203 4.842 4.640 -0.002 0.000 0.251 194 D C -1.920 174.416 176.300 0.061 0.000 1.173 194 D CA -1.905 52.180 54.000 0.142 0.000 0.882 194 D CB 2.271 43.262 40.800 0.319 0.000 1.129 194 D HN -0.044 nan 8.370 nan 0.000 0.549 195 P HA -0.033 nan 4.420 nan 0.000 0.241 195 P C 0.926 178.082 177.300 -0.240 0.000 1.191 195 P CA 0.317 63.197 63.100 -0.367 0.000 0.771 195 P CB 0.196 31.547 31.700 -0.581 0.000 0.929 196 S N -1.404 114.241 115.700 -0.092 0.000 2.561 196 S HA 0.080 4.549 4.470 -0.002 0.000 0.225 196 S C 0.697 175.248 174.600 -0.081 0.000 0.977 196 S CA -0.037 58.127 58.200 -0.061 0.000 0.926 196 S CB -0.642 62.523 63.200 -0.059 0.000 0.769 196 S HN -0.073 nan 8.310 nan 0.000 0.533 197 V N 2.548 122.356 119.914 -0.177 0.000 2.409 197 V HA 0.484 4.603 4.120 -0.002 0.000 0.290 197 V C -0.661 175.254 176.094 -0.298 0.000 1.017 197 V CA -0.893 61.163 62.300 -0.406 0.000 0.841 197 V CB 1.404 32.507 31.823 -1.200 0.000 1.003 197 V HN 0.463 nan 8.190 nan 0.000 0.426 198 L N 6.044 127.003 121.223 -0.440 0.000 2.290 198 L HA 0.687 5.026 4.340 -0.002 0.000 0.284 198 L C 0.562 177.262 176.870 -0.284 0.000 1.078 198 L CA 0.697 55.226 54.840 -0.518 0.000 0.815 198 L CB 1.403 42.762 42.059 -1.167 0.000 1.162 198 L HN 0.839 nan 8.230 nan 0.000 0.435 199 T N 3.905 118.387 114.554 -0.121 0.000 2.779 199 T HA 0.717 5.066 4.350 -0.002 0.000 0.280 199 T C -0.206 174.502 174.700 0.013 0.000 0.987 199 T CA -0.486 61.604 62.100 -0.017 0.000 0.966 199 T CB 0.652 69.589 68.868 0.116 0.000 0.933 199 T HN 0.477 nan 8.240 nan 0.000 0.442 200 I N 2.332 122.916 120.570 0.023 0.000 2.498 200 I HA 0.561 4.730 4.170 -0.002 0.000 0.290 200 I C -0.124 176.077 176.117 0.139 0.000 1.032 200 I CA -0.844 60.495 61.300 0.063 0.000 1.073 200 I CB 2.302 40.317 38.000 0.025 0.000 1.251 200 I HN 0.690 nan 8.210 nan 0.000 0.426 201 S N 7.047 122.883 115.700 0.226 0.000 2.647 201 S HA 0.640 5.108 4.470 -0.002 0.000 0.300 201 S C -0.895 173.903 174.600 0.331 0.000 1.129 201 S CA -0.591 57.826 58.200 0.362 0.000 1.029 201 S CB 0.727 64.249 63.200 0.537 0.000 1.007 201 S HN 0.464 nan 8.310 nan 0.000 0.484 202 L N 7.226 128.623 121.223 0.291 0.000 2.292 202 L HA 0.661 5.000 4.340 -0.002 0.000 0.284 202 L C 0.148 177.174 176.870 0.261 0.000 1.065 202 L CA -0.621 54.294 54.840 0.126 0.000 0.806 202 L CB 0.749 42.929 42.059 0.201 0.000 1.175 202 L HN 0.756 nan 8.230 nan 0.000 0.431 203 H N 1.416 120.597 119.070 0.184 0.000 3.037 203 H HA 0.166 4.720 4.556 -0.002 0.000 0.336 203 H C -1.490 173.935 175.328 0.162 0.000 1.323 203 H CA -1.013 55.170 56.048 0.225 0.000 1.159 203 H CB 1.523 31.444 29.762 0.266 0.000 1.882 203 H HN 0.562 nan 8.280 nan 0.000 0.535 204 Q N 1.614 121.596 119.800 0.304 0.000 2.274 204 Q HA -0.017 4.321 4.340 -0.002 0.000 0.280 204 Q C -0.538 175.629 176.000 0.279 0.000 1.047 204 Q CA -0.148 55.791 55.803 0.226 0.000 0.907 204 Q CB 0.306 29.157 28.738 0.188 0.000 1.171 204 Q HN 0.579 nan 8.270 nan 0.000 0.381 205 H N 5.303 124.432 119.070 0.098 0.000 3.046 205 H HA -0.018 4.537 4.556 -0.002 0.000 0.303 205 H C 0.345 175.688 175.328 0.025 0.000 1.002 205 H CA 1.081 57.162 56.048 0.056 0.000 1.460 205 H CB -0.054 29.694 29.762 -0.024 0.000 1.493 205 H HN 0.813 nan 8.280 nan 0.000 0.559 206 L N 3.118 124.102 121.223 -0.400 0.000 4.001 206 L HA -0.408 3.930 4.340 -0.002 0.000 0.413 206 L C 1.912 178.736 176.870 -0.077 0.000 1.185 206 L CA 0.647 55.272 54.840 -0.358 0.000 0.963 206 L CB -2.300 39.458 42.059 -0.502 0.000 1.976 206 L HN 0.657 nan 8.230 nan 0.000 0.939 207 C N -0.152 119.194 119.300 0.077 0.000 2.508 207 C HA 0.108 4.566 4.460 -0.002 0.000 0.280 207 C C 0.971 176.169 174.990 0.347 0.000 1.262 207 C CA 1.307 60.459 59.018 0.224 0.000 1.706 207 C CB 0.003 27.920 27.740 0.295 0.000 2.078 207 C HN 0.502 nan 8.230 nan 0.000 0.480 208 F N 0.682 120.752 119.950 0.199 0.000 2.639 208 F HA 0.525 5.050 4.527 -0.002 0.000 0.320 208 F C -2.719 173.090 175.800 0.015 0.000 1.128 208 F CA -1.696 56.315 58.000 0.019 0.000 1.037 208 F CB 1.156 40.066 39.000 -0.151 0.000 1.288 208 F HN -0.006 nan 8.300 nan 0.000 0.463 209 P HA 0.303 nan 4.420 nan 0.000 0.274 209 P C -2.705 174.264 177.300 -0.551 0.000 1.246 209 P CA -1.225 61.060 63.100 -1.360 0.000 0.795 209 P CB 0.190 31.280 31.700 -1.016 0.000 1.006 210 P HA 0.004 nan 4.420 nan 0.000 0.274 210 P C -0.148 177.048 177.300 -0.174 0.000 1.237 210 P CA 0.383 63.362 63.100 -0.202 0.000 0.793 210 P CB 0.060 31.690 31.700 -0.117 0.000 0.977 211 D N -1.325 119.008 120.400 -0.112 0.000 2.708 211 D HA -0.165 4.474 4.640 -0.002 0.000 0.236 211 D C -0.844 175.489 176.300 0.054 0.000 1.146 211 D CA 1.257 55.277 54.000 0.033 0.000 0.662 211 D CB -1.391 39.432 40.800 0.039 0.000 1.059 211 D HN 0.387 nan 8.370 nan 0.000 0.428 212 S N -1.532 114.099 115.700 -0.115 0.000 2.537 212 S HA 0.627 5.095 4.470 -0.002 0.000 0.270 212 S C 0.644 175.001 174.600 -0.405 0.000 1.142 212 S CA 0.666 58.800 58.200 -0.111 0.000 0.870 212 S CB 1.626 64.789 63.200 -0.063 0.000 1.112 212 S HN 1.062 nan 8.310 nan 0.000 0.466 213 G N 1.725 110.163 108.800 -0.604 0.000 2.144 213 G HA2 -0.190 3.769 3.960 -0.002 0.000 0.218 213 G HA3 -0.190 3.769 3.960 -0.002 0.000 0.218 213 G C -0.290 174.518 174.900 -0.154 0.000 0.988 213 G CA 0.050 44.546 45.100 -1.007 0.000 0.659 213 G HN 0.678 nan 8.290 nan 0.000 0.522 214 Y N 1.255 121.563 120.300 0.013 0.000 2.357 214 Y HA 0.335 4.883 4.550 -0.002 0.000 0.340 214 Y C 2.105 178.040 175.900 0.058 0.000 1.260 214 Y CA 0.569 58.725 58.100 0.094 0.000 1.425 214 Y CB 0.929 39.444 38.460 0.092 0.000 1.326 214 Y HN 0.258 nan 8.280 nan 0.000 0.580 215 S N -1.784 114.033 115.700 0.194 0.000 2.515 215 S HA -0.143 4.326 4.470 -0.002 0.000 0.231 215 S C 1.532 176.190 174.600 0.097 0.000 0.987 215 S CA 0.903 59.163 58.200 0.100 0.000 0.936 215 S CB -0.968 62.252 63.200 0.032 0.000 0.766 215 S HN 0.862 nan 8.310 nan 0.000 0.528 216 T N -0.288 114.346 114.554 0.134 0.000 3.113 216 T HA 0.073 4.421 4.350 -0.002 0.000 0.263 216 T C 0.340 175.132 174.700 0.153 0.000 