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_F 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 -0.005 0.000 1.155 19 P CA 0.000 63.097 63.100 -0.004 0.000 0.800 19 P CB 0.000 31.697 31.700 -0.004 0.000 0.726 20 A N -1.004 121.812 122.820 -0.005 0.000 2.067 20 A HA 0.416 4.736 4.320 -0.000 0.000 0.217 20 A C 2.076 179.657 177.584 -0.005 0.000 1.156 20 A CA 2.855 54.889 52.037 -0.006 0.000 0.683 20 A CB -0.697 18.299 19.000 -0.007 0.000 0.808 20 A HN 1.034 nan 8.150 nan 0.000 0.455 21 T N -2.267 112.284 114.554 -0.005 0.000 3.069 21 T HA 0.410 4.760 4.350 -0.000 0.000 0.252 21 T C 1.681 176.379 174.700 -0.004 0.000 1.053 21 T CA 1.016 63.114 62.100 -0.004 0.000 0.964 21 T CB -0.305 68.561 68.868 -0.004 0.000 1.005 21 T HN 0.485 nan 8.240 nan 0.000 0.532 22 R N 0.331 120.829 120.500 -0.004 0.000 2.290 22 R HA 0.700 5.040 4.340 -0.000 0.000 0.197 22 R C 2.217 178.515 176.300 -0.003 0.000 0.913 22 R CA 0.981 57.079 56.100 -0.003 0.000 1.040 22 R CB -1.258 29.041 30.300 -0.003 0.000 0.992 22 R HN 0.802 nan 8.270 nan 0.000 0.500 23 I N -0.742 119.826 120.570 -0.003 0.000 3.226 23 I HA 0.522 4.692 4.170 -0.000 0.000 0.277 23 I C 2.515 178.631 176.117 -0.003 0.000 1.243 23 I CA 1.168 62.466 61.300 -0.003 0.000 1.459 23 I CB -0.663 37.335 38.000 -0.003 0.000 1.093 23 I HN 0.463 nan 8.210 nan 0.000 0.453 24 L N -0.676 120.546 121.223 -0.003 0.000 2.599 24 L HA 0.632 4.972 4.340 -0.000 0.000 0.230 24 L C 2.393 179.262 176.870 -0.002 0.000 1.141 24 L CA 1.563 56.401 54.840 -0.002 0.000 0.877 24 L CB -1.607 40.451 42.059 -0.003 0.000 1.009 24 L HN 0.946 nan 8.230 nan 0.000 0.447 25 L N -2.732 118.490 121.223 -0.002 0.000 2.515 25 L HA 0.584 4.924 4.340 -0.000 0.000 0.223 25 L C 2.678 179.547 176.870 -0.002 0.000 1.079 25 L CA 1.662 56.500 54.840 -0.002 0.000 0.857 25 L CB -0.947 41.111 42.059 -0.002 0.000 1.050 25 L HN 0.689 nan 8.230 nan 0.000 0.476 26 L N -0.967 120.255 121.223 -0.002 0.000 2.162 26 L HA 0.505 4.845 4.340 -0.000 0.000 0.205 26 L C 2.698 179.567 176.870 -0.002 0.000 1.086 26 L CA 1.939 56.778 54.840 -0.002 0.000 0.778 26 L CB -1.378 40.680 42.059 -0.002 0.000 0.928 26 L HN 0.699 nan 8.230 nan 0.000 0.446 27 V N -1.283 118.630 119.914 -0.002 0.000 3.573 27 V HA 0.394 4.514 4.120 -0.000 0.000 0.270 27 V C 2.357 178.451 176.094 -0.001 0.000 1.221 27 V CA 2.028 64.327 62.300 -0.002 0.000 1.163 27 V CB -0.532 31.290 31.823 -0.002 0.000 0.847 27 V HN 0.835 nan 8.190 nan 0.000 0.468 28 L N -2.010 119.212 121.223 -0.001 0.000 2.556 28 L HA 0.759 5.099 4.340 -0.000 0.000 0.226 28 L C 2.347 179.216 176.870 -0.001 0.000 1.089 28 L CA 1.682 56.521 54.840 -0.001 0.000 0.864 28 L CB -0.773 41.286 42.059 -0.001 0.000 1.067 28 L HN 0.562 nan 8.230 nan 0.000 0.477 29 A N -0.720 122.100 122.820 -0.001 0.000 2.081 29 A HA 0.426 4.746 4.320 -0.000 0.000 0.214 29 A C 2.277 179.860 177.584 -0.001 0.000 1.158 29 A CA 1.378 53.415 52.037 -0.001 0.000 0.724 29 A CB -0.533 18.466 19.000 -0.001 0.000 0.826 29 A HN 1.203 nan 8.150 nan 0.000 0.463 30 V N -0.401 119.512 119.914 -0.001 0.000 2.809 30 V HA 0.085 4.205 4.120 -0.000 0.000 0.256 30 V C 2.461 178.555 176.094 -0.001 0.000 1.080 30 V CA 2.211 64.510 62.300 -0.001 0.000 1.102 30 V CB -1.027 30.796 31.823 -0.001 0.000 0.705 30 V HN 0.574 nan 8.190 nan 0.000 0.475 31 I N -0.713 119.857 120.570 -0.001 0.000 2.876 31 I HA 0.336 4.506 4.170 -0.000 0.000 0.264 31 I C 2.302 178.419 176.117 -0.001 0.000 1.204 31 I CA 1.826 63.125 61.300 -0.001 0.000 1.485 31 I CB -0.710 37.289 38.000 -0.001 0.000 1.103 31 I HN 0.571 nan 8.210 nan 0.000 0.446 32 I N -1.539 119.030 120.570 -0.001 0.000 3.860 32 I HA 0.438 4.608 4.170 -0.000 0.000 0.319 32 I C 2.220 178.337 176.117 -0.001 0.000 1.279 32 I CA 1.270 62.570 61.300 -0.001 0.000 1.220 32 I CB -1.626 36.374 38.000 -0.001 0.000 1.027 32 I HN 0.785 nan 8.210 nan 0.000 0.428 33 Y N -0.621 119.678 120.300 -0.001 0.000 2.535 33 Y HA 0.492 5.042 4.550 -0.000 0.000 0.264 33 Y C 2.361 178.261 175.900 -0.001 0.000 1.087 33 Y CA 0.999 59.098 58.100 -0.001 0.000 1.285 33 Y CB -0.270 38.190 38.460 -0.001 0.000 1.200 33 Y HN 0.386 nan 8.280 nan 0.000 0.514 34 G N -0.682 108.118 108.800 -0.001 0.000 2.459 34 G HA2 0.169 4.129 3.960 -0.000 0.000 0.213 34 G HA3 0.169 4.129 3.960 -0.000 0.000 0.213 34 G C 1.593 176.493 174.900 -0.001 0.000 1.155 34 G CA 1.580 46.679 45.100 -0.001 0.000 0.811 34 G HN 0.724 nan 8.290 nan 0.000 0.534 35 T N 0.501 115.054 114.554 -0.001 0.000 3.100 35 T HA 0.571 4.921 4.350 -0.000 0.000 0.253 35 T C 2.232 176.932 174.700 -0.001 0.000 1.118 35 T CA 1.453 63.552 62.100 -0.001 0.000 1.058 35 T CB -0.092 68.775 68.868 -0.001 0.000 0.953 35 T HN 0.317 nan 8.240 nan 0.000 0.515 36 A N 1.128 123.948 122.820 -0.001 0.000 1.930 36 A HA 0.390 4.710 4.320 -0.000 0.000 0.215 36 A C 2.624 180.208 177.584 -0.001 0.000 1.176 36 A CA 1.465 53.502 52.037 -0.001 0.000 0.632 36 A CB -0.782 18.217 19.000 -0.001 0.000 0.819 36 A HN 0.495 nan 8.150 nan 0.000 0.445 37 G N -2.223 106.576 108.800 -0.001 0.000 2.744 37 G HA2 0.183 4.143 3.960 -0.000 0.000 0.211 37 G HA3 0.183 4.143 3.960 -0.000 0.000 0.211 37 G C 1.216 176.115 174.900 -0.000 0.000 1.143 37 G CA 1.118 46.217 45.100 -0.001 0.000 0.788 37 G HN 0.610 nan 8.290 nan 0.000 0.534 38 F N 0.083 120.032 119.950 -0.000 0.000 2.128 38 F HA 0.149 4.676 4.527 -0.000 0.000 0.295 38 F C 2.517 178.317 175.800 -0.000 0.000 1.100 38 F CA 1.864 59.863 58.000 -0.000 0.000 1.260 38 F CB -1.152 37.848 39.000 -0.000 0.000 1.009 38 F HN 0.545 nan 8.300 nan 0.000 0.476 39 H N -2.277 116.793 119.070 -0.000 0.000 2.539 39 H HA 0.407 4.963 4.556 -0.000 0.000 0.267 39 H C 1.922 177.250 175.328 -0.000 0.000 0.982 39 H CA 1.376 57.424 56.048 -0.000 0.000 1.146 39 H CB -1.360 28.402 29.762 -0.000 0.000 1.382 39 H HN 1.020 nan 8.280 nan 0.000 0.577 40 F N -0.083 119.867 119.950 -0.000 0.000 2.557 40 F HA 0.511 5.038 4.527 -0.000 0.000 0.278 40 F C 2.111 177.910 175.800 -0.000 0.000 1.051 40 F CA 0.588 58.588 58.000 -0.000 0.000 1.357 40 F CB -0.135 38.865 39.000 -0.000 0.000 1.104 40 F HN 0.581 nan 8.300 nan 0.000 0.654 41 I N 0.964 121.533 120.570 -0.000 0.000 3.731 41 I HA 0.713 4.883 4.170 -0.000 0.000 0.341 41 I C -0.085 176.032 176.117 -0.000 0.000 1.532 41 I CA 0.731 62.031 61.300 -0.000 0.000 1.163 41 I CB -1.139 36.861 38.000 -0.000 0.000 1.339 41 I HN 1.021 nan 8.210 nan 0.000 0.449 42 E N -0.600 119.599 120.200 -0.000 0.000 2.094 42 E HA 0.659 5.009 4.350 -0.000 0.000 0.237 42 E C 0.599 177.198 176.600 -0.000 0.000 1.460 42 E CA -0.258 56.141 56.400 -0.000 0.000 0.965 42 E CB -0.443 29.256 29.700 -0.000 0.000 1.641 42 E HN 1.718 nan 8.360 nan 0.000 0.532 43 G N 0.727 109.526 108.800 -0.000 0.000 2.367 43 G HA2 0.553 4.513 3.960 -0.000 0.000 0.282 43 G HA3 0.553 4.513 3.960 -0.000 0.000 0.282 43 G C 0.565 175.465 174.900 -0.000 0.000 1.140 43 G CA 1.013 46.113 45.100 -0.000 0.000 1.088 43 G HN 1.348 nan 8.290 nan 0.000 0.431 44 E N 0.635 120.835 120.200 -0.000 0.000 2.829 44 E HA 0.410 4.760 4.350 -0.000 0.000 0.264 44 E C 0.659 177.259 176.600 -0.000 0.000 0.922 44 E CA 0.758 57.157 56.400 -0.000 0.000 0.960 44 E CB -0.216 29.484 29.700 -0.000 0.000 0.918 44 E HN 2.066 nan 8.360 nan 0.000 0.497 45 S N -0.764 114.936 115.700 -0.000 0.000 2.888 45 S HA 0.403 4.873 4.470 -0.000 0.000 0.145 45 S C 0.678 175.278 174.600 -0.000 0.000 0.705 45 S CA 0.420 58.620 58.200 -0.000 0.000 0.891 45 S CB -1.198 62.002 63.200 -0.000 0.000 1.592 45 S HN 1.902 nan 8.310 nan 0.000 0.514 46 W N 0.930 122.230 121.300 -0.000 0.000 2.721 46 W HA 0.356 5.016 4.660 -0.000 0.000 0.245 46 W C 1.623 178.142 176.519 -0.000 0.000 1.276 46 W CA 1.707 59.051 57.345 -0.000 0.000 1.342 46 W CB -1.154 28.306 29.460 -0.000 0.000 1.135 46 W HN 1.164 nan 8.180 nan 0.000 0.654 47 T N -0.433 114.120 114.554 -0.000 0.000 2.866 47 T HA 0.347 4.697 4.350 -0.000 0.000 0.250 47 T C 1.732 176.432 174.700 -0.000 0.000 1.033 47 T CA 2.336 64.436 62.100 -0.000 0.000 1.145 47 T CB -0.599 68.269 68.868 -0.000 0.000 0.866 47 T HN 1.075 nan 8.240 nan 0.000 0.434 48 V N 1.144 121.058 119.914 -0.000 0.000 3.095 48 V HA 0.775 4.895 4.120 -0.000 0.000 0.388 48 V C 2.030 178.124 176.094 -0.000 0.000 1.286 48 V CA 0.910 63.210 62.300 -0.000 0.000 1.406 48 V CB -1.108 30.715 31.823 -0.000 0.000 1.363 48 V HN 0.659 nan 8.190 nan 0.000 0.532 49 S N 0.253 115.952 115.700 -0.000 0.000 2.412 49 S HA 0.226 4.696 4.470 -0.000 0.000 0.223 49 S C 2.019 176.619 174.600 -0.001 0.000 1.048 49 S CA 1.664 59.863 58.200 -0.000 0.000 0.954 49 S CB -0.269 62.930 63.200 -0.001 0.000 0.840 49 S HN 1.443 nan 8.310 nan 0.000 0.503 50 L N 0.372 121.595 121.223 -0.001 0.000 2.141 50 L HA 0.165 4.505 4.340 -0.000 0.000 0.209 50 L C 2.932 179.801 176.870 -0.001 0.000 1.094 50 L CA 2.418 57.258 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 0.852 nan 8.230 nan 0.000 0.437 51 Y N -2.781 117.519 120.300 -0.000 0.000 2.333 51 Y HA -0.065 4.485 4.550 -0.000 0.000 0.290 51 Y C 2.635 178.534 175.900 -0.000 0.000 1.144 51 Y CA 2.969 61.068 58.100 -0.000 0.000 1.228 51 Y CB -1.522 36.938 38.460 -0.000 0.000 0.985 51 Y HN 0.870 nan 8.280 nan 0.000 0.542 52 W N -0.036 121.264 121.300 -0.000 0.000 2.494 52 W HA 0.193 4.853 4.660 -0.000 0.000 0.286 52 W C 2.654 179.173 176.519 -0.001 0.000 1.218 52 W CA 2.267 59.612 57.345 -0.000 0.000 1.313 52 W CB -1.081 28.378 29.460 -0.000 0.000 1.105 52 W HN 0.616 nan 8.180 nan 0.000 0.561 53 T N -0.222 114.331 114.554 -0.001 0.000 2.701 53 T HA 0.097 4.447 4.350 -0.000 0.000 0.263 53 T C 2.226 176.926 174.700 -0.001 0.000 1.040 53 T CA 3.739 65.838 62.100 -0.001 0.000 1.147 53 T CB -1.122 67.746 68.868 -0.001 0.000 0.865 53 T HN 1.030 nan 8.240 nan 0.000 0.426 54 F N 1.501 121.451 119.950 -0.001 0.000 2.134 54 F HA 0.291 4.818 4.527 -0.000 0.000 0.299 54 F C 3.150 178.950 175.800 -0.001 0.000 1.097 54 F CA 2.083 60.083 58.000 -0.001 0.000 1.264 54 F CB -1.310 37.690 39.000 -0.001 0.000 1.001 54 F HN 0.420 nan 8.300 nan 0.000 0.479 55 V N 0.352 120.265 119.914 -0.001 0.000 2.407 55 V HA -0.104 4.016 4.120 -0.000 0.000 0.248 55 V C 2.533 178.626 176.094 -0.001 0.000 1.055 55 V CA 4.041 66.341 62.300 -0.001 0.000 1.049 55 V CB -1.806 30.017 31.823 -0.000 0.000 0.662 55 V HN 0.696 nan 8.190 nan 0.000 0.455 56 T N -0.414 114.140 114.554 -0.001 0.000 2.770 56 T HA 0.091 4.441 4.350 -0.000 0.000 0.263 56 T C 2.287 176.987 174.700 -0.001 