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 1lnq_1_E DATA FIRST_RESID 19 DATA SEQUENCE PATRILLLVL AVIIYGTAGF HFIEGESWTV SLYWTFVTIA TVGYGDYSPS DATA SEQUENCE TPLGMYFTVT LIVLGIGTFA VAVERLLEFL XXXXXXXXXX XXXXXXXRHV DATA SEQUENCE VICGWSESTL ECLRELRGSE VFVLAEDENV RKKVLRSGAN FVHGDPTRVS DATA SEQUENCE DLEKANVRGA RAVIVDLESD SETIHCILGI RKIDESVRII AEAERYENIE DATA SEQUENCE QLRMAGADQV ISPFVISGRL MSRSIDDGYE AMFVQDVLAE ESTRRMVEVP DATA SEQUENCE IPEGSKLEGV SVLDADIHDV TGVIIIGVGR GDELIIDPPR DYSFRAGDII DATA SEQUENCE LGIGKPEEIE RLKNYISA 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 19 P HA 0.000 nan 4.420 nan 0.000 0.216 19 P C 0.000 177.297 177.300 -0.004 0.000 1.155 19 P CA 0.000 63.097 63.100 -0.004 0.000 0.800 19 P CB 0.000 31.698 31.700 -0.004 0.000 0.726 20 A N -1.010 121.807 122.820 -0.005 0.000 2.067 20 A HA 0.412 4.732 4.320 -0.000 0.000 0.217 20 A C 2.091 179.672 177.584 -0.005 0.000 1.156 20 A CA 2.874 54.908 52.037 -0.005 0.000 0.683 20 A CB -0.710 18.286 19.000 -0.007 0.000 0.808 20 A HN 1.028 nan 8.150 nan 0.000 0.455 21 T N -2.263 112.289 114.554 -0.004 0.000 3.069 21 T HA 0.401 4.751 4.350 -0.000 0.000 0.252 21 T C 1.719 176.417 174.700 -0.003 0.000 1.053 21 T CA 1.047 63.145 62.100 -0.004 0.000 0.964 21 T CB -0.297 68.568 68.868 -0.004 0.000 1.005 21 T HN 0.485 nan 8.240 nan 0.000 0.532 22 R N 0.384 120.882 120.500 -0.003 0.000 2.280 22 R HA 0.692 5.032 4.340 -0.000 0.000 0.195 22 R C 2.237 178.536 176.300 -0.003 0.000 0.935 22 R CA 0.989 57.087 56.100 -0.003 0.000 1.033 22 R CB -1.289 29.010 30.300 -0.003 0.000 0.964 22 R HN 0.808 nan 8.270 nan 0.000 0.489 23 I N -0.723 119.845 120.570 -0.003 0.000 3.226 23 I HA 0.522 4.692 4.170 -0.000 0.000 0.277 23 I C 2.510 178.625 176.117 -0.002 0.000 1.243 23 I CA 1.179 62.477 61.300 -0.003 0.000 1.459 23 I CB -0.681 37.317 38.000 -0.003 0.000 1.093 23 I HN 0.467 nan 8.210 nan 0.000 0.453 24 L N -0.729 120.493 121.223 -0.002 0.000 2.599 24 L HA 0.643 4.983 4.340 -0.000 0.000 0.230 24 L C 2.372 179.240 176.870 -0.002 0.000 1.141 24 L CA 1.541 56.379 54.840 -0.002 0.000 0.877 24 L CB -1.560 40.498 42.059 -0.002 0.000 1.009 24 L HN 0.944 nan 8.230 nan 0.000 0.447 25 L N -2.761 118.461 121.223 -0.002 0.000 2.515 25 L HA 0.593 4.933 4.340 -0.000 0.000 0.223 25 L C 2.662 179.531 176.870 -0.002 0.000 1.079 25 L CA 1.648 56.486 54.840 -0.002 0.000 0.857 25 L CB -0.909 41.149 42.059 -0.002 0.000 1.050 25 L HN 0.685 nan 8.230 nan 0.000 0.476 26 L N -0.980 120.242 121.223 -0.002 0.000 2.209 26 L HA 0.520 4.860 4.340 -0.000 0.000 0.207 26 L C 2.676 179.545 176.870 -0.002 0.000 1.094 26 L CA 1.920 56.759 54.840 -0.002 0.000 0.790 26 L CB -1.352 40.706 42.059 -0.002 0.000 0.932 26 L HN 0.702 nan 8.230 nan 0.000 0.447 27 V N -1.329 118.584 119.914 -0.002 0.000 3.573 27 V HA 0.406 4.525 4.120 -0.000 0.000 0.270 27 V C 2.345 178.439 176.094 -0.001 0.000 1.221 27 V CA 1.986 64.285 62.300 -0.001 0.000 1.163 27 V CB -0.493 31.329 31.823 -0.002 0.000 0.847 27 V HN 0.822 nan 8.190 nan 0.000 0.468 28 L N -1.975 119.247 121.223 -0.001 0.000 2.515 28 L HA 0.756 5.096 4.340 -0.000 0.000 0.223 28 L C 2.349 179.219 176.870 -0.001 0.000 1.079 28 L CA 1.669 56.509 54.840 -0.001 0.000 0.857 28 L CB -0.789 41.270 42.059 -0.001 0.000 1.050 28 L HN 0.561 nan 8.230 nan 0.000 0.476 29 A N -0.713 122.106 122.820 -0.001 0.000 2.132 29 A HA 0.434 4.754 4.320 -0.000 0.000 0.213 29 A C 2.243 179.827 177.584 -0.001 0.000 1.154 29 A CA 1.369 53.405 52.037 -0.001 0.000 0.753 29 A CB -0.531 18.469 19.000 -0.001 0.000 0.826 29 A HN 1.212 nan 8.150 nan 0.000 0.469 30 V N -0.561 119.353 119.914 -0.001 0.000 3.041 30 V HA 0.121 4.241 4.120 -0.000 0.000 0.260 30 V C 2.417 178.511 176.094 -0.001 0.000 1.105 30 V CA 2.071 64.371 62.300 -0.001 0.000 1.125 30 V CB -0.963 30.860 31.823 -0.001 0.000 0.730 30 V HN 0.558 nan 8.190 nan 0.000 0.479 31 I N -0.701 119.869 120.570 -0.001 0.000 3.030 31 I HA 0.326 4.496 4.170 -0.000 0.000 0.270 31 I C 2.318 178.435 176.117 -0.001 0.000 1.211 31 I CA 1.809 63.109 61.300 -0.001 0.000 1.479 31 I CB -0.670 37.330 38.000 -0.001 0.000 1.105 31 I HN 0.554 nan 8.210 nan 0.000 0.447 32 I N -1.420 119.149 120.570 -0.001 0.000 3.860 32 I HA 0.418 4.588 4.170 -0.000 0.000 0.319 32 I C 2.240 178.357 176.117 -0.001 0.000 1.279 32 I CA 1.345 62.645 61.300 -0.001 0.000 1.220 32 I CB -1.666 36.333 38.000 -0.001 0.000 1.027 32 I HN 0.803 nan 8.210 nan 0.000 0.428 33 Y N -0.642 119.658 120.300 -0.001 0.000 2.535 33 Y HA 0.498 5.048 4.550 -0.000 0.000 0.264 33 Y C 2.348 178.247 175.900 -0.001 0.000 1.087 33 Y CA 0.984 59.084 58.100 -0.001 0.000 1.285 33 Y CB -0.230 38.230 38.460 -0.001 0.000 1.200 33 Y HN 0.388 nan 8.280 nan 0.000 0.514 34 G N -0.707 108.093 108.800 -0.001 0.000 2.459 34 G HA2 0.176 4.136 3.960 -0.000 0.000 0.213 34 G HA3 0.176 4.136 3.960 -0.000 0.000 0.213 34 G C 1.595 176.495 174.900 -0.001 0.000 1.155 34 G CA 1.573 46.673 45.100 -0.001 0.000 0.811 34 G HN 0.716 nan 8.290 nan 0.000 0.534 35 T N 0.528 115.082 114.554 -0.001 0.000 3.081 35 T HA 0.568 4.918 4.350 -0.000 0.000 0.255 35 T C 2.247 176.947 174.700 -0.001 0.000 1.113 35 T CA 1.462 63.562 62.100 -0.001 0.000 1.082 35 T CB -0.095 68.773 68.868 -0.001 0.000 0.939 35 T HN 0.316 nan 8.240 nan 0.000 0.506 36 A N 1.169 123.989 122.820 -0.001 0.000 1.929 36 A HA 0.379 4.699 4.320 -0.000 0.000 0.216 36 A C 2.629 180.213 177.584 -0.001 0.000 1.176 36 A CA 1.494 53.531 52.037 -0.001 0.000 0.628 36 A CB -0.813 18.187 19.000 -0.001 0.000 0.816 36 A HN 0.499 nan 8.150 nan 0.000 0.444 37 G N -2.251 106.549 108.800 -0.001 0.000 2.744 37 G HA2 0.179 4.138 3.960 -0.000 0.000 0.211 37 G HA3 0.179 4.138 3.960 -0.000 0.000 0.211 37 G C 1.211 176.111 174.900 -0.000 0.000 1.143 37 G CA 1.121 46.221 45.100 -0.000 0.000 0.788 37 G HN 0.620 nan 8.290 nan 0.000 0.534 38 F N 0.029 119.979 119.950 -0.000 0.000 2.187 38 F HA 0.161 4.688 4.527 -0.000 0.000 0.295 38 F C 2.504 178.304 175.800 -0.000 0.000 1.091 38 F CA 1.852 59.852 58.000 -0.000 0.000 1.308 38 F CB -1.126 37.874 39.000 -0.000 0.000 1.030 38 F HN 0.547 nan 8.300 nan 0.000 0.487 39 H N -2.339 116.730 119.070 -0.000 0.000 2.539 39 H HA 0.409 4.964 4.556 -0.000 0.000 0.267 39 H C 1.963 177.291 175.328 -0.000 0.000 0.982 39 H CA 1.376 57.424 56.048 -0.000 0.000 1.146 39 H CB -1.326 28.436 29.762 -0.000 0.000 1.382 39 H HN 0.990 nan 8.280 nan 0.000 0.577 40 F N 0.051 120.001 119.950 -0.000 0.000 2.514 40 F HA 0.501 5.028 4.527 -0.000 0.000 0.281 40 F C 2.191 177.991 175.800 -0.000 0.000 1.060 40 F CA 0.618 58.618 58.000 -0.000 0.000 1.397 40 F CB -0.189 38.810 39.000 -0.000 0.000 1.129 40 F HN 0.572 nan 8.300 nan 0.000 0.620 41 I N 1.018 121.587 120.570 -0.000 0.000 3.731 41 I HA 0.702 4.872 4.170 -0.000 0.000 0.341 41 I C -0.052 176.065 176.117 -0.000 0.000 1.532 41 I CA 0.765 62.065 61.300 -0.000 0.000 1.163 41 I CB -1.229 36.771 38.000 -0.000 0.000 1.339 41 I HN 1.008 nan 8.210 nan 0.000 0.449 42 E N -0.616 119.584 120.200 -0.000 0.000 2.094 42 E HA 0.664 5.013 4.350 -0.000 0.000 0.237 42 E C 0.600 177.199 176.600 -0.000 0.000 1.460 42 E CA -0.264 56.135 56.400 -0.000 0.000 0.965 42 E CB -0.418 29.282 29.700 -0.000 0.000 1.641 42 E HN 1.701 nan 8.360 nan 0.000 0.532 43 G N 0.673 109.472 108.800 -0.000 0.000 2.307 43 G HA2 0.547 4.507 3.960 -0.000 0.000 0.271 43 G HA3 0.547 4.507 3.960 -0.000 0.000 0.271 43 G C 0.563 175.463 174.900 -0.000 0.000 1.191 43 G CA 0.985 46.085 45.100 -0.000 0.000 1.024 43 G HN 1.342 nan 8.290 nan 0.000 0.441 44 E N 0.662 120.862 120.200 -0.000 0.000 2.765 44 E HA 0.413 4.763 4.350 -0.000 0.000 0.256 44 E C 0.664 177.264 176.600 -0.000 0.000 0.935 44 E CA 0.736 57.136 56.400 -0.000 0.000 0.954 44 E CB -0.222 29.478 29.700 -0.000 0.000 0.908 44 E HN 2.038 nan 8.360 nan 0.000 0.500 45 S N -0.679 115.021 115.700 -0.000 0.000 2.862 45 S HA 0.404 4.874 4.470 -0.000 0.000 0.148 45 S C 0.708 175.308 174.600 -0.000 0.000 0.829 45 S CA 0.401 58.601 58.200 -0.000 0.000 0.991 45 S CB -1.198 62.002 63.200 -0.000 0.000 1.607 45 S HN 1.883 nan 8.310 nan 0.000 0.474 46 W N 0.910 122.209 121.300 -0.000 0.000 2.632 46 W HA 0.342 5.002 4.660 -0.000 0.000 0.248 46 W C 1.620 178.139 176.519 -0.000 0.000 1.259 46 W CA 1.733 59.078 57.345 -0.000 0.000 1.288 46 W CB -1.170 28.290 29.460 -0.000 0.000 1.136 46 W HN 1.142 nan 8.180 nan 0.000 0.640 47 T N -0.399 114.154 114.554 -0.000 0.000 2.866 47 T HA 0.346 4.696 4.350 -0.000 0.000 0.250 47 T C 1.744 176.444 174.700 -0.000 0.000 1.033 47 T CA 2.332 64.431 62.100 -0.000 0.000 1.145 47 T CB -0.649 68.219 68.868 -0.000 0.000 0.866 47 T HN 1.074 nan 8.240 nan 0.000 0.434 48 V N 1.234 121.147 119.914 -0.000 0.000 3.164 48 V HA 0.763 4.883 4.120 -0.000 0.000 0.388 48 V C 2.021 178.115 176.094 -0.000 0.000 1.279 48 V CA 0.936 63.236 62.300 -0.000 0.000 1.426 48 V CB -1.204 30.619 31.823 -0.000 0.000 1.330 48 V HN 0.676 nan 8.190 nan 0.000 0.511 49 S N 0.290 115.989 115.700 -0.000 0.000 2.412 49 S HA 0.241 4.711 4.470 -0.000 0.000 0.223 49 S C 1.995 176.594 174.600 -0.000 0.000 1.048 49 S CA 1.601 59.801 58.200 -0.000 0.000 0.954 49 S CB -0.246 62.954 63.200 -0.000 0.000 0.840 49 S HN 1.436 nan 8.310 nan 0.000 0.503 50 L N 0.356 121.579 121.223 -0.001 0.000 2.141 50 L HA 0.199 4.539 4.340 -0.000 0.000 0.209 50 L C 2.909 179.778 176.870 -0.000 0.000 1.094 50 L CA 2.297 57.136 54.840 -0.001 0.000 0.763 50 L CB -2.613 39.446 42.059 -0.001 0.000 0.908 50 L HN 0.839 nan 8.230 nan 0.000 0.437 51 Y N -2.750 117.550 120.300 -0.000 0.000 2.333 51 Y HA -0.079 4.471 4.550 -0.000 0.000 0.290 51 Y C 2.653 178.553 175.900 -0.000 0.000 1.144 51 Y CA 3.028 61.128 58.100 -0.000 0.000 1.228 51 Y CB -1.496 36.963 38.460 -0.000 0.000 0.985 51 Y HN 0.859 nan 8.280 nan 0.000 0.542 52 W N 0.022 121.322 121.300 -0.000 0.000 2.494 52 W HA 0.175 4.835 4.660 -0.000 0.000 0.286 52 W C 2.692 179.211 176.519 -0.000 0.000 1.218 52 W CA 2.403 59.748 57.345 -0.000 0.000 1.313 52 W CB -1.131 28.329 29.460 -0.000 0.000 1.105 52 W HN 0.632 nan 8.180 nan 0.000 0.561 53 T N -0.149 114.405 114.554 -0.001 0.000 2.701 53 T HA 0.074 4.424 4.350 -0.000 0.000 0.263 53 T C 2.230 176.929 174.700 -0.001 0.000 1.040 53 T CA 3.786 65.885 62.100 -0.001 0.000 1.147 53 T CB -1.134 67.734 68.868 -0.001 0.000 0.865 53 T HN 1.051 nan 8.240 nan 0.000 0.426 54 F N 1.462 121.412 119.950 -0.001 0.000 2.134 54 F HA 0.302 4.829 4.527 -0.000 0.000 0.299 54 F C 3.152 178.952 175.800 -0.001 0.000 1.097 54 F CA 2.039 60.039 58.000 -0.001 0.000 1.264 54 F CB -1.308 37.692 39.000 -0.001 0.000 