1.143 216 T CA 0.266 62.429 62.100 0.106 0.000 1.090 216 T CB -0.585 68.323 68.868 0.068 0.000 0.922 216 T HN 0.545 nan 8.240 nan 0.000 0.521 217 E N 1.400 121.731 120.200 0.219 0.000 1.941 217 E HA 0.298 4.647 4.350 -0.002 0.000 0.275 217 E C 0.481 177.214 176.600 0.221 0.000 1.113 217 E CA -0.267 56.355 56.400 0.369 0.000 0.878 217 E CB 0.554 30.502 29.700 0.413 0.000 1.070 217 E HN 0.405 nan 8.360 nan 0.000 0.399 218 R N 2.256 122.733 120.500 -0.039 0.000 2.535 218 R HA 0.217 4.556 4.340 -0.002 0.000 0.323 218 R C 0.516 176.428 176.300 -0.647 0.000 0.979 218 R CA 0.016 55.923 56.100 -0.323 0.000 1.120 218 R CB 1.130 31.180 30.300 -0.415 0.000 1.306 218 R HN 0.671 nan 8.270 nan 0.000 0.540 219 G N 1.001 109.008 108.800 -1.322 0.000 2.757 219 G HA2 0.007 3.966 3.960 -0.002 0.000 0.638 219 G HA3 0.007 3.966 3.960 -0.002 0.000 0.638 219 G C -0.966 173.186 174.900 -1.248 0.000 1.344 219 G CA -0.517 43.553 45.100 -1.717 0.000 0.855 219 G HN 0.395 nan 8.290 nan 0.000 0.537 220 A N -1.015 121.269 122.820 -0.893 0.000 2.556 220 A HA 1.202 5.521 4.320 -0.002 0.000 0.294 220 A C 1.299 178.833 177.584 -0.084 0.000 1.091 220 A CA 1.341 53.206 52.037 -0.287 0.000 0.704 220 A CB 1.065 20.019 19.000 -0.076 0.000 1.300 220 A HN 3.107 nan 8.150 nan 0.000 0.406 221 G N 1.291 110.091 108.800 -0.000 0.000 2.550 221 G HA2 -0.306 3.653 3.960 -0.002 0.000 0.277 221 G HA3 -0.306 3.653 3.960 -0.002 0.000 0.277 221 G C 0.669 175.598 174.900 0.049 0.000 1.190 221 G CA 0.599 45.711 45.100 0.021 0.000 0.971 221 G HN 1.025 nan 8.290 nan 0.000 0.559 222 N N 1.757 120.484 118.700 0.045 0.000 2.348 222 N HA -0.062 4.676 4.740 -0.002 0.000 0.185 222 N C 2.138 177.702 175.510 0.091 0.000 1.019 222 N CA 1.770 54.855 53.050 0.059 0.000 0.880 222 N CB -0.545 37.957 38.487 0.025 0.000 0.965 222 N HN 0.901 nan 8.380 nan 0.000 0.437 223 G N -1.019 107.822 108.800 0.067 0.000 2.880 223 G HA2 -0.122 3.836 3.960 -0.002 0.000 0.209 223 G HA3 -0.122 3.836 3.960 -0.002 0.000 0.209 223 G C 0.283 175.239 174.900 0.093 0.000 1.157 223 G CA -0.183 44.967 45.100 0.083 0.000 0.779 223 G HN 0.386 nan 8.290 nan 0.000 0.539 224 H N -0.115 118.937 119.070 -0.030 0.000 3.004 224 H HA 0.380 4.934 4.556 -0.002 0.000 0.316 224 H C 1.450 176.719 175.328 -0.099 0.000 1.014 224 H CA 1.215 57.192 56.048 -0.118 0.000 1.454 224 H CB 0.397 30.095 29.762 -0.107 0.000 1.472 224 H HN 0.188 nan 8.280 nan 0.000 0.571 225 G N 3.597 111.981 108.800 -0.694 0.000 2.176 225 G HA2 -0.282 3.677 3.960 -0.002 0.000 0.232 225 G HA3 -0.282 3.677 3.960 -0.002 0.000 0.232 225 G C 0.140 174.557 174.900 -0.805 0.000 0.986 225 G CA 0.326 45.003 45.100 -0.705 0.000 0.643 225 G HN 0.635 nan 8.290 nan 0.000 0.522 226 Y N 0.515 120.684 120.300 -0.218 0.000 2.660 226 Y HA 0.473 5.021 4.550 -0.002 0.000 0.254 226 Y C 0.827 176.625 175.900 -0.170 0.000 1.176 226 Y CA -0.408 57.581 58.100 -0.185 0.000 1.195 226 Y CB 0.596 38.980 38.460 -0.127 0.000 1.190 226 Y HN 0.262 nan 8.280 nan 0.000 0.535 227 N N 1.001 119.642 118.700 -0.098 0.000 2.354 227 N HA 0.562 5.301 4.740 -0.002 0.000 0.287 227 N C -1.570 173.918 175.510 -0.036 0.000 1.016 227 N CA -0.303 52.739 53.050 -0.013 0.000 0.871 227 N CB 0.973 39.500 38.487 0.066 0.000 1.299 227 N HN 0.074 nan 8.380 nan 0.000 0.482 228 I N 2.379 122.958 120.570 0.016 0.000 2.468 228 I HA 0.305 4.474 4.170 -0.002 0.000 0.284 228 I C -0.648 175.526 176.117 0.095 0.000 1.038 228 I CA -0.635 60.671 61.300 0.011 0.000 1.083 228 I CB 1.505 39.483 38.000 -0.038 0.000 1.223 228 I HN 0.497 nan 8.210 nan 0.000 0.443 229 N N 4.975 123.747 118.700 0.121 0.000 2.456 229 N HA 0.488 5.227 4.740 -0.002 0.000 0.288 229 N C -0.856 174.662 175.510 0.013 0.000 1.059 229 N CA -0.565 52.594 53.050 0.182 0.000 0.946 229 N CB 2.295 40.923 38.487 0.234 0.000 1.150 229 N HN 0.201 nan 8.380 nan 0.000 0.479 230 V N 3.639 123.476 119.914 -0.128 0.000 2.260 230 V HA 0.284 4.403 4.120 -0.002 0.000 0.263 230 V C -2.197 173.613 176.094 -0.473 0.000 1.036 230 V CA -1.478 60.686 62.300 -0.227 0.000 0.874 230 V CB 0.402 32.129 31.823 -0.160 0.000 1.116 230 V HN 0.614 nan 8.190 nan 0.000 0.454 231 P HA 0.336 nan 4.420 nan 0.000 0.276 231 P C -0.728 176.431 177.300 -0.235 0.000 1.235 231 P CA 0.066 62.940 63.100 -0.376 0.000 0.772 231 P CB 1.533 33.169 31.700 -0.106 0.000 0.871 232 L N 5.413 126.544 121.223 -0.154 0.000 2.333 232 L HA 0.543 4.882 4.340 -0.002 0.000 0.269 232 L C -2.137 174.731 176.870 -0.003 0.000 1.010 232 L CA -2.796 51.974 54.840 -0.117 0.000 0.818 232 L CB 2.457 44.395 42.059 -0.202 0.000 1.306 232 L HN 0.182 nan 8.230 nan 0.000 0.430 233 P HA 0.228 nan 4.420 nan 0.000 0.274 233 P C -2.675 174.663 177.300 0.064 0.000 1.231 233 P CA -1.721 61.406 63.100 0.045 0.000 0.790 233 P CB -0.025 31.687 31.700 0.021 0.000 0.951 234 P HA 0.014 nan 4.420 nan 0.000 0.266 234 P C 1.125 178.463 177.300 0.063 0.000 1.193 234 P CA 1.379 64.528 63.100 0.082 0.000 0.770 234 P CB -0.168 31.578 31.700 0.075 0.000 0.836 235 G N 0.982 109.823 108.800 0.068 0.000 2.199 235 G HA2 -0.245 3.714 3.960 -0.002 0.000 0.254 235 G HA3 -0.245 3.714 3.960 -0.002 0.000 0.254 235 G C 0.360 175.292 174.900 0.053 0.000 0.982 235 G CA 0.038 45.167 45.100 0.048 0.000 0.632 235 G HN 0.595 nan 8.290 nan 0.000 0.529 236 S N 0.814 116.562 115.700 0.081 0.000 2.549 236 S HA 0.526 4.994 4.470 -0.002 0.000 0.286 236 S C 0.991 175.686 174.600 0.157 0.000 1.314 236 S CA 0.592 58.852 58.200 0.099 0.000 1.062 236 S CB 1.349 64.600 63.200 0.085 0.000 0.865 236 S HN 1.319 nan 8.310 nan 0.000 0.498 237 G N 1.910 110.782 108.800 0.121 0.000 3.257 237 G HA2 0.281 4.240 3.960 -0.002 0.000 0.205 237 G HA3 0.281 4.240 3.960 -0.002 0.000 0.205 237 G C 0.481 175.435 174.900 0.090 0.000 1.234 237 G CA -0.545 44.595 45.100 0.067 0.000 0.918 237 G HN 0.523 nan 8.290 nan 0.000 0.602 238 N N 0.273 118.962 118.700 -0.019 0.000 2.104 238 N HA -0.131 4.608 4.740 -0.002 0.000 0.190 238 N C 2.373 177.903 175.510 0.033 0.000 1.024 238 N CA 1.608 54.637 53.050 -0.036 0.000 0.853 238 N CB -0.510 37.936 38.487 -0.069 0.000 1.008 238 N HN 0.483 nan 8.380 nan 0.000 0.424 239 A N 0.774 123.608 122.820 0.023 0.000 1.877 239 A HA 0.008 4.327 4.320 -0.002 0.000 0.216 239 A C 2.353 179.966 177.584 0.048 0.000 1.186 239 A CA 2.085 54.136 52.037 0.022 0.000 0.620 239 A CB -0.972 18.021 19.000 -0.011 0.000 0.822 239 A HN 0.327 nan 8.150 nan 0.000 0.443 240 A N -1.648 121.199 122.820 0.044 0.000 1.898 240 A HA -0.062 4.257 4.320 -0.002 0.000 0.216 240 A C 2.109 179.682 177.584 -0.018 0.000 1.181 240 A CA 1.550 53.593 52.037 0.011 0.000 0.620 240 A CB -0.813 18.164 19.000 -0.038 0.000 0.819 240 A HN 0.569 nan 8.150 nan 0.000 0.442 241 Y N 0.072 120.353 120.300 -0.031 0.000 2.181 241 Y HA -0.114 4.435 4.550 -0.001 0.000 0.288 241 Y C 2.217 178.099 175.900 -0.030 0.000 1.146 241 Y CA 1.612 59.681 58.100 -0.053 0.000 1.164 241 Y CB -0.242 38.130 38.460 -0.147 0.000 0.982 241 Y HN 0.180 nan 8.280 nan 0.000 0.515 242 L N -1.481 119.812 121.223 0.118 0.000 2.156 242 L HA -0.214 4.124 4.340 -0.002 0.000 0.208 242 L C 2.276 179.196 176.870 0.084 0.000 1.095 242 L CA 1.432 56.320 54.840 0.079 0.000 0.770 242 L CB -0.560 41.535 42.059 0.060 0.000 0.914 242 L HN 0.274 nan 8.230 nan 0.000 0.439 243 H N 0.289 119.354 119.070 -0.008 0.000 2.357 243 H HA -0.105 4.449 4.556 -0.002 0.000 0.301 243 H C 2.166 177.475 175.328 -0.031 0.000 1.082 243 H CA 1.485 57.520 56.048 -0.020 0.000 1.342 243 H CB 0.136 29.879 29.762 -0.032 0.000 1.389 243 H HN 0.258 nan 8.280 nan 0.000 0.511 244 A N 0.625 123.420 122.820 -0.041 0.000 1.902 244 A HA -0.183 4.135 4.320 -0.002 0.000 0.217 244 A C 2.309 179.852 177.584 -0.069 0.000 1.181 244 A CA 1.797 53.771 52.037 -0.106 0.000 0.623 244 A CB -0.496 18.419 19.000 -0.143 0.000 0.818 244 A HN 0.401 nan 8.150 nan 0.000 0.443 245 M N -0.034 119.562 119.600 -0.007 0.000 2.086 245 M HA -0.135 4.344 4.480 -0.002 0.000 0.261 245 M C 1.425 177.723 176.300 -0.004 0.000 1.067 245 M CA 1.605 56.928 55.300 0.038 0.000 1.116 245 M CB -1.467 31.181 32.600 0.080 0.000 1.348 245 M HN 0.349 nan 8.290 nan 0.000 0.407 246 D N -0.416 119.957 120.400 -0.044 0.000 2.162 246 D HA -0.093 4.546 4.640 -0.002 0.000 0.203 246 D C 2.213 178.447 176.300 -0.110 0.000 0.967 246 D CA 0.897 54.863 54.000 -0.056 0.000 0.840 246 D CB -0.062 40.713 40.800 -0.043 0.000 0.972 246 D HN 0.364 nan 8.370 nan 0.000 0.482 247 Q N -0.237 119.436 119.800 -0.212 0.000 2.339 247 Q HA 0.084 4.423 4.340 -0.002 0.000 0.205 247 Q C 1.833 177.752 176.000 -0.135 0.000 0.925 247 Q CA 0.407 56.072 55.803 -0.230 0.000 0.898 247 Q CB 1.187 29.656 28.738 -0.448 0.000 1.013 247 Q HN 0.208 nan 8.270 nan 0.000 0.504 248 V N -1.272 118.578 119.914 -0.108 0.000 3.054 248 V HA -0.002 4.117 4.120 -0.002 0.000 0.227 248 V C 2.028 178.103 176.094 -0.031 0.000 1.252 248 V CA 0.381 62.640 62.300 -0.068 0.000 1.279 248 V CB 0.044 31.823 31.823 -0.072 0.000 1.118 248 V HN -0.094 nan 8.190 nan 0.000 0.504 249 V N 0.713 120.622 119.914 -0.008 0.000 2.270 249 V HA -0.189 3.930 4.120 -0.002 0.000 0.245 249 V C 2.338 178.452 176.094 0.034 0.000 1.043 249 V CA 2.133 64.450 62.300 0.028 0.000 1.014 249 V CB -0.510 31.361 31.823 0.080 0.000 0.645 249 V HN 0.391 nan 8.190 nan 0.000 0.447 250 L N -0.152 121.093 121.223 0.036 0.000 1.994 250 L HA -0.109 4.230 4.340 -0.002 0.000 0.208 250 L C 0.108 176.996 176.870 0.030 0.000 1.071 250 L CA 1.754 56.619 54.840 0.042 0.000 0.745 250 L CB -2.022 40.063 42.059 0.044 0.000 0.892 250 L HN 0.348 nan 8.230 nan 0.000 0.431 251 P HA -0.190 nan 4.420 nan 0.000 0.215 251 P C 1.508 178.820 177.300 0.020 0.000 1.153 251 P CA 1.872 64.978 63.100 0.010 0.000 0.853 251 P CB -0.041 31.653 31.700 -0.010 0.000 0.788 252 A N -0.474 122.353 122.820 0.011 0.000 1.883 252 A HA -0.198 4.120 4.320 -0.002 0.000 0.217 252 A C 2.266 179.890 177.584 0.065 0.000 1.186 252 A CA 1.645 53.691 52.037 0.016 0.000 0.624 252 A CB -1.705 17.285 19.000 -0.017 0.000 0.822 252 A HN 0.114 nan 8.150 nan 0.000 0.444 253 L N -1.190 120.069 121.223 0.061 0.000 2.017 253 L HA -0.211 4.128 4.340 -0.002 0.000 0.208 253 L C 2.907 179.844 176.870 0.111 0.000 1.073 253 L CA 1.665 56.562 54.840 0.096 0.000 0.745 253 L CB -0.505 41.594 42.059 0.067 0.000 0.894 253 L HN 0.366 nan 8.230 nan 0.000 0.432 254 R N -0.195 120.349 120.500 0.074 0.000 2.096 254 R HA -0.109 4.230 4.340 -0.002 0.000 0.235 254 R C 2.394 178.731 176.300 0.063 0.000 1.127 254 R CA 1.202 57.337 56.100 0.058 0.000 0.968 254 R CB -0.438 29.887 30.300 0.040 0.000 0.861 254 R HN 0.358 nan 8.270 nan 0.000 0.440 255 A N 0.280 123.147 122.820 0.079 0.000 1.930 255 A HA -0.196 4.123 4.320 -0.002 0.000 0.217 255 A C 1.904 179.572 177.584 0.140 0.000 1.175 255 A CA 1.032 53.122 52.037 0.088 0.000 0.627 255 A CB -0.516 18.529 19.000 0.074 0.000 0.815 255 A HN 0.419 nan 8.150 nan 0.000 0.443 256 Y N -0.359 119.963 120.300 0.036 0.000 2.420 256 Y HA 0.055 4.604 4.550 -0.002 0.000 0.292 256 Y C 0.398 176.311 175.900 0.021 0.000 1.119 256 Y CA 0.890 59.025 58.100 0.057 0.000 1.229 256 Y CB 0.316 38.815 38.460 0.065 0.000 1.026 256 Y HN 0.343 nan 8.280 nan 0.000 0.554 257 R N -0.029 120.465 120.500 -0.011 0.000 3.152 257 R HA -0.147 4.192 4.340 -0.002 0.000 0.252 257 R C -2.830 173.358 176.300 -0.187 0.000 0.930 257 R CA 0.615 56.660 56.100 -0.093 0.000 0.642 257 R CB -2.650 27.582 30.300 -0.113 0.000 1.205 257 R HN 0.349 nan 8.270 nan 0.000 0.452 258 P HA 0.095 nan 4.420 nan 0.000 0.274 258 P C 0.249 177.525 177.300 -0.040 0.000 1.237 258 P CA -0.181 62.909 63.100 -0.016 0.000 0.793 258 P CB 0.681 32.492 31.700 0.184 0.000 0.977 259 Q N -0.088 119.680 119.800 -0.053 0.000 2.424 259 Q HA 0.228 4.567 4.340 -0.002 0.000 0.204 259 Q C 0.098 176.085 176.000 -0.022 0.000 0.933 259 Q CA 0.700 56.478 55.803 -0.042 0.000 0.929 259 Q CB -0.071 28.636 28.738 -0.052 0.000 1.037 259 Q HN 0.312 nan 8.270 nan 0.000 0.511 260 L N -0.660 120.552 121.223 -0.019 0.000 2.549 260 L HA 0.489 4.828 4.340 -0.002 0.000 0.259 260 L C -1.866 174.983 176.870 -0.036 0.000 0.934 260 L CA -0.565 54.261 54.840 -0.023 0.000 0.865 