0.000 1.039 56 T CA 3.250 65.349 62.100 -0.001 0.000 1.142 56 T CB -0.602 68.265 68.868 -0.001 0.000 0.868 56 T HN 1.140 nan 8.240 nan 0.000 0.435 57 I N 1.394 121.964 120.570 -0.001 0.000 2.454 57 I HA 0.543 4.713 4.170 -0.000 0.000 0.254 57 I C 2.699 178.816 176.117 -0.001 0.000 1.156 57 I CA 1.809 63.109 61.300 -0.001 0.000 1.433 57 I CB -1.657 36.343 38.000 -0.001 0.000 1.082 57 I HN 0.596 nan 8.210 nan 0.000 0.432 58 A N 0.313 123.132 122.820 -0.001 0.000 2.310 58 A HA 0.414 4.734 4.320 -0.000 0.000 0.230 58 A C 1.696 179.279 177.584 -0.001 0.000 1.294 58 A CA 1.231 53.267 52.037 -0.001 0.000 0.898 58 A CB -1.890 17.110 19.000 -0.001 0.000 0.917 58 A HN 2.198 nan 8.150 nan 0.000 0.491 59 T N -2.679 111.875 114.554 -0.001 0.000 3.799 59 T HA -0.122 4.228 4.350 -0.000 0.000 0.358 59 T C 1.500 176.200 174.700 -0.001 0.000 0.759 59 T CA 1.794 63.894 62.100 -0.001 0.000 1.869 59 T CB -2.322 66.546 68.868 -0.001 0.000 1.837 59 T HN 1.436 nan 8.240 nan 0.000 0.762 60 V N 0.012 119.926 119.914 -0.001 0.000 2.326 60 V HA 0.591 4.711 4.120 -0.000 0.000 0.237 60 V C 2.924 179.018 176.094 -0.000 0.000 1.044 60 V CA 1.733 64.033 62.300 -0.000 0.000 1.035 60 V CB -0.830 30.993 31.823 -0.000 0.000 0.675 60 V HN 2.365 nan 8.190 nan 0.000 0.470 61 G N -2.228 106.572 108.800 -0.000 0.000 2.272 61 G HA2 -0.183 3.777 3.960 -0.000 0.000 0.280 61 G HA3 -0.183 3.777 3.960 -0.000 0.000 0.280 61 G C 0.608 175.507 174.900 -0.000 0.000 1.067 61 G CA 1.213 46.313 45.100 -0.000 0.000 0.902 61 G HN 2.075 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 3.055 178.954 175.900 -0.000 0.000 1.163 62 Y CA 2.334 60.434 58.100 -0.000 0.000 1.135 62 Y CB -0.185 38.275 38.460 -0.000 0.000 0.970 62 Y HN 2.237 nan 8.280 nan 0.000 0.498 63 G N -2.813 105.987 108.800 -0.000 0.000 2.174 63 G HA2 0.177 4.137 3.960 -0.000 0.000 0.140 63 G HA3 0.177 4.137 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 0.848 45.948 45.100 -0.000 0.000 0.728 63 G HN 1.358 nan 8.290 nan 0.000 0.496 64 D N -0.997 119.403 120.400 -0.000 0.000 2.378 64 D HA 0.581 5.221 4.640 -0.000 0.000 0.227 64 D C 0.831 177.131 176.300 -0.000 0.000 1.012 64 D CA 1.592 55.592 54.000 -0.000 0.000 0.905 64 D CB -0.585 40.214 40.800 -0.000 0.000 0.895 64 D HN 2.113 nan 8.370 nan 0.000 0.532 65 Y N -2.856 117.444 120.300 -0.000 0.000 2.105 65 Y HA 0.580 5.129 4.550 -0.000 0.000 0.312 65 Y C 1.066 176.965 175.900 -0.000 0.000 1.205 65 Y CA -0.126 57.974 58.100 -0.000 0.000 1.583 65 Y CB 0.238 38.698 38.460 -0.000 0.000 1.301 65 Y HN 0.495 nan 8.280 nan 0.000 0.376 66 S N 2.029 117.729 115.700 -0.000 0.000 2.660 66 S HA 0.488 4.958 4.470 -0.000 0.000 0.228 66 S C 0.302 174.902 174.600 -0.000 0.000 0.966 66 S CA 0.268 58.468 58.200 -0.000 0.000 0.940 66 S CB -1.361 61.839 63.200 -0.000 0.000 0.773 66 S HN 2.507 nan 8.310 nan 0.000 0.535 67 P HA 0.130 nan 4.420 nan 0.000 0.014 67 P C 0.070 177.370 177.300 -0.000 0.000 0.563 67 P CA 1.244 64.344 63.100 -0.000 0.000 1.035 67 P CB -2.313 29.387 31.700 -0.000 0.000 1.909 68 S N -0.179 115.521 115.700 -0.000 0.000 2.439 68 S HA 0.809 5.279 4.470 -0.000 0.000 0.282 68 S C 1.206 175.806 174.600 -0.000 0.000 1.170 68 S CA 1.200 59.400 58.200 -0.000 0.000 1.054 68 S CB 0.405 63.605 63.200 -0.000 0.000 0.956 68 S HN 1.610 nan 8.310 nan 0.000 0.490 69 T N 0.743 115.297 114.554 -0.000 0.000 3.661 69 T HA 0.628 4.978 4.350 -0.000 0.000 0.287 69 T C -0.156 174.544 174.700 -0.000 0.000 0.892 69 T CA 1.561 63.661 62.100 -0.000 0.000 0.775 69 T CB -1.334 67.534 68.868 -0.000 0.000 1.216 69 T HN 1.564 nan 8.240 nan 0.000 0.850 70 P HA -0.123 nan 4.420 nan 0.000 0.223 70 P C 1.754 179.054 177.300 -0.000 0.000 0.505 70 P CA 3.766 66.866 63.100 -0.000 0.000 1.089 70 P CB -1.741 29.959 31.700 -0.000 0.000 0.496 71 L N -1.499 119.723 121.223 -0.000 0.000 2.179 71 L HA 0.544 4.884 4.340 -0.000 0.000 0.208 71 L C 2.878 179.747 176.870 -0.000 0.000 1.096 71 L CA 3.023 57.863 54.840 -0.000 0.000 0.779 71 L CB -1.774 40.284 42.059 -0.000 0.000 0.922 71 L HN 0.854 nan 8.230 nan 0.000 0.443 72 G N -2.045 106.754 108.800 -0.000 0.000 2.813 72 G HA2 0.240 4.200 3.960 -0.000 0.000 0.209 72 G HA3 0.240 4.200 3.960 -0.000 0.000 0.209 72 G C 1.483 176.382 174.900 -0.000 0.000 1.150 72 G CA 1.516 46.616 45.100 -0.000 0.000 0.785 72 G HN 0.872 nan 8.290 nan 0.000 0.535 73 M N -0.507 119.093 119.600 -0.000 0.000 2.514 73 M HA 0.421 4.901 4.480 -0.000 0.000 0.258 73 M C 2.492 178.792 176.300 -0.000 0.000 1.119 73 M CA 1.403 56.702 55.300 -0.000 0.000 1.111 73 M CB -1.609 30.990 32.600 -0.000 0.000 1.390 73 M HN 0.570 nan 8.290 nan 0.000 0.475 74 Y N -2.002 118.298 120.300 -0.000 0.000 2.420 74 Y HA 0.307 4.856 4.550 -0.000 0.000 0.292 74 Y C 2.393 178.293 175.900 -0.000 0.000 1.119 74 Y CA 1.703 59.802 58.100 -0.000 0.000 1.229 74 Y CB -1.273 37.187 38.460 -0.000 0.000 1.026 74 Y HN 0.856 nan 8.280 nan 0.000 0.554 75 F N 0.190 120.140 119.950 -0.000 0.000 2.619 75 F HA 0.282 4.809 4.527 -0.000 0.000 0.293 75 F C 2.434 178.234 175.800 -0.000 0.000 1.119 75 F CA 1.746 59.745 58.000 -0.000 0.000 1.445 75 F CB -1.292 37.708 39.000 -0.000 0.000 1.119 75 F HN 0.449 nan 8.300 nan 0.000 0.573 76 T N -0.808 113.746 114.554 -0.000 0.000 3.023 76 T HA 0.300 4.650 4.350 -0.000 0.000 0.266 76 T C 2.146 176.845 174.700 -0.001 0.000 1.093 76 T CA 1.736 63.836 62.100 -0.000 0.000 1.129 76 T CB -0.870 67.998 68.868 -0.000 0.000 0.899 76 T HN 0.923 nan 8.240 nan 0.000 0.491 77 V N 0.966 120.880 119.914 -0.000 0.000 2.719 77 V HA 0.312 4.431 4.120 -0.000 0.000 0.252 77 V C 2.808 178.902 176.094 -0.001 0.000 1.065 77 V CA 2.409 64.708 62.300 -0.001 0.000 1.086 77 V CB -1.543 30.279 31.823 -0.000 0.000 0.700 77 V HN 0.539 nan 8.190 nan 0.000 0.467 78 T N -0.679 113.875 114.554 -0.001 0.000 2.951 78 T HA 0.198 4.548 4.350 -0.000 0.000 0.268 78 T C 2.010 176.710 174.700 -0.001 0.000 1.073 78 T CA 2.624 64.724 62.100 -0.001 0.000 1.134 78 T CB -0.540 68.327 68.868 -0.001 0.000 0.884 78 T HN 1.107 nan 8.240 nan 0.000 0.479 79 L N 0.420 121.643 121.223 -0.001 0.000 2.478 79 L HA 0.606 4.946 4.340 -0.000 0.000 0.223 79 L C 2.958 179.827 176.870 -0.001 0.000 1.140 79 L CA 1.631 56.471 54.840 -0.001 0.000 0.842 79 L CB -1.755 40.304 42.059 -0.001 0.000 0.953 79 L HN 0.715 nan 8.230 nan 0.000 0.452 80 I N -1.916 118.654 120.570 -0.001 0.000 2.731 80 I HA 0.405 4.575 4.170 -0.000 0.000 0.260 80 I C 2.621 178.737 176.117 -0.001 0.000 1.138 80 I CA 1.741 63.041 61.300 -0.001 0.000 1.461 80 I CB -0.835 37.164 38.000 -0.001 0.000 1.128 80 I HN 0.426 nan 8.210 nan 0.000 0.438 81 V N 0.700 120.614 119.914 -0.001 0.000 2.270 81 V HA 0.126 4.246 4.120 -0.000 0.000 0.245 81 V C 2.576 178.669 176.094 -0.001 0.000 1.043 81 V CA 2.963 65.262 62.300 -0.001 0.000 1.014 81 V CB -1.112 30.711 31.823 -0.001 0.000 0.645 81 V HN 1.171 nan 8.190 nan 0.000 0.447 82 L N 0.599 121.821 121.223 -0.001 0.000 2.672 82 L HA 0.636 4.976 4.340 -0.000 0.000 0.236 82 L C 2.075 178.944 176.870 -0.001 0.000 1.186 82 L CA 1.248 56.087 54.840 -0.001 0.000 0.977 82 L CB -1.567 40.492 42.059 -0.001 0.000 1.203 82 L HN 0.557 nan 8.230 nan 0.000 0.448 83 G N -1.168 107.631 108.800 -0.001 0.000 2.551 83 G HA2 0.208 4.168 3.960 -0.000 0.000 0.216 83 G HA3 0.208 4.168 3.960 -0.000 0.000 0.216 83 G C 1.284 176.184 174.900 -0.001 0.000 1.137 83 G CA 1.512 46.611 45.100 -0.001 0.000 0.798 83 G HN 0.936 nan 8.290 nan 0.000 0.536 84 I N 0.436 121.005 120.570 -0.001 0.000 3.854 84 I HA 0.537 4.707 4.170 -0.000 0.000 0.312 84 I C 2.367 178.483 176.117 -0.001 0.000 1.273 84 I CA 1.042 62.341 61.300 -0.001 0.000 1.298 84 I CB -0.612 37.388 38.000 -0.001 0.000 1.071 84 I HN 0.171 nan 8.210 nan 0.000 0.428 85 G N -0.060 108.739 108.800 -0.001 0.000 3.210 85 G HA2 0.379 4.339 3.960 -0.000 0.000 0.220 85 G HA3 0.379 4.339 3.960 -0.000 0.000 0.220 85 G C 0.890 175.789 174.900 -0.001 0.000 1.200 85 G CA 1.310 46.409 45.100 -0.001 0.000 0.834 85 G HN 0.944 nan 8.290 nan 0.000 0.524 86 T N -3.443 111.110 114.554 -0.001 0.000 3.123 86 T HA 0.387 4.737 4.350 -0.000 0.000 0.259 86 T C 1.658 176.357 174.700 -0.001 0.000 0.871 86 T CA 0.949 63.048 62.100 -0.001 0.000 0.857 86 T CB -0.244 68.623 68.868 -0.001 0.000 1.267 86 T HN 0.325 nan 8.240 nan 0.000 0.556 87 F N 1.544 121.493 119.950 -0.001 0.000 2.262 87 F HA 0.693 5.220 4.527 -0.000 0.000 0.292 87 F C 2.691 178.490 175.800 -0.001 0.000 1.081 87 F CA 1.030 59.030 58.000 -0.001 0.000 1.355 87 F CB -0.909 38.091 39.000 -0.001 0.000 1.069 87 F HN 0.448 nan 8.300 nan 0.000 0.506 88 A N -0.176 122.644 122.820 -0.002 0.000 2.208 88 A HA 0.428 4.748 4.320 -0.000 0.000 0.209 88 A C 2.015 179.598 177.584 -0.002 0.000 1.161 88 A CA 1.434 53.470 52.037 -0.002 0.000 0.782 88 A CB -1.163 17.835 19.000 -0.002 0.000 0.816 88 A HN 1.204 nan 8.150 nan 0.000 0.477 89 V N -1.349 118.564 119.914 -0.002 0.000 2.484 89 V HA 0.365 4.485 4.120 -0.000 0.000 0.236 89 V C 2.496 178.588 176.094 -0.002 0.000 1.062 89 V CA 1.446 63.745 62.300 -0.002 0.000 1.081 89 V CB -1.309 30.513 31.823 -0.002 0.000 0.751 89 V HN 0.428 nan 8.190 nan 0.000 0.484 90 A N -0.129 122.690 122.820 -0.002 0.000 2.259 90 A HA 0.281 4.601 4.320 -0.000 0.000 0.212 90 A C 2.085 179.668 177.584 -0.002 0.000 1.178 90 A CA 2.082 54.118 52.037 -0.002 0.000 0.734 90 A CB -1.085 17.914 19.000 -0.001 0.000 0.774 90 A HN 1.316 nan 8.150 nan 0.000 0.481 91 V N -1.067 118.846 119.914 -0.002 0.000 2.300 91 V HA 0.070 4.190 4.120 -0.000 0.000 0.241 91 V C 2.349 178.442 176.094 -0.002 0.000 1.034 91 V CA 2.436 64.735 62.300 -0.002 0.000 1.021 91 V CB -1.301 30.521 31.823 -0.002 0.000 0.662 91 V HN 0.543 nan 8.190 nan 0.000 0.458 92 E N 0.553 120.751 120.200 -0.002 0.000 2.478 92 E HA 0.090 4.440 4.350 -0.000 0.000 0.198 92 E C 2.134 178.732 176.600 -0.003 0.000 1.046 92 E CA 1.466 57.864 56.400 -0.003 0.000 0.870 92 E CB -0.811 28.887 29.700 -0.004 0.000 0.818 92 E HN 0.909 nan 8.360 nan 0.000 0.527 93 R N -0.824 119.674 120.500 -0.002 0.000 2.254 93 R HA 0.619 4.959 4.340 -0.000 0.000 0.193 93 R C 2.519 178.818 176.300 -0.002 0.000 0.929 93 R CA 1.123 57.221 56.100 -0.002 0.000 1.038 93 R CB -1.105 29.194 30.300 -0.002 0.000 1.009 93 R HN 0.922 nan 8.270 nan 0.000 0.512 94 L N -0.725 120.497 121.223 -0.001 0.000 2.375 94 L HA 0.628 4.967 4.340 -0.000 0.000 0.215 94 L C 2.664 179.534 176.870 0.000 0.000 1.108 94 L CA 1.502 56.342 54.840 -0.000 0.000 0.830 94 L