1.001 54 F HN 0.429 nan 8.300 nan 0.000 0.479 55 V N 0.392 120.306 119.914 -0.000 0.000 2.343 55 V HA -0.110 4.010 4.120 -0.000 0.000 0.247 55 V C 2.539 178.633 176.094 -0.000 0.000 1.051 55 V CA 4.088 66.388 62.300 -0.000 0.000 1.036 55 V CB -1.797 30.026 31.823 -0.000 0.000 0.654 55 V HN 0.687 nan 8.190 nan 0.000 0.451 56 T N -0.363 114.191 114.554 -0.001 0.000 2.770 56 T HA 0.074 4.424 4.350 -0.000 0.000 0.263 56 T C 2.312 177.012 174.700 -0.001 0.000 1.039 56 T CA 3.328 65.428 62.100 -0.001 0.000 1.142 56 T CB -0.626 68.242 68.868 -0.001 0.000 0.868 56 T HN 1.160 nan 8.240 nan 0.000 0.435 57 I N 1.482 122.051 120.570 -0.001 0.000 2.361 57 I HA 0.508 4.678 4.170 -0.000 0.000 0.251 57 I C 2.689 178.806 176.117 -0.001 0.000 1.133 57 I CA 1.878 63.177 61.300 -0.001 0.000 1.413 57 I CB -1.702 36.298 38.000 -0.001 0.000 1.073 57 I HN 0.607 nan 8.210 nan 0.000 0.424 58 A N 0.436 123.255 122.820 -0.001 0.000 2.310 58 A HA 0.417 4.737 4.320 -0.000 0.000 0.230 58 A C 1.680 179.264 177.584 -0.001 0.000 1.294 58 A CA 1.183 53.219 52.037 -0.001 0.000 0.898 58 A CB -1.976 17.024 19.000 -0.001 0.000 0.917 58 A HN 2.198 nan 8.150 nan 0.000 0.491 59 T N -2.619 111.934 114.554 -0.001 0.000 3.703 59 T HA -0.131 4.218 4.350 -0.000 0.000 0.363 59 T C 1.493 176.192 174.700 -0.001 0.000 0.761 59 T CA 1.847 63.946 62.100 -0.001 0.000 1.855 59 T CB -2.286 66.582 68.868 -0.001 0.000 1.827 59 T HN 1.427 nan 8.240 nan 0.000 0.732 60 V N 0.042 119.955 119.914 -0.001 0.000 2.326 60 V HA 0.571 4.691 4.120 -0.000 0.000 0.237 60 V C 2.918 179.011 176.094 -0.000 0.000 1.044 60 V CA 1.731 64.031 62.300 -0.000 0.000 1.035 60 V CB -0.860 30.963 31.823 -0.000 0.000 0.675 60 V HN 2.341 nan 8.190 nan 0.000 0.470 61 G N -2.261 106.539 108.800 -0.000 0.000 2.272 61 G HA2 -0.184 3.775 3.960 -0.000 0.000 0.280 61 G HA3 -0.184 3.775 3.960 -0.000 0.000 0.280 61 G C 0.607 175.507 174.900 -0.000 0.000 1.067 61 G CA 1.227 46.327 45.100 -0.000 0.000 0.902 61 G HN 2.073 nan 8.290 nan 0.000 0.500 62 Y N -1.240 119.060 120.300 -0.000 0.000 2.081 62 Y HA 0.267 4.817 4.550 -0.000 0.000 0.280 62 Y C 3.059 178.959 175.900 -0.000 0.000 1.163 62 Y CA 2.347 60.447 58.100 -0.000 0.000 1.135 62 Y CB -0.206 38.254 38.460 -0.000 0.000 0.970 62 Y HN 2.232 nan 8.280 nan 0.000 0.498 63 G N -2.787 106.013 108.800 -0.000 0.000 2.174 63 G HA2 0.178 4.138 3.960 -0.000 0.000 0.140 63 G HA3 0.178 4.138 3.960 -0.000 0.000 0.140 63 G C 0.380 175.280 174.900 -0.000 0.000 1.031 63 G CA 0.849 45.949 45.100 -0.000 0.000 0.728 63 G HN 1.366 nan 8.290 nan 0.000 0.496 64 D N -0.990 119.409 120.400 -0.000 0.000 2.378 64 D HA 0.578 5.218 4.640 -0.000 0.000 0.227 64 D C 0.830 177.130 176.300 -0.000 0.000 1.012 64 D CA 1.604 55.604 54.000 -0.000 0.000 0.905 64 D CB -0.604 40.196 40.800 -0.000 0.000 0.895 64 D HN 2.119 nan 8.370 nan 0.000 0.532 65 Y N -2.916 117.384 120.300 -0.000 0.000 2.125 65 Y HA 0.579 5.129 4.550 -0.000 0.000 0.312 65 Y C 1.081 176.981 175.900 -0.000 0.000 1.227 65 Y CA -0.130 57.970 58.100 -0.000 0.000 1.527 65 Y CB 0.242 38.702 38.460 -0.000 0.000 1.308 65 Y HN 0.494 nan 8.280 nan 0.000 0.375 66 S N 2.061 117.761 115.700 -0.000 0.000 2.660 66 S HA 0.481 4.951 4.470 -0.000 0.000 0.228 66 S C 0.315 174.915 174.600 -0.000 0.000 0.966 66 S CA 0.302 58.502 58.200 -0.000 0.000 0.940 66 S CB -1.371 61.828 63.200 -0.000 0.000 0.773 66 S HN 2.508 nan 8.310 nan 0.000 0.535 67 P HA 0.122 nan 4.420 nan 0.000 0.014 67 P C 0.089 177.389 177.300 -0.000 0.000 0.567 67 P CA 1.267 64.366 63.100 -0.000 0.000 1.035 67 P CB -2.330 29.369 31.700 -0.000 0.000 1.909 68 S N -0.283 115.417 115.700 -0.000 0.000 2.448 68 S HA 0.806 5.276 4.470 -0.000 0.000 0.279 68 S C 1.228 175.828 174.600 -0.000 0.000 1.195 68 S CA 1.242 59.442 58.200 -0.000 0.000 1.051 68 S CB 0.406 63.606 63.200 -0.000 0.000 0.948 68 S HN 1.602 nan 8.310 nan 0.000 0.493 69 T N 0.715 115.269 114.554 -0.000 0.000 3.661 69 T HA 0.625 4.975 4.350 -0.000 0.000 0.287 69 T C -0.139 174.561 174.700 -0.000 0.000 0.892 69 T CA 1.582 63.681 62.100 -0.000 0.000 0.775 69 T CB -1.345 67.523 68.868 -0.000 0.000 1.216 69 T HN 1.580 nan 8.240 nan 0.000 0.850 70 P HA -0.123 nan 4.420 nan 0.000 0.223 70 P C 1.729 179.029 177.300 -0.000 0.000 0.505 70 P CA 3.770 66.870 63.100 -0.000 0.000 1.089 70 P CB -1.749 29.951 31.700 -0.000 0.000 0.496 71 L N -1.566 119.657 121.223 -0.000 0.000 2.179 71 L HA 0.570 4.910 4.340 -0.000 0.000 0.208 71 L C 2.859 179.728 176.870 -0.000 0.000 1.096 71 L CA 2.917 57.757 54.840 -0.000 0.000 0.779 71 L CB -1.709 40.350 42.059 -0.000 0.000 0.922 71 L HN 0.833 nan 8.230 nan 0.000 0.443 72 G N -2.014 106.786 108.800 -0.000 0.000 2.813 72 G HA2 0.231 4.191 3.960 -0.000 0.000 0.209 72 G HA3 0.231 4.191 3.960 -0.000 0.000 0.209 72 G C 1.523 176.422 174.900 -0.000 0.000 1.150 72 G CA 1.521 46.620 45.100 -0.000 0.000 0.785 72 G HN 0.844 nan 8.290 nan 0.000 0.535 73 M N -0.338 119.262 119.600 -0.000 0.000 2.506 73 M HA 0.391 4.871 4.480 -0.000 0.000 0.260 73 M C 2.527 178.827 176.300 -0.000 0.000 1.104 73 M CA 1.523 56.823 55.300 -0.000 0.000 1.112 73 M CB -1.719 30.881 32.600 -0.000 0.000 1.401 73 M HN 0.581 nan 8.290 nan 0.000 0.473 74 Y N -1.967 118.333 120.300 -0.000 0.000 2.365 74 Y HA 0.285 4.835 4.550 -0.000 0.000 0.293 74 Y C 2.438 178.338 175.900 -0.000 0.000 1.119 74 Y CA 1.794 59.894 58.100 -0.000 0.000 1.203 74 Y CB -1.310 37.150 38.460 -0.000 0.000 1.026 74 Y HN 0.856 nan 8.280 nan 0.000 0.549 75 F N 0.268 120.217 119.950 -0.000 0.000 2.569 75 F HA 0.263 4.789 4.527 -0.000 0.000 0.295 75 F C 2.473 178.273 175.800 -0.001 0.000 1.115 75 F CA 1.846 59.846 58.000 -0.000 0.000 1.450 75 F CB -1.351 37.649 39.000 -0.000 0.000 1.107 75 F HN 0.461 nan 8.300 nan 0.000 0.563 76 T N -0.729 113.825 114.554 -0.000 0.000 3.023 76 T HA 0.278 4.628 4.350 -0.000 0.000 0.266 76 T C 2.183 176.882 174.700 -0.001 0.000 1.093 76 T CA 1.820 63.920 62.100 -0.000 0.000 1.129 76 T CB -0.902 67.966 68.868 -0.000 0.000 0.899 76 T HN 0.933 nan 8.240 nan 0.000 0.491 77 V N 1.069 120.982 119.914 -0.001 0.000 2.719 77 V HA 0.289 4.409 4.120 -0.000 0.000 0.252 77 V C 2.836 178.929 176.094 -0.001 0.000 1.065 77 V CA 2.500 64.800 62.300 -0.001 0.000 1.086 77 V CB -1.604 30.219 31.823 -0.000 0.000 0.700 77 V HN 0.548 nan 8.190 nan 0.000 0.467 78 T N -0.613 113.941 114.554 -0.001 0.000 2.915 78 T HA 0.172 4.522 4.350 -0.000 0.000 0.269 78 T C 2.028 176.728 174.700 -0.001 0.000 1.071 78 T CA 2.759 64.859 62.100 -0.001 0.000 1.132 78 T CB -0.568 68.300 68.868 -0.001 0.000 0.878 78 T HN 1.126 nan 8.240 nan 0.000 0.479 79 L N 0.408 121.631 121.223 -0.001 0.000 2.478 79 L HA 0.603 4.943 4.340 -0.000 0.000 0.223 79 L C 2.971 179.841 176.870 -0.001 0.000 1.140 79 L CA 1.649 56.488 54.840 -0.001 0.000 0.842 79 L CB -1.759 40.300 42.059 -0.001 0.000 0.953 79 L HN 0.720 nan 8.230 nan 0.000 0.452 80 I N -1.897 118.673 120.570 -0.001 0.000 2.731 80 I HA 0.399 4.569 4.170 -0.000 0.000 0.260 80 I C 2.627 178.744 176.117 -0.001 0.000 1.138 80 I CA 1.751 63.051 61.300 -0.001 0.000 1.461 80 I CB -0.853 37.147 38.000 -0.001 0.000 1.128 80 I HN 0.430 nan 8.210 nan 0.000 0.438 81 V N 0.718 120.631 119.914 -0.001 0.000 2.270 81 V HA 0.110 4.230 4.120 -0.000 0.000 0.245 81 V C 2.600 178.693 176.094 -0.001 0.000 1.043 81 V CA 3.024 65.323 62.300 -0.001 0.000 1.014 81 V CB -1.135 30.688 31.823 -0.001 0.000 0.645 81 V HN 1.175 nan 8.190 nan 0.000 0.447 82 L N 0.620 121.842 121.223 -0.001 0.000 2.682 82 L HA 0.621 4.961 4.340 -0.000 0.000 0.240 82 L C 2.106 178.976 176.870 -0.001 0.000 1.178 82 L CA 1.282 56.121 54.840 -0.001 0.000 0.970 82 L CB -1.635 40.424 42.059 -0.001 0.000 1.179 82 L HN 0.566 nan 8.230 nan 0.000 0.435 83 G N -1.161 107.638 108.800 -0.001 0.000 2.511 83 G HA2 0.210 4.170 3.960 -0.000 0.000 0.217 83 G HA3 0.210 4.170 3.960 -0.000 0.000 0.217 83 G C 1.250 176.149 174.900 -0.001 0.000 1.133 83 G CA 1.521 46.620 45.100 -0.001 0.000 0.792 83 G HN 0.972 nan 8.290 nan 0.000 0.539 84 I N 0.247 120.816 120.570 -0.001 0.000 3.854 84 I HA 0.556 4.726 4.170 -0.000 0.000 0.312 84 I C 2.327 178.444 176.117 -0.001 0.000 1.273 84 I CA 0.972 62.271 61.300 -0.001 0.000 1.298 84 I CB -0.503 37.496 38.000 -0.001 0.000 1.071 84 I HN 0.161 nan 8.210 nan 0.000 0.428 85 G N -0.019 108.781 108.800 -0.001 0.000 3.279 85 G HA2 0.384 4.344 3.960 -0.000 0.000 0.230 85 G HA3 0.384 4.344 3.960 -0.000 0.000 0.230 85 G C 0.889 175.788 174.900 -0.001 0.000 1.230 85 G CA 1.336 46.435 45.100 -0.001 0.000 0.891 85 G HN 0.941 nan 8.290 nan 0.000 0.518 86 T N -3.384 111.169 114.554 -0.001 0.000 3.123 86 T HA 0.385 4.735 4.350 -0.000 0.000 0.259 86 T C 1.683 176.383 174.700 -0.001 0.000 0.871 86 T CA 0.963 63.062 62.100 -0.001 0.000 0.857 86 T CB -0.236 68.632 68.868 -0.001 0.000 1.267 86 T HN 0.323 nan 8.240 nan 0.000 0.556 87 F N 1.587 121.536 119.950 -0.001 0.000 2.220 87 F HA 0.691 5.218 4.527 -0.000 0.000 0.290 87 F C 2.690 178.489 175.800 -0.001 0.000 1.080 87 F CA 1.038 59.038 58.000 -0.001 0.000 1.318 87 F CB -0.921 38.078 39.000 -0.001 0.000 1.063 87 F HN 0.449 nan 8.300 nan 0.000 0.498 88 A N -0.205 122.614 122.820 -0.002 0.000 2.238 88 A HA 0.437 4.757 4.320 -0.000 0.000 0.208 88 A C 1.978 179.560 177.584 -0.002 0.000 1.177 88 A CA 1.412 53.448 52.037 -0.002 0.000 0.804 88 A CB -1.179 17.820 19.000 -0.002 0.000 0.823 88 A HN 1.210 nan 8.150 nan 0.000 0.482 89 V N -1.379 118.534 119.914 -0.002 0.000 2.484 89 V HA 0.376 4.496 4.120 -0.000 0.000 0.236 89 V C 2.493 178.585 176.094 -0.002 0.000 1.062 89 V CA 1.381 63.680 62.300 -0.002 0.000 1.081 89 V CB -1.326 30.496 31.823 -0.002 0.000 0.751 89 V HN 0.423 nan 8.190 nan 0.000 0.484 90 A N -0.094 122.725 122.820 -0.002 0.000 2.259 90 A HA 0.256 4.576 4.320 -0.000 0.000 0.212 90 A C 2.106 179.689 177.584 -0.001 0.000 1.178 90 A CA 2.169 54.206 52.037 -0.001 0.000 0.734 90 A CB -1.112 17.888 19.000 -0.001 0.000 0.774 90 A HN 1.342 nan 8.150 nan 0.000 0.481 91 V N -1.095 118.818 119.914 -0.001 0.000 2.273 91 V HA 0.063 4.183 4.120 -0.000 0.000 0.242 91 V C 2.348 178.441 176.094 -0.001 0.000 1.035 91 V CA 2.487 64.786 62.300 -0.001 0.000 1.013 91 V CB -1.286 30.536 31.823 -0.001 0.000 0.652 91 V HN 0.552 nan 8.190 nan 0.000 0.452 92 E N 0.519 120.718 120.200 -0.002 0.000 2.511 92 E HA 0.126 4.476 4.350 -0.000 0.000 0.196 92 E C 2.126 178.725 176.600 -0.002 0.000 1.066 92 E CA 1.386 57.785 56.400 -0.002 0.000 0.871 92 E CB -0.792 28.906 29.700 -0.003 0.000 0.863 92 E HN 0.904 nan 8.360 nan 0.000 0.520 93 R N -0.792 119.706 120.500 -0.002 