260 L CB 1.610 43.654 42.059 -0.026 0.000 1.352 260 L HN -0.091 nan 8.230 nan 0.000 0.410 261 I N 5.531 126.068 120.570 -0.055 0.000 2.354 261 I HA 0.473 4.642 4.170 -0.002 0.000 0.292 261 I C -0.580 175.431 176.117 -0.176 0.000 0.989 261 I CA -0.391 60.846 61.300 -0.104 0.000 1.188 261 I CB 1.581 39.521 38.000 -0.100 0.000 1.342 261 I HN 0.480 nan 8.210 nan 0.000 0.457 262 I N 6.793 127.240 120.570 -0.205 0.000 2.378 262 I HA 0.350 4.519 4.170 -0.002 0.000 0.291 262 I C -0.550 175.346 176.117 -0.369 0.000 0.992 262 I CA -0.847 60.300 61.300 -0.256 0.000 1.154 262 I CB 1.859 39.753 38.000 -0.176 0.000 1.315 262 I HN 0.171 nan 8.210 nan 0.000 0.448 263 V N 5.089 124.662 119.914 -0.568 0.000 2.370 263 V HA 0.393 4.512 4.120 -0.002 0.000 0.283 263 V C 0.739 176.469 176.094 -0.607 0.000 1.023 263 V CA -0.619 61.233 62.300 -0.748 0.000 0.857 263 V CB 1.413 32.452 31.823 -1.307 0.000 0.985 263 V HN 0.914 nan 8.190 nan 0.000 0.443 264 G N 2.513 111.005 108.800 -0.514 0.000 2.519 264 G HA2 0.288 4.247 3.960 -0.002 0.000 0.306 264 G HA3 0.288 4.247 3.960 -0.002 0.000 0.306 264 G C 0.239 174.797 174.900 -0.570 0.000 0.965 264 G CA -0.075 44.781 45.100 -0.406 0.000 1.291 264 G HN 0.652 nan 8.290 nan 0.000 0.450 265 S N 2.389 117.777 115.700 -0.520 0.000 2.592 265 S HA 0.578 5.046 4.470 -0.002 0.000 0.305 265 S C 0.867 175.174 174.600 -0.487 0.000 1.118 265 S CA -0.352 57.528 58.200 -0.534 0.000 1.075 265 S CB -0.176 62.960 63.200 -0.106 0.000 1.107 265 S HN 0.737 nan 8.310 nan 0.000 0.503 266 G N 2.252 110.820 108.800 -0.387 0.000 2.437 266 G HA2 0.596 4.554 3.960 -0.002 0.000 0.319 266 G HA3 0.596 4.554 3.960 -0.002 0.000 0.319 266 G C -0.366 174.176 174.900 -0.596 0.000 1.158 266 G CA -0.697 44.177 45.100 -0.377 0.000 0.899 266 G HN 0.699 nan 8.290 nan 0.000 0.502 267 F N -0.286 119.626 119.950 -0.063 0.000 2.735 267 F HA 0.164 4.691 4.527 -0.001 0.000 0.304 267 F C 1.204 177.017 175.800 0.021 0.000 1.119 267 F CA -0.588 57.237 58.000 -0.292 0.000 1.280 267 F CB 0.996 39.652 39.000 -0.574 0.000 0.994 267 F HN 0.437 nan 8.300 nan 0.000 0.520 268 D N 0.286 120.819 120.400 0.222 0.000 2.363 268 D HA -0.049 4.590 4.640 -0.002 0.000 0.220 268 D C 1.797 178.267 176.300 0.284 0.000 0.994 268 D CA 0.525 54.708 54.000 0.305 0.000 0.890 268 D CB -0.290 40.783 40.800 0.455 0.000 0.906 268 D HN 0.211 nan 8.370 nan 0.000 0.530 269 A N 0.530 123.538 122.820 0.312 0.000 2.235 269 A HA 0.121 4.440 4.320 -0.002 0.000 0.208 269 A C 1.303 179.003 177.584 0.193 0.000 1.172 269 A CA 0.183 52.338 52.037 0.196 0.000 0.786 269 A CB -0.642 18.335 19.000 -0.038 0.000 0.804 269 A HN 0.297 nan 8.150 nan 0.000 0.479 270 S N -1.370 114.558 115.700 0.380 0.000 2.576 270 S HA 0.167 4.636 4.470 -0.002 0.000 0.272 270 S C 1.034 175.768 174.600 0.223 0.000 1.352 270 S CA 0.330 58.760 58.200 0.384 0.000 1.021 270 S CB 0.329 63.822 63.200 0.489 0.000 0.887 270 S HN 0.347 nan 8.310 nan 0.000 0.542 271 M N 1.994 121.695 119.600 0.168 0.000 2.260 271 M HA 0.073 4.552 4.480 -0.002 0.000 0.261 271 M C 0.961 177.283 176.300 0.038 0.000 1.066 271 M CA 1.733 57.056 55.300 0.039 0.000 1.082 271 M CB -0.601 31.956 32.600 -0.071 0.000 1.388 271 M HN 0.772 nan 8.290 nan 0.000 0.419 272 L N -1.139 120.142 121.223 0.097 0.000 2.959 272 L HA 0.237 4.575 4.340 -0.002 0.000 0.259 272 L C 0.143 177.115 176.870 0.171 0.000 1.185 272 L CA -0.418 54.475 54.840 0.088 0.000 0.998 272 L CB -0.165 41.899 42.059 0.008 0.000 1.337 272 L HN 0.062 nan 8.230 nan 0.000 0.555 273 D N 1.997 122.519 120.400 0.204 0.000 2.350 273 D HA 0.101 4.740 4.640 -0.002 0.000 0.249 273 D C -1.436 174.993 176.300 0.216 0.000 1.119 273 D CA -1.255 52.895 54.000 0.251 0.000 0.886 273 D CB 2.178 43.159 40.800 0.301 0.000 1.195 273 D HN -0.007 nan 8.370 nan 0.000 0.437 274 P HA 0.000 nan 4.420 nan 0.000 0.227 274 P C 1.323 178.717 177.300 0.157 0.000 1.161 274 P CA 0.369 63.566 63.100 0.163 0.000 0.788 274 P CB 0.514 32.299 31.700 0.140 0.000 0.822 275 L N -1.194 120.161 121.223 0.219 0.000 2.629 275 L HA 0.397 4.736 4.340 -0.002 0.000 0.230 275 L C 0.892 177.949 176.870 0.313 0.000 1.151 275 L CA -0.246 54.724 54.840 0.217 0.000 0.924 275 L CB -0.179 41.943 42.059 0.106 0.000 1.137 275 L HN -0.020 nan 8.230 nan 0.000 0.457 276 A N -0.659 122.299 122.820 0.230 0.000 2.564 276 A HA 0.662 4.981 4.320 -0.002 0.000 0.291 276 A C -0.483 177.188 177.584 0.145 0.000 1.102 276 A CA -0.684 51.458 52.037 0.175 0.000 0.660 276 A CB 1.050 20.118 19.000 0.113 0.000 1.283 276 A HN 0.028 nan 8.150 nan 0.000 0.430 277 R N 0.107 120.682 120.500 0.125 0.000 2.700 277 R HA 0.291 4.629 4.340 -0.002 0.000 0.377 277 R C -0.410 175.949 176.300 0.097 0.000 1.130 277 R CA -0.119 56.042 56.100 0.101 0.000 1.055 277 R CB 0.134 30.487 30.300 0.089 0.000 1.387 277 R HN 0.683 nan 8.270 nan 0.000 0.580 278 M N -0.108 119.559 119.600 0.113 0.000 2.513 278 M HA 0.437 4.916 4.480 -0.002 0.000 0.291 278 M C 0.977 177.312 176.300 0.057 0.000 1.190 278 M CA -0.313 55.053 55.300 0.111 0.000 0.960 278 M CB 0.874 33.571 32.600 0.161 0.000 1.517 278 M HN -0.066 nan 8.290 nan 0.000 0.499 279 M N 0.504 120.116 119.600 0.020 0.000 2.705 279 M HA 0.230 4.709 4.480 -0.002 0.000 0.387 279 M C -0.627 175.620 176.300 -0.088 0.000 1.204 279 M CA -0.176 55.109 55.300 -0.024 0.000 0.905 279 M CB 0.481 33.069 32.600 -0.021 0.000 1.394 279 M HN 0.229 nan 8.290 nan 0.000 0.515 280 V N 1.720 121.525 119.914 -0.182 0.000 2.637 280 V HA 0.180 4.299 4.120 -0.002 0.000 0.296 280 V C 0.901 176.896 176.094 -0.166 0.000 1.046 280 V CA -0.036 62.032 62.300 -0.387 0.000 1.066 280 V CB 0.799 32.031 31.823 -0.985 0.000 0.968 280 V HN 0.532 nan 8.190 nan 0.000 0.483 281 T N 1.740 116.213 114.554 -0.134 0.000 2.948 281 T HA 0.637 4.986 4.350 -0.002 0.000 0.285 281 T C 1.273 176.066 174.700 0.155 0.000 1.019 281 T CA -0.102 62.077 62.100 0.133 0.000 1.013 281 T CB 1.769 70.674 68.868 0.062 0.000 1.117 281 T HN 0.725 nan 8.240 nan 0.000 0.533 282 A N 0.428 123.405 122.820 0.262 0.000 1.948 282 A HA -0.149 4.170 4.320 -0.002 