CB -0.970 41.088 42.059 -0.000 0.000 0.959 94 L HN 0.619 nan 8.230 nan 0.000 0.457 95 L N -1.417 119.806 121.223 -0.000 0.000 2.640 95 L HA 0.691 5.031 4.340 -0.000 0.000 0.230 95 L C 1.936 178.806 176.870 0.001 0.000 1.123 95 L CA 1.379 56.219 54.840 0.001 0.000 0.900 95 L CB -1.289 40.770 42.059 -0.000 0.000 1.146 95 L HN 0.718 nan 8.230 nan 0.000 0.484 96 E N -1.920 118.279 120.200 -0.000 0.000 2.451 96 E HA 0.519 4.869 4.350 -0.000 0.000 0.194 96 E C 1.097 177.698 176.600 0.000 0.000 1.027 96 E CA 1.054 57.454 56.400 -0.001 0.000 0.914 96 E CB -0.769 28.929 29.700 -0.003 0.000 1.054 96 E HN 1.604 nan 8.360 nan 0.000 0.461 97 F N -1.813 118.138 119.950 0.002 0.000 2.665 97 F HA 0.669 5.196 4.527 -0.000 0.000 0.328 97 F C 0.754 176.556 175.800 0.004 0.000 0.848 97 F CA 0.560 58.562 58.000 0.002 0.000 1.071 97 F CB 0.454 39.454 39.000 0.001 0.000 0.906 97 F HN 0.893 nan 8.300 nan 0.000 0.654 117 H N -2.580 116.525 119.070 0.059 0.000 2.797 117 H HA 0.763 5.319 4.556 -0.000 0.000 0.372 117 H C -0.874 174.515 175.328 0.102 0.000 1.168 117 H CA -1.285 54.832 56.048 0.115 0.000 1.163 117 H CB 2.164 32.028 29.762 0.169 0.000 1.778 117 H HN -0.121 nan 8.280 nan 0.000 0.551 118 V N 2.834 122.752 119.914 0.007 0.000 2.459 118 V HA 0.266 4.386 4.120 -0.000 0.000 0.295 118 V C -0.317 175.710 176.094 -0.112 0.000 1.029 118 V CA -0.879 61.372 62.300 -0.081 0.000 0.874 118 V CB 1.506 33.340 31.823 0.018 0.000 0.985 118 V HN 0.606 nan 8.190 nan 0.000 0.438 119 V N 6.065 125.880 119.914 -0.165 0.000 2.435 119 V HA 0.496 4.616 4.120 -0.000 0.000 0.290 119 V C -0.200 175.894 176.094 0.001 0.000 1.030 119 V CA -0.375 61.875 62.300 -0.083 0.000 0.881 119 V CB 1.799 33.527 31.823 -0.158 0.000 0.983 119 V HN 0.686 nan 8.190 nan 0.000 0.445 120 I N 4.433 125.042 120.570 0.065 0.000 2.354 120 I HA 0.318 4.488 4.170 -0.000 0.000 0.286 120 I C -0.327 175.848 176.117 0.096 0.000 1.007 120 I CA -0.182 61.170 61.300 0.087 0.000 1.167 120 I CB 1.249 39.335 38.000 0.144 0.000 1.320 120 I HN 0.524 nan 8.210 nan 0.000 0.458 121 C N 5.776 125.113 119.300 0.061 0.000 2.373 121 C HA 0.709 5.169 4.460 -0.000 0.000 0.354 121 C C 0.834 175.871 174.990 0.078 0.000 1.249 121 C CA -0.119 58.932 59.018 0.055 0.000 1.784 121 C CB -0.630 27.124 27.740 0.024 0.000 2.408 121 C HN 1.047 nan 8.230 nan 0.000 0.542 122 G N 3.953 112.823 108.800 0.116 0.000 2.785 122 G HA2 -0.098 3.862 3.960 -0.000 0.000 0.686 122 G HA3 -0.098 3.862 3.960 -0.000 0.000 0.686 122 G C -0.884 174.163 174.900 0.245 0.000 1.155 122 G CA -0.493 44.692 45.100 0.141 0.000 0.760 122 G HN 0.998 nan 8.290 nan 0.000 0.624 123 W N 4.567 125.888 121.300 0.034 0.000 2.391 123 W HA 0.637 5.297 4.660 0.000 0.000 0.312 123 W C 0.145 176.672 176.519 0.013 0.000 1.003 123 W CA -0.185 57.179 57.345 0.032 0.000 1.375 123 W CB 1.436 30.924 29.460 0.047 0.000 1.253 123 W HN 1.329 nan 8.180 nan 0.000 0.416 124 S N 2.958 118.383 115.700 -0.457 0.000 2.704 124 S HA 0.340 4.810 4.470 -0.000 0.000 0.296 124 S C 0.710 174.995 174.600 -0.525 0.000 1.138 124 S CA -0.548 57.405 58.200 -0.411 0.000 0.875 124 S CB 2.251 65.340 63.200 -0.184 0.000 1.151 124 S HN 0.441 nan 8.310 nan 0.000 0.500 125 E N 1.553 121.551 120.200 -0.338 0.000 2.070 125 E HA -0.121 4.229 4.350 -0.000 0.000 0.197 125 E C 2.185 178.641 176.600 -0.241 0.000 1.004 125 E CA 1.972 58.205 56.400 -0.277 0.000 0.805 125 E CB -0.867 28.748 29.700 -0.141 0.000 0.744 125 E HN 0.679 nan 8.360 nan 0.000 0.451 126 S N 0.659 116.252 115.700 -0.178 0.000 2.377 126 S HA -0.207 4.263 4.470 -0.000 0.000 0.224 126 S C 2.185 176.687 174.600 -0.164 0.000 1.042 126 S CA 2.013 60.132 58.200 -0.135 0.000 1.086 126 S CB -0.915 62.216 63.200 -0.115 0.000 0.995 126 S HN 0.294 nan 8.310 nan 0.000 0.428 127 T N 2.878 117.309 114.554 -0.205 0.000 2.624 127 T HA -0.146 4.204 4.350 -0.000 0.000 0.268 127 T C 1.712 176.260 174.700 -0.254 0.000 1.041 127 T CA 1.567 63.553 62.100 -0.189 0.000 1.159 127 T CB -0.673 68.076 68.868 -0.198 0.000 0.863 127 T HN 0.253 nan 8.240 nan 0.000 0.434 128 L N 0.919 121.824 121.223 -0.531 0.000 1.971 128 L HA -0.176 4.164 4.340 -0.000 0.000 0.215 128 L C 2.766 179.540 176.870 -0.160 0.000 1.072 128 L CA 1.730 56.295 54.840 -0.458 0.000 0.758 128 L CB -0.369 41.355 42.059 -0.557 0.000 0.889 128 L HN 0.185 nan 8.230 nan 0.000 0.433 129 E N -0.568 119.543 120.200 -0.149 0.000 2.171 129 E HA -0.292 4.058 4.350 -0.000 0.000 0.197 129 E C 2.144 178.716 176.600 -0.047 0.000 0.997 129 E CA 1.476 57.830 56.400 -0.077 0.000 0.810 129 E CB -0.900 28.756 29.700 -0.073 0.000 0.738 129 E HN 0.663 nan 8.360 nan 0.000 0.467 130 C N 0.254 119.523 119.300 -0.053 0.000 2.476 130 C HA -0.027 4.433 4.460 -0.000 0.000 0.278 130 C C 2.631 177.628 174.990 0.012 0.000 1.274 130 C CA 0.499 59.505 59.018 -0.020 0.000 1.713 130 C CB -1.092 26.636 27.740 -0.020 0.000 2.039 130 C HN 0.396 nan 8.230 nan 0.000 0.484 131 L N 1.457 122.701 121.223 0.035 0.000 2.349 131 L HA -0.036 4.304 4.340 -0.000 0.000 0.220 131 L C 2.558 179.465 176.870 0.062 0.000 1.130 131 L CA 1.657 56.548 54.840 0.084 0.000 0.791 131 L CB -0.879 41.294 42.059 0.189 0.000 0.918 131 L HN 0.327 nan 8.230 nan 0.000 0.444 132 R N -0.979 119.543 120.500 0.036 0.000 2.148 132 R HA -0.054 4.285 4.340 -0.000 0.000 0.223 132 R C 1.814 178.126 176.300 0.019 0.000 1.088 132 R CA 0.956 57.073 56.100 0.027 0.000 0.985 132 R CB 0.030 30.337 30.300 0.011 0.000 0.880 132 R HN 0.440 nan 8.270 nan 0.000 0.451 133 E N 0.648 120.857 120.200 0.015 0.000 2.075 133 E HA -0.029 4.321 4.350 -0.000 0.000 0.190 133 E C 1.761 178.372 176.600 0.019 0.000 0.969 133 E CA 0.665 57.072 56.400 0.012 0.000 0.815 133 E CB -0.005 29.698 29.700 0.005 0.000 0.776 133 E HN 0.282 nan 8.360 nan 0.000 0.457 134 L N 1.370 122.609 121.223 0.026 0.000 2.749 134 L HA 0.059 4.399 4.340 -0.000 0.000 0.245 134 L C 2.322 179.211 176.870 0.032 0.000 1.156 134 L CA 0.112 54.971 54.840 0.032 0.000 0.890 134 L CB -0.465 41.618 42.059 0.040 0.000 1.036 134 L HN 0.021 nan 8.230 nan 0.000 0.441 135 R N 1.394 121.910 120.500 0.028 0.000 2.119 135 R HA -0.145 4.195 4.340 -0.000 0.000 0.246 135 R C 1.698 178.010 176.300 0.020 0.000 1.146 135 R CA 1.415 57.530 56.100 0.024 0.000 0.962 135 R CB -0.287 30.026 30.300 0.021 0.000 0.863 135 R HN 0.429 nan 8.270 nan 0.000 0.442 136 G N -0.077 108.735 108.800 0.021 0.000 3.392 136 G HA2 0.146 4.106 3.960 -0.000 0.000 0.247 136 G HA3 0.146 4.106 3.960 -0.000 0.000 0.247 136 G C -0.867 174.050 174.900 0.028 0.000 1.161 136 G CA 0.411 45.523 45.100 0.021 0.000 1.739 136 G HN 0.410 nan 8.290 nan 0.000 0.619 137 S N -1.803 113.916 115.700 0.031 0.000 2.643 137 S HA 0.283 4.753 4.470 -0.000 0.000 0.266 137 S C -1.120 173.511 174.600 0.051 0.000 1.130 137 S CA -1.046 57.182 58.200 0.046 0.000 0.817 137 S CB 1.313 64.546 63.200 0.055 0.000 1.107 137 S HN 0.076 nan 8.310 nan 0.000 0.471 138 E N 0.870 121.124 120.200 0.091 0.000 2.159 138 E HA 0.412 4.762 4.350 -0.000 0.000 0.272 138 E C -0.949 175.751 176.600 0.166 0.000 1.138 138 E CA 0.049 56.528 56.400 0.130 0.000 0.915 138 E CB 0.975 30.830 29.700 0.259 0.000 1.028 138 E HN 0.434 nan 8.360 nan 0.000 0.423 139 V N 4.861 124.797 119.914 0.036 0.000 2.656 139 V HA 0.410 4.530 4.120 -0.000 0.000 0.307 139 V C -0.709 175.354 176.094 -0.052 0.000 1.051 139 V CA -0.756 61.590 62.300 0.076 0.000 0.893 139 V CB 1.333 33.187 31.823 0.052 0.000 0.999 139 V HN 0.413 nan 8.190 nan 0.000 0.426 140 F N 2.941 122.891 119.950 -0.001 0.000 2.493 140 F HA 0.624 5.150 4.527 -0.000 0.000 0.329 140 F C -0.025 175.786 175.800 0.017 0.000 1.126 140 F CA -0.839 57.167 58.000 0.010 0.000 0.937 140 F CB 2.065 41.058 39.000 -0.011 0.000 1.146 140 F HN 0.147 nan 8.300 nan 0.000 0.442 141 V N 5.253 125.281 119.914 0.190 0.000 2.370 141 V HA 0.336 4.456 4.120 -0.000 0.000 0.283 141 V C -0.328 175.826 176.094 0.100 0.000 1.023 141 V CA -0.731 61.689 62.300 0.201 0.000 0.857 141 V CB 1.664 33.641 31.823 0.257 0.000 0.985 141 V HN 0.633 nan 8.190 nan 0.000 0.443 142 L N 5.695 126.950 121.223 0.052 0.000 2.265 142 L HA 0.869 5.209 4.340 -0.000 0.000 0.289 142 L C 0.016 176.876 176.870 -0.016 0.000 1.033 142 L CA -0.017 54.771 54.840 -0.087 0.000 0.814 142 L CB 0.940 42.968 42.059 -0.053 0.000 1.203 142 L HN 0.777 nan 8.230 nan 0.000 0.423 143 A N 3.831 126.605 122.820 -0.076 0.000 2.556 143 A HA 0.431 4.751 4.320 -0.000 0.000 0.294 143 A C 0.217 177.748 177.584 -0.089 0.000 1.091 143 A CA -0.579 51.500 52.037 0.070 0.000 0.704 143 A CB 1.601 20.791 19.000 0.316 0.000 1.300 143 A HN 0.804 nan 8.150 nan 0.000 0.406 144 E N 0.176 120.337 120.200 -0.064 0.000 2.046 144 E HA -0.109 4.241 4.350 -0.000 0.000 0.190 144 E C -0.161 176.315 176.600 -0.208 0.000 0.982 144 E CA 0.605 56.914 56.400 -0.152 0.000 0.800 144 E CB 0.117 29.793 29.700 -0.039 0.000 0.756 144 E HN 0.712 nan 8.360 nan 0.000 0.449 145 D N 1.011 121.383 120.400 -0.046 0.000 2.358 145 D HA -0.068 4.572 4.640 -0.000 0.000 0.258 145 D C 0.802 177.102 176.300 -0.000 0.000 1.223 145 D CA 0.170 54.169 54.000 -0.003 0.000 0.886 145 D CB 1.433 42.251 40.800 0.029 0.000 1.120 145 D HN -0.020 nan 8.370 nan 0.000 0.482 146 E N 4.042 124.305 120.200 0.105 0.000 2.077 146 E HA -0.229 4.121 4.350 -0.000 0.000 0.193 146 E C 1.182 177.756 176.600 -0.043 0.000 0.989 146 E CA 1.377 57.909 56.400 0.219 0.000 0.800 146 E CB -0.039 29.868 29.700 0.345 0.000 0.746 146 E HN 0.462 nan 8.360 nan 0.000 0.452 147 N N 0.172 118.850 118.700 -0.037 0.000 2.314 147 N HA -0.182 4.558 4.740 -0.000 0.000 0.191 147 N C 1.730 177.118 175.510 -0.203 0.000 1.007 147 N CA 1.431 54.429 53.050 -0.086 0.000 0.883 147 N CB -0.258 38.209 38.487 -0.033 0.000 0.969 147 N HN 0.142 nan 8.380 nan 0.000 0.441 148 V N 1.426 121.145 119.914 -0.324 0.000 2.237 148 V HA -0.264 3.856 4.120 -0.000 0.000 0.245 148 V C 2.466 178.046 176.094 -0.856 0.000 1.046 148 V CA 1.700 63.657 62.300 -0.572 0.000 1.007 148 V CB -0.580 30.824 31.823 -0.700 0.000 0.638 148 V HN 0.327 nan 8.190 nan 0.000 0.445 149 R N 0.758 120.478 120.500 -1.300 0.000 2.313 149 R HA -0.409 3.931 4.340 -0.000 0.000 0.218 149 R C 2.237 178.185 176.300 -0.587 0.000 1.104 149 R CA 3.131 58.524 56.100 -1.178 0.000 0.793 149 R CB -0.723 29.228 30.300 -0.582 0.000 0.964 149 R HN 0.490 nan 8.270 nan 0.000 0.377 150 K N -0.128 120.061 120.400 -0.351 0.000 2.148 150 K HA -0.300 4.020 4.320 -0.000 0.000 0.213 150 K C 2.342 