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 3kfb_1_G DATA FIRST_RESID 11 DATA SEQUENCE NMKRYMGRDA QRMNILAGRI IAETVRSTLG PKGMDKMLVD DLGDVVVTND DATA SEQUENCE GVTILREMSV EHPAAKMLIE VAKTQEKEVG DGTTTAVVVA GELLRKAEEL DATA SEQUENCE LDQNVHPTIV VKGYQAAAQK AQELLKTIAC EVGAQDKEIL TKIAMTSITG DATA SEQUENCE KGAEKAKEKL AEIIVEAVSA VVDDEGKVDK DLIKIEKKSG ASIDDTELIK DATA SEQUENCE GVLVDKERVS AQMPKKVTDA KIALLNCAIE IKETETDAEI RITDPAKLME DATA SEQUENCE FIEQEEKMLK DMVAEIKASG ANVLFCQKGI DDLAQHYLAK EGIVAARRVK DATA SEQUENCE KSDMEKLAKA TGANVITNIK DLSAQDLGDA GLVEERKISG DSMIFVEECK DATA SEQUENCE HPKAVTMLIR GTTEHVIEEV ARAVDDAVGV VGCTIEDGRI VSGGGSTEVE DATA SEQUENCE LSMKLREYAE GISGREQLAV RAFADALEVI PRTLAENAGL DAIEILVKVR DATA SEQUENCE AAHASNGNKc AGLNVFTGAV EDMcENGVVE PLRVKTQAIQ SAAESTEMLL DATA SEQUENCE RIDDVIAAE 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 11 N HA 0.000 nan 4.740 nan 0.000 0.220 11 N C 0.000 175.478 175.510 -0.053 0.000 1.280 11 N CA 0.000 53.025 53.050 -0.042 0.000 0.885 11 N CB 0.000 38.468 38.487 -0.031 0.000 1.341 12 M N 0.772 120.331 119.600 -0.069 0.000 2.817 12 M HA 0.251 4.731 4.480 0.000 0.000 0.228 12 M C -0.282 175.955 176.300 -0.104 0.000 1.644 12 M CA 0.567 55.825 55.300 -0.070 0.000 1.177 12 M CB 0.655 33.221 32.600 -0.056 0.000 1.302 12 M HN 0.228 nan 8.290 nan 0.000 0.565 13 K N 1.180 121.489 120.400 -0.152 0.000 2.507 13 K HA 0.522 4.842 4.320 0.000 0.000 0.252 13 K C -1.048 175.308 176.600 -0.407 0.000 0.943 13 K CA -0.398 55.728 56.287 -0.268 0.000 0.808 13 K CB 2.918 35.263 32.500 -0.259 0.000 1.142 13 K HN 0.012 nan 8.250 nan 0.000 0.426 14 R N 3.056 123.275 120.500 -0.470 0.000 2.538 14 R HA 0.319 4.659 4.340 0.000 0.000 0.292 14 R C -1.557 174.472 176.300 -0.453 0.000 1.008 14 R CA -0.621 55.228 56.100 -0.419 0.000 0.896 14 R CB 0.908 31.097 30.300 -0.185 0.000 1.187 14 R HN 0.458 nan 8.270 nan 0.000 0.440 15 Y N 3.908 124.204 120.300 -0.005 0.000 2.328 15 Y HA 0.410 4.960 4.550 0.000 0.000 0.337 15 Y C 0.299 176.199 175.900 -0.001 0.000 1.008 15 Y CA -0.948 57.151 58.100 -0.000 0.000 1.129 15 Y CB 1.538 40.003 38.460 0.007 0.000 1.185 15 Y HN 0.234 nan 8.280 nan 0.000 0.476 16 M N 2.794 122.475 119.600 0.135 0.000 2.180 16 M HA 0.330 4.810 4.480 0.000 0.000 0.350 16 M C 1.110 177.442 176.300 0.054 0.000 1.125 16 M CA -0.060 55.280 55.300 0.067 0.000 1.031 16 M CB 0.851 33.474 32.600 0.038 0.000 1.623 16 M HN 0.981 nan 8.290 nan 0.000 0.451 17 G N 4.562 113.382 108.800 0.034 0.000 2.774 17 G HA2 -0.413 3.547 3.960 0.000 0.000 0.342 17 G HA3 -0.413 3.547 3.960 0.000 0.000 0.342 17 G C 1.086 175.989 174.900 0.005 0.000 1.185 17 G CA 1.098 46.203 45.100 0.009 0.000 0.956 17 G HN 0.698 nan 8.290 nan 0.000 0.561 18 R N 0.869 121.368 120.500 -0.002 0.000 2.152 18 R HA 0.088 4.429 4.340 0.000 0.000 0.232 18 R C 2.198 178.496 176.300 -0.003 0.000 1.117 18 R CA 1.599 57.693 56.100 -0.010 0.000 0.981 18 R CB -0.274 30.018 30.300 -0.013 0.000 0.870 18 R