0.000 2.237 93 R HA 0.613 4.953 4.340 -0.000 0.000 0.195 93 R C 2.523 178.823 176.300 -0.001 0.000 0.956 93 R CA 1.129 57.228 56.100 -0.002 0.000 1.029 93 R CB -1.106 29.193 30.300 -0.002 0.000 0.972 93 R HN 0.922 nan 8.270 nan 0.000 0.493 94 L N -0.685 120.537 121.223 -0.000 0.000 2.375 94 L HA 0.631 4.971 4.340 -0.000 0.000 0.215 94 L C 2.650 179.521 176.870 0.001 0.000 1.108 94 L CA 1.495 56.335 54.840 0.000 0.000 0.830 94 L CB -0.963 41.096 42.059 0.000 0.000 0.959 94 L HN 0.624 nan 8.230 nan 0.000 0.457 95 L N -1.450 119.774 121.223 0.001 0.000 2.640 95 L HA 0.700 5.040 4.340 -0.000 0.000 0.230 95 L C 1.910 178.782 176.870 0.003 0.000 1.123 95 L CA 1.367 56.208 54.840 0.002 0.000 0.900 95 L CB -1.261 40.799 42.059 0.001 0.000 1.146 95 L HN 0.716 nan 8.230 nan 0.000 0.484 96 E N -1.945 118.255 120.200 0.001 0.000 2.465 96 E HA 0.523 4.873 4.350 -0.000 0.000 0.195 96 E C 1.102 177.703 176.600 0.002 0.000 1.028 96 E CA 1.053 57.453 56.400 0.001 0.000 0.899 96 E CB -0.741 28.958 29.700 -0.002 0.000 1.032 96 E HN 1.591 nan 8.360 nan 0.000 0.468 97 F N -1.747 118.205 119.950 0.003 0.000 2.665 97 F HA 0.677 5.204 4.527 -0.000 0.000 0.328 97 F C 0.770 176.574 175.800 0.006 0.000 0.848 97 F CA 0.575 58.577 58.000 0.004 0.000 1.071 97 F CB 0.464 39.465 39.000 0.002 0.000 0.906 97 F HN 0.905 nan 8.300 nan 0.000 0.654 117 H N -2.571 116.533 119.070 0.056 0.000 2.797 117 H HA 0.758 5.314 4.556 -0.000 0.000 0.372 117 H C -0.887 174.500 175.328 0.098 0.000 1.168 117 H CA -1.274 54.841 56.048 0.111 0.000 1.163 117 H CB 2.155 32.011 29.762 0.156 0.000 1.778 117 H HN -0.118 nan 8.280 nan 0.000 0.551 118 V N 2.933 122.844 119.914 -0.004 0.000 2.459 118 V HA 0.262 4.382 4.120 -0.000 0.000 0.295 118 V C -0.295 175.729 176.094 -0.117 0.000 1.029 118 V CA -0.883 61.364 62.300 -0.088 0.000 0.874 118 V CB 1.479 33.312 31.823 0.015 0.000 0.985 118 V HN 0.608 nan 8.190 nan 0.000 0.438 119 V N 6.102 125.914 119.914 -0.171 0.000 2.435 119 V HA 0.489 4.609 4.120 -0.000 0.000 0.290 119 V C -0.170 175.924 176.094 0.001 0.000 1.030 119 V CA -0.364 61.886 62.300 -0.084 0.000 0.881 119 V CB 1.777 33.505 31.823 -0.159 0.000 0.983 119 V HN 0.686 nan 8.190 nan 0.000 0.445 120 I N 4.498 125.108 120.570 0.065 0.000 2.354 120 I HA 0.309 4.479 4.170 -0.000 0.000 0.286 120 I C -0.297 175.878 176.117 0.096 0.000 1.007 120 I CA -0.186 61.166 61.300 0.087 0.000 1.167 120 I CB 1.203 39.289 38.000 0.144 0.000 1.320 120 I HN 0.522 nan 8.210 nan 0.000 0.458 121 C N 5.774 125.111 119.300 0.061 0.000 2.373 121 C HA 0.696 5.155 4.460 -0.000 0.000 0.354 121 C C 0.866 175.903 174.990 0.078 0.000 1.249 121 C CA -0.106 58.945 59.018 0.055 0.000 1.784 121 C CB -0.692 27.062 27.740 0.024 0.000 2.408 121 C HN 1.048 nan 8.230 nan 0.000 0.542 122 G N 3.930 112.799 108.800 0.115 0.000 2.785 122 G HA2 -0.091 3.869 3.960 -0.000 0.000 0.686 122 G HA3 -0.091 3.869 3.960 -0.000 0.000 0.686 122 G C -0.895 174.151 174.900 0.243 0.000 1.155 122 G CA -0.498 44.685 45.100 0.139 0.000 0.760 122 G HN 1.002 nan 8.290 nan 0.000 0.624 123 W N 4.571 125.892 121.300 0.035 0.000 2.391 123 W HA 0.637 5.297 4.660 -0.000 0.000 0.312 123 W C 0.147 176.675 176.519 0.014 0.000 1.003 123 W CA -0.181 57.184 57.345 0.033 0.000 1.375 123 W CB 1.416 30.905 29.460 0.049 0.000 1.253 123 W HN 1.328 nan 8.180 nan 0.000 0.416 124 S N 2.912 118.333 115.700 -0.465 0.000 2.704 124 S HA 0.345 4.815 4.470 -0.000 0.000 0.296 124 S C 0.722 175.003 174.600 -0.532 0.000 1.138 124 S CA -0.548 57.402 58.200 -0.417 0.000 0.875 124 S CB 2.252 65.340 63.200 -0.187 0.000 1.151 124 S HN 0.435 nan 8.310 nan 0.000 0.500 125 E N 1.533 121.530 120.200 -0.338 0.000 2.070 125 E HA -0.123 4.227 4.350 -0.000 0.000 0.197 125 E C 2.186 178.642 176.600 -0.241 0.000 1.004 125 E CA 1.966 58.200 56.400 -0.275 0.000 0.805 125 E CB -0.876 28.740 29.700 -0.139 0.000 0.744 125 E HN 0.673 nan 8.360 nan 0.000 0.451 126 S N 0.662 116.255 115.700 -0.178 0.000 2.377 126 S HA -0.210 4.260 4.470 -0.000 0.000 0.224 126 S C 2.181 176.683 174.600 -0.163 0.000 1.042 126 S CA 2.029 60.147 58.200 -0.136 0.000 1.086 126 S CB -0.913 62.217 63.200 -0.116 0.000 0.995 126 S HN 0.301 nan 8.310 nan 0.000 0.428 127 T N 2.922 117.352 114.554 -0.206 0.000 2.624 127 T HA -0.153 4.197 4.350 -0.000 0.000 0.268 127 T C 1.718 176.262 174.700 -0.259 0.000 1.041 127 T CA 1.593 63.576 62.100 -0.194 0.000 1.159 127 T CB -0.698 68.045 68.868 -0.208 0.000 0.863 127 T HN 0.257 nan 8.240 nan 0.000 0.434 128 L N 0.936 121.835 121.223 -0.540 0.000 1.971 128 L HA -0.185 4.155 4.340 -0.000 0.000 0.215 128 L C 2.765 179.541 176.870 -0.156 0.000 1.072 128 L CA 1.751 56.317 54.840 -0.456 0.000 0.758 128 L CB -0.372 41.361 42.059 -0.544 0.000 0.889 128 L HN 0.192 nan 8.230 nan 0.000 0.433 129 E N -0.560 119.553 120.200 -0.145 0.000 2.171 129 E HA -0.288 4.062 4.350 -0.000 0.000 0.197 129 E C 2.147 178.719 176.600 -0.046 0.000 0.997 129 E CA 1.471 57.826 56.400 -0.075 0.000 0.810 129 E CB -0.889 28.768 29.700 -0.071 0.000 0.738 129 E HN 0.678 nan 8.360 nan 0.000 0.467 130 C N 0.280 119.549 119.300 -0.052 0.000 2.476 130 C HA -0.022 4.438 4.460 -0.000 0.000 0.278 130 C C 2.624 177.621 174.990 0.012 0.000 1.274 130 C CA 0.484 59.490 59.018 -0.020 0.000 1.713 130 C CB -1.090 26.637 27.740 -0.021 0.000 2.039 130 C HN 0.392 nan 8.230 nan 0.000 0.484 131 L N 1.475 122.719 121.223 0.035 0.000 2.349 131 L HA -0.031 4.309 4.340 -0.000 0.000 0.220 131 L C 2.537 179.444 176.870 0.063 0.000 1.130 131 L CA 1.684 56.574 54.840 0.085 0.000 0.791 131 L CB -0.891 41.281 42.059 0.189 0.000 0.918 131 L HN 0.322 nan 8.230 nan 0.000 0.444 132 R N -0.960 119.563 120.500 0.038 0.000 2.148 132 R HA -0.057 4.283 4.340 -0.000 0.000 0.223 132 R C 1.909 178.221 176.300 0.020 0.000 1.088 132 R CA 1.012 57.129 56.100 0.028 0.000 0.985 132 R CB 0.028 30.336 30.300 0.012 0.000 0.880 132 R HN 0.416 nan 8.270 nan 0.000 0.451 133 E N 0.443 120.652 120.200 0.015 0.000 2.075 133 E HA -0.021 4.329 4.350 -0.000 0.000 0.190 133 E C 1.676 178.288 176.600 0.019 0.000 0.969 133 E CA 0.679 57.086 56.400 0.012 0.000 0.815 133 E CB 0.031 29.734 29.700 0.005 0.000 0.776 133 E HN 0.298 nan 8.360 nan 0.000 0.457 134 L N 1.320 122.558 121.223 0.026 0.000 2.749 134 L HA 0.061 4.401 4.340 -0.000 0.000 0.245 134 L C 2.329 179.218 176.870 0.033 0.000 1.156 134 L CA 0.113 54.972 54.840 0.032 0.000 0.890 134 L CB -0.452 41.631 42.059 0.040 0.000 1.036 134 L HN 0.023 nan 8.230 nan 0.000 0.441 135 R N 1.380 121.897 120.500 0.029 0.000 2.119 135 R HA -0.152 4.188 4.340 -0.000 0.000 0.246 135 R C 1.694 178.006 176.300 0.020 0.000 1.146 135 R CA 1.454 57.569 56.100 0.025 0.000 0.962 135 R CB -0.304 30.009 30.300 0.021 0.000 0.863 135 R HN 0.429 nan 8.270 nan 0.000 0.442 136 G N -0.150 108.663 108.800 0.021 0.000 3.392 136 G HA2 0.149 4.109 3.960 -0.000 0.000 0.247 136 G HA3 0.149 4.109 3.960 -0.000 0.000 0.247 136 G C -0.870 174.047 174.900 0.028 0.000 1.161 136 G CA 0.399 45.512 45.100 0.021 0.000 1.739 136 G HN 0.408 nan 8.290 nan 0.000 0.619 137 S N -1.800 113.919 115.700 0.032 0.000 2.627 137 S HA 0.294 4.764 4.470 -0.000 0.000 0.268 137 S C -1.110 173.522 174.600 0.053 0.000 1.130 137 S CA -1.044 57.184 58.200 0.047 0.000 0.819 137 S CB 1.345 64.579 63.200 0.056 0.000 1.100 137 S HN 0.073 nan 8.310 nan 0.000 0.465 138 E N 0.887 121.144 120.200 0.094 0.000 2.159 138 E HA 0.405 4.755 4.350 -0.000 0.000 0.272 138 E C -0.942 175.763 176.600 0.175 0.000 1.138 138 E CA 0.067 56.549 56.400 0.137 0.000 0.915 138 E CB 0.943 30.802 29.700 0.264 0.000 1.028 138 E HN 0.433 nan 8.360 nan 0.000 0.423 139 V N 4.851 124.793 119.914 0.047 0.000 2.656 139 V HA 0.413 4.533 4.120 -0.000 0.000 0.307 139 V C -0.694 175.378 176.094 -0.036 0.000 1.051 139 V CA -0.758 61.594 62.300 0.086 0.000 0.893 139 V CB 1.341 33.197 31.823 0.055 0.000 0.999 139 V HN 0.410 nan 8.190 nan 0.000 0.426 140 F N 2.867 122.817 119.950 0.001 0.000 2.493 140 F HA 0.627 5.154 4.527 -0.000 0.000 0.329 140 F C -0.026 175.785 175.800 0.019 0.000 1.126 140 F CA -0.842 57.165 58.000 0.012 0.000 0.937 140 F CB 2.070 41.066 39.000 -0.006 0.000 1.146 140 F HN 0.146 nan 8.300 nan 0.000 0.442 141 V N 5.225 125.252 119.914 0.188 0.000 2.370 141 V HA 0.343 4.463 4.120 -0.000 0.000 0.283 141 V C -0.345 175.807 176.094 0.097 0.000 1.023 141 V CA -0.735 61.685 62.300 0.200 0.000 0.857 141 V CB 1.678 33.655 31.823 0.258 0.000 0.985 141 V HN 0.634 nan 8.190 nan 0.000 0.443 142 L N 5.695 126.949 121.223 0.052 0.000 2.280 142 L HA 0.875 5.214 4.340 -0.000 0.000 0.287 142 L C -0.006 176.855 176.870 -0.015 0.000 1.023 142 L CA -0.028 54.760 54.840 -0.087 0.000 0.819 142 L CB 0.957 42.985 42.059 -0.052 0.000 1.212 142 L HN 0.777 nan 8.230 nan 0.000 0.420 143 A N 3.813 126.590 122.820 -0.073 0.000 2.556 143 A HA 0.440 4.760 4.320 -0.000 0.000 0.294 143 A C 0.217 177.749 177.584 -0.087 0.000 1.091 143 A CA -0.575 51.504 52.037 0.070 0.000 0.704 143 A CB 1.608 20.795 19.000 0.313 0.000 1.300 143 A HN 0.801 nan 8.150 nan 0.000 0.406 144 E N 0.141 120.302 120.200 -0.065 0.000 2.051 144 E HA -0.105 4.245 4.350 -0.000 0.000 0.189 144 E C -0.176 176.297 176.600 -0.212 0.000 0.979 144 E CA 0.581 56.888 56.400 -0.156 0.000 0.803 144 E CB 0.115 29.789 29.700 -0.043 0.000 0.761 144 E HN 0.708 nan 8.360 nan 0.000 0.451 145 D N 1.006 121.377 120.400 -0.047 0.000 2.358 145 D HA -0.068 4.572 4.640 -0.000 0.000 0.258 145 D C 0.797 177.096 176.300 -0.002 0.000 1.223 145 D CA 0.175 54.172 54.000 -0.005 0.000 0.886 145 D CB 1.451 42.267 40.800 0.027 0.000 1.120 145 D HN -0.022 nan 8.370 nan 0.000 0.482 146 E N 4.016 124.277 120.200 0.102 0.000 2.077 146 E HA -0.222 4.128 4.350 -0.000 0.000 0.193 146 E C 1.182 177.753 176.600 -0.049 0.000 0.989 146 E CA 1.350 57.879 56.400 0.214 0.000 0.800 146 E CB -0.039 29.866 29.700 0.341 0.000 0.746 146 E HN 0.460 nan 8.360 nan 0.000 0.452 147 N N 0.185 118.860 118.700 -0.041 0.000 2.314 147 N HA -0.181 4.558 4.740 -0.000 0.000 0.191 147 N C 1.727 177.114 175.510 -0.205 0.000 1.007 147 N CA 1.433 54.430 53.050 -0.088 0.000 0.883 147 N CB -0.254 38.212 38.487 -0.036 0.000 0.969 147 N HN 0.143 nan 8.380 nan 0.000 0.441 148 V N 1.413 121.131 119.914 -0.326 0.000 2.237 148 V HA -0.259 3.861 4.120 -0.000 0.000 0.245 148 V C 2.465 178.050 176.094 -0.849 0.000 1.046 148 V CA 1.667 63.625 62.300 -0.570 0.000 1.007 148 V CB -0.572 30.835 31.823 -0.693 0.000 0.638 148 V HN 0.325 nan 8.190 nan 0.000 0.445 149 R N 0.769 120.503 120.500 -1.277 0.000 2.313 149 R HA -0.407 3.933 4.340 -0.000 