178.813 176.600 -0.216 0.000 1.050 150 K CA 2.456 58.614 56.287 -0.215 0.000 0.932 150 K CB -0.286 32.128 32.500 -0.144 0.000 0.717 150 K HN 0.378 nan 8.250 nan 0.000 0.462 151 K N 0.781 121.017 120.400 -0.273 0.000 2.076 151 K HA -0.039 4.281 4.320 -0.000 0.000 0.204 151 K C 1.881 178.311 176.600 -0.284 0.000 1.051 151 K CA 0.631 56.802 56.287 -0.193 0.000 0.949 151 K CB 0.222 32.674 32.500 -0.080 0.000 0.726 151 K HN -0.081 nan 8.250 nan 0.000 0.443 152 V N 1.825 121.362 119.914 -0.628 0.000 2.828 152 V HA -0.220 3.900 4.120 -0.000 0.000 0.260 152 V C 1.974 177.898 176.094 -0.283 0.000 1.101 152 V CA 1.356 63.246 62.300 -0.684 0.000 1.123 152 V CB -0.340 30.962 31.823 -0.868 0.000 0.704 152 V HN 0.334 nan 8.190 nan 0.000 0.493 153 L N -1.175 119.911 121.223 -0.228 0.000 2.202 153 L HA 0.044 4.383 4.340 -0.000 0.000 0.205 153 L C 2.638 179.460 176.870 -0.079 0.000 1.083 153 L CA 0.753 55.518 54.840 -0.126 0.000 0.790 153 L CB -0.406 41.587 42.059 -0.110 0.000 0.942 153 L HN 0.137 nan 8.230 nan 0.000 0.452 154 R N -0.296 120.159 120.500 -0.075 0.000 2.159 154 R HA -0.041 4.299 4.340 -0.000 0.000 0.237 154 R C 0.490 176.788 176.300 -0.004 0.000 1.131 154 R CA 0.526 56.607 56.100 -0.031 0.000 0.982 154 R CB -0.134 30.155 30.300 -0.019 0.000 0.868 154 R HN 0.217 nan 8.270 nan 0.000 0.453 155 S N -0.601 115.103 115.700 0.006 0.000 2.541 155 S HA 0.262 4.732 4.470 -0.000 0.000 0.283 155 S C 0.506 175.112 174.600 0.010 0.000 1.196 155 S CA -0.715 57.513 58.200 0.046 0.000 1.062 155 S CB 1.886 65.170 63.200 0.139 0.000 1.009 155 S HN 0.361 nan 8.310 nan 0.000 0.502 156 G N 1.418 110.225 108.800 0.012 0.000 3.022 156 G HA2 0.381 4.341 3.960 -0.000 0.000 0.246 156 G HA3 0.381 4.341 3.960 -0.000 0.000 0.246 156 G C 0.126 175.007 174.900 -0.032 0.000 0.859 156 G CA 0.205 45.298 45.100 -0.011 0.000 1.941 156 G HN 0.861 nan 8.290 nan 0.000 0.589 157 A N 0.682 123.471 122.820 -0.052 0.000 2.479 157 A HA 0.742 5.062 4.320 -0.000 0.000 0.296 157 A C -0.330 177.162 177.584 -0.154 0.000 1.121 157 A CA -0.965 51.014 52.037 -0.096 0.000 0.743 157 A CB 1.392 20.381 19.000 -0.019 0.000 1.323 157 A HN 0.260 nan 8.150 nan 0.000 0.415 158 N N 0.306 118.831 118.700 -0.291 0.000 2.473 158 N HA 0.472 5.212 4.740 -0.000 0.000 0.291 158 N C -1.627 173.846 175.510 -0.060 0.000 1.083 158 N CA 0.033 52.910 53.050 -0.289 0.000 0.951 158 N CB 1.577 39.629 38.487 -0.724 0.000 1.164 158 N HN 0.529 nan 8.380 nan 0.000 0.480 159 F N 1.876 121.752 119.950 -0.124 0.000 2.420 159 F HA 0.392 4.919 4.527 -0.000 0.000 0.342 159 F C -0.494 175.330 175.800 0.041 0.000 1.113 159 F CA -0.821 57.139 58.000 -0.067 0.000 1.059 159 F CB 0.936 39.861 39.000 -0.125 0.000 1.128 159 F HN 0.075 nan 8.300 nan 0.000 0.475 160 V N 6.512 126.011 119.914 -0.691 0.000 2.325 160 V HA 0.130 4.250 4.120 -0.000 0.000 0.280 160 V C -0.346 175.218 176.094 -0.884 0.000 1.016 160 V CA -0.766 61.230 62.300 -0.506 0.000 0.818 160 V CB 0.617 32.347 31.823 -0.154 0.000 1.019 160 V HN 0.667 nan 8.190 nan 0.000 0.434 161 H N 4.041 122.594 119.070 -0.862 0.000 3.017 161 H HA 0.579 5.135 4.556 -0.000 0.000 0.276 161 H C 0.230 175.414 175.328 -0.240 0.000 1.062 161 H CA 1.159 56.883 56.048 -0.540 0.000 1.486 161 H CB 0.839 30.528 29.762 -0.121 0.000 1.507 161 H HN 0.807 nan 8.280 nan 0.000 0.508 162 G N 3.546 112.263 108.800 -0.139 0.000 2.430 162 G HA2 0.148 4.108 3.960 -0.000 0.000 0.300 162 G HA3 0.148 4.108 3.960 -0.000 0.000 0.300 162 G C -1.669 173.188 174.900 -0.073 0.000 1.330 162 G CA -0.778 44.324 45.100 0.003 0.000 0.813 162 G HN 0.557 nan 8.290 nan 0.000 0.487 163 D N 0.090 120.469 120.400 -0.035 0.000 2.381 163 D HA 0.507 5.147 4.640 -0.000 0.000 0.235 163 D C -1.101 175.165 176.300 -0.057 0.000 1.068 163 D CA -2.233 51.738 54.000 -0.048 0.000 0.832 163 D CB 2.249 43.025 40.800 -0.041 0.000 1.101 163 D HN 0.083 nan 8.370 nan 0.000 0.515 164 P HA -0.089 nan 4.420 nan 0.000 0.234 164 P C 0.556 177.814 177.300 -0.068 0.000 1.162 164 P CA 0.681 63.754 63.100 -0.045 0.000 0.759 164 P CB 0.290 31.978 31.700 -0.021 0.000 0.813 165 T N -1.531 112.948 114.554 -0.125 0.000 3.037 165 T HA 0.061 4.411 4.350 -0.000 0.000 0.252 165 T C 1.056 175.639 174.700 -0.195 0.000 1.073 165 T CA 0.054 61.999 62.100 -0.258 0.000 1.091 165 T CB 0.074 68.667 68.868 -0.458 0.000 0.935 165 T HN 0.100 nan 8.240 nan 0.000 0.488 166 R N 1.749 122.183 120.500 -0.109 0.000 2.216 166 R HA 0.306 4.646 4.340 -0.000 0.000 0.332 166 R C 1.006 177.291 176.300 -0.025 0.000 1.056 166 R CA -0.208 55.860 56.100 -0.053 0.000 0.901 166 R CB 0.613 30.891 30.300 -0.038 0.000 1.039 166 R HN -0.009 nan 8.270 nan 0.000 0.456 167 V N 2.851 122.763 119.914 -0.003 0.000 2.324 167 V HA -0.328 3.792 4.120 -0.000 0.000 0.250 167 V C 2.268 178.358 176.094 -0.007 0.000 1.060 167 V CA 2.374 64.675 62.300 0.002 0.000 1.042 167 V CB -0.527 31.305 31.823 0.014 0.000 0.650 167 V HN 0.956 nan 8.190 nan 0.000 0.450 168 S N 0.013 115.709 115.700 -0.007 0.000 2.387 168 S HA -0.279 4.191 4.470 -0.000 0.000 0.230 168 S C 1.621 176.211 174.600 -0.016 0.000 1.035 168 S CA 1.863 60.057 58.200 -0.010 0.000 1.014 168 S CB -0.507 62.689 63.200 -0.007 0.000 0.836 168 S HN 0.644 nan 8.310 nan 0.000 0.466 169 D N 1.197 121.585 120.400 -0.019 0.000 2.249 169 D HA 0.171 4.811 4.640 -0.000 0.000 0.205 169 D C 1.990 178.269 176.300 -0.035 0.000 0.962 169 D CA 0.411 54.395 54.000 -0.026 0.000 0.860 169 D CB -0.234 40.551 40.800 -0.025 0.000 0.955 169 D HN 0.357 nan 8.370 nan 0.000 0.505 170 L N 1.072 122.277 121.223 -0.029 0.000 2.046 170 L HA -0.162 4.178 4.340 -0.000 0.000 0.208 170 L C 2.237 179.087 176.870 -0.034 0.000 1.077 170 L CA 1.218 56.040 54.840 -0.030 0.000 0.747 170 L CB -0.244 41.805 42.059 -0.018 0.000 0.896 170 L HN 0.018 nan 8.230 nan 0.000 0.432 171 E N -0.133 120.050 120.200 -0.028 0.000 2.204 171 E HA -0.224 4.126 4.350 -0.000 0.000 0.194 171 E C 1.997 178.571 176.600 -0.043 0.000 0.989 171 E CA 0.732 57.114 56.400 -0.031 0.000 0.824 171 E CB 0.004 29.689 29.700 -0.023 0.000 0.756 171 E HN 0.424 nan 8.360 nan 0.000 0.477 172 K N 0.219 120.593 120.400 -0.042 0.000 2.360 172 K HA -0.075 4.245 4.320 -0.000 0.000 0.201 172 K C 1.576 178.136 176.600 -0.066 0.000 1.046 172 K CA 0.918 57.177 56.287 -0.046 0.000 0.945 172 K CB 0.108 32.584 32.500 -0.040 0.000 0.750 172 K HN 0.019 nan 8.250 nan 0.000 0.464 173 A N 0.929 123.702 122.820 -0.078 0.000 2.430 173 A HA 0.026 4.346 4.320 -0.000 0.000 0.243 173 A C 0.185 177.690 177.584 -0.132 0.000 1.254 173 A CA -0.342 51.620 52.037 -0.124 0.000 0.914 173 A CB 0.036 18.986 19.000 -0.083 0.000 0.998 173 A HN 0.385 nan 8.150 nan 0.000 0.515 174 N N 0.150 118.802 118.700 -0.080 0.000 2.614 174 N HA -0.144 4.596 4.740 -0.000 0.000 0.276 174 N C 0.611 176.145 175.510 0.039 0.000 1.119 174 N CA 0.681 53.710 53.050 -0.035 0.000 0.742 174 N CB -1.008 37.426 38.487 -0.089 0.000 0.900 174 N HN 0.154 nan 8.380 nan 0.000 0.549 175 V N 2.597 122.510 119.914 -0.003 0.000 2.515 175 V HA -0.186 3.934 4.120 -0.000 0.000 0.250 175 V C 2.433 178.543 176.094 0.026 0.000 1.058 175 V CA 2.030 64.329 62.300 -0.002 0.000 1.064 175 V CB -0.254 31.560 31.823 -0.015 0.000 0.675 175 V HN 0.527 nan 8.190 nan 0.000 0.461 176 R N 0.598 121.108 120.500 0.017 0.000 2.119 176 R HA -0.176 4.164 4.340 -0.000 0.000 0.246 176 R C 2.188 178.504 176.300 0.027 0.000 1.146 176 R CA 1.751 57.858 56.100 0.012 0.000 0.962 176 R CB -0.668 29.630 30.300 -0.005 0.000 0.863 176 R HN 0.574 nan 8.270 nan 0.000 0.442 177 G N -0.158 108.672 108.800 0.050 0.000 3.088 177 G HA2 0.259 4.219 3.960 -0.000 0.000 0.217 177 G HA3 0.259 4.219 3.960 -0.000 0.000 0.217 177 G C 0.113 175.130 174.900 0.196 0.000 1.159 177 G CA 0.094 45.228 45.100 0.057 0.000 0.760 177 G HN 0.365 nan 8.290 nan 0.000 0.550 178 A N 0.717 123.666 122.820 0.216 0.000 2.524 178 A HA 0.322 4.642 4.320 -0.000 0.000 0.250 178 A C 1.601 179.232 177.584 0.078 0.000 1.078 178 A CA -0.020 52.072 52.037 0.093 0.000 0.761 178 A CB 0.181 19.129 19.000 -0.086 0.000 1.012 178 A HN 0.393 nan 8.150 nan 0.000 0.500 179 R N 1.726 122.282 120.500 0.093 0.000 2.127 179 R HA 0.052 4.392 4.340 -0.000 0.000 0.238 179 R C 0.472 176.790 176.300 0.030 0.000 1.134 179 R CA 1.649 57.788 56.100 0.065 0.000 0.975 179 R CB -0.109 30.235 30.300 0.072 0.000 0.865 179 R HN 1.132 nan 8.270 nan 0.000 0.447 180 A N -1.016 121.808 122.820 0.007 0.000 2.590 180 A HA 0.466 4.786 4.320 -0.000 0.000 0.294 180 A C -1.624 175.947 177.584 -0.021 0.000 1.046 180 A CA -0.773 51.263 52.037 -0.001 0.000 0.684 180 A CB 1.587 20.591 19.000 0.007 0.000 1.279 180 A HN -0.024 nan 8.150 nan 0.000 0.415 181 V N 1.729 121.634 119.914 -0.015 0.000 2.495 181 V HA 0.532 4.652 4.120 -0.000 0.000 0.298 181 V C -0.312 175.779 176.094 -0.005 0.000 1.031 181 V CA -0.305 61.983 62.300 -0.019 0.000 0.871 181 V CB 1.512 33.325 31.823 -0.017 0.000 0.988 181 V HN 0.687 nan 8.190 nan 0.000 0.432 182 I N 4.446 125.017 120.570 0.002 0.000 2.336 182 I HA 0.511 4.681 4.170 -0.000 0.000 0.292 182 I C -0.694 175.429 176.117 0.010 0.000 0.991 182 I CA -0.644 60.659 61.300 0.006 0.000 1.227 182 I CB 1.881 39.888 38.000 0.012 0.000 1.366 182 I HN 0.288 nan 8.210 nan 0.000 0.466 183 V N 5.036 124.950 119.914 0.001 0.000 2.483 183 V HA 0.410 4.530 4.120 -0.000 0.000 0.297 183 V C -1.015 175.074 176.094 -0.009 0.000 1.027 183 V CA -0.378 61.924 62.300 0.003 0.000 0.855 183 V CB 1.948 33.773 31.823 0.004 0.000 0.995 183 V HN 0.699 nan 8.190 nan 0.000 0.424 184 D N 4.543 124.940 120.400 -0.005 0.000 2.319 184 D HA 0.445 5.085 4.640 -0.000 0.000 0.237 184 D C -0.876 175.420 176.300 -0.006 0.000 1.353 184 D CA -0.185 53.801 54.000 -0.023 0.000 0.992 184 D CB 0.812 41.583 40.800 -0.049 0.000 1.368 184 D HN 0.347 nan 8.370 nan 0.000 0.564 185 L N 1.902 123.124 121.223 -0.003 0.000 2.376 185 L HA 0.489 4.829 4.340 -0.000 0.000 0.267 185 L C 1.782 178.654 176.870 0.003 0.000 1.035 185 L CA -0.937 53.909 54.840 0.010 0.000 0.800 185 L CB 1.019 43.085 42.059 0.012 0.000 1.290 185 L HN 0.324 nan 8.230 nan 0.000 0.462 186 E N 0.292 120.501 120.200 0.014 0.000 2.160 186 E HA -0.117 4.233 4.350 -0.000 0.000 0.195 186 E C 0.130 176.739 176.600 0.016 0.000 0.991 186 E CA 1.193 57.603 56.400 0.017 0.000 0.810 186 E CB 0.105 29.820 29.700 0.026 0.000 0.742 186 E HN 0.593 nan 8.360 nan 0.000 0.466 187 S N -0.064 115.645 115.700 0.015 0.000 2.571 187 S HA 0.198 4.668 4.470 -0.000 0.000 0.284 187 S C 0.056 174.663 174.600 0.013 0.000 1.128 187 S CA -0.960 57.250 58.200 0.017 0.000 0.970 187 S CB 2.074 65.289 63.200 0.025 0.000 1.039 187 S HN -0.199 nan 8.310 nan 0.000 0.485 188 D N 2.540 122.942 120.400 0.005 0.000 2.191 188 D HA -0.132 4.508 4.640 -0.000 0.000 0.195 188 D C 1.810 178.118 176.300 0.014 0.000 1.003 188 D CA 1.846 55.846 54.000 -0.001 0.000 0.867 188 D CB -0.356 40.438 40.800 -0.009 0.000 0.926 188 D HN 0.591 nan 8.370 nan 0.000 0.450 189 S N 0.699 116.413 115.700 0.022 0.000 2.351 189 S HA -0.187 4.283 4.470 -0.000 0.000 0.220 189 S C 1.832 176.474 174.600 0.071 0.000 1.035 189 S CA 1.108 59.331 58.200 0.038 0.000 1.031 189 S CB -0.286 62.937 63.200 0.039 0.000 0.928 189 S HN 0.422 nan 8.310 nan 0.000 0.433 190 E N 0.464 120.702 120.200 0.063 0.000 2.118 190 E HA -0.124 4.226 4.350 -0.000 0.000 0.195 190 E C 2.155 178.799 176.600 0.073 0.000 0.992 190 E CA 1.451 57.894 56.400 0.070 0.000 0.804 190 E CB -0.389 29.326 29.700 0.025 0.000 0.741 190 E HN 0.439 nan 8.360 nan 0.000 0.458 191 T N 1.729 116.309 114.554 0.044 0.000 2.701 191 T HA -0.116 4.234 4.350 -0.000 0.000 0.263 191 T C 1.903 176.633 174.700 0.050 0.000 1.040 191 T CA 0.763 62.883 62.100 0.033 0.000 1.147 191 T CB -0.094 68.778 68.868 0.007 0.000 0.865 191 T HN 0.060 nan 8.240 nan 0.000 0.426 192 I N 1.308 121.904 120.570 0.043 0.000 2.185 192 I HA -0.226 3.944 4.170 -0.000 0.000 0.246 192 I C 2.308 178.463 176.117 0.063 0.000 1.088 192 I CA 1.600 62.918 61.300 0.031 0.000 1.347 192 I CB -1.399 36.606 38.000 0.009 0.000 1.041 192 I HN 0.361 nan 8.210 nan 0.000 0.415 193 H N 0.746 119.811 119.070 -0.007 0.000 2.253 193 H HA -0.221 4.335 4.556 -0.000 0.000 0.296 193 H C 2.593 177.918 175.328 -0.005 0.000 1.067 193 H CA 2.299 58.344 56.048 -0.005 0.000 1.245 193 H CB -0.639 29.122 29.762 -0.002 0.000 1.364 193 H HN 0.412 nan 8.280 nan 0.000 0.494 194 C N 0.934 120.345 119.300 0.186 0.000 2.382 194 C HA -0.210 4.250 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 1.399 60.465 59.018 0.081 0.000 1.799 194 C CB -1.536 26.222 27.740 0.029 0.000 2.094 194 C HN 0.558 nan 8.230 nan 0.000 0.468 195 I N 0.256 120.861 120.570 0.058 0.000 2.076 195 I HA -0.234 3.936 4.170 -0.000 0.000 0.237 195 I C 2.606 178.744 176.117 0.035 0.000 1.059 195 I CA 1.991 63.311 61.300 0.033 0.000 1.317 195 I CB -0.648 37.364 38.000 0.019 0.000 1.037 195 I HN 0.375 nan 8.210 nan 0.000 0.398 196 L N 0.573 121.817 121.223 0.035 0.000 2.034 196 L HA -0.255 4.085 4.340 -0.000 0.000 0.217 196 L C 2.676 179.570 176.870 0.039 0.000 1.077 196 L CA 1.836 56.688 54.840 0.019 0.000 0.769 196 L CB -1.469 40.581 42.059 -0.015 0.000 0.890 196 L HN 0.421 nan 8.230 nan 0.000 0.435 197 G N 0.391 109.240 108.800 0.083 0.000 2.514 197 G HA2 -0.275 3.685 3.960 -0.000 0.000 0.217 197 G HA3 -0.275 3.685 3.960 -0.000 0.000 0.217 197 G C 1.519 176.441 174.900 0.037 0.000 1.198 197 G CA 1.118 46.263 45.100 0.075 0.000 0.780 197 G HN 0.303 nan 8.290 nan 0.000 0.565 198 I N 0.084 120.672 120.570 0.029 0.000 2.087 198 I HA -0.249 3.921 4.170 -0.000 0.000 0.240 198 I C 3.074 179.198 176.117 0.011 0.000 1.054 198 I CA 1.306 62.614 61.300 0.014 0.000 1.311 198 I CB -0.328 37.678 38.000 0.009 0.000 1.024 198 I HN 0.053 nan 8.210 nan 0.000 0.402 199 R N 1.040 121.547 120.500 0.012 0.000 2.133 199 R HA -0.262 4.078 4.340 -0.000 0.000 0.245 199 R C 2.117 178.420 176.300 0.007 0.000 1.137 199 R CA 1.580 57.684 56.100 0.007 0.000 0.947 199 R CB -0.984 29.319 30.300 0.004 0.000 0.865 199 R HN 0.395 nan 8.270 nan 0.000 0.437 200 K N 0.355 120.761 120.400 0.010 0.000 2.444 200 K HA -0.139 4.181 4.320 -0.000 0.000 0.200 200 K C 1.661 178.265 176.600 0.006 0.000 1.045 200 K CA 1.096 57.389 56.287 0.009 0.000 0.934 200 K CB 0.056 32.566 32.500 0.016 0.000 0.756 200 K HN 0.215 nan 8.250 nan 0.000 0.477 201 I N -1.393 119.180 120.570 0.006 0.000 4.049 201 I HA 0.008 4.178 4.170 -0.000 0.000 0.237 201 I C 0.510 176.628 176.117 0.002 0.000 1.076 201 I CA -0.342 60.960 61.300 0.003 0.000 1.610 201 I CB 0.126 38.126 38.000 0.001 0.000 1.544 201 I HN -0.042 nan 8.210 nan 0.000 0.458 202 D N 2.326 122.728 120.400 0.003 0.000 2.443 202 D HA 0.075 4.714 4.640 -0.000 0.000 0.221 202 D C 0.160 176.462 176.300 0.004 0.000 1.097 202 D CA -0.154 53.848 54.000 0.003 0.000 0.865 202 D CB 1.091 41.894 40.800 0.006 0.000 1.034 202 D HN 0.415 nan 8.370 nan 0.000 0.511 203 E N 1.284 121.486 120.200 0.003 0.000 2.365 203 E HA 0.067 4.417 4.350 -0.000 0.000 0.188 203 E C 0.291 176.893 176.600 0.003 0.000 1.102 203 E CA -0.044 56.358 56.400 0.003 0.000 0.927 203 E CB 0.294 29.995 29.700 0.001 0.000 1.073 203 E HN 0.017 nan 8.360 nan 0.000 0.467 204 S N -0.090 115.612 115.700 0.005 0.000 2.817 204 S HA 0.133 4.603 4.470 -0.000 0.000 0.262 204 S C 0.186 174.791 174.600 0.008 0.000 1.051 204 S CA -0.462 57.742 58.200 0.006 0.000 1.185 204 S CB 1.005 64.208 63.200 0.006 0.000 1.152 204 S HN 0.111 nan 8.310 nan 0.000 0.653 205 V N 3.087 123.006 119.914 0.008 0.000 2.763 205 V HA 0.159 4.279 4.120 -0.000 0.000 0.306 205 V C 0.742 176.840 176.094 0.007 0.000 1.059 205 V CA -0.030 62.276 62.300 0.009 0.000 1.138 205 V CB 0.342 32.169 31.823 0.007 0.000 0.940 205 V HN 0.343 nan 8.190 nan 0.000 0.489 206 R N 4.672 125.177 120.500 0.008 0.000 2.351 206 R HA 0.334 4.673 4.340 -0.000 0.000 0.318 206 R C -0.726 175.576 176.300 0.003 0.000 1.055 206 R CA -0.077 56.027 56.100 0.007 0.000 0.968 206 R CB 0.079 30.385 30.300 0.010 0.000 0.974 206 R HN 0.679 nan 8.270 nan 0.000 0.439 207 I N 6.774 127.345 120.570 0.002 0.000 2.354 207 I HA 0.295 4.465 4.170 -0.000 0.000 0.292 207 I C -0.192 175.925 176.117 -0.001 0.000 0.989 207 I CA -0.767 60.533 61.300 0.000 0.000 1.188 207 I CB 1.617 39.617 38.000 0.000 0.000 1.342 207 I HN 0.573 nan 8.210 nan 0.000 0.457 208 I N 6.032 126.600 120.570 -0.003 0.000 2.418 208 I HA 0.619 4.789 4.170 -0.000 0.000 0.287 208 I C -0.179 175.932 176.117 -0.010 0.000 1.008 208 I CA -0.427 60.870 61.300 -0.006 0.000 1.104 208 I CB 1.856 39.853 38.000 -0.005 0.000 1.264 208 I HN 0.560 nan 8.210 nan 0.000 0.438 209 A N 5.116 127.928 122.820 -0.015 0.000 2.413 209 A HA 0.668 4.988 4.320 -0.000 0.000 0.307 209 A C -0.813 176.749 177.584 -0.036 0.000 1.087 209 A CA -0.588 51.436 52.037 -0.022 0.000 0.750 209 A CB 1.804 20.793 19.000 -0.017 0.000 1.296 209 A HN 0.762 nan 8.150 nan 0.000 0.423 210 E N 1.056 121.225 120.200 -0.053 0.000 2.231 210 E HA 0.642 4.992 4.350 -0.000 0.000 0.277 210 E C -0.425 176.119 176.600 -0.092 0.000 0.999 210 E CA -0.651 55.699 56.400 -0.084 0.000 0.827 210 E CB 1.454 31.088 29.700 -0.111 0.000 1.101 210 E HN 0.846 nan 8.360 nan 0.000 0.393 211 A N 3.941 126.695 122.820 -0.110 0.000 2.303 211 A HA 0.264 4.584 4.320 -0.000 0.000 0.320 211 A C 0.337 177.819 177.584 -0.171 0.000 1.192 211 A CA -0.641 51.338 52.037 -0.096 0.000 0.821 211 A CB 1.169 20.139 19.000 -0.050 0.000 1.188 211 A HN 0.816 nan 8.150 nan 0.000 0.492 212 E N 1.407 121.518 120.200 -0.148 0.000 2.158 212 E HA -0.014 4.336 4.350 -0.000 0.000 0.191 212 E C 0.141 176.704 176.600 -0.061 0.000 0.982 212 E CA 0.893 57.170 56.400 -0.205 0.000 0.823 212 E CB 0.220 29.871 29.700 -0.081 0.000 0.766 212 E HN 0.638 nan 8.360 nan 0.000 0.468 213 R N -0.152 120.352 120.500 0.006 0.000 2.621 213 R HA 0.168 4.508 4.340 -0.000 0.000 0.292 213 R C 0.350 176.710 176.300 0.098 0.000 0.969 213 R CA -0.507 55.644 56.100 0.085 0.000 0.887 213 R CB 1.142 31.487 30.300 0.075 0.000 1.180 213 R HN -0.063 nan 8.270 nan 0.000 0.450 214 Y N 2.702 123.016 120.300 0.024 0.000 2.193 214 Y HA -0.242 4.308 4.550 -0.000 0.000 0.285 214 Y C 1.053 176.957 175.900 0.008 0.000 1.166 214 Y CA 2.083 60.192 58.100 0.015 0.000 1.181 214 Y CB 0.193 38.669 38.460 0.027 0.000 0.976 214 Y HN 0.652 nan 8.280 nan 0.000 0.520 215 E N -0.537 119.588 120.200 -0.125 0.000 2.463 215 E HA -0.147 4.203 4.350 -0.000 0.000 0.201 215 E C 0.786 177.284 176.600 -0.171 0.000 1.045 215 E CA 0.813 57.090 56.400 -0.206 0.000 0.872 215 E CB -0.150 29.511 29.700 -0.065 0.000 0.797 215 E HN 0.537 nan 8.360 nan 0.000 0.538 216 N N 0.097 118.720 118.700 -0.128 0.000 2.177 216 N HA 0.159 4.899 4.740 -0.000 0.000 0.218 216 N C 1.302 176.756 175.510 -0.092 0.000 1.182 216 N CA 0.010 53.006 53.050 -0.091 0.000 0.882 216 N CB 0.519 38.977 38.487 -0.048 0.000 1.052 216 N HN 0.173 nan 8.380 nan 0.000 0.519 217 I N 1.055 121.549 120.570 -0.126 0.000 2.264 217 I HA -0.250 3.920 4.170 -0.000 0.000 0.248 217 I C 2.335 178.408 176.117 -0.073 0.000 1.111 217 I CA 1.392 62.643 61.300 -0.082 0.000 1.382 217 I CB 0.004 37.964 38.000 -0.067 0.000 1.060 217 I HN 0.184 nan 8.210 nan 0.000 0.418 218 E N 0.644 120.784 120.200 -0.100 0.000 2.046 218 E HA -0.240 4.110 4.350 -0.000 0.000 0.190 218 E C 2.224 178.792 176.600 -0.054 0.000 0.982 218 E CA 1.002 57.359 56.400 -0.072 0.000 0.800 218 E CB 0.123 29.773 29.700 -0.083 0.000 0.756 218 E HN 0.426 nan 8.360 nan 0.000 0.449 219 Q N 0.484 120.249 119.800 -0.058 0.000 2.135 219 Q HA -0.129 4.210 4.340 -0.000 0.000 0.204 219 Q C 2.151 178.130 176.000 -0.035 0.000 0.981 219 Q CA 1.008 56.785 55.803 -0.044 0.000 0.856 219 Q CB -0.115 28.597 28.738 -0.043 0.000 0.902 219 Q HN 0.293 nan 8.270 nan 0.000 0.425 220 L N -0.119 121.082 121.223 -0.036 0.000 2.131 220 L HA -0.196 4.144 4.340 -0.000 0.000 0.210 220 L C 2.335 179.192 176.870 -0.021 0.000 1.092 220 L CA 1.187 56.012 54.840 -0.026 0.000 0.759 220 L CB -0.057 41.985 42.059 -0.028 0.000 0.903 220 L HN 0.197 nan 8.230 nan 0.000 0.435 221 R N -0.920 119.566 120.500 -0.024 0.000 2.066 221 R HA -0.042 4.298 4.340 -0.000 0.000 0.224 221 R C 2.284 178.573 176.300 -0.017 0.000 1.122 221 R CA 1.164 57.253 56.100 -0.018 0.000 0.974 221 R CB -0.287 30.002 30.300 -0.017 0.000 0.871 221 R HN 0.315 nan 8.270 nan 0.000 0.435 222 M N 0.585 120.172 119.600 -0.021 0.000 2.089 222 M HA -0.213 4.267 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 2.085 57.373 55.300 -0.020 0.000 1.096 222 M CB -0.663 31.922 32.600 -0.025 0.000 1.330 222 M HN 0.194 nan 8.290 nan 0.000 0.403 223 A N -0.356 122.452 122.820 -0.019 0.000 2.084 223 A HA 0.033 4.353 4.320 -0.000 0.000 0.221 223 A C 1.898 179.476 177.584 -0.010 0.000 1.161 223 A CA 1.894 53.921 52.037 -0.017 0.000 0.653 223 A CB -0.832 18.159 19.000 -0.015 0.000 0.802 223 A HN 0.797 nan 8.150 nan 0.000 0.457 224 G N -3.438 105.356 108.800 -0.009 0.000 2.234 224 G HA2 0.287 4.247 3.960 -0.000 0.000 0.153 224 G HA3 0.287 4.247 3.960 -0.000 0.000 0.153 224 G C 0.247 175.145 174.900 -0.003 0.000 1.013 224 G CA 0.073 45.170 45.100 -0.005 0.000 0.712 224 G HN 1.427 nan 8.290 nan 0.000 0.491 225 A N 0.384 123.201 122.820 -0.005 0.000 2.425 225 A HA 0.565 4.885 4.320 -0.000 0.000 0.249 225 A C 1.075 178.657 177.584 -0.004 0.000 1.084 225 A CA 0.806 52.840 52.037 -0.005 0.000 0.781 225 A CB 0.372 19.367 19.000 -0.008 0.000 1.019 225 A HN 0.161 nan 8.150 nan 0.000 0.490 226 D N 0.044 120.443 120.400 -0.002 0.000 2.259 226 D HA 0.037 4.677 4.640 -0.000 0.000 0.216 226 D C 0.470 176.770 176.300 -0.000 0.000 0.961 226 D CA 1.135 55.135 54.000 -0.000 0.000 0.878 226 D CB 0.327 41.129 40.800 0.002 0.000 1.009 226 D HN 0.639 nan 8.370 nan 0.000 0.490 227 Q N 0.672 120.471 119.800 -0.001 0.000 2.337 227 Q HA 0.438 4.778 4.340 -0.000 0.000 0.270 227 Q C -1.580 174.416 176.000 -0.006 0.000 1.043 227 Q CA -0.493 55.309 55.803 -0.001 0.000 0.794 227 Q CB 2.497 31.235 28.738 -0.000 0.000 1.281 227 Q HN -0.247 nan 8.270 nan 0.000 0.446 228 V N 5.256 125.167 119.914 -0.004 0.000 2.540 228 V HA 0.590 4.710 4.120 -0.000 0.000 0.302 228 V C -0.452 175.636 176.094 -0.009 0.000 1.035 228 V CA -0.620 61.674 62.300 -0.009 0.000 0.873 228 V CB 1.756 33.575 31.823 -0.007 0.000 0.992 228 V HN 0.777 nan 8.190 nan 0.000 0.428 229 I N 2.895 123.450 120.570 -0.024 0.000 2.465 229 I HA 0.429 4.599 4.170 -0.000 0.000 0.291 229 I C -0.116 175.968 176.117 -0.053 0.000 1.014 229 I CA -0.204 61.079 61.300 -0.029 0.000 1.093 229 I CB 2.315 40.294 38.000 -0.036 0.000 1.267 229 I HN 0.549 nan 8.210 nan 0.000 0.431 230 S N 7.592 123.269 115.700 -0.037 0.000 2.252 230 S HA 0.217 4.687 4.470 -0.000 0.000 0.180 230 S C -1.539 173.022 174.600 -0.065 0.000 1.534 230 S CA -1.132 57.030 58.200 -0.065 0.000 1.141 230 S CB 0.382 63.595 63.200 0.023 0.000 1.122 230 S HN 0.528 nan 8.310 nan 0.000 0.475 231 P HA -0.241 nan 4.420 nan 0.000 0.219 231 P C 1.027 178.447 177.300 0.200 0.000 1.153 231 P CA 1.662 64.753 63.100 -0.015 0.000 0.865 231 P CB -0.126 31.525 31.700 -0.083 0.000 0.788 232 F N -0.803 119.145 119.950 -0.003 0.000 2.259 232 F HA -0.097 4.430 4.527 -0.000 0.000 0.298 232 F C 2.529 178.319 175.800 -0.016 0.000 1.088 232 F CA 0.091 58.087 58.000 -0.007 0.000 1.358 232 F CB -0.576 38.426 39.000 0.003 0.000 1.040 232 F HN -0.254 nan 8.300 nan 0.000 0.505 233 V N 0.810 120.820 119.914 0.161 0.000 2.358 233 V HA -0.286 3.834 4.120 -0.000 0.000 0.246 233 V C 2.191 178.303 176.094 0.030 0.000 1.047 233 V CA 1.435 63.763 62.300 0.046 0.000 1.035 233 V CB -0.469 31.348 31.823 -0.009 0.000 0.658 233 V HN 0.284 nan 8.190 nan 0.000 0.452 234 I N 0.033 120.631 120.570 0.048 0.000 2.099 234 I HA -0.274 3.896 4.170 -0.000 0.000 0.239 234 I C 2.785 178.925 176.117 0.039 0.000 1.066 234 I CA 1.975 63.295 61.300 0.034 0.000 1.324 234 I CB -0.648 37.373 38.000 0.034 0.000 1.037 234 I HN 0.354 nan 8.210 nan 0.000 0.401 235 S N 0.841 116.582 115.700 0.069 0.000 2.368 235 S HA -0.207 4.263 4.470 -0.000 0.000 0.226 235 S C 2.092 176.700 174.600 0.014 0.000 1.044 235 S CA 1.992 60.220 58.200 0.047 0.000 1.062 235 S CB -0.880 62.363 63.200 0.071 0.000 0.931 235 S HN 0.584 nan 8.310 nan 0.000 0.440 236 G N 1.383 110.193 108.800 0.017 0.000 2.480 236 G HA2 -0.236 3.724 3.960 -0.000 0.000 0.216 236 G HA3 -0.236 3.724 3.960 -0.000 0.000 0.216 236 G C 1.540 176.429 174.900 -0.017 0.000 1.200 236 G CA 0.913 46.005 45.100 -0.012 0.000 0.782 236 G HN 0.578 nan 8.290 nan 0.000 0.554 237 R N -0.113 120.377 120.500 -0.017 0.000 2.094 237 R HA -0.005 4.335 4.340 -0.000 0.000 0.239 237 R C 2.718 179.013 176.300 -0.009 0.000 1.137 237 R CA 1.305 57.393 56.100 -0.020 0.000 0.943 237 R CB -0.710 29.576 30.300 -0.024 0.000 0.850 237 R HN 0.309 nan 8.270 nan 0.000 0.433 238 L N 0.312 121.536 121.223 0.001 0.000 2.051 238 L HA -0.289 4.051 4.340 -0.000 0.000 0.214 238 L C 2.603 179.468 176.870 -0.008 0.000 1.076 238 L CA 1.504 56.347 54.840 0.005 0.000 0.758 238 L CB -0.393 41.672 42.059 0.011 0.000 0.890 238 L HN 0.324 nan 8.230 nan 0.000 0.433 239 M N -0.492 119.099 119.600 -0.015 0.000 2.126 239 M HA -0.238 4.242 4.480 -0.000 0.000 0.259 239 M C 2.658 178.944 176.300 -0.023 0.000 1.073 239 M CA 2.407 57.693 55.300 -0.024 0.000 1.103 239 M CB -0.571 32.011 32.600 -0.030 0.000 1.284 239 M HN 0.393 nan 8.290 nan 0.000 0.420 240 S N 0.291 115.978 115.700 -0.022 0.000 2.423 240 S HA -0.211 4.259 4.470 -0.000 0.000 0.238 240 S C 1.789 176.379 174.600 -0.016 0.000 1.028 240 S CA 1.521 59.709 58.200 -0.020 0.000 1.000 240 S CB -0.669 62.518 63.200 -0.021 0.000 0.797 240 S HN 0.464 nan 8.310 nan 0.000 0.487 241 R N 1.021 121.514 120.500 -0.012 0.000 2.276 241 R HA 0.160 4.500 4.340 -0.000 0.000 0.196 241 R C 1.509 177.804 176.300 -0.009 0.000 0.961 241 R CA 0.876 56.973 56.100 -0.004 0.000 1.024 241 R CB -0.014 30.290 30.300 0.005 0.000 0.940 241 R HN 0.687 nan 8.270 nan 0.000 0.480 242 S N -0.700 114.987 115.700 -0.022 0.000 2.575 242 S HA 0.199 4.669 4.470 -0.000 0.000 0.237 242 S C 1.439 176.013 174.600 -0.044 0.000 0.975 242 S CA -0.362 57.813 58.200 -0.042 0.000 0.960 242 S CB -0.015 63.154 63.200 -0.052 0.000 0.822 242 S HN 0.128 nan 8.310 nan 0.000 0.472 243 I N 2.865 123.417 120.570 -0.029 0.000 2.252 243 I HA -0.191 3.979 4.170 -0.000 0.000 0.245 243 I C 2.172 178.274 176.117 -0.025 0.000 1.102 243 I CA 1.685 62.969 61.300 -0.027 0.000 1.385 243 I CB -0.476 37.512 38.000 -0.019 0.000 1.064 243 I HN 0.474 nan 8.210 nan 0.000 0.414 244 D N 0.440 120.830 120.400 -0.017 0.000 1.966 244 D HA -0.076 4.564 4.640 -0.000 0.000 0.256 244 D C 0.310 176.599 176.300 -0.018 0.000 0.991 244 D CA 0.656 54.654 54.000 -0.004 0.000 0.928 244 D CB -0.189 40.620 40.800 0.015 0.000 1.166 244 D HN 0.024 nan 8.370 nan 0.000 0.469 245 D N -1.194 119.198 120.400 -0.013 0.000 2.350 245 D HA 0.378 5.018 4.640 -0.000 0.000 0.245 245 D C 0.161 176.334 176.300 -0.211 0.000 1.036 245 D CA -0.527 53.414 54.000 -0.098 0.000 0.848 245 D CB 1.875 42.764 40.800 0.148 0.000 1.307 245 D HN 0.457 nan 8.370 nan 0.000 0.469 246 G N 1.010 109.551 108.800 -0.432 0.000 3.440 246 G HA2 0.010 3.970 3.960 -0.000 0.000 0.263 246 G HA3 0.010 3.970 3.960 -0.000 0.000 0.263 246 G C 0.523 175.228 174.900 -0.325 0.000 1.236 246 G CA -0.019 44.893 45.100 -0.313 0.000 0.927 246 G HN 0.419 nan 8.290 nan 0.000 0.530 247 Y N 1.235 121.551 120.300 0.028 0.000 2.220 247 Y HA -0.129 4.421 4.550 -0.000 0.000 0.291 247 Y C 2.853 178.798 175.900 0.075 0.000 1.129 247 Y CA 1.192 59.319 58.100 0.045 0.000 1.161 247 Y CB 0.053 38.527 38.460 0.023 0.000 0.997 247 Y HN 0.344 nan 8.280 nan 0.000 0.522 248 E N 0.934 121.247 120.200 0.187 0.000 2.097 248 E HA -0.267 4.083 4.350 -0.000 0.000 0.196 248 E C 2.150 178.843 176.600 0.154 0.000 1.000 248 E CA 1.633 58.119 56.400 0.143 0.000 0.804 248 E CB -0.756 28.994 29.700 0.083 0.000 0.740 248 E HN 0.468 nan 8.360 nan 0.000 0.454 249 A N 0.671 123.541 122.820 0.084 0.000 2.072 249 A HA 0.148 4.468 4.320 -0.000 0.000 0.216 249 A C 2.264 179.884 177.584 0.059 0.000 1.156 249 A CA 0.731 52.803 52.037 0.057 0.000 0.701 249 A CB -0.354 18.651 19.000 0.008 0.000 0.816 249 A HN 0.184 nan 8.150 nan 0.000 0.458 250 M N -1.858 117.787 119.600 0.074 0.000 2.254 250 M HA -0.008 4.472 4.480 -0.000 0.000 0.265 250 M C 1.874 178.246 176.300 0.120 0.000 1.066 250 M CA 1.221 56.565 55.300 0.074 0.000 1.123 250 M CB -0.207 32.444 32.600 0.086 0.000 1.388 250 M HN 0.579 nan 8.290 nan 0.000 0.425 251 F N 0.394 120.369 119.950 0.042 0.000 2.014 251 F HA -0.198 4.329 4.527 0.000 0.000 0.295 251 F C 2.019 177.830 175.800 0.019 0.000 1.145 251 F CA 1.719 59.740 58.000 0.036 0.000 1.178 251 F CB -0.841 38.182 39.000 0.038 0.000 0.972 251 F HN -0.201 nan 8.300 nan 0.000 0.476 252 V N 0.687 120.547 119.914 -0.090 0.000 2.250 252 V HA -0.416 3.704 4.120 -0.000 0.000 0.253 252 V C 2.451 178.431 176.094 -0.191 0.000 1.065 252 V CA 2.579 64.766 62.300 -0.187 0.000 1.039 252 V CB -0.965 30.854 31.823 -0.007 0.000 0.647 252 V HN 0.480 nan 8.190 nan 0.000 0.446 253 Q N -0.982 118.756 119.800 -0.102 0.000 2.079 253 Q HA -0.218 4.122 4.340 -0.000 0.000 0.200 253 Q C 2.077 178.016 176.000 -0.101 0.000 0.974 253 Q CA 1.833 57.587 55.803 -0.082 0.000 0.840 253 Q CB -0.172 28.541 28.738 -0.042 0.000 0.898 253 Q HN 0.652 nan 8.270 nan 0.000 0.430 254 D N -0.474 119.861 120.400 -0.109 0.000 2.117 254 D HA -0.115 4.525 4.640 -0.000 0.000 0.198 254 D C 1.836 178.048 176.300 -0.147 0.000 0.982 254 D CA 0.760 54.704 54.000 -0.094 0.000 0.828 254 D CB 0.071 40.844 40.800 -0.045 0.000 0.967 254 D HN 0.005 nan 8.370 nan 0.000 0.464 255 V N 0.671 120.412 119.914 -0.290 0.000 2.407 255 V HA -0.192 3.928 4.120 -0.000 0.000 0.248 255 V C 2.254 178.234 176.094 -0.191 0.000 1.055 255 V CA 1.170 63.279 62.300 -0.318 0.000 1.049 255 V CB -0.447 30.996 31.823 -0.634 0.000 0.662 255 V HN 0.278 nan 8.190 nan 0.000 0.455 256 L N -0.092 121.028 121.223 -0.171 0.000 2.554 256 L HA 0.231 4.571 4.340 -0.000 0.000 0.226 256 L C 1.160 177.987 176.870 -0.072 0.000 1.137 256 L CA 0.150 54.926 54.840 -0.105 0.000 0.863 256 L CB -0.403 41.600 42.059 -0.093 0.000 0.985 256 L HN 0.306 nan 8.230 nan 0.000 0.451 257 A N 0.357 123.135 122.820 -0.071 0.000 2.301 257 A HA 0.269 4.589 4.320 -0.000 0.000 0.298 257 A C 0.366 177.929 177.584 -0.036 0.000 1.185 257 A CA -0.498 51.512 52.037 -0.046 0.000 0.830 257 A CB 0.134 19.109 19.000 -0.041 0.000 1.112 257 A HN 0.321 nan 8.150 nan 0.000 0.508 258 E N 2.260 122.446 120.200 -0.024 0.000 3.057 258 E HA 0.077 4.427 4.350 -0.000 0.000 0.314 258 E C -0.337 176.256 176.600 -0.011 0.000 1.433 258 E CA 0.437 56.828 56.400 -0.015 0.000 1.546 258 E CB -0.331 29.363 29.700 -0.009 0.000 1.224 258 E HN 0.678 nan 8.360 nan 0.000 0.483 259 E N -0.296 119.896 120.200 -0.013 0.000 2.446 259 E HA 0.217 4.567 4.350 -0.000 0.000 0.276 259 E C 0.018 176.617 176.600 -0.002 0.000 0.969 259 E CA -0.480 55.916 56.400 -0.006 0.000 0.800 259 E CB 1.774 31.470 29.700 -0.007 0.000 1.341 259 E HN 0.191 nan 8.360 nan 0.000 0.460 260 S N -0.738 114.965 115.700 0.005 0.000 3.261 260 S HA -0.297 4.173 4.470 -0.000 0.000 0.287 260 S C 0.830 175.438 174.600 0.013 0.000 1.281 260 S CA 1.767 59.974 58.200 0.011 0.000 1.053 260 S CB -2.212 60.997 63.200 0.016 0.000 1.251 260 S HN 0.862 nan 8.310 nan 