HN 0.535 nan 8.270 nan 0.000 0.451 19 D N 0.365 120.776 120.400 0.018 0.000 2.137 19 D HA -0.035 4.606 4.640 0.000 0.000 0.202 19 D C 1.839 178.143 176.300 0.006 0.000 0.970 19 D CA 1.472 55.481 54.000 0.015 0.000 0.837 19 D CB -0.249 40.594 40.800 0.071 0.000 0.981 19 D HN 0.226 nan 8.370 nan 0.000 0.475 20 A N 0.768 123.632 122.820 0.073 0.000 1.930 20 A HA -0.197 4.124 4.320 0.000 0.000 0.217 20 A C 2.114 179.720 177.584 0.036 0.000 1.175 20 A CA 1.283 53.375 52.037 0.093 0.000 0.627 20 A CB -0.549 18.529 19.000 0.130 0.000 0.815 20 A HN 0.179 nan 8.150 nan 0.000 0.443 21 Q N -1.131 118.677 119.800 0.013 0.000 2.079 21 Q HA -0.130 4.210 4.340 0.000 0.000 0.200 21 Q C 2.349 178.336 176.000 -0.021 0.000 0.974 21 Q CA 1.549 57.349 55.803 -0.006 0.000 0.840 21 Q CB -0.125 28.601 28.738 -0.020 0.000 0.898 21 Q HN 0.657 nan 8.270 nan 0.000 0.430 22 R N -0.151 120.330 120.500 -0.032 0.000 2.153 22 R HA -0.079 4.261 4.340 0.000 0.000 0.218 22 R C 2.089 178.348 176.300 -0.068 0.000 1.072 22 R CA 0.735 56.807 56.100 -0.047 0.000 0.990 22 R CB 0.038 30.310 30.300 -0.046 0.000 0.889 22 R HN 0.170 nan 8.270 nan 0.000 0.452 23 M N 0.992 120.544 119.600 -0.081 0.000 2.086 23 M HA -0.132 4.348 4.480 0.000 0.000 0.261 23 M C 1.261 177.526 176.300 -0.059 0.000 1.067 23 M CA 1.796 57.037 55.300 -0.098 0.000 1.116 23 M CB -0.223 32.264 32.600 -0.188 0.000 1.348 23 M HN 0.085 nan 8.290 nan 0.000 0.407 24 N N 0.153 118.844 118.700 -0.015 0.000 2.109 24 N HA -0.031 4.709 4.740 0.000 0.000 0.188 24 N C 1.877 177.336 175.510 -0.085 0.000 1.034 24 N CA 1.766 54.800 53.050 -0.026 0.000 0.846 24 N CB -0.608 37.900 38.487 0.034 0.000 1.010 24 N HN 0.413 nan 8.380 nan 0.000 0.425 25 I N 0.946 121.483 120.570 -0.055 0.000 2.248 25 I HA -0.249 3.921 4.170 0.000 0.000 0.248 25 I C 2.244 178.316 176.117 -0.075 0.000 1.107 25 I CA 0.855 62.124 61.300 -0.051 0.000 1.373 25 I CB -0.123 37.856 38.000 -0.035 0.000 1.055 25 I HN 0.115 nan 8.210 nan 0.000 0.418 26 L N 0.337 121.501 121.223 -0.098 0.000 2.072 26 L HA -0.120 4.220 4.340 0.000 0.000 0.205 26 L C 2.709 179.483 176.870 -0.159 0.000 1.079 26 L CA 1.348 56.123 54.840 -0.108 0.000 0.752 26 L CB -0.265 41.733 42.059 -0.102 0.000 0.906 26 L HN 0.188 nan 8.230 nan 0.000 0.436 27 A N -0.403 122.255 122.820 -0.269 0.000 1.972 27 A HA -0.121 4.199 4.320 0.000 0.000 0.219 27 A C 2.216 179.663 177.584 -0.228 0.000 1.169 27 A CA 1.566 53.360 52.037 -0.405 0.000 0.635 27 A CB -1.164 17.233 19.000 -1.005 0.000 0.810 27 A HN 0.531 nan 8.150 nan 0.000 0.446 28 G N -0.921 107.785 108.800 -0.156 0.000 2.396 28 G HA2 -0.132 3.828 3.960 0.000 0.000 0.214 28 G HA3 -0.132 3.828 3.960 0.000 0.000 0.214 28 G C 1.732 176.590 174.900 -0.070 0.000 1.166 28 G CA 0.578 45.625 45.100 -0.088 0.000 0.793 28 G HN 0.513 nan 8.290 nan 0.000 0.533 29 R N -0.448 120.010 120.500 -0.071 0.000 2.148 29 R HA 0.146 4.486 4.340 0.000 0.000 0.227 29 R C 2.319 178.585 176.300 -0.056 