0.000 0.220 282 A C 1.965 179.626 177.584 0.130 0.000 1.177 282 A CA 2.405 54.521 52.037 0.131 0.000 0.636 282 A CB -1.424 17.595 19.000 0.031 0.000 0.815 282 A HN 1.004 nan 8.150 nan 0.000 0.449 283 D N -0.968 119.518 120.400 0.144 0.000 2.144 283 D HA -0.016 4.623 4.640 -0.002 0.000 0.199 283 D C 1.976 178.289 176.300 0.022 0.000 0.984 283 D CA 1.531 55.598 54.000 0.112 0.000 0.834 283 D CB -0.419 40.499 40.800 0.196 0.000 0.955 283 D HN 0.314 nan 8.370 nan 0.000 0.465 284 G N -0.747 108.011 108.800 -0.071 0.000 2.421 284 G HA2 -0.247 3.711 3.960 -0.002 0.000 0.216 284 G HA3 -0.247 3.711 3.960 -0.002 0.000 0.216 284 G C 1.364 176.095 174.900 -0.282 0.000 1.171 284 G CA 0.509 45.479 45.100 -0.217 0.000 0.775 284 G HN 0.260 nan 8.290 nan 0.000 0.543 285 F N 0.741 120.600 119.950 -0.152 0.000 2.171 285 F HA 0.055 4.581 4.527 -0.002 0.000 0.300 285 F C 2.678 178.420 175.800 -0.097 0.000 1.090 285 F CA 1.265 59.148 58.000 -0.195 0.000 1.293 285 F CB -0.355 38.593 39.000 -0.086 0.000 1.013 285 F HN 0.029 nan 8.300 nan 0.000 0.486 286 R N 0.502 121.077 120.500 0.125 0.000 2.083 286 R HA -0.224 4.115 4.340 -0.002 0.000 0.237 286 R C 2.117 178.469 176.300 0.085 0.000 1.137 286 R CA 2.024 58.181 56.100 0.095 0.000 0.951 286 R CB -0.328 30.011 30.300 0.064 0.000 0.851 286 R HN 0.353 nan 8.270 nan 0.000 0.434 287 Q N -0.369 119.456 119.800 0.042 0.000 2.119 287 Q HA -0.131 4.207 4.340 -0.002 0.000 0.201 287 Q C 2.232 178.264 176.000 0.053 0.000 0.972 287 Q CA 1.791 57.619 55.803 0.042 0.000 0.847 287 Q CB -0.032 28.716 28.738 0.018 0.000 0.903 287 Q HN 0.404 nan 8.270 nan 0.000 0.433 288 M N 0.130 119.720 119.600 -0.016 0.000 2.080 288 M HA -0.195 4.284 4.480 -0.002 0.000 0.260 288 M C 2.389 178.808 176.300 0.198 0.000 1.068 288 M CA 1.670 56.948 55.300 -0.037 0.000 1.109 288 M CB -0.374 31.966 32.600 -0.433 0.000 1.342 288 M HN 0.250 nan 8.290 nan 0.000 0.405 289 A N 0.227 123.221 122.820 0.290 0.000 1.877 289 A HA -0.210 4.109 4.320 -0.002 0.000 0.216 289 A C 2.092 179.918 177.584 0.402 0.000 1.186 289 A CA 2.064 54.449 52.037 0.580 0.000 0.620 289 A CB -0.668 18.610 19.000 0.464 0.000 0.822 289 A HN 0.377 nan 8.150 nan 0.000 0.443 290 R N -0.003 120.643 120.500 0.243 0.000 2.094 290 R HA -0.146 4.193 4.340 -0.002 0.000 0.239 290 R C 2.268 178.678 176.300 0.183 0.000 1.137 290 R CA 2.235 58.444 56.100 0.180 0.000 0.943 290 R CB -0.540 29.831 30.300 0.119 0.000 0.850 290 R HN 0.562 nan 8.270 nan 0.000 0.433 291 R N -1.129 119.477 120.500 0.176 0.000 2.081 291 R HA -0.071 4.267 4.340 -0.002 0.000 0.235 291 R C 2.242 178.652 176.300 0.184 0.000 1.131 291 R CA 2.112 58.305 56.100 0.155 0.000 0.960 291 R CB -0.429 29.952 30.300 0.136 0.000 0.856 291 R HN 0.328 nan 8.270 nan 0.000 0.436 292 T N 1.011 115.723 114.554 0.264 0.000 2.777 292 T HA -0.055 4.294 4.350 -0.002 0.000 0.266 292 T C 1.893 176.718 174.700 0.208 0.000 1.040 292 T CA 1.077 63.326 62.100 0.247 0.000 1.141 292 T CB -0.128 68.940 68.868 0.333 0.000 0.868 292 T HN 0.128 nan 8.240 nan 0.000 0.444 293 I N 1.493 122.231 120.570 0.280 0.000 2.179 293 I HA -0.186 3.983 4.170 -0.002 0.000 0.242 293 I C 2.321 178.534 176.117 0.160 0.000 1.088 293 I CA 1.246 62.693 61.300 0.245 0.000 1.357 293 I CB -0.385 37.786 38.000 0.284 0.000 1.051 293 I HN 0.114 nan 8.210 nan 0.000 0.409 294 D N 0.135 120.621 120.400 0.144 0.000 2.117 294 D HA -0.204 4.435 4.640 -0.002 0.000 0.197 294 D C 2.200 178.554 176.300 0.089 0.000 0.987 294 D CA 1.131 55.194 54.000 0.104 0.000 0.829 294 D CB -0.623 40.234 40.800 0.094 0.000 0.961 294 D HN 0.401 nan 8.370 nan 0.000 0.460 295 C N 1.099 120.456 119.300 0.095 0.000 2.413 295 C HA -0.114 4.345 4.460 -0.002 0.000 0.277 295 C C 2.907 177.936 174.990 0.066 0.000 1.228 295 C CA 1.592 60.656 59.018 0.077 0.000 1.731 295 C CB -1.094 26.695 27.740 0.082 0.000 2.042 295 C HN 0.355 nan 8.230 nan 0.000 0.468 296 A N 0.428 123.291 122.820 0.072 0.000 1.908 296 A HA 0.018 4.337 4.320 -0.002 0.000 0.218 296 A C 2.505 180.123 177.584 0.056 0.000 1.181 296 A CA 2.560 54.631 52.037 0.057 0.000 0.627 296 A CB -1.277 17.761 19.000 0.062 0.000 0.818 296 A HN 0.950 nan 8.150 nan 0.000 0.445 297 A N -0.053 122.807 122.820 0.067 0.000 1.917 297 A HA -0.241 4.078 4.320 -0.002 0.000 0.219 297 A C 1.770 179.381 177.584 0.045 0.000 1.182 297 A CA 2.090 54.162 52.037 0.059 0.000 0.633 297 A CB -0.603 18.436 19.000 0.064 0.000 0.819 297 A HN 0.487 nan 8.150 nan 0.000 0.448 298 D N -0.624 119.803 120.400 0.045 0.000 2.194 298 D HA -0.041 4.598 4.640 -0.002 0.000 0.204 298 D C 1.818 178.135 176.300 0.029 0.000 0.964 298 D CA 1.604 55.626 54.000 0.036 0.000 0.846 298 D CB -0.113 40.710 40.800 0.038 0.000 0.962 298 D HN 0.754 nan 8.370 nan 0.000 0.490 299 I N -2.273 118.315 120.570 0.030 0.000 4.312 299 I HA 0.167 4.336 4.170 -0.002 0.000 0.324 299 I C 0.634 176.758 176.117 0.012 0.000 1.298 299 I CA -0.057 61.256 61.300 0.020 0.000 1.231 299 I CB 0.643 38.658 38.000 0.025 0.000 1.152 299 I HN -0.022 nan 8.210 nan 0.000 0.421 300 C N -0.405 118.906 119.300 0.017 0.000 3.151 300 C HA 0.514 4.973 4.460 -0.002 0.000 0.249 300 C C -0.055 174.945 174.990 0.017 0.000 2.249 300 C CA -0.768 58.256 59.018 0.010 0.000 1.517 300 C CB -1.164 26.579 27.740 0.005 0.000 2.989 300 C HN 0.500 nan 8.230 nan 0.000 0.476 301 D N 1.147 121.560 120.400 0.021 0.000 2.837 301 D HA -0.089 4.550 4.640 -0.002 0.000 0.230 301 D C 1.487 177.809 176.300 0.038 0.000 1.152 301 D CA 2.475 56.491 54.000 0.026 0.000 0.736 301 D CB -1.459 39.353 40.800 0.020 0.000 1.084 301 D HN 1.723 nan 8.370 nan 0.000 0.429 302 G N -0.425 108.402 108.800 0.046 0.000 2.168 302 G HA2 -0.434 3.525 3.960 -0.002 0.000 0.263 302 G HA3 -0.434 3.525 3.960 -0.002 0.000 0.263 302 G C 0.331 175.270 174.900 0.065 0.000 0.977 302 G CA 0.376 45.513 45.100 0.063 0.000 0.659 302 G HN 0.535 nan 8.290 nan 0.000 0.533 303 R N 0.019 120.546 120.500 0.046 0.000 2.357 303 R HA 0.535 4.874 4.340 -0.002 0.000 0.330 303 R C -0.011 176.305 176.300 0.026 0.000 1.102 303 R CA 0.204 56.328 56.100 0.039 