0.000 0.659 261 T N 0.169 114.729 114.554 0.010 0.000 13.097 261 T HA -0.290 4.060 4.350 -0.000 0.000 0.418 261 T C 0.341 175.050 174.700 0.014 0.000 1.446 261 T CA 1.729 63.836 62.100 0.012 0.000 2.371 261 T CB -1.328 67.549 68.868 0.015 0.000 2.810 261 T HN 0.977 nan 8.240 nan 0.000 0.655 262 R N 3.089 123.601 120.500 0.021 0.000 2.474 262 R HA 0.146 4.486 4.340 -0.000 0.000 0.290 262 R C 0.390 176.699 176.300 0.015 0.000 0.918 262 R CA 1.099 57.215 56.100 0.027 0.000 1.130 262 R CB -0.364 29.959 30.300 0.039 0.000 0.881 262 R HN 0.616 nan 8.270 nan 0.000 0.416 263 R N 2.226 122.738 120.500 0.019 0.000 2.574 263 R HA 0.298 4.638 4.340 -0.000 0.000 0.288 263 R C -0.127 176.182 176.300 0.015 0.000 1.004 263 R CA -0.732 55.373 56.100 0.008 0.000 0.895 263 R CB 2.257 32.563 30.300 0.009 0.000 1.191 263 R HN 0.472 nan 8.270 nan 0.000 0.444 264 M N 4.014 123.614 119.600 0.001 0.000 2.184 264 M HA 0.251 4.731 4.480 -0.000 0.000 0.351 264 M C -1.265 175.045 176.300 0.017 0.000 1.395 264 M CA 0.014 55.322 55.300 0.013 0.000 1.117 264 M CB 0.575 33.168 32.600 -0.012 0.000 1.708 264 M HN 0.336 nan 8.290 nan 0.000 0.468 265 V N 5.195 125.128 119.914 0.031 0.000 2.876 265 V HA 0.410 4.530 4.120 -0.000 0.000 0.312 265 V C -0.887 175.232 176.094 0.042 0.000 1.085 265 V CA -0.788 61.532 62.300 0.033 0.000 0.945 265 V CB 2.490 34.334 31.823 0.035 0.000 1.017 265 V HN 0.845 nan 8.190 nan 0.000 0.428 266 E N 2.854 123.079 120.200 0.041 0.000 2.114 266 E HA 0.645 4.995 4.350 -0.000 0.000 0.266 266 E C -1.457 175.175 176.600 0.055 0.000 0.896 266 E CA -0.592 55.837 56.400 0.048 0.000 0.750 266 E CB 1.943 31.666 29.700 0.040 0.000 1.121 266 E HN 0.286 nan 8.360 nan 0.000 0.413 267 V N 4.974 124.931 119.914 0.070 0.000 2.435 267 V HA 0.404 4.523 4.120 -0.000 0.000 0.290 267 V C -1.913 174.234 176.094 0.089 0.000 1.030 267 V CA -1.893 60.451 62.300 0.074 0.000 0.881 267 V CB 1.501 33.372 31.823 0.080 0.000 0.983 267 V HN 0.723 nan 8.190 nan 0.000 0.445 268 P HA 0.431 nan 4.420 nan 0.000 0.286 268 P C -0.783 176.568 177.300 0.085 0.000 1.261 268 P CA -0.480 62.669 63.100 0.081 0.000 0.821 268 P CB 1.625 33.361 31.700 0.060 0.000 1.013 269 I N 4.500 125.131 120.570 0.101 0.000 2.291 269 I HA 0.193 4.363 4.170 -0.000 0.000 0.292 269 I C -1.559 174.592 176.117 0.058 0.000 1.064 269 I CA -2.490 58.864 61.300 0.090 0.000 1.269 269 I CB 0.889 38.975 38.000 0.142 0.000 1.418 269 I HN 0.190 nan 8.210 nan 0.000 0.485 270 P HA -0.117 nan 4.420 nan 0.000 0.269 270 P C 0.521 177.832 177.300 0.020 0.000 1.205 270 P CA 0.170 63.284 63.100 0.023 0.000 0.780 270 P CB 1.071 32.778 31.700 0.012 0.000 0.858 271 E N 2.077 122.287 120.200 0.016 0.000 2.070 271 E HA -0.128 4.222 4.350 -0.000 0.000 0.197 271 E C 1.150 177.754 176.600 0.005 0.000 1.004 271 E CA 1.910 58.318 56.400 0.013 0.000 0.805 271 E CB -1.006 28.701 29.700 0.010 0.000 0.744 271 E HN 0.662 nan 8.360 nan 0.000 0.451 272 G N 0.392 109.191 108.800 -0.002 0.000 2.741 272 G HA2 0.382 4.342 3.960 -0.000 0.000 0.336 272 G HA3 0.382 4.342 3.960 -0.000 0.000 0.336 272 G C -0.969 173.917 174.900 -0.022 0.000 1.022 272 G CA -0.001 45.093 45.100 -0.011 0.000 1.193 272 G HN 0.163 nan 8.290 nan 0.000 0.455 273 S N 1.634 117.318 115.700 -0.027 0.000 2.472 273 S HA 0.330 4.800 4.470 -0.000 0.000 0.303 273 S C 1.154 175.705 174.600 -0.082 0.000 1.099 273 S CA -0.892 57.276 58.200 -0.054 0.000 1.077 273 S CB 0.894 64.069 63.200 -0.043 0.000 1.031 273 S HN 0.607 nan 8.310 nan 0.000 0.487 274 K N 4.184 124.509 120.400 -0.126 0.000 2.668 274 K HA 0.157 4.477 4.320 -0.000 0.000 0.204 274 K C 0.701 177.184 176.600 -0.196 0.000 1.016 274 K CA 0.546 56.742 56.287 -0.152 0.000 1.131 274 K CB -0.283 32.108 32.500 -0.183 0.000 0.891 274 K HN 0.556 nan 8.250 nan 0.000 0.499 275 L N 0.112 121.232 121.223 -0.171 0.000 2.758 275 L HA 0.091 4.431 4.340 -0.000 0.000 0.234 275 L C 0.548 177.379 176.870 -0.066 0.000 1.049 275 L CA -0.312 54.419 54.840 -0.182 0.000 0.908 275 L CB 0.379 42.256 42.059 -0.303 0.000 1.362 275 L HN 0.274 nan 8.230 nan 0.000 0.499 276 E N 1.091 121.275 120.200 -0.026 0.000 3.102 276 E HA -0.033 4.317 4.350 -0.000 0.000 0.235 276 E C 1.029 177.639 176.600 0.016 0.000 0.995 276 E CA 1.101 57.515 56.400 0.024 0.000 0.950 276 E CB -0.124 29.582 29.700 0.010 0.000 0.905 276 E HN 0.440 nan 8.360 nan 0.000 0.553 277 G N 2.536 111.359 108.800 0.039 0.000 2.238 277 G HA2 -0.260 3.700 3.960 -0.000 0.000 0.217 277 G HA3 -0.260 3.700 3.960 -0.000 0.000 0.217 277 G C 0.213 175.134 174.900 0.034 0.000 0.996 277 G CA -0.103 45.006 45.100 0.016 0.000 0.632 277 G HN 0.572 nan 8.290 nan 0.000 0.503 278 V N 1.635 121.582 119.914 0.055 0.000 2.811 278 V HA 0.571 4.691 4.120 -0.000 0.000 0.302 278 V C 1.213 177.411 176.094 0.173 0.000 1.063 278 V CA 0.560 62.901 62.300 0.068 0.000 1.088 278 V CB 1.627 33.452 31.823 0.003 0.000 0.982 278 V HN 0.623 nan 8.190 nan 0.000 0.485 279 S N 2.454 118.244 115.700 0.151 0.000 2.562 279 S HA 0.234 4.704 4.470 -0.000 0.000 0.275 279 S C 1.024 175.805 174.600 0.301 0.000 1.281 279 S CA -0.653 57.669 58.200 0.204 0.000 1.045 279 S CB 1.484 64.760 63.200 0.125 0.000 0.962 279 S HN 0.445 nan 8.310 nan 0.000 0.503 280 V N 5.986 126.156 119.914 0.426 0.000 2.282 280 V HA -0.198 3.922 4.120 -0.000 0.000 0.249 280 V C 2.348 178.600 176.094 0.263 0.000 1.057 280 V CA 2.270 64.866 62.300 0.493 0.000 1.032 280 V CB -0.926 31.123 31.823 0.377 0.000 0.645 280 V HN 0.896 nan 8.190 nan 0.000 0.447 281 L N -0.240 121.095 121.223 0.187 0.000 2.079 281 L HA -0.221 4.119 4.340 -0.000 0.000 0.210 281 L C 2.339 179.275 176.870 0.111 0.000 1.081 281 L CA 1.912 56.827 54.840 0.125 0.000 0.752 281 L CB -0.443 41.673 42.059 0.096 0.000 0.896 281 L HN 0.417 nan 8.230 nan 0.000 0.433 282 D N -0.160 120.310 120.400 0.117 0.000 2.183 282 D HA -0.089 4.551 4.640 -0.000 0.000 0.203 282 D C 2.029 178.390 176.300 0.101 0.000 0.969 282 D CA 1.263 55.318 54.000 0.092 0.000 0.842 282 D CB 0.171 41.018 40.800 0.078 0.000 0.957 282 D HN 0.451 nan 8.370 nan 0.000 0.484 283 A N 0.635 123.528 122.820 0.122 0.000 2.167 283 A HA -0.078 4.242 4.320 -0.000 0.000 0.214 283 A C 0.446 178.112 177.584 0.137 0.000 1.151 283 A CA 0.247 52.376 52.037 0.154 0.000 0.735 283 A CB -0.025 19.027 19.000 0.087 0.000 0.802 283 A HN -0.044 nan 8.150 nan 0.000 0.467 284 D N -0.559 119.899 120.400 0.097 0.000 2.730 284 D HA -0.206 4.434 4.640 -0.000 0.000 0.227 284 D C 0.890 177.186 176.300 -0.005 0.000 1.196 284 D CA 0.753 54.786 54.000 0.055 0.000 0.620 284 D CB -1.356 39.461 40.800 0.027 0.000 1.012 284 D HN 0.633 nan 8.370 nan 0.000 0.411 285 I N -0.944 119.636 120.570 0.016 0.000 2.290 285 I HA -0.386 3.784 4.170 -0.000 0.000 0.253 285 I C 2.249 178.349 176.117 -0.028 0.000 1.112 285 I CA 1.372 62.632 61.300 -0.067 0.000 1.377 285 I CB -0.335 37.693 38.000 0.045 0.000 1.060 285 I HN 0.314 nan 8.210 nan 0.000 0.428 286 H N 1.496 120.530 119.070 -0.059 0.000 2.261 286 H HA -0.161 4.395 4.556 -0.000 0.000 0.301 286 H C 1.904 177.186 175.328 -0.076 0.000 1.067 286 H CA 1.861 57.880 56.048 -0.050 0.000 1.297 286 H CB -0.353 29.397 29.762 -0.019 0.000 1.377 286 H HN 0.207 nan 8.280 nan 0.000 0.492 287 D N -0.243 120.081 120.400 -0.127 0.000 2.133 287 D HA -0.147 4.493 4.640 -0.000 0.000 0.195 287 D C 2.405 178.588 176.300 -0.195 0.000 0.997 287 D CA 1.670 55.549 54.000 -0.201 0.000 0.840 287 D CB -0.155 40.582 40.800 -0.105 0.000 0.947 287 D HN 0.271 nan 8.370 nan 0.000 0.452 288 V N 0.508 120.290 119.914 -0.221 0.000 2.283 288 V HA -0.159 3.961 4.120 -0.000 0.000 0.243 288 V C 2.488 178.404 176.094 -0.296 0.000 1.039 288 V CA 1.820 63.925 62.300 -0.324 0.000 1.016 288 V CB -0.635 30.778 31.823 -0.683 0.000 0.650 288 V HN 0.162 nan 8.190 nan 0.000 0.449 289 T N -1.390 113.001 114.554 -0.272 0.000 3.021 289 T HA 0.317 4.667 4.350 -0.000 0.000 0.245 289 T C 1.479 176.138 174.700 -0.069 0.000 1.028 289 T CA 1.251 63.257 62.100 -0.158 0.000 1.139 289 T CB 0.491 69.284 68.868 -0.125 0.000 0.884 289 T HN 0.776 nan 8.240 nan 0.000 0.457 290 G N 0.890 109.672 108.800 -0.030 0.000 2.176 290 G HA2 -0.218 3.742 3.960 -0.000 0.000 0.232 290 G HA3 -0.218 3.742 3.960 -0.000 0.000 0.232 290 G C 0.218 175.223 174.900 0.175 0.000 0.986 290 G CA -0.038 45.076 45.100 0.025 0.000 0.643 290 G HN 0.506 nan 8.290 nan 0.000 0.522 291 V N 2.889 122.885 119.914 0.137 0.000 2.389 291 V HA 0.388 4.508 4.120 -0.000 0.000 0.264 291 V C 1.134 177.288 176.094 0.100 0.000 1.049 291 V CA -0.452 61.912 62.300 0.106 0.000 0.932 291 V CB 0.964 32.828 31.823 0.068 0.000 1.011 291 V HN 0.332 nan 8.190 nan 0.000 0.475 292 I N 6.634 127.221 120.570 0.029 0.000 2.618 292 I HA 0.160 4.330 4.170 -0.000 0.000 0.284 292 I C 0.437 176.537 176.117 -0.028 0.000 1.146 292 I CA 0.220 61.451 61.300 -0.114 0.000 1.425 292 I CB 0.502 38.419 38.000 -0.139 0.000 1.383 292 I HN 0.569 nan 8.210 nan 0.000 0.562 293 I N 5.819 126.373 120.570 -0.028 0.000 2.306 293 I HA 0.298 4.467 4.170 -0.000 0.000 0.288 293 I C 0.992 177.102 176.117 -0.012 0.000 1.036 293 I CA -0.491 60.822 61.300 0.023 0.000 1.221 293 I CB 0.788 38.837 38.000 0.081 0.000 1.385 293 I HN 0.619 nan 8.210 nan 0.000 0.472 294 I N 2.643 123.213 120.570 0.001 0.000 3.684 294 I HA 0.631 4.801 4.170 -0.000 0.000 0.304 294 I C 0.680 176.779 176.117 -0.030 0.000 1.278 294 I CA -0.078 61.213 61.300 -0.014 0.000 1.272 294 I CB -0.254 37.764 38.000 0.031 0.000 1.029 294 I HN 0.782 nan 8.210 nan 0.000 0.458 295 G N 0.347 109.125 108.800 -0.037 0.000 2.358 295 G HA2 0.412 4.372 3.960 -0.000 0.000 0.301 295 G HA3 0.412 4.372 3.960 -0.000 0.000 0.301 295 G C -1.585 173.260 174.900 -0.090 0.000 1.539 295 G CA -0.555 44.495 45.100 -0.084 0.000 0.893 295 G HN -0.064 nan 8.290 nan 0.000 0.636 296 V N -0.175 119.627 119.914 -0.187 0.000 2.715 296 V HA 0.931 5.051 4.120 -0.000 0.000 0.310 296 V C 0.761 176.784 176.094 -0.118 0.000 1.054 296 V CA 0.005 62.202 62.300 -0.172 0.000 0.928 296 V CB 1.950 33.545 31.823 -0.379 0.000 1.007 296 V HN 1.497 nan 8.190 nan 0.000 0.437 297 G N 2.441 111.222 108.800 -0.032 0.000 2.530 297 G HA2 0.633 4.593 3.960 -0.000 0.000 0.316 297 G HA3 0.633 4.593 3.960 -0.000 0.000 0.316 297 G C -0.711 174.206 174.900 0.028 0.000 1.298 297 G CA -0.712 44.385 45.100 -0.006 0.000 0.948 297 G HN 0.412 nan 8.290 nan 0.000 0.486 298 R N 1.917 122.434 120.500 0.029 0.000 2.423 298 R HA 0.346 4.686 4.340 -0.000 0.000 