0.000 1.103 29 R CA 0.699 56.765 56.100 -0.056 0.000 0.983 29 R CB -0.245 30.024 30.300 -0.051 0.000 0.874 29 R HN 0.388 nan 8.270 nan 0.000 0.451 30 I N 1.011 121.538 120.570 -0.070 0.000 2.584 30 I HA -0.138 4.032 4.170 0.000 0.000 0.255 30 I C 1.995 178.082 176.117 -0.050 0.000 1.145 30 I CA 0.798 62.062 61.300 -0.061 0.000 1.462 30 I CB 0.237 38.195 38.000 -0.070 0.000 1.102 30 I HN 0.118 nan 8.210 nan 0.000 0.433 31 I N -2.032 118.507 120.570 -0.053 0.000 3.226 31 I HA 0.148 4.318 4.170 0.000 0.000 0.277 31 I C 2.226 178.324 176.117 -0.032 0.000 1.243 31 I CA 0.878 62.156 61.300 -0.037 0.000 1.459 31 I CB -0.391 37.590 38.000 -0.031 0.000 1.093 31 I HN -0.023 nan 8.210 nan 0.000 0.453 32 A N 1.411 124.208 122.820 -0.038 0.000 2.016 32 A HA -0.029 4.291 4.320 0.000 0.000 0.217 32 A C 2.122 179.685 177.584 -0.034 0.000 1.162 32 A CA 1.055 53.071 52.037 -0.035 0.000 0.662 32 A CB -0.474 18.502 19.000 -0.039 0.000 0.812 32 A HN 0.561 nan 8.150 nan 0.000 0.450 33 E N -0.807 119.372 120.200 -0.034 0.000 2.435 33 E HA -0.036 4.314 4.350 0.000 0.000 0.195 33 E C 1.400 177.984 176.600 -0.027 0.000 1.029 33 E CA 0.871 57.252 56.400 -0.031 0.000 0.865 33 E CB -0.004 29.677 29.700 -0.032 0.000 0.833 33 E HN 0.536 nan 8.360 nan 0.000 0.510 34 T N 0.333 114.871 114.554 -0.025 0.000 2.985 34 T HA -0.082 4.268 4.350 0.000 0.000 0.266 34 T C 1.930 176.619 174.700 -0.019 0.000 1.076 34 T CA 1.172 63.259 62.100 -0.020 0.000 1.135 34 T CB 0.177 69.034 68.868 -0.018 0.000 0.890 34 T HN 0.175 nan 8.240 nan 0.000 0.480 35 V N -1.120 118.782 119.914 -0.020 0.000 3.621 35 V HA 0.356 4.476 4.120 0.000 0.000 0.285 35 V C 2.003 178.084 176.094 -0.022 0.000 1.346 35 V CA 0.004 62.293 62.300 -0.019 0.000 1.104 35 V CB -0.533 31.280 31.823 -0.017 0.000 0.913 35 V HN 0.162 nan 8.190 nan 0.000 0.432 36 R N 2.195 122.679 120.500 -0.026 0.000 2.105 36 R HA -0.125 4.215 4.340 0.000 0.000 0.239 36 R C 2.433 178.716 176.300 -0.028 0.000 1.135 36 R CA 1.909 57.991 56.100 -0.029 0.000 0.967 36 R CB -0.361 29.920 30.300 -0.031 0.000 0.861 36 R HN 0.790 nan 8.270 nan 0.000 0.442 37 S N -0.739 114.947 115.700 -0.024 0.000 2.607 37 S HA -0.060 4.410 4.470 0.000 0.000 0.224 37 S C 1.676 176.263 174.600 -0.021 0.000 0.969 37 S CA 1.006 59.191 58.200 -0.024 0.000 0.927 37 S CB 0.089 63.277 63.200 -0.021 0.000 0.772 37 S HN 0.411 nan 8.310 nan 0.000 0.533 38 T N -0.802 113.740 114.554 -0.020 0.000 3.065 38 T HA 0.319 4.669 4.350 0.000 0.000 0.252 38 T C 0.452 175.141 174.700 -0.018 0.000 1.099 38 T CA -0.396 61.695 62.100 -0.015 0.000 1.063 38 T CB -0.461 68.400 68.868 -0.011 0.000 0.948 38 T HN 0.385 nan 8.240 nan 0.000 0.506 39 L N 2.205 123.414 121.223 -0.024 0.000 2.361 39 L HA 0.555 4.895 4.340 0.000 0.000 0.278 39 L C 0.714 177.562 176.870 -0.035 0.000 1.113 39 L CA 0.980 55.804 54.840 -0.028 0.000 0.849 39 L CB -0.182 41.858 42.059 -0.032 0.000 1.155 39 L HN 0.698 nan 8.230 nan 0.000 0.452 40 G N 