0.000 0.218 149 R C 2.241 178.192 176.300 -0.583 0.000 1.104 149 R CA 3.125 58.527 56.100 -1.162 0.000 0.793 149 R CB -0.711 29.243 30.300 -0.578 0.000 0.964 149 R HN 0.488 nan 8.270 nan 0.000 0.377 150 K N -0.127 120.063 120.400 -0.350 0.000 2.117 150 K HA -0.300 4.020 4.320 -0.000 0.000 0.215 150 K C 2.344 178.814 176.600 -0.216 0.000 1.053 150 K CA 2.460 58.618 56.287 -0.215 0.000 0.935 150 K CB -0.290 32.123 32.500 -0.144 0.000 0.719 150 K HN 0.376 nan 8.250 nan 0.000 0.460 151 K N 0.796 121.033 120.400 -0.273 0.000 2.076 151 K HA -0.042 4.278 4.320 -0.000 0.000 0.204 151 K C 1.890 178.317 176.600 -0.288 0.000 1.051 151 K CA 0.645 56.814 56.287 -0.197 0.000 0.949 151 K CB 0.215 32.661 32.500 -0.090 0.000 0.726 151 K HN -0.079 nan 8.250 nan 0.000 0.443 152 V N 1.827 121.367 119.914 -0.624 0.000 2.828 152 V HA -0.222 3.898 4.120 -0.000 0.000 0.260 152 V C 1.982 177.909 176.094 -0.279 0.000 1.101 152 V CA 1.363 63.259 62.300 -0.672 0.000 1.123 152 V CB -0.340 30.979 31.823 -0.841 0.000 0.704 152 V HN 0.334 nan 8.190 nan 0.000 0.493 153 L N -1.168 119.919 121.223 -0.226 0.000 2.202 153 L HA 0.041 4.381 4.340 -0.000 0.000 0.205 153 L C 2.637 179.459 176.870 -0.080 0.000 1.083 153 L CA 0.765 55.530 54.840 -0.125 0.000 0.790 153 L CB -0.410 41.583 42.059 -0.110 0.000 0.942 153 L HN 0.137 nan 8.230 nan 0.000 0.452 154 R N -0.311 120.144 120.500 -0.076 0.000 2.159 154 R HA -0.039 4.301 4.340 -0.000 0.000 0.237 154 R C 0.475 176.771 176.300 -0.006 0.000 1.131 154 R CA 0.517 56.597 56.100 -0.033 0.000 0.982 154 R CB -0.131 30.157 30.300 -0.021 0.000 0.868 154 R HN 0.212 nan 8.270 nan 0.000 0.453 155 S N -0.572 115.130 115.700 0.003 0.000 2.541 155 S HA 0.260 4.730 4.470 -0.000 0.000 0.283 155 S C 0.494 175.099 174.600 0.009 0.000 1.196 155 S CA -0.717 57.510 58.200 0.044 0.000 1.062 155 S CB 1.889 65.171 63.200 0.136 0.000 1.009 155 S HN 0.362 nan 8.310 nan 0.000 0.502 156 G N 1.523 110.330 108.800 0.011 0.000 3.022 156 G HA2 0.377 4.337 3.960 -0.000 0.000 0.246 156 G HA3 0.377 4.337 3.960 -0.000 0.000 0.246 156 G C 0.131 175.012 174.900 -0.032 0.000 0.859 156 G CA 0.209 45.303 45.100 -0.012 0.000 1.941 156 G HN 0.860 nan 8.290 nan 0.000 0.589 157 A N 0.685 123.473 122.820 -0.053 0.000 2.479 157 A HA 0.740 5.060 4.320 -0.000 0.000 0.296 157 A C -0.311 177.180 177.584 -0.156 0.000 1.121 157 A CA -0.965 51.014 52.037 -0.096 0.000 0.743 157 A CB 1.390 20.378 19.000 -0.020 0.000 1.323 157 A HN 0.262 nan 8.150 nan 0.000 0.415 158 N N 0.272 118.793 118.700 -0.298 0.000 2.473 158 N HA 0.478 5.217 4.740 -0.000 0.000 0.291 158 N C -1.604 173.867 175.510 -0.066 0.000 1.083 158 N CA 0.046 52.918 53.050 -0.297 0.000 0.951 158 N CB 1.548 39.591 38.487 -0.740 0.000 1.164 158 N HN 0.529 nan 8.380 nan 0.000 0.480 159 F N 1.756 121.631 119.950 -0.126 0.000 2.420 159 F HA 0.402 4.929 4.527 -0.000 0.000 0.342 159 F C -0.538 175.286 175.800 0.041 0.000 1.113 159 F CA -0.827 57.133 58.000 -0.067 0.000 1.059 159 F CB 0.956 39.882 39.000 -0.122 0.000 1.128 159 F HN 0.072 nan 8.300 nan 0.000 0.475 160 V N 6.469 125.962 119.914 -0.702 0.000 2.325 160 V HA 0.135 4.255 4.120 -0.000 0.000 0.280 160 V C -0.375 175.194 176.094 -0.876 0.000 1.016 160 V CA -0.766 61.231 62.300 -0.505 0.000 0.818 160 V CB 0.669 32.399 31.823 -0.155 0.000 1.019 160 V HN 0.673 nan 8.190 nan 0.000 0.434 161 H N 4.078 122.643 119.070 -0.841 0.000 3.017 161 H HA 0.589 5.144 4.556 -0.000 0.000 0.276 161 H C 0.213 175.403 175.328 -0.230 0.000 1.062 161 H CA 1.122 56.858 56.048 -0.520 0.000 1.486 161 H CB 0.847 30.548 29.762 -0.101 0.000 1.507 161 H HN 0.809 nan 8.280 nan 0.000 0.508 162 G N 3.537 112.256 108.800 -0.134 0.000 2.430 162 G HA2 0.147 4.107 3.960 -0.000 0.000 0.300 162 G HA3 0.147 4.107 3.960 -0.000 0.000 0.300 162 G C -1.663 173.193 174.900 -0.074 0.000 1.330 162 G CA -0.791 44.312 45.100 0.005 0.000 0.813 162 G HN 0.553 nan 8.290 nan 0.000 0.487 163 D N 0.102 120.481 120.400 -0.035 0.000 2.381 163 D HA 0.505 5.145 4.640 -0.000 0.000 0.235 163 D C -1.056 175.211 176.300 -0.056 0.000 1.068 163 D CA -2.233 51.738 54.000 -0.048 0.000 0.832 163 D CB 2.251 43.027 40.800 -0.041 0.000 1.101 163 D HN 0.078 nan 8.370 nan 0.000 0.515 164 P HA -0.096 nan 4.420 nan 0.000 0.234 164 P C 0.582 177.842 177.300 -0.067 0.000 1.162 164 P CA 0.706 63.779 63.100 -0.044 0.000 0.759 164 P CB 0.297 31.984 31.700 -0.020 0.000 0.813 165 T N -1.460 113.020 114.554 -0.124 0.000 3.051 165 T HA 0.053 4.403 4.350 -0.000 0.000 0.255 165 T C 1.072 175.657 174.700 -0.193 0.000 1.085 165 T CA 0.085 62.032 62.100 -0.254 0.000 1.109 165 T CB 0.044 68.637 68.868 -0.458 0.000 0.921 165 T HN 0.104 nan 8.240 nan 0.000 0.488 166 R N 1.715 122.150 120.500 -0.107 0.000 2.216 166 R HA 0.306 4.646 4.340 -0.000 0.000 0.332 166 R C 1.003 177.289 176.300 -0.024 0.000 1.056 166 R CA -0.213 55.855 56.100 -0.052 0.000 0.901 166 R CB 0.618 30.896 30.300 -0.037 0.000 1.039 166 R HN -0.011 nan 8.270 nan 0.000 0.456 167 V N 2.856 122.769 119.914 -0.002 0.000 2.380 167 V HA -0.329 3.791 4.120 -0.000 0.000 0.251 167 V C 2.267 178.357 176.094 -0.006 0.000 1.063 167 V CA 2.375 64.677 62.300 0.003 0.000 1.055 167 V CB -0.531 31.300 31.823 0.015 0.000 0.657 167 V HN 0.956 nan 8.190 nan 0.000 0.455 168 S N 0.016 115.713 115.700 -0.006 0.000 2.387 168 S HA -0.280 4.190 4.470 -0.000 0.000 0.230 168 S C 1.629 176.220 174.600 -0.015 0.000 1.035 168 S CA 1.858 60.053 58.200 -0.009 0.000 1.014 168 S CB -0.512 62.684 63.200 -0.006 0.000 0.836 168 S HN 0.642 nan 8.310 nan 0.000 0.466 169 D N 1.270 121.659 120.400 -0.018 0.000 2.213 169 D HA 0.161 4.801 4.640 -0.000 0.000 0.205 169 D C 2.005 178.286 176.300 -0.033 0.000 0.961 169 D CA 0.466 54.452 54.000 -0.024 0.000 0.853 169 D CB -0.257 40.529 40.800 -0.023 0.000 0.967 169 D HN 0.359 nan 8.370 nan 0.000 0.496 170 L N 1.077 122.284 121.223 -0.028 0.000 2.046 170 L HA -0.163 4.177 4.340 -0.000 0.000 0.208 170 L C 2.246 179.097 176.870 -0.032 0.000 1.077 170 L CA 1.211 56.034 54.840 -0.028 0.000 0.747 170 L CB -0.263 41.786 42.059 -0.017 0.000 0.896 170 L HN 0.018 nan 8.230 nan 0.000 0.432 171 E N -0.115 120.069 120.200 -0.027 0.000 2.204 171 E HA -0.224 4.126 4.350 -0.000 0.000 0.195 171 E C 2.001 178.576 176.600 -0.041 0.000 0.990 171 E CA 0.727 57.109 56.400 -0.030 0.000 0.821 171 E CB 0.001 29.688 29.700 -0.022 0.000 0.750 171 E HN 0.423 nan 8.360 nan 0.000 0.477 172 K N 0.218 120.594 120.400 -0.039 0.000 2.360 172 K HA -0.077 4.243 4.320 -0.000 0.000 0.201 172 K C 1.600 178.163 176.600 -0.061 0.000 1.046 172 K CA 0.922 57.184 56.287 -0.043 0.000 0.945 172 K CB 0.103 32.581 32.500 -0.037 0.000 0.750 172 K HN 0.020 nan 8.250 nan 0.000 0.464 173 A N 0.910 123.686 122.820 -0.072 0.000 2.390 173 A HA 0.023 4.343 4.320 -0.000 0.000 0.232 173 A C 0.201 177.711 177.584 -0.124 0.000 1.233 173 A CA -0.326 51.642 52.037 -0.115 0.000 0.907 173 A CB 0.038 18.993 19.000 -0.075 0.000 0.967 173 A HN 0.391 nan 8.150 nan 0.000 0.512 174 N N 0.123 118.777 118.700 -0.077 0.000 2.608 174 N HA -0.143 4.597 4.740 -0.000 0.000 0.273 174 N C 0.613 176.148 175.510 0.041 0.000 1.133 174 N CA 0.672 53.700 53.050 -0.036 0.000 0.726 174 N CB -1.031 37.398 38.487 -0.097 0.000 0.890 174 N HN 0.148 nan 8.380 nan 0.000 0.548 175 V N 2.648 122.562 119.914 -0.000 0.000 2.427 175 V HA -0.192 3.928 4.120 -0.000 0.000 0.248 175 V C 2.426 178.536 176.094 0.027 0.000 1.051 175 V CA 2.079 64.379 62.300 -0.000 0.000 1.048 175 V CB -0.256 31.559 31.823 -0.014 0.000 0.666 175 V HN 0.533 nan 8.190 nan 0.000 0.456 176 R N 0.599 121.109 120.500 0.016 0.000 2.140 176 R HA -0.183 4.157 4.340 -0.000 0.000 0.250 176 R C 2.163 178.478 176.300 0.025 0.000 1.150 176 R CA 1.748 57.855 56.100 0.011 0.000 0.966 176 R CB -0.673 29.623 30.300 -0.005 0.000 0.869 176 R HN 0.575 nan 8.270 nan 0.000 0.445 177 G N -0.191 108.638 108.800 0.049 0.000 3.088 177 G HA2 0.271 4.231 3.960 -0.000 0.000 0.217 177 G HA3 0.271 4.231 3.960 -0.000 0.000 0.217 177 G C 0.097 175.115 174.900 0.196 0.000 1.159 177 G CA 0.088 45.222 45.100 0.056 0.000 0.760 177 G HN 0.363 nan 8.290 nan 0.000 0.550 178 A N 0.719 123.666 122.820 0.212 0.000 2.524 178 A HA 0.334 4.653 4.320 -0.000 0.000 0.250 178 A C 1.591 179.219 177.584 0.072 0.000 1.078 178 A CA -0.071 52.017 52.037 0.085 0.000 0.761 178 A CB 0.196 19.145 19.000 -0.086 0.000 1.012 178 A HN 0.385 nan 8.150 nan 0.000 0.500 179 R N 1.723 122.275 120.500 0.086 0.000 2.127 179 R HA 0.060 4.400 4.340 -0.000 0.000 0.238 179 R C 0.441 176.757 176.300 0.027 0.000 1.134 179 R CA 1.616 57.752 56.100 0.061 0.000 0.975 179 R CB -0.107 30.235 30.300 0.069 0.000 0.865 179 R HN 1.137 nan 8.270 nan 0.000 0.447 180 A N -0.925 121.897 122.820 0.003 0.000 2.590 180 A HA 0.448 4.767 4.320 -0.000 0.000 0.294 180 A C -1.598 175.972 177.584 -0.022 0.000 1.046 180 A CA -0.778 51.258 52.037 -0.003 0.000 0.684 180 A CB 1.542 20.545 19.000 0.005 0.000 1.279 180 A HN -0.025 nan 8.150 nan 0.000 0.415 181 V N 2.020 121.924 119.914 -0.017 0.000 2.459 181 V HA 0.532 4.652 4.120 -0.000 0.000 0.295 181 V C -0.228 175.862 176.094 -0.006 0.000 1.029 181 V CA -0.316 61.972 62.300 -0.020 0.000 0.874 181 V CB 1.479 33.291 31.823 -0.018 0.000 0.985 181 V HN 0.687 nan 8.190 nan 0.000 0.438 182 I N 4.509 125.080 120.570 0.001 0.000 2.336 182 I HA 0.512 4.682 4.170 -0.000 0.000 0.292 182 I C -0.702 175.420 176.117 0.009 0.000 0.991 182 I CA -0.640 60.662 61.300 0.005 0.000 1.227 182 I CB 1.887 39.894 38.000 0.011 0.000 1.366 182 I HN 0.290 nan 8.210 nan 0.000 0.466 183 V N 5.023 124.937 119.914 0.000 0.000 2.483 183 V HA 0.413 4.533 4.120 -0.000 0.000 0.297 183 V C -1.032 175.056 176.094 -0.009 0.000 1.027 183 V CA -0.381 61.920 62.300 0.003 0.000 0.855 183 V CB 1.972 33.797 31.823 0.003 0.000 0.995 183 V HN 0.704 nan 8.190 nan 0.000 0.424 184 D N 4.506 124.903 120.400 -0.005 0.000 2.319 184 D HA 0.448 5.088 4.640 -0.000 0.000 0.237 184 D C -0.894 175.402 176.300 -0.006 0.000 1.353 184 D CA -0.185 53.801 54.000 -0.024 0.000 0.992 184 D CB 0.821 41.591 40.800 -0.050 0.000 1.368 184 D HN 0.350 nan 8.370 nan 0.000 0.564 185 L N 1.907 123.128 121.223 -0.003 0.000 2.376 185 L HA 0.495 4.835 4.340 -0.000 0.000 0.267 185 L C 1.789 178.661 176.870 0.004 0.000 1.035 185 L CA -0.951 53.895 54.840 0.010 0.000 0.800 185 L CB 0.994 43.059 42.059 0.012 0.000 1.290 185 L HN 0.320 nan 8.230 nan 0.000 0.462 186 E N 0.310 120.519 120.200 0.015 0.000 2.160 186 E HA -0.122 4.228 4.350 -0.000 0.000 0.195 186 E C 0.140 176.750 176.600 0.017 0.000 0.991 186 E CA 1.240 