0.000 0.974 303 R CB 0.268 30.582 30.300 0.024 0.000 1.002 303 R HN 0.463 nan 8.270 nan 0.000 0.463 304 I N 2.348 122.946 120.570 0.046 0.000 2.607 304 I HA 0.278 4.447 4.170 -0.002 0.000 0.290 304 I C -1.371 174.774 176.117 0.047 0.000 1.129 304 I CA -0.969 60.334 61.300 0.005 0.000 1.042 304 I CB 2.158 40.170 38.000 0.021 0.000 1.242 304 I HN 0.168 nan 8.210 nan 0.000 0.421 305 V N 7.850 127.724 119.914 -0.068 0.000 2.443 305 V HA 0.430 4.549 4.120 -0.002 0.000 0.293 305 V C -0.643 175.352 176.094 -0.166 0.000 1.021 305 V CA -0.397 61.892 62.300 -0.019 0.000 0.848 305 V CB 1.523 33.323 31.823 -0.038 0.000 0.998 305 V HN 0.460 nan 8.190 nan 0.000 0.424 306 F N 3.716 123.535 119.950 -0.218 0.000 2.394 306 F HA 0.657 5.183 4.527 -0.001 0.000 0.340 306 F C 0.186 175.606 175.800 -0.635 0.000 1.105 306 F CA -0.642 57.078 58.000 -0.467 0.000 1.124 306 F CB 1.793 40.429 39.000 -0.607 0.000 1.145 306 F HN 0.176 nan 8.300 nan 0.000 0.505 307 V N 2.762 122.441 119.914 -0.392 0.000 2.577 307 V HA 0.242 4.361 4.120 -0.002 0.000 0.303 307 V C -0.428 175.508 176.094 -0.262 0.000 1.042 307 V CA -1.019 61.096 62.300 -0.308 0.000 0.872 307 V CB 1.575 33.281 31.823 -0.196 0.000 0.998 307 V HN 0.604 nan 8.190 nan 0.000 0.423 308 Q N 3.874 123.597 119.800 -0.128 0.000 2.300 308 Q HA 0.165 4.504 4.340 -0.002 0.000 0.280 308 Q C 0.250 176.200 176.000 -0.084 0.000 1.033 308 Q CA 0.928 56.746 55.803 0.026 0.000 0.903 308 Q CB 0.652 29.515 28.738 0.209 0.000 1.195 308 Q HN 0.744 nan 8.270 nan 0.000 0.386 309 E N 2.073 122.186 120.200 -0.146 0.000 3.617 309 E HA 0.453 4.801 4.350 -0.002 0.000 0.351 309 E C 0.230 176.773 176.600 -0.094 0.000 0.551 309 E CA -0.105 56.182 56.400 -0.188 0.000 2.098 309 E CB -0.613 28.838 29.700 -0.415 0.000 2.118 309 E HN 0.705 nan 8.360 nan 0.000 0.450 310 G N -1.112 107.640 108.800 -0.081 0.000 2.509 310 G HA2 0.496 4.455 3.960 -0.002 0.000 0.269 310 G HA3 0.496 4.455 3.960 -0.002 0.000 0.269 310 G C -0.212 174.545 174.900 -0.237 0.000 1.416 310 G CA 0.058 45.128 45.100 -0.050 0.000 1.052 310 G HN 0.551 nan 8.290 nan 0.000 0.542 311 G N -2.961 105.432 108.800 -0.678 0.000 2.957 311 G HA2 0.195 4.154 3.960 -0.002 0.000 0.636 311 G HA3 0.195 4.154 3.960 -0.002 0.000 0.636 311 G C -0.818 173.607 174.900 -0.792 0.000 1.401 311 G CA -0.424 44.426 45.100 -0.416 0.000 0.941 311 G HN 0.755 nan 8.290 nan 0.000 0.610 312 Y N 0.890 121.318 120.300 0.212 0.000 2.666 312 Y HA 0.475 5.024 4.550 -0.002 0.000 0.260 312 Y C 1.458 177.440 175.900 0.137 0.000 1.089 312 Y CA 0.171 58.381 58.100 0.182 0.000 1.246 312 Y CB 1.488 40.071 38.460 0.204 0.000 1.353 312 Y HN 0.645 nan 8.280 nan 0.000 0.558 313 S N 4.113 119.929 115.700 0.193 0.000 2.409 313 S HA 0.172 4.641 4.470 -0.002 0.000 0.308 313 S C -1.461 173.152 174.600 0.023 0.000 1.080 313 S CA -1.622 56.665 58.200 0.145 0.000 1.081 313 S CB 0.659 63.988 63.200 0.214 0.000 1.009 313 S HN 0.076 nan 8.310 nan 0.000 0.502 314 P HA -0.141 nan 4.420 nan 0.000 0.220 314 P C 0.854 178.052 177.300 -0.171 0.000 1.148 314 P CA 1.135 64.135 63.100 -0.166 0.000 0.803 314 P CB -0.030 31.514 31.700 -0.260 0.000 0.782 315 H N -1.795 117.337 119.070 0.103 0.000 2.326 315 H HA -0.098 4.456 4.556 -0.003 0.000 0.301 315 H C 1.813 177.254 175.328 0.187 0.000 1.081 315 H CA 1.349 57.484 56.048 0.146 0.000 1.334 315 H CB -0.853 28.966 29.762 0.095 0.000 1.385 315 H HN 0.192 nan 8.280 nan 0.000 0.504 316 Y N 0.583 120.899 120.300 0.027 0.000 2.558 316 Y HA 0.125 4.674 4.550 -0.002 0.000 0.273 316 Y C 2.458 178.329 175.900 -0.049 0.000 1.100 316 Y CA -0.183 57.879 58.100 -0.064 0.000 1.276 316 Y CB -0.340 37.996 38.460 -0.208 0.000 1.196 316 Y HN -0.002 nan 8.280 nan 0.000 0.527 317 L N 1.159 122.306 121.223 -0.126 0.000 2.051 317 L HA -0.181 4.158 4.340 -0.002 0.000 0.214 317 L C -0.916 175.582 176.870 -0.619 0.000 1.076 317 L CA 1.953 56.589 54.840 -0.341 0.000 0.758 317 L CB -1.219 40.758 42.059 -0.136 0.000 0.890 317 L HN 0.072 nan 8.230 nan 0.000 0.433 318 P HA -0.179 nan 4.420 nan 0.000 0.216 318 P C 1.252 178.034 177.300 -0.864 0.000 1.150 318 P CA 1.667 64.389 63.100 -0.629 0.000 0.837 318 P CB -0.118 31.287 31.700 -0.491 0.000 0.786 319 F N -1.240 118.429 119.950 -0.468 0.000 2.234 319 F HA -0.144 4.381 4.527 -0.003 0.000 0.299 319 F C 2.440 177.844 175.800 -0.661 0.000 1.087 319 F CA 0.786 58.520 58.000 -0.443 0.000 1.340 319 F CB -1.569 37.288 39.000 -0.238 0.000 1.031 319 F HN -0.020 nan 8.300 nan 0.000 0.500 320 C N 0.013 118.806 119.300 -0.846 0.000 2.432 320 C HA -0.091 4.368 4.460 -0.002 0.000 0.277 320 C C 3.155 177.271 174.990 -1.457 0.000 1.249 320 C CA 1.259 59.656 59.018 -1.036 0.000 1.725 320 C CB -1.650 25.343 27.740 -1.246 0.000 2.028 320 C HN 0.632 nan 8.230 nan 0.000 0.477 321 G N 0.158 107.760 108.800 -1.996 0.000 2.402 321 G HA2 -0.174 3.785 3.960 -0.002 0.000 0.216 321 G HA3 -0.174 3.785 3.960 -0.002 0.000 0.216 321 G C 1.525 175.851 174.900 -0.957 0.000 1.162 321 G CA 0.785 44.630 45.100 -2.092 0.000 0.777 321 G HN 0.439 nan 8.290 nan 0.000 0.539 322 L N 1.459 122.263 121.223 -0.698 0.000 2.042 322 L HA 0.040 4.379 4.340 -0.002 0.000 0.210 322 L C 3.112 179.863 176.870 -0.199 0.000 1.076 322 L CA 2.154 56.835 54.840 -0.265 0.000 0.749 322 L CB -0.691 41.230 42.059 -0.230 0.000 0.893 322 L HN 0.248 nan 8.230 nan 0.000 0.432 323 A N -1.282 121.401 122.820 -0.228 0.000 1.908 323 A HA -0.191 4.128 4.320 -0.002 0.000 0.218 323 A C 2.272 179.814 177.584 -0.069 0.000 1.181 323 A CA 2.211 54.185 52.037 -0.105 0.000 0.627 323 A CB -1.147 17.810 19.000 -0.072 0.000 0.818 323 A HN 0.316 nan 8.150 nan 0.000 0.445 324 V N 0.570 120.426 119.914 -0.098 0.000 2.307 324 V HA -0.239 3.880 4.120 -0.002 0.000 0.245 324 V C 2.452 178.499 176.094 -0.078 0.000 1.045 324 V CA 1.697 63.991 62.300 -0.010 0.000 1.024 324 V CB -0.663 31.254 31.823 0.156 0.000 0.651 324 V HN 0.520 nan 8.190 nan 0.000 0.449 325 I N 0.286 120.796 120.570 -0.100 0.000 2.208 325 I HA -0.254 3.914 4.170 -0.002 0.000 0.245 325 I C 2.537 178.626 176.117 -0.047 0.000 