4.135 112.916 108.800 -0.032 0.000 2.541 40 G HA2 -0.151 3.809 3.960 0.000 0.000 0.686 40 G HA3 -0.151 3.809 3.960 0.000 0.000 0.686 40 G C -2.644 172.236 174.900 -0.033 0.000 1.286 40 G CA -0.497 44.576 45.100 -0.046 0.000 0.894 40 G HN 0.438 nan 8.290 nan 0.000 0.575 41 P HA 0.064 nan 4.420 nan 0.000 0.221 41 P C 1.266 178.552 177.300 -0.022 0.000 1.150 41 P CA 1.198 64.300 63.100 0.004 0.000 0.800 41 P CB 0.162 31.866 31.700 0.008 0.000 0.787 42 K N -0.289 120.053 120.400 -0.098 0.000 2.493 42 K HA 0.272 4.592 4.320 0.000 0.000 0.207 42 K C 1.027 177.599 176.600 -0.046 0.000 1.033 42 K CA -0.016 56.226 56.287 -0.076 0.000 1.161 42 K CB 0.287 32.708 32.500 -0.132 0.000 0.873 42 K HN 0.085 nan 8.250 nan 0.000 0.491 43 G N 0.783 109.563 108.800 -0.033 0.000 2.537 43 G HA2 0.403 4.363 3.960 0.000 0.000 0.273 43 G HA3 0.403 4.363 3.960 0.000 0.000 0.273 43 G C -0.001 174.892 174.900 -0.011 0.000 1.189 43 G CA -0.478 44.608 45.100 -0.024 0.000 0.881 43 G HN -0.053 nan 8.290 nan 0.000 0.535 44 M N 0.480 120.073 119.600 -0.011 0.000 2.644 44 M HA 0.346 4.826 4.480 0.000 0.000 0.316 44 M C -0.920 175.376 176.300 -0.006 0.000 1.200 44 M CA -0.759 54.537 55.300 -0.007 0.000 0.944 44 M CB 1.945 34.540 32.600 -0.010 0.000 1.691 44 M HN 0.365 nan 8.290 nan 0.000 0.471 45 D N 1.537 121.935 120.400 -0.004 0.000 2.348 45 D HA 0.440 5.080 4.640 0.000 0.000 0.249 45 D C -0.220 176.074 176.300 -0.009 0.000 1.110 45 D CA -0.161 53.836 54.000 -0.004 0.000 0.967 45 D CB 1.130 41.929 40.800 -0.002 0.000 1.139 45 D HN 0.177 nan 8.370 nan 0.000 0.466 46 K N 0.556 120.950 120.400 -0.010 0.000 2.259 46 K HA 0.462 4.782 4.320 0.000 0.000 0.249 46 K C -0.546 176.043 176.600 -0.019 0.000 0.942 46 K CA -0.775 55.504 56.287 -0.013 0.000 0.816 46 K CB 2.478 34.971 32.500 -0.010 0.000 1.155 46 K HN 0.402 nan 8.250 nan 0.000 0.428 47 M N 3.289 122.875 119.600 -0.024 0.000 2.114 47 M HA 0.293 4.773 4.480 0.000 0.000 0.332 47 M C -1.650 174.633 176.300 -0.028 0.000 1.014 47 M CA -0.867 54.412 55.300 -0.035 0.000 0.956 47 M CB 0.520 33.093 32.600 -0.046 0.000 1.551 47 M HN 0.360 nan 8.290 nan 0.000 0.427 48 L N 6.163 127.371 121.223 -0.025 0.000 2.287 48 L HA 0.622 4.962 4.340 0.000 0.000 0.287 48 L C -0.831 176.030 176.870 -0.014 0.000 1.022 48 L CA -0.374 54.457 54.840 -0.014 0.000 0.814 48 L CB 1.806 43.863 42.059 -0.004 0.000 1.217 48 L HN 0.460 nan 8.230 nan 0.000 0.420 49 V N 1.883 121.790 119.914 -0.011 0.000 2.628 49 V HA 0.593 4.713 4.120 0.000 0.000 0.306 49 V C -0.367 175.728 176.094 0.002 0.000 1.045 49 V CA -0.778 61.518 62.300 -0.006 0.000 0.905 49 V CB 1.846 33.663 31.823 -0.010 0.000 0.997 49 V HN 0.828 nan 8.190 nan 0.000 0.436 50 D N 1.604 122.008 120.400 0.007 0.000 2.589 50 D HA 0.219 4.860 4.640 0.000 0.000 0.268 50 D C 0.566 176.871 176.300 0.008 0.000 1.182 50 D CA -0.169 53.836 54.000 0.009 0.000 1.087 50 D CB 0.315 41.122 40.800 0.012 0.000 1.186 50 D HN 0.518 nan 8.370 nan 