57.651 56.400 0.017 0.000 0.810 186 E CB 0.096 29.811 29.700 0.026 0.000 0.742 186 E HN 0.597 nan 8.360 nan 0.000 0.466 187 S N -0.070 115.639 115.700 0.016 0.000 2.571 187 S HA 0.197 4.666 4.470 -0.000 0.000 0.284 187 S C 0.069 174.677 174.600 0.013 0.000 1.128 187 S CA -0.963 57.248 58.200 0.018 0.000 0.970 187 S CB 2.073 65.288 63.200 0.025 0.000 1.039 187 S HN -0.194 nan 8.310 nan 0.000 0.485 188 D N 2.534 122.937 120.400 0.005 0.000 2.191 188 D HA -0.132 4.508 4.640 -0.000 0.000 0.195 188 D C 1.798 178.107 176.300 0.014 0.000 1.003 188 D CA 1.824 55.824 54.000 -0.001 0.000 0.867 188 D CB -0.346 40.449 40.800 -0.008 0.000 0.926 188 D HN 0.590 nan 8.370 nan 0.000 0.450 189 S N 0.690 116.404 115.700 0.023 0.000 2.351 189 S HA -0.186 4.284 4.470 -0.000 0.000 0.220 189 S C 1.834 176.477 174.600 0.072 0.000 1.035 189 S CA 1.098 59.321 58.200 0.038 0.000 1.031 189 S CB -0.265 62.959 63.200 0.040 0.000 0.928 189 S HN 0.421 nan 8.310 nan 0.000 0.433 190 E N 0.457 120.696 120.200 0.064 0.000 2.118 190 E HA -0.123 4.227 4.350 -0.000 0.000 0.195 190 E C 2.165 178.808 176.600 0.072 0.000 0.992 190 E CA 1.467 57.909 56.400 0.070 0.000 0.804 190 E CB -0.390 29.325 29.700 0.025 0.000 0.741 190 E HN 0.441 nan 8.360 nan 0.000 0.458 191 T N 1.750 116.330 114.554 0.044 0.000 2.737 191 T HA -0.116 4.234 4.350 -0.000 0.000 0.265 191 T C 1.906 176.635 174.700 0.049 0.000 1.038 191 T CA 0.765 62.885 62.100 0.033 0.000 1.144 191 T CB -0.090 68.782 68.868 0.007 0.000 0.866 191 T HN 0.060 nan 8.240 nan 0.000 0.434 192 I N 1.259 121.855 120.570 0.043 0.000 2.194 192 I HA -0.213 3.957 4.170 -0.000 0.000 0.246 192 I C 2.310 178.465 176.117 0.063 0.000 1.093 192 I CA 1.558 62.877 61.300 0.031 0.000 1.355 192 I CB -1.390 36.615 38.000 0.009 0.000 1.046 192 I HN 0.353 nan 8.210 nan 0.000 0.413 193 H N 0.778 119.844 119.070 -0.007 0.000 2.253 193 H HA -0.219 4.337 4.556 -0.000 0.000 0.296 193 H C 2.588 177.913 175.328 -0.005 0.000 1.067 193 H CA 2.284 58.329 56.048 -0.005 0.000 1.245 193 H CB -0.640 29.121 29.762 -0.001 0.000 1.364 193 H HN 0.405 nan 8.280 nan 0.000 0.494 194 C N 0.964 120.374 119.300 0.184 0.000 2.382 194 C HA -0.213 4.247 4.460 -0.000 0.000 0.274 194 C C 3.088 178.120 174.990 0.071 0.000 1.180 194 C CA 1.427 60.493 59.018 0.081 0.000 1.799 194 C CB -1.546 26.211 27.740 0.029 0.000 2.094 194 C HN 0.559 nan 8.230 nan 0.000 0.468 195 I N 0.226 120.831 120.570 0.059 0.000 2.076 195 I HA -0.227 3.943 4.170 -0.000 0.000 0.237 195 I C 2.607 178.745 176.117 0.034 0.000 1.059 195 I CA 1.950 63.270 61.300 0.033 0.000 1.317 195 I CB -0.634 37.378 38.000 0.019 0.000 1.037 195 I HN 0.374 nan 8.210 nan 0.000 0.398 196 L N 0.583 121.827 121.223 0.034 0.000 2.021 196 L HA -0.245 4.095 4.340 -0.000 0.000 0.215 196 L C 2.688 179.582 176.870 0.038 0.000 1.074 196 L CA 1.822 56.673 54.840 0.019 0.000 0.760 196 L CB -1.451 40.599 42.059 -0.015 0.000 0.889 196 L HN 0.409 nan 8.230 nan 0.000 0.433 197 G N 0.408 109.258 108.800 0.082 0.000 2.514 197 G HA2 -0.272 3.688 3.960 -0.000 0.000 0.217 197 G HA3 -0.272 3.688 3.960 -0.000 0.000 0.217 197 G C 1.527 176.449 174.900 0.037 0.000 1.198 197 G CA 1.095 46.240 45.100 0.075 0.000 0.780 197 G HN 0.301 nan 8.290 nan 0.000 0.565 198 I N 0.059 120.646 120.570 0.029 0.000 2.091 198 I HA -0.240 3.930 4.170 -0.000 0.000 0.239 198 I C 3.073 179.197 176.117 0.011 0.000 1.061 198 I CA 1.258 62.566 61.300 0.014 0.000 1.317 198 I CB -0.334 37.672 38.000 0.009 0.000 1.031 198 I HN 0.052 nan 8.210 nan 0.000 0.401 199 R N 1.074 121.580 120.500 0.012 0.000 2.133 199 R HA -0.261 4.079 4.340 -0.000 0.000 0.245 199 R C 2.120 178.424 176.300 0.006 0.000 1.137 199 R CA 1.586 57.690 56.100 0.007 0.000 0.947 199 R CB -0.991 29.311 30.300 0.004 0.000 0.865 199 R HN 0.386 nan 8.270 nan 0.000 0.437 200 K N 0.345 120.751 120.400 0.010 0.000 2.444 200 K HA -0.147 4.173 4.320 -0.000 0.000 0.200 200 K C 1.681 178.285 176.600 0.006 0.000 1.045 200 K CA 1.147 57.440 56.287 0.009 0.000 0.934 200 K CB 0.044 32.553 32.500 0.015 0.000 0.756 200 K HN 0.221 nan 8.250 nan 0.000 0.477 201 I N -1.437 119.136 120.570 0.006 0.000 3.744 201 I HA 0.009 4.179 4.170 -0.000 0.000 0.240 201 I C 0.524 176.642 176.117 0.002 0.000 1.096 201 I CA -0.310 60.992 61.300 0.002 0.000 1.558 201 I CB 0.149 38.150 38.000 0.001 0.000 1.531 201 I HN -0.041 nan 8.210 nan 0.000 0.459 202 D N 2.305 122.707 120.400 0.002 0.000 2.454 202 D HA 0.079 4.719 4.640 -0.000 0.000 0.225 202 D C 0.142 176.445 176.300 0.003 0.000 1.081 202 D CA -0.157 53.845 54.000 0.003 0.000 0.864 202 D CB 1.110 41.914 40.800 0.005 0.000 1.040 202 D HN 0.414 nan 8.370 nan 0.000 0.517 203 E N 1.268 121.470 120.200 0.003 0.000 2.365 203 E HA 0.068 4.418 4.350 -0.000 0.000 0.188 203 E C 0.279 176.880 176.600 0.003 0.000 1.102 203 E CA -0.039 56.362 56.400 0.002 0.000 0.927 203 E CB 0.295 29.995 29.700 0.001 0.000 1.073 203 E HN 0.015 nan 8.360 nan 0.000 0.467 204 S N -0.102 115.601 115.700 0.004 0.000 2.817 204 S HA 0.131 4.601 4.470 -0.000 0.000 0.262 204 S C 0.165 174.769 174.600 0.007 0.000 1.051 204 S CA -0.463 57.740 58.200 0.005 0.000 1.185 204 S CB 1.017 64.220 63.200 0.006 0.000 1.152 204 S HN 0.111 nan 8.310 nan 0.000 0.653 205 V N 3.123 123.041 119.914 0.007 0.000 2.740 205 V HA 0.159 4.279 4.120 -0.000 0.000 0.303 205 V C 0.753 176.850 176.094 0.006 0.000 1.054 205 V CA -0.043 62.261 62.300 0.008 0.000 1.106 205 V CB 0.337 32.163 31.823 0.006 0.000 0.957 205 V HN 0.348 nan 8.190 nan 0.000 0.486 206 R N 4.779 125.283 120.500 0.007 0.000 2.351 206 R HA 0.307 4.647 4.340 -0.000 0.000 0.318 206 R C -0.692 175.610 176.300 0.003 0.000 1.055 206 R CA -0.051 56.053 56.100 0.006 0.000 0.968 206 R CB 0.029 30.334 30.300 0.008 0.000 0.974 206 R HN 0.676 nan 8.270 nan 0.000 0.439 207 I N 6.718 127.289 120.570 0.001 0.000 2.359 207 I HA 0.290 4.460 4.170 -0.000 0.000 0.294 207 I C -0.117 175.999 176.117 -0.002 0.000 0.987 207 I CA -0.760 60.540 61.300 -0.001 0.000 1.225 207 I CB 1.590 39.590 38.000 -0.000 0.000 1.366 207 I HN 0.571 nan 8.210 nan 0.000 0.466 208 I N 5.975 126.543 120.570 -0.004 0.000 2.418 208 I HA 0.616 4.786 4.170 -0.000 0.000 0.287 208 I C -0.186 175.924 176.117 -0.011 0.000 1.008 208 I CA -0.427 60.869 61.300 -0.006 0.000 1.104 208 I CB 1.848 39.844 38.000 -0.006 0.000 1.264 208 I HN 0.565 nan 8.210 nan 0.000 0.438 209 A N 5.130 127.940 122.820 -0.016 0.000 2.413 209 A HA 0.681 5.001 4.320 -0.000 0.000 0.307 209 A C -0.838 176.724 177.584 -0.037 0.000 1.087 209 A CA -0.590 51.433 52.037 -0.023 0.000 0.750 209 A CB 1.869 20.858 19.000 -0.018 0.000 1.296 209 A HN 0.763 nan 8.150 nan 0.000 0.423 210 E N 0.935 121.103 120.200 -0.053 0.000 2.242 210 E HA 0.651 5.001 4.350 -0.000 0.000 0.275 210 E C -0.464 176.080 176.600 -0.093 0.000 1.002 210 E CA -0.677 55.671 56.400 -0.085 0.000 0.841 210 E CB 1.516 31.149 29.700 -0.112 0.000 1.109 210 E HN 0.857 nan 8.360 nan 0.000 0.394 211 A N 3.883 126.636 122.820 -0.112 0.000 2.303 211 A HA 0.267 4.587 4.320 -0.000 0.000 0.320 211 A C 0.331 177.811 177.584 -0.173 0.000 1.192 211 A CA -0.640 51.338 52.037 -0.098 0.000 0.821 211 A CB 1.181 20.150 19.000 -0.051 0.000 1.188 211 A HN 0.816 nan 8.150 nan 0.000 0.492 212 E N 1.399 121.509 120.200 -0.149 0.000 2.216 212 E HA -0.015 4.335 4.350 -0.000 0.000 0.192 212 E C 0.125 176.690 176.600 -0.059 0.000 0.988 212 E CA 0.890 57.168 56.400 -0.204 0.000 0.834 212 E CB 0.224 29.877 29.700 -0.079 0.000 0.772 212 E HN 0.634 nan 8.360 nan 0.000 0.479 213 R N -0.118 120.386 120.500 0.007 0.000 2.561 213 R HA 0.162 4.501 4.340 -0.000 0.000 0.297 213 R C 0.323 176.682 176.300 0.099 0.000 0.969 213 R CA -0.500 55.652 56.100 0.087 0.000 0.879 213 R CB 1.144 31.490 30.300 0.076 0.000 1.178 213 R HN -0.064 nan 8.270 nan 0.000 0.445 214 Y N 2.752 123.067 120.300 0.024 0.000 2.181 214 Y HA -0.253 4.297 4.550 -0.000 0.000 0.284 214 Y C 1.046 176.951 175.900 0.008 0.000 1.179 214 Y CA 2.100 60.208 58.100 0.015 0.000 1.179 214 Y CB 0.190 38.666 38.460 0.027 0.000 0.973 214 Y HN 0.649 nan 8.280 nan 0.000 0.519 215 E N -0.562 119.565 120.200 -0.121 0.000 2.510 215 E HA -0.147 4.203 4.350 -0.000 0.000 0.202 215 E C 0.798 177.299 176.600 -0.165 0.000 1.072 215 E CA 0.792 57.071 56.400 -0.201 0.000 0.883 215 E CB -0.148 29.514 29.700 -0.064 0.000 0.818 215 E HN 0.536 nan 8.360 nan 0.000 0.548 216 N N 0.051 118.677 118.700 -0.124 0.000 2.171 216 N HA 0.157 4.897 4.740 -0.000 0.000 0.212 216 N C 1.326 176.782 175.510 -0.090 0.000 1.184 216 N CA 0.001 52.998 53.050 -0.088 0.000 0.888 216 N CB 0.508 38.967 38.487 -0.047 0.000 1.038 216 N HN 0.167 nan 8.380 nan 0.000 0.517 217 I N 1.101 121.599 120.570 -0.120 0.000 2.248 217 I HA -0.260 3.909 4.170 -0.000 0.000 0.248 217 I C 2.329 178.404 176.117 -0.070 0.000 1.107 217 I CA 1.418 62.672 61.300 -0.078 0.000 1.373 217 I CB -0.006 37.957 38.000 -0.061 0.000 1.055 217 I HN 0.191 nan 8.210 nan 0.000 0.418 218 E N 0.639 120.780 120.200 -0.097 0.000 2.046 218 E HA -0.239 4.111 4.350 -0.000 0.000 0.190 218 E C 2.224 178.793 176.600 -0.053 0.000 0.982 218 E CA 0.992 57.350 56.400 -0.070 0.000 0.800 218 E CB 0.123 29.773 29.700 -0.082 0.000 0.756 218 E HN 0.433 nan 8.360 nan 0.000 0.449 219 Q N 0.482 120.247 119.800 -0.057 0.000 2.124 219 Q HA -0.127 4.213 4.340 -0.000 0.000 0.202 219 Q C 2.156 178.136 176.000 -0.034 0.000 0.977 219 Q CA 1.002 56.779 55.803 -0.043 0.000 0.850 219 Q CB -0.112 28.601 28.738 -0.043 0.000 0.901 219 Q HN 0.293 nan 8.270 nan 0.000 0.429 220 L N -0.101 121.101 121.223 -0.035 0.000 2.131 220 L HA -0.200 4.140 4.340 -0.000 0.000 0.210 220 L C 2.332 179.190 176.870 -0.021 0.000 1.092 220 L CA 1.210 56.035 54.840 -0.026 0.000 0.759 220 L CB -0.058 41.984 42.059 -0.028 0.000 0.903 220 L HN 0.197 nan 8.230 nan 0.000 0.435 221 R N -0.968 119.518 120.500 -0.024 0.000 2.066 221 R HA -0.032 4.308 4.340 -0.000 0.000 0.224 221 R C 2.280 178.570 176.300 -0.017 0.000 1.122 221 R CA 1.099 57.188 56.100 -0.018 0.000 0.974 221 R CB -0.250 30.040 30.300 -0.017 0.000 0.871 221 R HN 0.326 nan 8.270 nan 0.000 0.435 222 M N 0.519 120.106 119.600 -0.021 0.000 2.089 222 M HA -0.190 4.289 4.480 -0.000 0.000 0.257 222 M C 2.526 178.815 176.300 -0.018 0.000 1.071 222 M CA 2.023 57.310 55.300 -0.020 0.000 1.096 222 M CB -0.607 31.978 32.600 -0.025 0.000 1.330 222 M HN 0.184 nan 8.290 nan 0.000 0.403 223 A N -0.340 122.468 122.820 -0.020 0.000 2.024 223 A HA 0.034 4.354 4.320 -0.000 0.000 0.220 223 A C 1.923 179.500 177.584 -0.010 0.000 1.164 223 A CA 1.915 53.942 52.037 -0.017 