1.097 325 I CA 1.817 63.074 61.300 -0.071 0.000 1.363 325 I CB -1.195 36.753 38.000 -0.087 0.000 1.051 325 I HN 0.489 nan 8.210 nan 0.000 0.413 326 E N 0.369 120.538 120.200 -0.053 0.000 2.153 326 E HA -0.208 4.141 4.350 -0.002 0.000 0.194 326 E C 1.930 178.519 176.600 -0.017 0.000 0.988 326 E CA 0.764 57.139 56.400 -0.042 0.000 0.811 326 E CB -0.004 29.671 29.700 -0.042 0.000 0.746 326 E HN 0.450 nan 8.360 nan 0.000 0.466 327 E N 0.551 120.753 120.200 0.002 0.000 2.208 327 E HA -0.104 4.245 4.350 -0.002 0.000 0.193 327 E C 2.154 178.786 176.600 0.054 0.000 0.988 327 E CA 0.514 56.937 56.400 0.039 0.000 0.828 327 E CB -0.040 29.707 29.700 0.078 0.000 0.763 327 E HN 0.329 nan 8.360 nan 0.000 0.478 328 L N 0.736 121.981 121.223 0.037 0.000 2.044 328 L HA -0.132 4.207 4.340 -0.002 0.000 0.205 328 L C 2.655 179.560 176.870 0.058 0.000 1.075 328 L CA 1.800 56.682 54.840 0.070 0.000 0.747 328 L CB -0.585 41.519 42.059 0.074 0.000 0.903 328 L HN 0.201 nan 8.230 nan 0.000 0.435 329 T N -3.901 110.668 114.554 0.024 0.000 3.014 329 T HA 0.088 4.437 4.350 -0.002 0.000 0.263 329 T C 1.569 176.253 174.700 -0.028 0.000 1.078 329 T CA 0.648 62.752 62.100 0.007 0.000 1.135 329 T CB 0.096 68.950 68.868 -0.022 0.000 0.895 329 T HN 0.472 nan 8.240 nan 0.000 0.480 330 G N 0.577 109.360 108.800 -0.029 0.000 2.162 330 G HA2 -0.214 3.745 3.960 -0.002 0.000 0.260 330 G HA3 -0.214 3.745 3.960 -0.002 0.000 0.260 330 G C 0.074 174.921 174.900 -0.089 0.000 0.976 330 G CA 0.052 45.129 45.100 -0.038 0.000 0.655 330 G HN 0.775 nan 8.290 nan 0.000 0.533 331 V N 1.309 121.133 119.914 -0.149 0.000 2.294 331 V HA 0.453 4.572 4.120 -0.002 0.000 0.272 331 V C 0.715 176.730 176.094 -0.132 0.000 1.027 331 V CA -0.505 61.663 62.300 -0.220 0.000 0.823 331 V CB 1.070 32.588 31.823 -0.509 0.000 1.030 331 V HN 0.338 nan 8.190 nan 0.000 0.457 332 R N 3.025 123.473 120.500 -0.087 0.000 2.937 332 R HA 0.247 4.586 4.340 -0.002 0.000 0.264 332 R C 0.797 177.073 176.300 -0.040 0.000 1.334 332 R CA -0.021 56.048 56.100 -0.051 0.000 1.516 332 R CB 0.660 30.939 30.300 -0.036 0.000 1.187 332 R HN 0.773 nan 8.270 nan 0.000 0.609 333 S N 0.283 115.961 115.700 -0.036 0.000 2.539 333 S HA 0.165 4.634 4.470 -0.002 0.000 0.221 333 S C 0.215 174.814 174.600 -0.001 0.000 0.987 333 S CA -0.355 57.833 58.200 -0.020 0.000 0.929 333 S CB 0.259 63.449 63.200 -0.018 0.000 0.832 333 S HN 0.290 nan 8.310 nan 0.000 0.492 334 L N 2.009 123.238 121.223 0.010 0.000 2.493 334 L HA 0.681 5.019 4.340 -0.002 0.000 0.265 334 L C -2.928 173.965 176.870 0.039 0.000 0.954 334 L CA -1.536 53.326 54.840 0.037 0.000 0.844 334 L CB 1.495 43.601 42.059 0.078 0.000 1.302 334 L HN -0.100 nan 8.230 nan 0.000 0.405 335 P HA 0.258 nan 4.420 nan 0.000 0.274 335 P C -1.470 175.826 177.300 -0.006 0.000 1.246 335 P CA -0.318 62.774 63.100 -0.014 0.000 0.795 335 P CB 0.437 32.107 31.700 -0.051 0.000 1.006 336 D N 1.462 121.861 120.400 -0.001 0.000 2.336 336 D HA 0.070 4.709 4.640 -0.002 0.000 0.249 336 D C -1.513 174.715 176.300 -0.121 0.000 1.213 336 D CA -2.137 51.843 54.000 -0.034 0.000 0.870 336 D CB 0.428 41.342 40.800 0.189 0.000 1.076 336 D HN 0.118 nan 8.370 nan 0.000 0.483 337 P HA -0.087 nan 4.420 nan 0.000 0.233 337 P C 0.411 177.464 177.300 -0.412 0.000 1.167 337 P CA 0.694 63.543 63.100 -0.417 0.000 0.770 337 P CB -0.033 31.305 31.700 -0.603 0.000 0.837 338 Y N -2.186 118.044 120.300 -0.117 0.000 2.457 338 Y HA 0.071 4.619 4.550 -0.002 0.000 0.263 338 Y C 2.631 178.568 175.900 0.061 0.000 1.164 338 Y CA -0.022 58.070 58.100 -0.013 0.000 1.274 338 Y CB -0.843 37.558 38.460 -0.098 0.000 1.097 338 Y HN 0.045 nan 8.280 nan 0.000 0.523 339 H N 0.910 120.050 119.070 0.117 0.000 2.289 339 H HA -0.178 4.377 4.556 -0.002 0.000 0.294 339 H C 1.914 177.280 175.328 0.064 0.000 1.095 339 H CA 2.453 58.557 56.048 0.094 0.000 1.256 339 H CB 0.370 30.161 29.762 0.049 0.000 1.359 339 H HN 0.090 nan 8.280 nan 0.000 0.487 340 E N -0.267 120.033 120.200 0.167 0.000 2.072 340 E HA -0.139 4.210 4.350 -0.002 0.000 0.190 340 E C 2.169 178.805 176.600 0.060 0.000 0.982 340 E CA 0.661 57.123 56.400 0.103 0.000 0.803 340 E CB -0.652 29.117 29.700 0.115 0.000 0.755 340 E HN 0.474 nan 8.360 nan 0.000 0.453 341 F N 1.696 121.616 119.950 -0.050 0.000 2.091 341 F HA -0.206 4.320 4.527 -0.002 0.000 0.299 341 F C 2.047 177.798 175.800 -0.082 0.000 1.103 341 F CA 1.424 59.390 58.000 -0.057 0.000 1.228 341 F CB -0.299 38.678 39.000 -0.038 0.000 0.984 341 F HN -0.072 nan 8.300 nan 0.000 0.477 342 L N -0.686 120.413 121.223 -0.206 0.000 2.209 342 L HA 0.016 4.355 4.340 -0.002 0.000 0.207 342 L C 2.743 179.434 176.870 -0.298 0.000 1.094 342 L CA 0.756 55.381 54.840 -0.358 0.000 0.790 342 L CB -1.207 40.688 42.059 -0.273 0.000 0.932 342 L HN 0.185 nan 8.230 nan 0.000 0.447 343 A N 0.883 123.536 122.820 -0.278 0.000 1.940 343 A HA -0.175 4.144 4.320 -0.002 0.000 0.219 343 A C 2.340 179.820 177.584 -0.172 0.000 1.176 343 A CA 1.859 53.747 52.037 -0.249 0.000 0.631 343 A CB -1.241 17.601 19.000 -0.263 0.000 0.814 343 A HN 0.439 nan 8.150 nan 0.000 0.446 344 G N -1.228 107.471 108.800 -0.169 0.000 2.509 344 G HA2 0.080 4.039 3.960 -0.002 0.000 0.218 344 G HA3 0.080 4.039 3.960 -0.002 0.000 0.218 344 G C 0.827 175.634 174.900 -0.155 0.000 1.124 344 G CA 0.565 45.582 45.100 -0.138 0.000 0.776 344 G HN 0.513 nan 8.290 nan 0.000 0.547 345 M N -0.169 119.307 119.600 -0.205 0.000 2.114 345 M HA 0.436 4.914 4.480 -0.002 0.000 0.280 345 M C 1.584 177.808 176.300 -0.127 0.000 1.209 345 M CA -0.312 54.878 55.300 -0.183 0.000 1.044 345 M CB 0.538 32.995 32.600 -0.238 0.000 1.404 345 M HN 0.062 nan 8.290 nan 0.000 0.499 346 G N -0.677 108.065 108.800 -0.096 0.000 2.379 346 G HA2 0.341 4.299 3.960 -0.002 0.000 0.287 346 G HA3 0.341 4.299 3.960 -0.002 0.000 0.287 346 G C 0.777 175.637 174.900 -0.067 0.000 1.422 346 G CA 0.161 45.219 45.100 -0.070 0.000 1.081 346 G HN 1.106 nan 8.290 nan 0.000 0.569 347 G N -1.242 107.531 108.800 -0.046 0.000 2.232 347 G HA2 -0.277 3.682 3.960 -0.002 0.000 0.226 347 G HA3 -0.277 3.682 3.960 -0.002 0.000 0.226 347 G C 1.004 175.885 174.900 -0.031 0.000 0.996 347 G CA 0.892 45.972 45.100 -0.034 0.000 0.626 347 G HN 0.819 nan 8.290 nan 0.000 0.509 348 N N 1.080 119.757 118.700 -0.039 0.000 2.235 348 N HA 0.251 4.990 4.740 -0.002 0.000 0.209 348 N C 0.506 176.000 175.510 -0.028 0.000 1.122 348 N CA 1.140 54.171 53.050 -0.032 0.000 0.845 348 N CB 0.370 38.835 38.487 -0.037 0.000 1.004 348 N HN 0.710 nan 8.380 nan 0.000 0.499 349 T N -1.525 113.010 114.554 -0.031 0.000 2.824 349 T HA 0.373 4.722 4.350 -0.002 0.000 0.282 349 T C -0.313 174.358 174.700 -0.048 0.000 0.993 349 T CA -0.904 61.174 62.100 -0.037 0.000 0.967 349 T CB 1.559 70.406 68.868 -0.036 0.000 0.960 349 T HN -0.041 nan 8.240 nan 0.000 0.441 350 L N 4.796 125.977 121.223 -0.070 0.000 2.485 350 L HA 0.381 4.720 4.340 -0.002 0.000 0.279 350 L C -0.361 176.451 176.870 -0.097 0.000 1.124 350 L CA -0.241 54.536 54.840 -0.106 0.000 0.888 350 L CB -0.573 41.369 42.059 -0.196 0.000 1.217 350 L HN 0.665 nan 8.230 nan 0.000 0.464 351 L N 4.461 125.640 121.223 -0.073 0.000 2.418 351 L HA 0.199 4.538 4.340 -0.002 0.000 0.265 351 L C 1.199 178.029 176.870 -0.066 0.000 1.143 351 L CA -0.721 54.085 54.840 -0.057 0.000 0.809 351 L CB 0.455 42.491 42.059 -0.038 0.000 1.124 351 L HN 0.562 nan 8.230 nan 0.000 0.456 352 D N 1.730 122.098 120.400 -0.053 0.000 2.133 352 D HA -0.202 4.437 4.640 -0.002 0.000 0.195 352 D C 1.897 178.172 176.300 -0.042 0.000 0.997 352 D CA 1.848 55.819 54.000 -0.049 0.000 0.840 352 D CB 0.069 40.848 40.800 -0.034 0.000 0.947 352 D HN 0.709 nan 8.370 nan 0.000 0.452 353 A N 0.590 123.389 122.820 -0.034 0.000 1.968 353 A HA -0.159 4.159 4.320 -0.002 0.000 0.217 353 A C 2.058 179.621 177.584 -0.036 0.000 1.169 353 A CA 1.276 53.296 52.037 -0.028 0.000 0.638 353 A CB -0.365 18.624 19.000 -0.018 0.000 0.812 353 A HN 0.212 nan 8.150 nan 0.000 0.446 354 E N -0.594 119.580 120.200 -0.043 0.000 2.047 354 E HA -0.165 4.184 4.350 -0.002 0.000 0.191 354 E C 2.268 178.843 176.600 -0.042 0.000 0.987 354 E CA 1.013 57.384 56.400 -0.049 0.000 0.799 354 E CB -0.190 29.478 29.700 -0.053 0.000 0.752 354 E HN 0.578 nan 8.360 nan 0.000 0.449 355 R N 0.755 121.214 120.500 -0.069 0.000 2.096 355 R HA -0.189 4.150 4.340 -0.002 0.000 0.240 355 R C 2.226 178.528 176.300 0.004 0.000 1.139 355 R CA 1.556 57.619 56.100 -0.063 0.000 0.952 355 R CB -0.231 29.989 30.300 -0.132 0.000 0.854 355 R HN 0.177 nan 8.270 nan 0.000 0.436 356 A N 0.424 123.232 122.820 -0.019 0.000 1.930 356 A HA -0.029 4.290 4.320 -0.002 0.000 0.217 356 A C 2.324 179.894 177.584 -0.023 0.000 1.175 356 A CA 1.435 53.464 52.037 -0.014 0.000 0.627 356 A CB -0.633 18.355 19.000 -0.020 0.000 0.815 356 A HN 0.540 nan 8.150 nan 0.000 0.443 357 A N 0.168 122.965 122.820 -0.038 0.000 1.908 357 A HA -0.123 4.196 4.320 -0.002 0.000 0.218 357 A C 2.097 179.645 177.584 -0.060 0.000 1.181 357 A CA 1.637 53.634 52.037 -0.066 0.000 0.627 357 A CB -0.628 18.318 19.000 -0.089 0.000 0.818 357 A HN 0.501 nan 8.150 nan 0.000 0.445 358 I N -0.921 119.632 120.570 -0.028 0.000 2.315 358 I HA -0.204 3.964 4.170 -0.002 0.000 0.248 358 I C 2.475 178.582 176.117 -0.017 0.000 1.117 358 I CA 1.645 62.934 61.300 -0.019 0.000 1.404 358 I CB -0.247 37.788 38.000 0.058 0.000 1.071 358 I HN 0.328 nan 8.210 nan 0.000 0.419 359 E N 1.364 121.571 120.200 0.012 0.000 2.204 359 E HA -0.213 4.135 4.350 -0.002 0.000 0.194 359 E C 1.873 178.463 176.600 -0.015 0.000 0.989 359 E CA 1.154 57.557 56.400 0.006 0.000 0.824 359 E CB -0.082 29.632 29.700 0.022 0.000 0.756 359 E HN 0.430 nan 8.360 nan 0.000 0.477 360 E N -0.305 119.881 120.200 -0.024 0.000 2.267 360 E HA -0.169 4.179 4.350 -0.002 0.000 0.197 360 E C 1.339 177.920 176.600 -0.032 0.000 0.998 360 E CA 0.770 57.154 56.400 -0.027 0.000 0.830 360 E CB -0.012 29.668 29.700 -0.034 0.000 0.751 360 E HN 0.377 nan 8.360 nan 0.000 0.491 361 I N 0.010 120.555 120.570 -0.041 0.000 3.228 361 I HA -0.084 4.085 4.170 -0.002 0.000 0.279 361 I C 2.241 178.329 176.117 -0.048 0.000 1.221 361 I CA 0.413 61.684 61.300 -0.047 0.000 1.458 361 I CB -0.815 37.150 38.000 -0.058 0.000 1.105 361 I HN -0.045 nan 8.210 nan 0.000 0.445 362 V N 2.923 122.811 119.914 -0.044 0.000 2.278 362 V HA -0.206 3.912 4.120 -0.002 0.000 0.251 362 V C 0.003 176.075 176.094 -0.038 0.000 1.062 362 V CA 2.376 64.650 62.300 -0.042 0.000 1.038 362 V CB -2.026 29.776 31.823 -0.035 0.000 0.646 362 V HN 0.271 nan 8.190 nan 0.000 0.447 363 P HA -0.129 nan 4.420 nan 0.000 0.218 363 P C 1.620 178.895 177.300 -0.042 0.000 1.146 363 P CA 1.075 64.157 63.100 -0.030 0.000 0.813 363 P CB -0.088 31.599 31.700 -0.022 0.000 0.778 364 L N -1.703 119.487 121.223 -0.055 0.000 2.275 364 L HA -0.088 4.251 4.340 -0.002 0.000 0.215 364 L C 2.201 179.010 176.870 -0.100 0.000 1.119 364 L CA 1.364 56.154 54.840 -0.084 0.000 0.790 364 L CB -1.326 40.676 42.059 -0.094 0.000 0.919 364 L HN -0.027 nan 8.230 nan 0.000 0.443 365 L N -0.988 120.190 121.223 -0.075 0.000 2.191 365 L HA -0.175 4.164 4.340 -0.002 0.000 0.212 365 L C 2.562 179.397 176.870 -0.059 0.000 1.103 365 L CA 0.971 55.771 54.840 -0.067 0.000 0.769 365 L CB -0.782 41.250 42.059 -0.044 0.000 0.908 365 L HN 0.279 nan 8.230 nan 0.000 0.438 366 A N -0.547 122.242 122.820 -0.051 0.000 2.067 366 A HA -0.166 4.153 4.320 -0.002 0.000 0.219 366 A C 1.637 179.195 177.584 -0.044 0.000 1.158 366 A CA 1.467 53.483 52.037 -0.035 0.000 0.661 366 A CB -0.273 18.712 19.000 -0.025 0.000 0.801 366 A HN 0.338 nan 8.150 nan 0.000 0.452 367 D N -0.570 119.779 120.400 -0.084 0.000 2.339 367 D HA 0.201 4.840 4.640 -0.002 0.000 0.217 367 D C 0.712 176.892 176.300 -0.200 0.000 1.050 367 D CA 0.056 53.988 54.000 -0.114 0.000 0.856 367 D CB 0.131 40.851 40.800 -0.134 0.000 0.922 367 D HN 0.454 nan 8.370 nan 0.000 0.518 368 I N 0.000 120.468 120.570 -0.171 0.000 2.984 368 I HA 0.000 4.169 4.170 -0.002 0.000 0.288 368 I CA 0.000 61.222 61.300 -0.130 0.000 1.566 368 I CB 0.000 37.982 38.000 -0.031 0.000 1.214 368 I HN 0.000 nan 8.210 nan 0.000 0.494