0.000 0.620 51 D N -0.960 119.445 120.400 0.009 0.000 2.277 51 D HA -0.049 4.591 4.640 0.000 0.000 0.208 51 D C 1.792 178.097 176.300 0.008 0.000 0.962 51 D CA 0.630 54.635 54.000 0.008 0.000 0.865 51 D CB -0.333 40.471 40.800 0.007 0.000 0.939 51 D HN 0.253 nan 8.370 nan 0.000 0.510 52 L N -0.773 120.457 121.223 0.011 0.000 2.567 52 L HA 0.330 4.670 4.340 0.000 0.000 0.225 52 L C 1.644 178.523 176.870 0.014 0.000 1.119 52 L CA 0.543 55.390 54.840 0.012 0.000 0.871 52 L CB 0.129 42.196 42.059 0.014 0.000 1.036 52 L HN 0.395 nan 8.230 nan 0.000 0.459 53 G N -0.744 108.064 108.800 0.013 0.000 2.176 53 G HA2 -0.218 3.742 3.960 0.000 0.000 0.232 53 G HA3 -0.218 3.742 3.960 0.000 0.000 0.232 53 G C -0.129 174.783 174.900 0.021 0.000 0.986 53 G CA -0.257 44.851 45.100 0.014 0.000 0.643 53 G HN 0.279 nan 8.290 nan 0.000 0.522 54 D N 0.686 121.103 120.400 0.029 0.000 2.371 54 D HA 0.381 5.021 4.640 0.000 0.000 0.256 54 D C 0.382 176.709 176.300 0.045 0.000 1.193 54 D CA 0.266 54.295 54.000 0.049 0.000 0.881 54 D CB 2.011 42.839 40.800 0.047 0.000 1.143 54 D HN 0.338 nan 8.370 nan 0.000 0.473 55 V N 3.509 123.454 119.914 0.053 0.000 2.472 55 V HA 0.484 4.604 4.120 0.000 0.000 0.290 55 V C -0.742 175.362 176.094 0.017 0.000 1.037 55 V CA -0.496 61.794 62.300 -0.017 0.000 0.908 55 V CB 1.933 33.684 31.823 -0.119 0.000 0.985 55 V HN 0.242 nan 8.190 nan 0.000 0.454 56 V N 7.039 126.951 119.914 -0.004 0.000 2.525 56 V HA 0.552 4.672 4.120 0.000 0.000 0.299 56 V C -0.736 175.349 176.094 -0.014 0.000 1.034 56 V CA -0.299 62.024 62.300 0.038 0.000 0.863 56 V CB 2.255 34.130 31.823 0.086 0.000 0.999 56 V HN 0.765 nan 8.190 nan 0.000 0.423 57 V N 6.041 125.937 119.914 -0.029 0.000 2.370 57 V HA 0.737 4.857 4.120 0.000 0.000 0.279 57 V C 0.194 176.294 176.094 0.010 0.000 1.029 57 V CA 0.054 62.338 62.300 -0.027 0.000 0.870 57 V CB 1.460 33.251 31.823 -0.054 0.000 0.984 57 V HN 0.986 nan 8.190 nan 0.000 0.451 58 T N 2.866 117.424 114.554 0.007 0.000 2.853 58 T HA 0.289 4.639 4.350 0.000 0.000 0.311 58 T C 0.219 174.923 174.700 0.007 0.000 1.307 58 T CA -0.510 61.598 62.100 0.013 0.000 1.019 58 T CB 1.958 70.837 68.868 0.018 0.000 1.264 58 T HN 0.606 nan 8.240 nan 0.000 0.497 59 N N 1.327 120.032 118.700 0.009 0.000 2.220 59 N HA 0.067 4.807 4.740 0.000 0.000 0.195 59 N C -0.387 175.125 175.510 0.004 0.000 1.123 59 N CA -0.029 53.024 53.050 0.005 0.000 0.874 59 N CB 0.371 38.863 38.487 0.008 0.000 0.995 59 N HN 0.629 nan 8.380 nan 0.000 0.498 60 D N -0.225 120.179 120.400 0.006 0.000 2.401 60 D HA 0.165 4.805 4.640 0.000 0.000 0.254 60 D C 1.350 177.652 176.300 0.002 0.000 1.192 60 D CA 0.149 54.152 54.000 0.005 0.000 0.885 60 D CB 1.117 41.921 40.800 0.008 0.000 1.147 60 D HN 0.269 nan 8.370 nan 0.000 0.478 61 G N 2.651 111.450 108.800 -0.001 0.000 2.453 61 G HA2 -0.236 3.724 3.960 0.000 0.000 0.215 61 G HA3 -0.236 3.724 3.960 0.000 0.000 0.215 61 G C 1.578 176.477 174.900 -0.002 0.000 