0.000 0.643 223 A CB -0.780 18.211 19.000 -0.015 0.000 0.806 223 A HN 0.764 nan 8.150 nan 0.000 0.451 224 G N -3.438 105.357 108.800 -0.009 0.000 2.370 224 G HA2 0.296 4.256 3.960 -0.000 0.000 0.174 224 G HA3 0.296 4.256 3.960 -0.000 0.000 0.174 224 G C 0.271 175.169 174.900 -0.004 0.000 1.002 224 G CA 0.068 45.165 45.100 -0.005 0.000 0.730 224 G HN 1.402 nan 8.290 nan 0.000 0.497 225 A N 0.472 123.289 122.820 -0.005 0.000 2.477 225 A HA 0.544 4.864 4.320 -0.000 0.000 0.246 225 A C 1.081 178.663 177.584 -0.004 0.000 1.078 225 A CA 0.891 52.925 52.037 -0.005 0.000 0.770 225 A CB 0.345 19.340 19.000 -0.008 0.000 1.011 225 A HN 0.167 nan 8.150 nan 0.000 0.494 226 D N 0.039 120.438 120.400 -0.003 0.000 2.262 226 D HA 0.041 4.681 4.640 -0.000 0.000 0.212 226 D C 0.481 176.781 176.300 -0.001 0.000 0.964 226 D CA 1.119 55.118 54.000 -0.001 0.000 0.875 226 D CB 0.331 41.132 40.800 0.002 0.000 0.996 226 D HN 0.642 nan 8.370 nan 0.000 0.497 227 Q N 0.689 120.488 119.800 -0.002 0.000 2.337 227 Q HA 0.435 4.775 4.340 -0.000 0.000 0.270 227 Q C -1.584 174.412 176.000 -0.006 0.000 1.043 227 Q CA -0.496 55.306 55.803 -0.002 0.000 0.794 227 Q CB 2.491 31.228 28.738 -0.001 0.000 1.281 227 Q HN -0.248 nan 8.270 nan 0.000 0.446 228 V N 5.234 125.146 119.914 -0.005 0.000 2.604 228 V HA 0.594 4.714 4.120 -0.000 0.000 0.305 228 V C -0.430 175.658 176.094 -0.009 0.000 1.043 228 V CA -0.626 61.668 62.300 -0.010 0.000 0.888 228 V CB 1.759 33.578 31.823 -0.007 0.000 0.995 228 V HN 0.778 nan 8.190 nan 0.000 0.429 229 I N 2.877 123.432 120.570 -0.025 0.000 2.436 229 I HA 0.425 4.595 4.170 -0.000 0.000 0.289 229 I C -0.140 175.943 176.117 -0.056 0.000 1.010 229 I CA -0.198 61.084 61.300 -0.030 0.000 1.098 229 I CB 2.296 40.274 38.000 -0.037 0.000 1.266 229 I HN 0.550 nan 8.210 nan 0.000 0.434 230 S N 7.636 123.313 115.700 -0.039 0.000 2.252 230 S HA 0.218 4.688 4.470 -0.000 0.000 0.180 230 S C -1.526 173.033 174.600 -0.068 0.000 1.534 230 S CA -1.129 57.030 58.200 -0.068 0.000 1.141 230 S CB 0.412 63.624 63.200 0.020 0.000 1.122 230 S HN 0.530 nan 8.310 nan 0.000 0.475 231 P HA -0.237 nan 4.420 nan 0.000 0.219 231 P C 1.027 178.448 177.300 0.202 0.000 1.153 231 P CA 1.646 64.736 63.100 -0.017 0.000 0.865 231 P CB -0.126 31.523 31.700 -0.086 0.000 0.788 232 F N -0.810 119.138 119.950 -0.003 0.000 2.259 232 F HA -0.093 4.434 4.527 -0.000 0.000 0.298 232 F C 2.527 178.317 175.800 -0.017 0.000 1.088 232 F CA 0.062 58.058 58.000 -0.007 0.000 1.358 232 F CB -0.588 38.413 39.000 0.002 0.000 1.040 232 F HN -0.252 nan 8.300 nan 0.000 0.505 233 V N 0.824 120.833 119.914 0.159 0.000 2.358 233 V HA -0.282 3.838 4.120 -0.000 0.000 0.246 233 V C 2.194 178.305 176.094 0.028 0.000 1.047 233 V CA 1.432 63.758 62.300 0.043 0.000 1.035 233 V CB -0.454 31.360 31.823 -0.014 0.000 0.658 233 V HN 0.280 nan 8.190 nan 0.000 0.452 234 I N 0.047 120.645 120.570 0.046 0.000 2.099 234 I HA -0.276 3.894 4.170 -0.000 0.000 0.239 234 I C 2.786 178.926 176.117 0.038 0.000 1.066 234 I CA 1.983 63.303 61.300 0.034 0.000 1.324 234 I CB -0.664 37.356 38.000 0.034 0.000 1.037 234 I HN 0.357 nan 8.210 nan 0.000 0.401 235 S N 0.864 116.605 115.700 0.068 0.000 2.368 235 S HA -0.210 4.260 4.470 -0.000 0.000 0.226 235 S C 2.094 176.703 174.600 0.015 0.000 1.044 235 S CA 2.011 60.239 58.200 0.047 0.000 1.062 235 S CB -0.889 62.354 63.200 0.072 0.000 0.931 235 S HN 0.584 nan 8.310 nan 0.000 0.440 236 G N 1.338 110.148 108.800 0.017 0.000 2.480 236 G HA2 -0.227 3.733 3.960 -0.000 0.000 0.216 236 G HA3 -0.227 3.733 3.960 -0.000 0.000 0.216 236 G C 1.555 176.445 174.900 -0.017 0.000 1.200 236 G CA 0.876 45.969 45.100 -0.011 0.000 0.782 236 G HN 0.578 nan 8.290 nan 0.000 0.554 237 R N -0.123 120.367 120.500 -0.017 0.000 2.094 237 R HA 0.006 4.346 4.340 -0.000 0.000 0.239 237 R C 2.712 179.007 176.300 -0.009 0.000 1.137 237 R CA 1.262 57.350 56.100 -0.020 0.000 0.943 237 R CB -0.684 29.601 30.300 -0.024 0.000 0.850 237 R HN 0.308 nan 8.270 nan 0.000 0.433 238 L N 0.318 121.542 121.223 0.001 0.000 2.043 238 L HA -0.282 4.058 4.340 -0.000 0.000 0.212 238 L C 2.598 179.464 176.870 -0.008 0.000 1.075 238 L CA 1.491 56.334 54.840 0.005 0.000 0.752 238 L CB -0.398 41.667 42.059 0.011 0.000 0.891 238 L HN 0.318 nan 8.230 nan 0.000 0.432 239 M N -0.438 119.153 119.600 -0.014 0.000 2.126 239 M HA -0.243 4.237 4.480 -0.000 0.000 0.259 239 M C 2.661 178.947 176.300 -0.022 0.000 1.073 239 M CA 2.432 57.718 55.300 -0.023 0.000 1.103 239 M CB -0.590 31.993 32.600 -0.029 0.000 1.284 239 M HN 0.395 nan 8.290 nan 0.000 0.420 240 S N 0.287 115.974 115.700 -0.022 0.000 2.407 240 S HA -0.212 4.258 4.470 -0.000 0.000 0.235 240 S C 1.795 176.386 174.600 -0.015 0.000 1.036 240 S CA 1.530 59.718 58.200 -0.020 0.000 1.013 240 S CB -0.678 62.509 63.200 -0.021 0.000 0.820 240 S HN 0.465 nan 8.310 nan 0.000 0.476 241 R N 1.067 121.560 120.500 -0.012 0.000 2.275 241 R HA 0.153 4.493 4.340 -0.000 0.000 0.199 241 R C 1.468 177.762 176.300 -0.009 0.000 0.989 241 R CA 0.891 56.989 56.100 -0.004 0.000 1.016 241 R CB -0.029 30.274 30.300 0.005 0.000 0.918 241 R HN 0.686 nan 8.270 nan 0.000 0.473 242 S N -0.727 114.960 115.700 -0.022 0.000 2.575 242 S HA 0.207 4.677 4.470 -0.000 0.000 0.237 242 S C 1.392 175.966 174.600 -0.044 0.000 0.975 242 S CA -0.373 57.802 58.200 -0.042 0.000 0.960 242 S CB -0.018 63.151 63.200 -0.052 0.000 0.822 242 S HN 0.129 nan 8.310 nan 0.000 0.472 243 I N 2.723 123.275 120.570 -0.029 0.000 2.286 243 I HA -0.162 4.008 4.170 -0.000 0.000 0.245 243 I C 2.138 178.241 176.117 -0.024 0.000 1.104 243 I CA 1.565 62.850 61.300 -0.026 0.000 1.397 243 I CB -0.419 37.569 38.000 -0.019 0.000 1.072 243 I HN 0.470 nan 8.210 nan 0.000 0.417 244 D N 0.428 120.818 120.400 -0.016 0.000 1.865 244 D HA -0.075 4.565 4.640 -0.000 0.000 0.279 244 D C 0.296 176.585 176.300 -0.018 0.000 1.015 244 D CA 0.628 54.626 54.000 -0.004 0.000 0.925 244 D CB -0.185 40.624 40.800 0.015 0.000 1.252 244 D HN 0.010 nan 8.370 nan 0.000 0.480 245 D N -1.130 119.262 120.400 -0.013 0.000 2.350 245 D HA 0.368 5.008 4.640 -0.000 0.000 0.245 245 D C 0.176 176.350 176.300 -0.210 0.000 1.036 245 D CA -0.515 53.426 54.000 -0.098 0.000 0.848 245 D CB 1.865 42.750 40.800 0.142 0.000 1.307 245 D HN 0.457 nan 8.370 nan 0.000 0.469 246 G N 1.100 109.649 108.800 -0.418 0.000 3.496 246 G HA2 0.002 3.962 3.960 -0.000 0.000 0.273 246 G HA3 0.002 3.962 3.960 -0.000 0.000 0.273 246 G C 0.518 175.224 174.900 -0.322 0.000 1.279 246 G CA 0.014 44.930 45.100 -0.307 0.000 1.041 246 G HN 0.424 nan 8.290 nan 0.000 0.539 247 Y N 1.136 121.452 120.300 0.027 0.000 2.184 247 Y HA -0.116 4.434 4.550 -0.000 0.000 0.290 247 Y C 2.847 178.791 175.900 0.073 0.000 1.129 247 Y CA 1.158 59.285 58.100 0.044 0.000 1.144 247 Y CB 0.056 38.529 38.460 0.023 0.000 0.995 247 Y HN 0.345 nan 8.280 nan 0.000 0.513 248 E N 0.940 121.252 120.200 0.186 0.000 2.097 248 E HA -0.268 4.082 4.350 -0.000 0.000 0.196 248 E C 2.138 178.829 176.600 0.151 0.000 1.000 248 E CA 1.638 58.123 56.400 0.141 0.000 0.804 248 E CB -0.761 28.988 29.700 0.081 0.000 0.740 248 E HN 0.464 nan 8.360 nan 0.000 0.454 249 A N 0.653 123.523 122.820 0.082 0.000 2.072 249 A HA 0.148 4.468 4.320 -0.000 0.000 0.216 249 A C 2.270 179.889 177.584 0.058 0.000 1.156 249 A CA 0.740 52.811 52.037 0.056 0.000 0.701 249 A CB -0.354 18.651 19.000 0.008 0.000 0.816 249 A HN 0.183 nan 8.150 nan 0.000 0.458 250 M N -1.871 117.773 119.600 0.073 0.000 2.254 250 M HA -0.008 4.472 4.480 -0.000 0.000 0.265 250 M C 1.884 178.255 176.300 0.119 0.000 1.066 250 M CA 1.241 56.584 55.300 0.073 0.000 1.123 250 M CB -0.217 32.432 32.600 0.082 0.000 1.388 250 M HN 0.580 nan 8.290 nan 0.000 0.425 251 F N 0.428 120.403 119.950 0.042 0.000 2.014 251 F HA -0.201 4.326 4.527 -0.000 0.000 0.295 251 F C 2.030 177.842 175.800 0.019 0.000 1.145 251 F CA 1.735 59.757 58.000 0.036 0.000 1.178 251 F CB -0.842 38.181 39.000 0.038 0.000 0.972 251 F HN -0.203 nan 8.300 nan 0.000 0.476 252 V N 0.698 120.572 119.914 -0.067 0.000 2.250 252 V HA -0.422 3.698 4.120 -0.000 0.000 0.253 252 V C 2.454 178.438 176.094 -0.183 0.000 1.065 252 V CA 2.587 64.784 62.300 -0.171 0.000 1.039 252 V CB -0.980 30.844 31.823 0.002 0.000 0.647 252 V HN 0.486 nan 8.190 nan 0.000 0.446 253 Q N -0.997 118.745 119.800 -0.096 0.000 2.079 253 Q HA -0.218 4.122 4.340 -0.000 0.000 0.200 253 Q C 2.076 178.016 176.000 -0.099 0.000 0.974 253 Q CA 1.832 57.588 55.803 -0.079 0.000 0.840 253 Q CB -0.172 28.542 28.738 -0.040 0.000 0.898 253 Q HN 0.658 nan 8.270 nan 0.000 0.430 254 D N -0.469 119.867 120.400 -0.108 0.000 2.117 254 D HA -0.115 4.525 4.640 -0.000 0.000 0.198 254 D C 1.839 178.050 176.300 -0.147 0.000 0.982 254 D CA 0.776 54.719 54.000 -0.094 0.000 0.828 254 D CB 0.055 40.828 40.800 -0.046 0.000 0.967 254 D HN 0.006 nan 8.370 nan 0.000 0.464 255 V N 0.674 120.415 119.914 -0.289 0.000 2.407 255 V HA -0.188 3.932 4.120 -0.000 0.000 0.248 255 V C 2.236 178.216 176.094 -0.191 0.000 1.055 255 V CA 1.164 63.274 62.300 -0.316 0.000 1.049 255 V CB -0.438 31.010 31.823 -0.624 0.000 0.662 255 V HN 0.275 nan 8.190 nan 0.000 0.455 256 L N -0.104 121.017 121.223 -0.169 0.000 2.554 256 L HA 0.248 4.588 4.340 -0.000 0.000 0.226 256 L C 1.167 177.995 176.870 -0.070 0.000 1.137 256 L CA 0.126 54.903 54.840 -0.104 0.000 0.863 256 L CB -0.381 41.623 42.059 -0.090 0.000 0.985 256 L HN 0.300 nan 8.230 nan 0.000 0.451 257 A N 0.386 123.164 122.820 -0.070 0.000 2.301 257 A HA 0.260 4.580 4.320 -0.000 0.000 0.298 257 A C 0.374 177.937 177.584 -0.035 0.000 1.185 257 A CA -0.487 51.523 52.037 -0.045 0.000 0.830 257 A CB 0.110 19.086 19.000 -0.041 0.000 1.112 257 A HN 0.323 nan 8.150 nan 0.000 0.508 258 E N 2.295 122.481 120.200 -0.024 0.000 3.057 258 E HA 0.077 4.427 4.350 -0.000 0.000 0.314 258 E C -0.180 176.413 176.600 -0.011 0.000 1.433 258 E CA 0.444 56.834 56.400 -0.015 0.000 1.546 258 E CB -0.305 29.389 29.700 -0.009 0.000 1.224 258 E HN 0.708 nan 8.360 nan 0.000 0.483 259 E N -0.475 119.717 120.200 -0.013 0.000 2.433 259 E HA 0.193 4.543 4.350 -0.000 0.000 0.264 259 E C 0.082 176.680 176.600 -0.003 0.000 0.960 259 E CA -0.398 55.998 56.400 -0.007 0.000 0.866 259 E CB 1.310 31.006 29.700 -0.007 0.000 1.615 259 E HN 0.174 nan 8.360 nan 0.000 0.442 260 S N -0.958 114.744 115.700 0.003 0.000 3.319 260 S HA -0.322 4.148 4.470 -0.000 0.000 0.319 260 S C 0.825 175.432 174.600 0.011 0.000 1.236 260 S CA 1.840 60.045 58.200 0.009 0.000 0.964 260 S CB -2.258 60.950 63.200 0.012 0.000 1.040 260 S HN 0.804 