0.293 298 R C 0.795 177.112 176.300 0.028 0.000 1.196 298 R CA -0.406 55.718 56.100 0.040 0.000 1.262 298 R CB 0.790 31.119 30.300 0.049 0.000 1.116 298 R HN 1.009 nan 8.270 nan 0.000 0.566 299 G N 2.938 111.754 108.800 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 0.212 175.122 174.900 0.016 0.000 0.103 299 G CA 0.618 45.731 45.100 0.021 0.000 1.240 299 G HN 0.784 nan 8.290 nan 0.000 0.553 300 D N 0.203 120.612 120.400 0.014 0.000 2.946 300 D HA -0.168 4.472 4.640 -0.000 0.000 0.202 300 D C 0.497 176.802 176.300 0.009 0.000 1.068 300 D CA 2.173 56.179 54.000 0.011 0.000 1.011 300 D CB -0.677 40.129 40.800 0.010 0.000 1.105 300 D HN 0.941 nan 8.370 nan 0.000 0.425 301 E N -0.467 119.738 120.200 0.008 0.000 2.390 301 E HA 0.668 5.018 4.350 -0.000 0.000 0.277 301 E C -1.571 175.027 176.600 -0.005 0.000 0.939 301 E CA -0.741 55.661 56.400 0.003 0.000 0.769 301 E CB 2.483 32.187 29.700 0.006 0.000 1.251 301 E HN 0.102 nan 8.360 nan 0.000 0.450 302 L N 4.307 125.520 121.223 -0.016 0.000 2.482 302 L HA 0.603 4.943 4.340 -0.000 0.000 0.263 302 L C -1.787 175.048 176.870 -0.059 0.000 0.957 302 L CA -0.571 54.246 54.840 -0.037 0.000 0.836 302 L CB 1.496 43.541 42.059 -0.024 0.000 1.324 302 L HN 0.565 nan 8.230 nan 0.000 0.406 303 I N 4.581 125.085 120.570 -0.109 0.000 2.441 303 I HA 0.280 4.450 4.170 -0.000 0.000 0.295 303 I C 0.147 176.179 176.117 -0.141 0.000 0.994 303 I CA -0.613 60.607 61.300 -0.133 0.000 1.144 303 I CB 1.905 39.780 38.000 -0.208 0.000 1.314 303 I HN 0.636 nan 8.210 nan 0.000 0.445 304 I N 2.844 123.353 120.570 -0.101 0.000 2.330 304 I HA -0.093 4.077 4.170 -0.000 0.000 0.229 304 I C 1.185 177.240 176.117 -0.102 0.000 1.063 304 I CA 1.209 62.458 61.300 -0.085 0.000 1.367 304 I CB -0.117 37.851 38.000 -0.055 0.000 1.158 304 I HN 0.570 nan 8.210 nan 0.000 0.411 305 D N 3.228 123.574 120.400 -0.090 0.000 2.483 305 D HA 0.114 4.754 4.640 -0.000 0.000 0.220 305 D C -2.266 173.968 176.300 -0.110 0.000 1.173 305 D CA -2.329 51.620 54.000 -0.086 0.000 0.964 305 D CB 0.009 40.771 40.800 -0.063 0.000 1.046 305 D HN 0.052 nan 8.370 nan 0.000 0.517 306 P HA 0.117 nan 4.420 nan 0.000 0.264 306 P C -2.457 174.777 177.300 -0.110 0.000 1.193 306 P CA -0.956 61.991 63.100 -0.256 0.000 0.763 306 P CB 0.126 31.529 31.700 -0.496 0.000 0.810 307 P HA 0.068 nan 4.420 nan 0.000 0.268 307 P C 1.034 178.373 177.300 0.066 0.000 1.208 307 P CA -0.014 63.095 63.100 0.016 0.000 0.777 307 P CB 0.932 32.652 31.700 0.034 0.000 0.875 308 R N 1.634 122.171 120.500 0.062 0.000 2.112 308 R HA -0.165 4.175 4.340 -0.000 0.000 0.242 308 R C 1.413 177.782 176.300 0.114 0.000 1.137 308 R CA 2.131 58.282 56.100 0.085 0.000 0.944 308 R CB -0.799 29.538 30.300 0.061 0.000 0.857 308 R HN 0.656 nan 8.270 nan 0.000 0.435 309 D N -0.016 120.442 120.400 0.095 0.000 2.396 309 D HA -0.132 4.508 4.640 -0.000 0.000 0.255 309 D C -0.265 176.099 176.300 0.106 0.000 1.224 309 D CA 0.094 54.146 54.000 0.086 0.000 0.894 309 D CB -0.412 40.421 40.800 0.055 0.000 0.939 309 D HN 0.206 nan 8.370 nan 0.000 0.506 310 Y N 2.321 122.623 120.300 0.004 0.000 2.301 310 Y HA 0.242 4.792 4.550 -0.000 0.000 0.325 310 Y C 0.065 175.964 175.900 -0.002 0.000 1.203 310 Y CA -0.940 57.136 58.100 -0.040 0.000 1.255 310 Y CB 1.250 39.642 38.460 -0.113 0.000 1.232 310 Y HN -0.040 nan 8.280 nan 0.000 0.501 311 S N 5.507 120.794 115.700 -0.688 0.000 2.596 311 S HA 0.482 4.952 4.470 -0.000 0.000 0.318 311 S C -0.992 173.315 174.600 -0.487 0.000 1.097 311 S CA -0.793 57.194 58.200 -0.356 0.000 1.080 311 S CB -0.015 63.058 63.200 -0.212 0.000 0.991 311 S HN 0.449 nan 8.310 nan 0.000 0.471 312 F N 2.733 122.565 119.950 -0.197 0.000 2.589 312 F HA 0.337 4.864 4.527 -0.000 0.000 0.352 312 F C 1.644 177.391 175.800 -0.087 0.000 1.168 312 F CA 0.202 58.167 58.000 -0.058 0.000 1.353 312 F CB 0.548 39.581 39.000 0.055 0.000 1.116 312 F HN 0.580 nan 8.300 nan 0.000 0.608 313 R N 0.674 121.245 120.500 0.118 0.000 3.328 313 R HA 0.733 5.073 4.340 -0.000 0.000 0.232 313 R C 0.836 177.190 176.300 0.091 0.000 1.606 313 R CA -0.421 55.714 56.100 0.059 0.000 1.025 313 R CB 0.250 30.552 30.300 0.004 0.000 1.701 313 R HN 0.611 nan 8.270 nan 0.000 0.526 314 A N 0.169 123.022 122.820 0.056 0.000 1.849 314 A HA 0.063 4.383 4.320 -0.000 0.000 0.214 314 A C 1.946 179.569 177.584 0.064 0.000 1.269 314 A CA 1.373 53.442 52.037 0.054 0.000 0.605 314 A CB -1.491 17.528 19.000 0.032 0.000 0.937 314 A HN 0.754 nan 8.150 nan 0.000 0.461 315 G N -0.049 108.783 108.800 0.052 0.000 2.527 315 G HA2 -0.034 3.926 3.960 -0.000 0.000 0.219 315 G HA3 -0.034 3.926 3.960 -0.000 0.000 0.219 315 G C -0.052 174.890 174.900 0.070 0.000 1.117 315 G CA 0.692 45.824 45.100 0.053 0.000 0.759 315 G HN 0.478 nan 8.290 nan 0.000 0.556 316 D N -0.034 120.422 120.400 0.092 0.000 2.601 316 D HA 0.139 4.779 4.640 -0.000 0.000 0.229 316 D C 0.350 176.726 176.300 0.126 0.000 1.140 316 D CA 0.785 54.856 54.000 0.118 0.000 0.862 316 D CB 0.859 41.760 40.800 0.169 0.000 1.192 316 D HN 0.103 nan 8.370 nan 0.000 0.480 317 I N 2.633 123.265 120.570 0.103 0.000 2.465 317 I HA 0.304 4.474 4.170 -0.000 0.000 0.291 317 I C -0.136 176.042 176.117 0.102 0.000 1.014 317 I CA -0.802 60.556 61.300 0.097 0.000 1.093 317 I CB 1.585 39.623 38.000 0.063 0.000 1.267 317 I HN 0.135 nan 8.210 nan 0.000 0.431 318 I N 6.553 127.203 120.570 0.132 0.000 2.304 318 I HA 0.188 4.358 4.170 -0.000 0.000 0.291 318 I C -0.591 175.580 176.117 0.090 0.000 1.018 318 I CA -0.635 60.751 61.300 0.143 0.000 1.260 318 I CB 1.494 39.622 38.000 0.214 0.000 1.390 318 I HN 0.306 nan 8.210 nan 0.000 0.475 319 L N 7.801 129.061 121.223 0.062 0.000 2.270 319 L HA 0.686 5.026 4.340 -0.000 0.000 0.286 319 L C 0.066 176.969 176.870 0.054 0.000 1.059 319 L CA 0.272 55.141 54.840 0.049 0.000 0.839 319 L CB 0.566 42.643 42.059 0.030 0.000 1.221 319 L HN 0.585 nan 8.230 nan 0.000 0.431 320 G N 5.223 114.059 108.800 0.061 0.000 2.659 320 G HA2 0.618 4.578 3.960 -0.000 0.000 0.296 320 G HA3 0.618 4.578 3.960 -0.000 0.000 0.296 320 G C -1.326 173.610 174.900 0.060 0.000 1.369 320 G CA -0.649 44.487 45.100 0.060 0.000 0.937 320 G HN 0.480 nan 8.290 nan 0.000 0.485 321 I N 0.531 121.140 120.570 0.065 0.000 2.460 321 I HA 0.804 4.974 4.170 -0.000 0.000 0.298 321 I C 0.643 176.797 176.117 0.063 0.000 0.989 321 I CA -0.514 60.828 61.300 0.070 0.000 1.173 321 I CB 2.083 40.148 38.000 0.109 0.000 1.338 321 I HN 0.803 nan 8.210 nan 0.000 0.456 322 G N 3.482 112.316 108.800 0.056 0.000 2.387 322 G HA2 0.325 4.285 3.960 -0.000 0.000 0.294 322 G HA3 0.325 4.285 3.960 -0.000 0.000 0.294 322 G C -1.699 173.226 174.900 0.042 0.000 1.509 322 G CA -1.037 44.096 45.100 0.056 0.000 0.806 322 G HN 0.370 nan 8.290 nan 0.000 0.546 323 K N 1.936 122.360 120.400 0.039 0.000 2.436 323 K HA 0.240 4.560 4.320 -0.000 0.000 0.275 323 K C -1.029 175.586 176.600 0.025 0.000 0.999 323 K CA -1.023 55.281 56.287 0.028 0.000 0.980 323 K CB 1.016 33.529 32.500 0.023 0.000 0.919 323 K HN 0.224 nan 8.250 nan 0.000 0.484 324 P HA -0.279 nan 4.420 nan 0.000 0.216 324 P C 0.256 177.568 177.300 0.019 0.000 1.157 324 P CA 1.707 64.819 63.100 0.020 0.000 0.880 324 P CB 0.252 31.962 31.700 0.017 0.000 0.791 325 E N 0.460 120.669 120.200 0.016 0.000 2.033 325 E HA -0.228 4.122 4.350 -0.000 0.000 0.199 325 E C 2.208 178.816 176.600 0.013 0.000 1.011 325 E CA 1.378 57.786 56.400 0.013 0.000 0.815 325 E CB -0.613 29.092 29.700 0.008 0.000 0.755 325 E HN 0.409 nan 8.360 nan 0.000 0.451 326 E N 0.640 120.848 120.200 0.013 0.000 2.108 326 E HA -0.250 4.100 4.350 -0.000 0.000 0.203 326 E C 2.201 178.813 176.600 0.020 0.000 1.022 326 E CA 1.364 57.771 56.400 0.012 0.000 0.823 326 E CB -0.282 29.432 29.700 0.023 0.000 0.744 326 E HN 0.293 nan 8.360 nan 0.000 0.456 327 I N 0.834 121.421 120.570 0.028 0.000 2.099 327 I HA -0.324 3.846 4.170 -0.000 0.000 0.239 327 I C 2.745 178.884 176.117 0.035 0.000 1.066 327 I CA 1.483 62.803 61.300 0.035 0.000 1.324 327 I CB -0.429 37.592 38.000 0.034 0.000 1.037 327 I HN 0.194 nan 8.210 nan 0.000 0.401 328 E N 1.196 121.413 120.200 0.029 0.000 2.086 328 E HA -0.328 4.022 4.350 -0.000 0.000 0.200 328 E C 2.399 179.020 176.600 0.035 0.000 1.012 328 E CA 1.666 58.084 56.400 0.030 0.000 0.812 328 E CB -0.134 29.580 29.700 0.023 0.000 0.743 328 E HN 0.273 nan 8.360 nan 0.000 0.453 329 R N 0.373 120.890 120.500 0.028 0.000 2.105 329 R HA -0.130 4.210 4.340 -0.000 0.000 0.239 329 R C 2.615 178.946 176.300 0.052 0.000 1.135 329 R CA 1.161 57.278 56.100 0.028 0.000 0.967 329 R CB -0.279 30.021 30.300 0.001 0.000 0.861 329 R HN 0.342 nan 8.270 nan 0.000 0.442 330 L N 0.783 122.035 121.223 0.048 0.000 2.093 330 L HA -0.170 4.170 4.340 -0.000 0.000 0.208 330 L C 1.981 178.920 176.870 0.114 0.000 1.085 330 L CA 1.530 56.418 54.840 0.080 0.000 0.755 330 L CB -0.146 41.951 42.059 0.063 0.000 0.904 330 L HN 0.191 nan 8.230 nan 0.000 0.435 331 K N -0.278 120.169 120.400 0.078 0.000 2.057 331 K HA -0.155 4.165 4.320 -0.000 0.000 0.207 331 K C 1.815 178.453 176.600 0.064 0.000 1.049 331 K CA 1.507 57.833 56.287 0.065 0.000 0.931 331 K CB -0.198 32.331 32.500 0.048 0.000 0.714 331 K HN 0.417 nan 8.250 nan 0.000 0.440 332 N N 0.588 119.331 118.700 0.071 0.000 2.142 332 N HA -0.179 4.561 4.740 -0.000 0.000 0.186 332 N C 1.554 177.114 175.510 0.084 0.000 1.023 332 N CA 0.958 54.046 53.050 0.063 0.000 0.852 332 N CB -0.344 38.179 38.487 0.060 0.000 0.998 332 N HN 0.219 nan 8.380 nan 0.000 0.424 333 Y N 1.344 121.633 120.300 -0.019 0.000 2.749 333 Y HA 0.003 4.553 4.550 -0.000 0.000 0.321 333 Y C 1.313 177.186 175.900 -0.046 0.000 1.195 333 Y CA 0.708 58.789 58.100 -0.031 0.000 1.338 333 Y CB -0.298 38.142 38.460 -0.034 0.000 1.017 333 Y HN 0.067 nan 8.280 nan 0.000 0.517 334 I N -2.259 118.278 120.570 -0.056 0.000 4.706 334 I HA 0.012 4.182 4.170 -0.000 0.000 0.321 334 I C 0.742 176.813 176.117 -0.076 0.000 1.249 334 I CA 0.203 61.432 61.300 -0.118 0.000 1.321 334 I CB -0.249 37.728 38.000 -0.039 0.000 1.342 334 I HN -0.012 nan 8.210 nan 0.000 0.463 335 S N 3.084 118.766 115.700 -0.031 0.000 2.642 335 S HA 0.269 4.739 4.470 -0.000 0.000 0.308 335 S C 0.764 175.343 174.600 -0.034 0.000 1.255 335 S CA -0.149 58.039 58.200 -0.020 0.000 1.057 335 S CB 0.157 63.356 63.200 -0.003 0.000 0.785 335 S HN 0.706 nan 8.310 nan 0.000 0.500 336 A N 0.000 122.805 122.820 -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