1.201 61 G CA 0.679 45.777 45.100 -0.004 0.000 0.784 61 G HN 0.494 nan 8.290 nan 0.000 0.545 62 V N 1.864 121.778 119.914 -0.000 0.000 2.324 62 V HA -0.227 3.893 4.120 0.000 0.000 0.250 62 V C 3.275 179.371 176.094 0.003 0.000 1.060 62 V CA 3.440 65.741 62.300 0.001 0.000 1.042 62 V CB -0.895 30.929 31.823 0.002 0.000 0.650 62 V HN 0.642 nan 8.190 nan 0.000 0.450 63 T N -2.083 112.474 114.554 0.005 0.000 2.962 63 T HA -0.093 4.257 4.350 0.000 0.000 0.270 63 T C 1.765 176.470 174.700 0.007 0.000 1.088 63 T CA 1.754 63.858 62.100 0.008 0.000 1.127 63 T CB -0.499 68.375 68.868 0.011 0.000 0.883 63 T HN 0.524 nan 8.240 nan 0.000 0.493 64 I N 0.757 121.330 120.570 0.005 0.000 2.193 64 I HA -0.038 4.132 4.170 0.000 0.000 0.240 64 I C 2.499 178.617 176.117 0.003 0.000 1.084 64 I CA 1.145 62.447 61.300 0.003 0.000 1.365 64 I CB -0.347 37.652 38.000 -0.001 0.000 1.064 64 I HN 0.183 nan 8.210 nan 0.000 0.410 65 L N 0.103 121.327 121.223 0.002 0.000 2.083 65 L HA -0.178 4.162 4.340 0.000 0.000 0.209 65 L C 2.761 179.634 176.870 0.006 0.000 1.083 65 L CA 1.298 56.140 54.840 0.002 0.000 0.752 65 L CB -0.586 41.473 42.059 0.001 0.000 0.899 65 L HN 0.162 nan 8.230 nan 0.000 0.433 66 R N 0.307 120.811 120.500 0.007 0.000 2.066 66 R HA -0.094 4.246 4.340 0.000 0.000 0.232 66 R C 0.870 177.176 176.300 0.009 0.000 1.131 66 R CA 1.098 57.203 56.100 0.008 0.000 0.955 66 R CB -0.039 30.265 30.300 0.008 0.000 0.851 66 R HN 0.397 nan 8.270 nan 0.000 0.432 67 E N 0.970 121.176 120.200 0.009 0.000 2.411 67 E HA 0.109 4.459 4.350 0.000 0.000 0.228 67 E C -0.295 176.311 176.600 0.010 0.000 1.169 67 E CA -0.196 56.210 56.400 0.011 0.000 1.421 67 E CB 0.382 30.090 29.700 0.013 0.000 1.333 67 E HN 0.258 nan 8.360 nan 0.000 0.434 68 M N -2.305 117.300 119.600 0.009 0.000 2.446 68 M HA 0.478 4.958 4.480 0.000 0.000 0.294 68 M C -0.805 175.502 176.300 0.011 0.000 1.158 68 M CA -0.788 54.517 55.300 0.009 0.000 0.899 68 M CB 2.158 34.762 32.600 0.006 0.000 1.687 68 M HN -0.329 nan 8.290 nan 0.000 0.455 69 S N 2.521 118.228 115.700 0.012 0.000 2.686 69 S HA 0.340 4.810 4.470 0.000 0.000 0.324 69 S C -0.280 174.332 174.600 0.020 0.000 1.172 69 S CA -0.519 57.690 58.200 0.015 0.000 1.127 69 S CB -0.596 62.612 63.200 0.013 0.000 1.338 69 S HN 0.454 nan 8.310 nan 0.000 0.547 70 V N 4.017 123.945 119.914 0.024 0.000 2.394 70 V HA 0.325 4.445 4.120 0.000 0.000 0.282 70 V C 0.787 176.908 176.094 0.044 0.000 1.031 70 V CA -0.416 61.904 62.300 0.035 0.000 0.881 70 V CB 1.599 33.441 31.823 0.032 0.000 0.982 70 V HN 0.667 nan 8.190 nan 0.000 0.451 71 E N 1.050 121.286 120.200 0.060 0.000 2.434 71 E HA 0.079 4.429 4.350 0.000 0.000 0.207 71 E C 0.549 177.193 176.600 0.072 0.000 0.929 71 E CA -0.059 56.372 56.400 0.052 0.000 1.001 71 E CB 0.241 29.961 29.700 0.032 0.000 1.016 71 E HN 0.692 nan 8.360 nan 0.000 0.502 72 H N 3.898 122.976 119.070 0.013 0.000 3.026 72 H HA 0.036 4.592 4.556 0.000 0.000 0.289 72 H C -1.532 173.807 175.328 0.017 0.000 1.022 72 H CA -1.612 54.446 56.048 0.016 0.000 1.477 72 H CB 1.183 30.948 29.762 0.005 0.000 1.510 72 H HN -0.136 nan 8.280 nan 0.000 0.535 73 P HA -0.211 nan 4.420 nan 0.000 0.217 73 P C 1.117 178.536 177.300 0.199 0.000 1.151 73 P CA 1.923 65.103 63.100 0.132 0.000 0.849 73 P CB 0.113 31.845 31.700 0.054 0.000 0.787 74 A N 0.074 123.108 122.820 0.356 0.000 1.929 74 A HA 0.039 4.359 4.320 0.000 0.000 0.216 74 A C 2.472 180.088 177.584 0.054 0.000 1.176 74 A CA 1.883 54.012 52.037 0.154 0.000 0.628 74 A CB -1.377 17.676 19.000 0.088 0.000 0.816 74 A HN 0.234 nan 8.150 nan 0.000 0.444 75 A N 0.088 122.932 122.820 0.039 0.000 1.873 75 A HA -0.134 4.186 4.320 0.000 0.000 0.215 75 A C 2.052 179.656 177.584 0.034 0.000 1.186 75 A CA 1.745 53.784 52.037 0.003 0.000 0.616 75 A CB -0.460 18.535 19.000 -0.010 0.000 0.823 75 A HN 0.508 nan 8.150 nan 0.000 0.442 76 K N -0.964 119.474 120.400 0.062 0.000 2.160 76 K HA -0.114 4.206 4.320 0.000 0.000 0.206 76 K C 1.848 178.469 176.600 0.036 0.000 1.047 76 K CA 1.811 58.126 56.287 0.046 0.000 0.930 76 K CB -0.255 32.276 32.500 0.051 0.000 0.720 76 K HN 0.512 nan 8.250 nan 0.000 0.450 77 M N -0.335 119.289 119.600 0.040 0.000 2.506 77 M HA -0.036 4.444 4.480 0.000 0.000 0.260 77 M C 1.520 177.835 176.300 0.024 0.000 1.104 77 M CA 0.581 55.901 55.300 0.034 0.000 1.112 77 M CB 0.285 32.910 32.600 0.041 0.000 1.401 77 M HN 0.075 nan 8.290 nan 0.000 0.473 78 L N -0.258 120.975 121.223 0.017 0.000 2.477 78 L HA 0.129 4.469 4.340 0.000 0.000 0.220 78 L C 1.784 178.657 176.870 0.005 0.000 1.106 78 L CA 0.860 55.705 54.840 0.008 0.000 0.851 78 L CB -0.013 42.043 42.059 -0.004 0.000 0.994 78 L HN 0.180 nan 8.230 nan 0.000 0.462 79 I N -0.770 119.805 120.570 0.008 0.000 2.394 79 I HA -0.189 3.981 4.170 0.000 0.000 0.251 79 I C 1.994 178.117 176.117 0.009 0.000 1.136 79 I CA 0.638 61.942 61.300 0.007 0.000 1.425 79 I CB -0.238 37.769 38.000 0.011 0.000 1.079 79 I HN 0.250 nan 8.210 nan 0.000 0.425 80 E N 0.564 120.772 120.200 0.013 0.000 2.209 80 E HA -0.177 4.173 4.350 0.000 0.000 0.196 80 E C 2.377 178.984 176.600 0.011 0.000 0.993 80 E CA 1.158 57.566 56.400 0.013 0.000 0.819 80 E CB -0.208 29.502 29.700 0.017 0.000 0.745 80 E HN 0.381 nan 8.360 nan 0.000 0.477 81 V N 1.206 121.126 119.914 0.010 0.000 2.427 81 V HA -0.202 3.918 4.120 0.000 0.000 0.248 81 V C 2.358 178.454 176.094 0.004 0.000 1.051 81 V CA 1.763 64.067 62.300 0.008 0.000 1.048 81 V CB -0.596 31.230 31.823 0.005 0.000 0.666 81 V HN 0.257 nan 8.190 nan 0.000 0.456 82 A N -0.616 122.205 122.820 0.002 0.000 1.935 82 A HA -0.113 4.207 4.320 0.000 0.000 0.214 82 A C 2.307 179.892 177.584 0.003 0.000 1.178 82 A CA 1.460 53.497 52.037 0.000 0.000 0.640 82 A CB -0.350 18.649 19.000 -0.002 0.000 0.825 82 A HN 0.450 nan 8.150 nan 0.000 0.447 83 K N -0.116 120.287 120.400 0.005 0.000 2.097 83 K HA -0.135 4.185 4.320 0.000 0.000 0.206 83 K C 1.748 