nan 8.310 nan 0.000 0.620 261 T N -0.034 114.524 114.554 0.008 0.000 12.940 261 T HA -0.298 4.052 4.350 -0.000 0.000 0.419 261 T C 0.391 175.097 174.700 0.011 0.000 1.444 261 T CA 1.751 63.857 62.100 0.010 0.000 2.373 261 T CB -1.293 67.583 68.868 0.013 0.000 2.821 261 T HN 0.943 nan 8.240 nan 0.000 0.696 262 R N 3.065 123.575 120.500 0.017 0.000 2.474 262 R HA 0.152 4.492 4.340 -0.000 0.000 0.290 262 R C 0.394 176.699 176.300 0.009 0.000 0.918 262 R CA 1.091 57.204 56.100 0.022 0.000 1.130 262 R CB -0.349 29.970 30.300 0.032 0.000 0.881 262 R HN 0.616 nan 8.270 nan 0.000 0.416 263 R N 2.213 122.720 120.500 0.013 0.000 2.574 263 R HA 0.300 4.640 4.340 -0.000 0.000 0.288 263 R C -0.130 176.175 176.300 0.009 0.000 1.004 263 R CA -0.747 55.355 56.100 0.003 0.000 0.895 263 R CB 2.268 32.571 30.300 0.006 0.000 1.191 263 R HN 0.469 nan 8.270 nan 0.000 0.444 264 M N 3.952 123.548 119.600 -0.006 0.000 2.184 264 M HA 0.247 4.727 4.480 -0.000 0.000 0.351 264 M C -1.256 175.052 176.300 0.013 0.000 1.395 264 M CA 0.022 55.326 55.300 0.006 0.000 1.117 264 M CB 0.565 33.154 32.600 -0.019 0.000 1.708 264 M HN 0.336 nan 8.290 nan 0.000 0.468 265 V N 5.187 125.117 119.914 0.028 0.000 2.876 265 V HA 0.412 4.532 4.120 -0.000 0.000 0.312 265 V C -0.888 175.230 176.094 0.040 0.000 1.085 265 V CA -0.787 61.531 62.300 0.031 0.000 0.945 265 V CB 2.484 34.327 31.823 0.033 0.000 1.017 265 V HN 0.843 nan 8.190 nan 0.000 0.428 266 E N 2.844 123.067 120.200 0.039 0.000 2.114 266 E HA 0.648 4.998 4.350 -0.000 0.000 0.266 266 E C -1.473 175.159 176.600 0.053 0.000 0.896 266 E CA -0.590 55.838 56.400 0.047 0.000 0.750 266 E CB 1.942 31.665 29.700 0.038 0.000 1.121 266 E HN 0.287 nan 8.360 nan 0.000 0.413 267 V N 4.913 124.868 119.914 0.069 0.000 2.435 267 V HA 0.414 4.533 4.120 -0.000 0.000 0.290 267 V C -1.921 174.226 176.094 0.088 0.000 1.030 267 V CA -1.892 60.452 62.300 0.073 0.000 0.881 267 V CB 1.509 33.380 31.823 0.079 0.000 0.983 267 V HN 0.724 nan 8.190 nan 0.000 0.445 268 P HA 0.441 nan 4.420 nan 0.000 0.284 268 P C -0.808 176.543 177.300 0.084 0.000 1.258 268 P CA -0.500 62.648 63.100 0.080 0.000 0.824 268 P CB 1.657 33.393 31.700 0.059 0.000 1.038 269 I N 4.364 124.995 120.570 0.100 0.000 2.291 269 I HA 0.199 4.368 4.170 -0.000 0.000 0.290 269 I C -1.579 174.572 176.117 0.057 0.000 1.050 269 I CA -2.508 58.846 61.300 0.090 0.000 1.245 269 I CB 0.962 39.047 38.000 0.143 0.000 1.405 269 I HN 0.188 nan 8.210 nan 0.000 0.478 270 P HA -0.105 nan 4.420 nan 0.000 0.269 270 P C 0.513 177.824 177.300 0.020 0.000 1.205 270 P CA 0.145 63.259 63.100 0.023 0.000 0.780 270 P CB 1.077 32.784 31.700 0.012 0.000 0.858 271 E N 2.096 122.306 120.200 0.016 0.000 2.070 271 E HA -0.130 4.220 4.350 -0.000 0.000 0.197 271 E C 1.136 177.739 176.600 0.005 0.000 1.004 271 E CA 1.906 58.314 56.400 0.013 0.000 0.805 271 E CB -1.002 28.704 29.700 0.010 0.000 0.744 271 E HN 0.661 nan 8.360 nan 0.000 0.451 272 G N 0.377 109.176 108.800 -0.002 0.000 2.741 272 G HA2 0.385 4.345 3.960 -0.000 0.000 0.336 272 G HA3 0.385 4.345 3.960 -0.000 0.000 0.336 272 G C -0.977 173.910 174.900 -0.022 0.000 1.022 272 G CA -0.001 45.093 45.100 -0.011 0.000 1.193 272 G HN 0.164 nan 8.290 nan 0.000 0.455 273 S N 1.645 117.329 115.700 -0.027 0.000 2.472 273 S HA 0.331 4.801 4.470 -0.000 0.000 0.303 273 S C 1.150 175.702 174.600 -0.081 0.000 1.099 273 S CA -0.892 57.277 58.200 -0.053 0.000 1.077 273 S CB 0.907 64.082 63.200 -0.042 0.000 1.031 273 S HN 0.609 nan 8.310 nan 0.000 0.487 274 K N 4.158 124.484 120.400 -0.124 0.000 2.668 274 K HA 0.157 4.477 4.320 -0.000 0.000 0.204 274 K C 0.696 177.180 176.600 -0.193 0.000 1.016 274 K CA 0.555 56.752 56.287 -0.150 0.000 1.131 274 K CB -0.288 32.102 32.500 -0.182 0.000 0.891 274 K HN 0.558 nan 8.250 nan 0.000 0.499 275 L N 0.107 121.229 121.223 -0.169 0.000 2.758 275 L HA 0.093 4.433 4.340 -0.000 0.000 0.234 275 L C 0.545 177.378 176.870 -0.062 0.000 1.049 275 L CA -0.313 54.420 54.840 -0.179 0.000 0.908 275 L CB 0.390 42.268 42.059 -0.301 0.000 1.362 275 L HN 0.273 nan 8.230 nan 0.000 0.499 276 E N 1.087 121.273 120.200 -0.023 0.000 3.102 276 E HA -0.019 4.331 4.350 -0.000 0.000 0.235 276 E C 1.033 177.643 176.600 0.017 0.000 0.995 276 E CA 1.107 57.522 56.400 0.026 0.000 0.950 276 E CB -0.117 29.590 29.700 0.011 0.000 0.905 276 E HN 0.435 nan 8.360 nan 0.000 0.553 277 G N 2.553 111.377 108.800 0.040 0.000 2.238 277 G HA2 -0.259 3.701 3.960 -0.000 0.000 0.217 277 G HA3 -0.259 3.701 3.960 -0.000 0.000 0.217 277 G C 0.214 175.136 174.900 0.037 0.000 0.996 277 G CA -0.106 45.004 45.100 0.017 0.000 0.632 277 G HN 0.570 nan 8.290 nan 0.000 0.503 278 V N 1.617 121.565 119.914 0.057 0.000 2.924 278 V HA 0.573 4.693 4.120 -0.000 0.000 0.305 278 V C 1.213 177.412 176.094 0.174 0.000 1.073 278 V CA 0.564 62.907 62.300 0.071 0.000 1.098 278 V CB 1.626 33.453 31.823 0.007 0.000 1.000 278 V HN 0.615 nan 8.190 nan 0.000 0.484 279 S N 2.319 118.110 115.700 0.152 0.000 2.562 279 S HA 0.240 4.710 4.470 -0.000 0.000 0.275 279 S C 1.013 175.793 174.600 0.301 0.000 1.281 279 S CA -0.653 57.669 58.200 0.204 0.000 1.045 279 S CB 1.504 64.779 63.200 0.126 0.000 0.962 279 S HN 0.443 nan 8.310 nan 0.000 0.503 280 V N 5.876 126.043 119.914 0.421 0.000 2.282 280 V HA -0.192 3.928 4.120 -0.000 0.000 0.249 280 V C 2.337 178.587 176.094 0.261 0.000 1.057 280 V CA 2.237 64.828 62.300 0.485 0.000 1.032 280 V CB -0.909 31.135 31.823 0.367 0.000 0.645 280 V HN 0.890 nan 8.190 nan 0.000 0.447 281 L N -0.253 121.081 121.223 0.185 0.000 2.079 281 L HA -0.215 4.124 4.340 -0.000 0.000 0.210 281 L C 2.339 179.274 176.870 0.110 0.000 1.081 281 L CA 1.903 56.817 54.840 0.123 0.000 0.752 281 L CB -0.437 41.678 42.059 0.095 0.000 0.896 281 L HN 0.411 nan 8.230 nan 0.000 0.433 282 D N -0.168 120.302 120.400 0.116 0.000 2.183 282 D HA -0.089 4.551 4.640 -0.000 0.000 0.203 282 D C 2.026 178.387 176.300 0.101 0.000 0.969 282 D CA 1.255 55.310 54.000 0.092 0.000 0.842 282 D CB 0.182 41.029 40.800 0.078 0.000 0.957 282 D HN 0.451 nan 8.370 nan 0.000 0.484 283 A N 0.632 123.527 122.820 0.124 0.000 2.167 283 A HA -0.078 4.242 4.320 -0.000 0.000 0.214 283 A C 0.463 178.129 177.584 0.136 0.000 1.151 283 A CA 0.255 52.387 52.037 0.157 0.000 0.735 283 A CB -0.011 19.045 19.000 0.094 0.000 0.802 283 A HN -0.044 nan 8.150 nan 0.000 0.467 284 D N -0.601 119.856 120.400 0.096 0.000 2.733 284 D HA -0.206 4.434 4.640 -0.000 0.000 0.228 284 D C 0.884 177.179 176.300 -0.009 0.000 1.182 284 D CA 0.758 54.790 54.000 0.053 0.000 0.620 284 D CB -1.371 39.445 40.800 0.025 0.000 1.027 284 D HN 0.630 nan 8.370 nan 0.000 0.415 285 I N -0.939 119.637 120.570 0.010 0.000 2.229 285 I HA -0.389 3.781 4.170 -0.000 0.000 0.250 285 I C 2.255 178.353 176.117 -0.032 0.000 1.096 285 I CA 1.409 62.664 61.300 -0.074 0.000 1.358 285 I CB -0.335 37.690 38.000 0.043 0.000 1.047 285 I HN 0.316 nan 8.210 nan 0.000 0.422 286 H N 1.486 120.519 119.070 -0.061 0.000 2.261 286 H HA -0.163 4.393 4.556 -0.000 0.000 0.301 286 H C 1.904 177.186 175.328 -0.077 0.000 1.067 286 H CA 1.875 57.893 56.048 -0.051 0.000 1.297 286 H CB -0.358 29.392 29.762 -0.020 0.000 1.377 286 H HN 0.212 nan 8.280 nan 0.000 0.492 287 D N -0.265 120.059 120.400 -0.128 0.000 2.133 287 D HA -0.144 4.496 4.640 -0.000 0.000 0.195 287 D C 2.398 178.582 176.300 -0.195 0.000 0.997 287 D CA 1.650 55.529 54.000 -0.202 0.000 0.840 287 D CB -0.134 40.602 40.800 -0.106 0.000 0.947 287 D HN 0.273 nan 8.370 nan 0.000 0.452 288 V N 0.480 120.262 119.914 -0.221 0.000 2.283 288 V HA -0.150 3.970 4.120 -0.000 0.000 0.243 288 V C 2.477 178.395 176.094 -0.294 0.000 1.039 288 V CA 1.772 63.878 62.300 -0.323 0.000 1.016 288 V CB -0.591 30.823 31.823 -0.682 0.000 0.650 288 V HN 0.158 nan 8.190 nan 0.000 0.449 289 T N -1.363 113.029 114.554 -0.269 0.000 3.033 289 T HA 0.315 4.665 4.350 -0.000 0.000 0.248 289 T C 1.480 176.140 174.700 -0.067 0.000 1.040 289 T CA 1.234 63.242 62.100 -0.155 0.000 1.133 289 T CB 0.500 69.294 68.868 -0.122 0.000 0.895 289 T HN 0.767 nan 8.240 nan 0.000 0.465 290 G N 0.916 109.698 108.800 -0.029 0.000 2.176 290 G HA2 -0.219 3.741 3.960 -0.000 0.000 0.232 290 G HA3 -0.219 3.741 3.960 -0.000 0.000 0.232 290 G C 0.220 175.225 174.900 0.176 0.000 0.986 290 G CA -0.034 45.082 45.100 0.026 0.000 0.643 290 G HN 0.505 nan 8.290 nan 0.000 0.522 291 V N 2.903 122.900 119.914 0.139 0.000 2.389 291 V HA 0.385 4.505 4.120 -0.000 0.000 0.264 291 V C 1.141 177.295 176.094 0.100 0.000 1.049 291 V CA -0.464 61.900 62.300 0.106 0.000 0.932 291 V CB 0.932 32.796 31.823 0.068 0.000 1.011 291 V HN 0.334 nan 8.190 nan 0.000 0.475 292 I N 6.617 127.204 120.570 0.028 0.000 2.618 292 I HA 0.147 4.317 4.170 -0.000 0.000 0.284 292 I C 0.449 176.548 176.117 -0.030 0.000 1.146 292 I CA 0.251 61.480 61.300 -0.119 0.000 1.425 292 I CB 0.483 38.401 38.000 -0.137 0.000 1.383 292 I HN 0.568 nan 8.210 nan 0.000 0.562 293 I N 5.819 126.371 120.570 -0.030 0.000 2.306 293 I HA 0.293 4.463 4.170 -0.000 0.000 0.288 293 I C 0.999 177.109 176.117 -0.013 0.000 1.036 293 I CA -0.498 60.814 61.300 0.021 0.000 1.221 293 I CB 0.767 38.814 38.000 0.078 0.000 1.385 293 I HN 0.619 nan 8.210 nan 0.000 0.472 294 I N 2.604 123.174 120.570 0.000 0.000 3.684 294 I HA 0.619 4.789 4.170 -0.000 0.000 0.304 294 I C 0.684 176.783 176.117 -0.031 0.000 1.278 294 I CA -0.062 61.230 61.300 -0.013 0.000 1.272 294 I CB -0.264 37.756 38.000 0.034 0.000 1.029 294 I HN 0.775 nan 8.210 nan 0.000 0.458 295 G N 0.321 109.098 108.800 -0.039 0.000 2.358 295 G HA2 0.414 4.374 3.960 -0.000 0.000 0.301 295 G HA3 0.414 4.374 3.960 -0.000 0.000 0.301 295 G C -1.573 173.271 174.900 -0.093 0.000 1.539 295 G CA -0.561 44.488 45.100 -0.085 0.000 0.893 295 G HN -0.065 nan 8.290 nan 0.000 0.636 296 V N -0.093 119.708 119.914 -0.189 0.000 2.628 296 V HA 0.926 5.046 4.120 -0.000 0.000 0.306 296 V C 0.780 176.804 176.094 -0.116 0.000 1.045 296 V CA 0.012 62.208 62.300 -0.173 0.000 0.905 296 V CB 1.932 33.526 31.823 -0.382 0.000 0.997 296 V HN 1.466 nan 8.190 nan 0.000 0.436 297 G N 2.561 111.342 108.800 -0.031 0.000 2.530 297 G HA2 0.631 4.591 3.960 -0.000 0.000 0.316 297 G HA3 0.631 4.591 3.960 -0.000 0.000 0.316 297 G C -0.686 174.230 174.900 0.028 0.000 1.298 297 G CA -0.713 44.384 45.100 -0.005 0.000 0.948 297 G HN 0.418 nan 8.290 nan 0.000 0.486 298 R N 1.938 122.456 120.500 0.029 0.000 2.423 298 R HA 0.346 4.686 4.340 -0.000 0.000 0.293 298 R C 0.786 177.102 176.300 0.027 0.000 1.196 298 R CA -0.401 55.723 56.100 0.040 0.000 1.262 298 R CB 0.807 31.137 30.300 0.050 0.000 1.116 298 R HN 1.005 nan 8.270 nan 0.000 0.566 299 G N 2.944 111.760 108.800 0.027 0.000 2.776 299 G HA2 -0.275 3.685 3.960 -0.000 0.000 0.343 299 G HA3 -0.275 3.685 3.960 -0.000 0.000 0.343 299 G C 0.222 175.132 174.900 0.016 0.000 0.103 299 G CA 0.614 45.727 45.100 0.021 0.000 1.240 299 G HN 0.788 nan 8.290 nan 0.000 0.553 300 D N 0.196 120.604 120.400 0.014 0.000 2.946 300 D HA -0.169 4.471 4.640 -0.000 0.000 0.202 300 D C 0.498 176.803 176.300 0.009 0.000 1.068 300 D CA 2.177 56.183 54.000 0.010 0.000 1.011 300 D CB -0.658 40.148 40.800 0.010 0.000 1.105 300 D HN 0.939 nan 8.370 nan 0.000 0.425 301 E N -0.434 119.771 120.200 0.008 0.000 2.366 301 E HA 0.662 5.012 4.350 -0.000 0.000 0.278 301 E C -1.559 175.039 176.600 -0.004 0.000 0.923 301 E CA -0.728 55.674 56.400 0.003 0.000 0.761 301 E CB 2.469 32.173 29.700 0.006 0.000 1.231 301 E HN 0.105 nan 8.360 nan 0.000 0.443 302 L N 4.519 125.733 121.223 -0.016 0.000 2.482 302 L HA 0.601 4.941 4.340 -0.000 0.000 0.263 302 L C -1.754 175.082 176.870 -0.057 0.000 0.957 302 L CA -0.584 54.235 54.840 -0.035 0.000 0.836 302 L CB 1.475 43.520 42.059 -0.023 0.000 1.324 302 L HN 0.565 nan 8.230 nan 0.000 0.406 303 I N 4.726 125.232 120.570 -0.106 0.000 2.377 303 I HA 0.264 4.434 4.170 -0.000 0.000 0.293 303 I C 0.177 176.211 176.117 -0.138 0.000 0.987 303 I CA -0.606 60.616 61.300 -0.130 0.000 1.185 303 I CB 1.873 39.751 38.000 -0.204 0.000 1.341 303 I HN 0.640 nan 8.210 nan 0.000 0.455 304 I N 3.023 123.533 120.570 -0.099 0.000 2.330 304 I HA -0.101 4.069 4.170 -0.000 0.000 0.229 304 I C 1.203 177.258 176.117 -0.102 0.000 1.063 304 I CA 1.212 62.461 61.300 -0.085 0.000 1.367 304 I CB -0.142 37.825 38.000 -0.055 0.000 1.158 304 I HN 0.569 nan 8.210 nan 0.000 0.411 305 D N 3.257 123.604 120.400 -0.089 0.000 2.470 305 D HA 0.107 4.747 4.640 -0.000 0.000 0.226 305 D C -2.261 173.973 176.300 -0.110 0.000 1.196 305 D CA -2.306 51.642 54.000 -0.086 0.000 0.979 305 D CB -0.009 40.754 40.800 -0.063 0.000 1.059 305 D HN 0.053 nan 8.370 nan 0.000 0.515 306 P HA 0.116 nan 4.420 nan 0.000 0.264 306 P C -2.450 174.784 177.300 -0.110 0.000 1.193 306 P CA -0.967 61.980 63.100 -0.255 0.000 0.763 306 P CB 0.127 31.528 31.700 -0.498 0.000 0.810 307 P HA 0.058 nan 4.420 nan 0.000 0.268 307 P C 1.036 178.374 177.300 0.064 0.000 1.208 307 P CA 0.005 63.114 63.100 0.016 0.000 0.777 307 P CB 0.926 32.647 31.700 0.035 0.000 0.875 308 R N 1.671 122.207 120.500 0.061 0.000 2.112 308 R HA -0.167 4.173 4.340 -0.000 0.000 0.242 308 R C 1.419 177.787 176.300 0.114 0.000 1.137 308 R CA 2.142 58.293 56.100 0.084 0.000 0.944 308 R CB -0.805 29.532 30.300 0.061 0.000 0.857 308 R HN 0.657 nan 8.270 nan 0.000 0.435 309 D N -0.044 120.413 120.400 0.095 0.000 2.396 309 D HA -0.131 4.509 4.640 -0.000 0.000 0.255 309 D C -0.271 176.093 176.300 0.106 0.000 1.224 309 D CA 0.089 54.141 54.000 0.086 0.000 0.894 309 D CB -0.397 40.435 40.800 0.054 0.000 0.939 309 D HN 0.209 nan 8.370 nan 0.000 0.506 310 Y N 2.347 122.649 120.300 0.003 0.000 2.304 310 Y HA 0.235 4.785 4.550 -0.000 0.000 0.327 310 Y C 0.071 175.969 175.900 -0.005 0.000 1.209 310 Y CA -0.913 57.163 58.100 -0.040 0.000 1.299 310 Y CB 1.236 39.628 38.460 -0.113 0.000 1.249 310 Y HN -0.043 nan 8.280 nan 0.000 0.519 311 S N 5.535 120.834 115.700 -0.668 0.000 2.596 311 S HA 0.484 4.954 4.470 -0.000 0.000 0.318 311 S C -0.995 173.319 174.600 -0.477 0.000 1.097 311 S CA -0.794 57.200 58.200 -0.342 0.000 1.080 311 S CB 0.022 63.097 63.200 -0.208 0.000 0.991 311 S HN 0.449 nan 8.310 nan 0.000 0.471 312 F N 2.727 122.566 119.950 -0.185 0.000 2.595 312 F HA 0.341 4.868 4.527 -0.000 0.000 0.359 312 F C 1.637 177.389 175.800 -0.080 0.000 1.147 312 F CA 0.186 58.157 58.000 -0.048 0.000 1.341 312 F CB 0.557 39.592 39.000 0.059 0.000 1.104 312 F HN 0.579 nan 8.300 nan 0.000 0.603 313 R N 0.752 121.323 120.500 0.119 0.000 3.328 313 R HA 0.736 5.076 4.340 -0.000 0.000 0.232 313 R C 0.849 177.203 176.300 0.090 0.000 1.606 313 R CA -0.417 55.719 56.100 0.059 0.000 1.025 313 R CB 0.216 30.518 30.300 0.004 0.000 1.701 313 R HN 0.617 nan 8.270 nan 0.000 0.526 314 A N 0.160 123.014 122.820 0.056 0.000 1.849 314 A HA 0.069 4.389 4.320 -0.000 0.000 0.214 314 A C 1.952 179.574 177.584 0.063 0.000 1.269 314 A CA 1.332 53.401 52.037 0.053 0.000 0.605 314 A CB -1.503 17.516 19.000 0.032 0.000 0.937 314 A HN 0.752 nan 8.150 nan 0.000 0.461 315 G N -0.027 108.804 108.800 0.051 0.000 2.527 315 G HA2 -0.043 3.917 3.960 -0.000 0.000 0.219 315 G HA3 -0.043 3.917 3.960 -0.000 0.000 0.219 315 G C -0.046 174.895 174.900 0.069 0.000 1.117 315 G CA 0.715 45.847 45.100 0.052 0.000 0.759 315 G HN 0.481 nan 8.290 nan 0.000 0.556 316 D N -0.033 120.421 120.400 0.091 0.000 2.601 316 D HA 0.134 4.773 4.640 -0.000 0.000 0.229 316 D C 0.359 176.733 176.300 0.124 0.000 1.140 316 D CA 0.788 54.857 54.000 0.116 0.000 0.862 316 D CB 0.845 41.744 40.800 0.166 0.000 1.192 316 D HN 0.108 nan 8.370 nan 0.000 0.480 317 I N 2.627 123.258 120.570 0.101 0.000 2.465 317 I HA 0.305 4.475 4.170 -0.000 0.000 0.291 317 I C -0.117 176.060 176.117 0.100 0.000 1.014 317 I CA -0.807 60.550 61.300 0.095 0.000 1.093 317 I CB 1.569 39.606 38.000 0.062 0.000 1.267 317 I HN 0.133 nan 8.210 nan 0.000 0.431 318 I N 6.526 127.174 120.570 0.129 0.000 2.304 318 I HA 0.189 4.359 4.170 -0.000 0.000 0.291 318 I C -0.580 175.589 176.117 0.087 0.000 1.018 318 I CA -0.636 60.747 61.300 0.139 0.000 1.260 318 I CB 1.504 39.630 38.000 0.209 0.000 1.390 318 I HN 0.308 nan 8.210 nan 0.000 0.475 319 L N 7.792 129.051 121.223 0.058 0.000 2.259 319 L HA 0.691 5.031 4.340 -0.000 0.000 0.288 319 L C 0.061 176.962 176.870 0.051 0.000 1.051 319 L CA 0.289 55.156 54.840 0.046 0.000 0.824 319 L CB 0.551 42.627 42.059 0.027 0.000 1.206 319 L HN 0.589 nan 8.230 nan 0.000 0.429 320 G N 5.191 114.026 108.800 0.057 0.000 2.659 320 G HA2 0.622 4.582 3.960 -0.000 0.000 0.296 320 G HA3 0.622 4.582 3.960 -0.000 0.000 0.296 320 G C -1.345 173.590 174.900 0.057 0.000 1.369 320 G CA -0.660 44.474 45.100 0.057 0.000 0.937 320 G HN 0.481 nan 8.290 nan 0.000 0.485 321 I N 0.487 121.094 120.570 0.063 0.000 2.460 321 I HA 0.801 4.971 4.170 -0.000 0.000 0.298 321 I C 0.625 176.778 176.117 0.061 0.000 0.989 321 I CA -0.523 60.816 61.300 0.065 0.000 1.173 321 I CB 2.081 40.142 38.000 0.103 0.000 1.338 321 I HN 0.811 nan 8.210 nan 0.000 0.456 322 G N 3.534 112.366 108.800 0.053 0.000 2.387 322 G HA2 0.323 4.283 3.960 -0.000 0.000 0.294 322 G HA3 0.323 4.283 3.960 -0.000 0.000 0.294 322 G C -1.712 173.212 174.900 0.040 0.000 1.509 322 G CA -1.037 44.095 45.100 0.054 0.000 0.806 322 G HN 0.370 nan 8.290 nan 0.000 0.546 323 K N 1.967 122.389 120.400 0.038 0.000 2.436 323 K HA 0.242 4.562 4.320 -0.000 0.000 0.275 323 K C -1.032 175.582 176.600 0.024 0.000 0.999 323 K CA -1.049 55.254 56.287 0.027 0.000 0.980 323 K CB 1.046 33.559 32.500 0.023 0.000 0.919 323 K HN 0.223 nan 8.250 nan 0.000 0.484 324 P HA -0.282 nan 4.420 nan 0.000 0.216 324 P C 0.249 177.561 177.300 0.019 0.000 1.157 324 P CA 1.706 64.818 63.100 0.019 0.000 0.880 324 P CB 0.262 31.972 31.700 0.016 0.000 0.791 325 E N 0.437 120.646 120.200 0.016 0.000 2.033 325 E HA -0.224 4.126 4.350 -0.000 0.000 0.199 325 E C 2.218 178.826 176.600 0.013 0.000 1.011 325 E CA 1.340 57.748 56.400 0.013 0.000 0.815 325 E CB -0.592 29.113 29.700 0.008 0.000 0.755 325 E HN 0.411 nan 8.360 nan 0.000 0.451 326 E N 0.648 120.856 120.200 0.013 0.000 2.086 326 E HA -0.247 4.103 4.350 -0.000 0.000 0.200 326 E C 2.202 178.814 176.600 0.020 0.000 1.012 326 E CA 1.343 57.751 56.400 0.013 0.000 0.812 326 E CB -0.268 29.446 29.700 0.023 0.000 0.743 326 E HN 0.287 nan 8.360 nan 0.000 0.453 327 I N 0.840 121.427 120.570 0.028 0.000 2.099 327 I HA -0.325 3.845 4.170 -0.000 0.000 0.239 327 I C 2.740 178.878 176.117 0.035 0.000 1.066 327 I CA 1.475 62.796 61.300 0.035 0.000 1.324 327 I CB -0.432 37.588 38.000 0.034 0.000 1.037 327 I HN 0.195 nan 8.210 nan 0.000 0.401 328 E N 1.213 121.431 120.200 0.029 0.000 2.086 328 E HA -0.332 4.018 4.350 -0.000 0.000 0.200 328 E C 2.401 179.022 176.600 0.035 0.000 1.012 328 E CA 1.716 58.133 56.400 0.030 0.000 0.812 328 E CB -0.144 29.569 29.700 0.023 0.000 0.743 328 E HN 0.272 nan 8.360 nan 0.000 0.453 329 R N 0.382 120.899 120.500 0.028 0.000 2.105 329 R HA -0.137 4.203 4.340 -0.000 0.000 0.239 329 R C 2.622 178.954 176.300 0.054 0.000 1.135 329 R CA 1.206 57.324 56.100 0.030 0.000 0.967 329 R CB -0.293 30.009 30.300 0.002 0.000 0.861 329 R HN 0.348 nan 8.270 nan 0.000 0.442 330 L N 0.793 122.046 121.223 0.049 0.000 2.056 330 L HA -0.172 4.168 4.340 -0.000 0.000 0.207 330 L C 1.987 178.926 176.870 0.115 0.000 1.078 330 L CA 1.548 56.436 54.840 0.081 0.000 0.749 330 L CB -0.153 41.944 42.059 0.063 0.000 0.901 330 L HN 0.191 nan 8.230 nan 0.000 0.433 331 K N -0.273 120.174 120.400 0.078 0.000 2.057 331 K HA -0.156 4.164 4.320 -0.000 0.000 0.207 331 K C 1.814 178.452 176.600 0.063 0.000 1.049 331 K CA 1.510 57.836 56.287 0.065 0.000 0.931 331 K CB -0.204 32.325 32.500 0.047 0.000 0.714 331 K HN 0.420 nan 8.250 nan 0.000 0.440 332 N N 0.572 119.314 118.700 0.071 0.000 2.142 332 N HA -0.176 4.564 4.740 -0.000 0.000 0.186 332 N C 1.554 177.114 175.510 0.082 0.000 1.023 332 N CA 0.943 54.031 53.050 0.062 0.000 0.852 332 N CB -0.334 38.188 38.487 0.059 0.000 0.998 332 N HN 0.217 nan 8.380 nan 0.000 0.424 333 Y N 1.340 121.629 120.300 -0.018 0.000 2.751 333 Y HA -0.002 4.548 4.550 -0.000 0.000 0.310 333 Y C 1.335 177.207 175.900 -0.046 0.000 1.176 333 Y CA 0.730 58.811 58.100 -0.031 0.000 1.360 333 Y CB -0.278 38.162 38.460 -0.034 0.000 0.999 333 Y HN 0.067 nan 8.280 nan 0.000 0.532 334 I N -2.271 118.264 120.570 -0.059 0.000 4.706 334 I HA 0.011 4.181 4.170 -0.000 0.000 0.321 334 I C 0.751 176.822 176.117 -0.077 0.000 1.249 334 I CA 0.217 61.446 61.300 -0.118 0.000 1.321 334 I CB -0.259 37.718 38.000 -0.039 0.000 1.342 334 I HN -0.019 nan 8.210 nan 0.000 0.463 335 S N 3.092 118.773 115.700 -0.032 0.000 2.642 335 S HA 0.254 4.724 4.470 -0.000 0.000 0.308 335 S C 0.768 175.347 174.600 -0.035 0.000 1.255 335 S CA -0.159 58.029 58.200 -0.020 0.000 1.057 335 S CB 0.133 63.331 63.200 -0.003 0.000 0.785 335 S HN 0.700 nan 8.310 nan 0.000 0.500 336 A N 0.000 122.804 122.820 -0.026 0.000 2.254 336 A HA 0.000 4.320 4.320 -0.000 0.000 0.244 336 A CA 0.000 52.020 52.037 -0.028 0.000 0.836 336 A CB 0.000 18.988 19.000 -0.021 0.000 0.831 336 A HN 0.000 nan 8.150 nan 0.000 0.486