178.352 176.600 0.005 0.000 1.049 83 K CA 1.792 58.082 56.287 0.005 0.000 0.933 83 K CB -0.162 32.343 32.500 0.007 0.000 0.717 83 K HN 0.602 nan 8.250 nan 0.000 0.442 84 T N -2.179 112.379 114.554 0.006 0.000 3.144 84 T HA 0.027 4.377 4.350 0.000 0.000 0.249 84 T C 1.429 176.132 174.700 0.005 0.000 1.089 84 T CA 0.080 62.184 62.100 0.006 0.000 0.989 84 T CB 0.516 69.389 68.868 0.009 0.000 0.992 84 T HN 0.151 nan 8.240 nan 0.000 0.540 85 Q N 1.998 121.800 119.800 0.004 0.000 2.204 85 Q HA 0.028 4.368 4.340 0.000 0.000 0.198 85 Q C 2.195 178.196 176.000 0.002 0.000 0.946 85 Q CA 1.458 57.262 55.803 0.002 0.000 0.859 85 Q CB -0.105 28.633 28.738 0.001 0.000 0.946 85 Q HN 0.821 nan 8.270 nan 0.000 0.474 86 E N -0.306 119.895 120.200 0.002 0.000 2.150 86 E HA -0.228 4.122 4.350 0.000 0.000 0.193 86 E C 1.750 178.350 176.600 0.001 0.000 0.985 86 E CA 1.205 57.605 56.400 0.001 0.000 0.814 86 E CB -0.159 29.541 29.700 0.001 0.000 0.752 86 E HN 0.066 nan 8.360 nan 0.000 0.466 87 K N 0.639 121.040 120.400 0.002 0.000 2.097 87 K HA -0.102 4.218 4.320 0.000 0.000 0.205 87 K C 1.854 178.455 176.600 0.001 0.000 1.050 87 K CA 1.466 57.754 56.287 0.002 0.000 0.938 87 K CB 0.251 32.753 32.500 0.003 0.000 0.718 87 K HN 0.118 nan 8.250 nan 0.000 0.442 88 E N -1.139 119.062 120.200 0.002 0.000 2.340 88 E HA 0.060 4.410 4.350 0.000 0.000 0.198 88 E C 1.450 178.051 176.600 0.001 0.000 0.961 88 E CA 0.532 56.933 56.400 0.002 0.000 0.905 88 E CB 0.812 30.514 29.700 0.003 0.000 0.884 88 E HN 0.111 nan 8.360 nan 0.000 0.491 89 V N -1.458 118.457 119.914 0.001 0.000 3.029 89 V HA 0.328 4.449 4.120 0.000 0.000 0.230 89 V C 1.537 177.631 176.094 0.000 0.000 1.254 89 V CA 0.879 63.180 62.300 0.001 0.000 1.276 89 V CB 0.847 32.671 31.823 0.001 0.000 1.080 89 V HN 0.320 nan 8.190 nan 0.000 0.495 90 G N 0.469 109.269 108.800 0.000 0.000 2.376 90 G HA2 -0.179 3.781 3.960 0.000 0.000 0.208 90 G HA3 -0.179 3.781 3.960 0.000 0.000 0.208 90 G C -0.143 174.758 174.900 0.001 0.000 1.032 90 G CA 0.301 45.401 45.100 0.000 0.000 0.641 90 G HN 0.573 nan 8.290 nan 0.000 0.503 91 D N -0.883 119.517 120.400 0.001 0.000 2.490 91 D HA 0.600 5.240 4.640 0.000 0.000 0.232 91 D C 0.884 177.184 176.300 0.000 0.000 1.053 91 D CA 0.790 54.791 54.000 0.002 0.000 0.914 91 D CB 1.125 41.927 40.800 0.003 0.000 1.431 91 D HN 1.443 nan 8.370 nan 0.000 0.483 92 G N 0.793 109.592 108.800 -0.001 0.000 2.131 92 G HA2 -0.276 3.684 3.960 0.000 0.000 0.223 92 G HA3 -0.276 3.684 3.960 0.000 0.000 0.223 92 G C 0.936 175.832 174.900 -0.007 0.000 0.990 92 G CA 0.966 46.063 45.100 -0.005 0.000 0.671 92 G HN 0.726 nan 8.290 nan 0.000 0.521 93 T N -3.113 111.438 114.554 -0.005 0.000 2.857 93 T HA -0.027 4.323 4.350 0.000 0.000 0.266 93 T C 2.236 176.930 174.700 -0.010 0.000 1.048 93 T CA 2.417 64.514 62.100 -0.006 0.000 1.139 93 T CB -0.394 68.472 68.868 -0.003 0.000 0.874 93 T HN 0.265 nan 8.240 nan 0.000 0.455 94 T N 2.671 117.218 114.554 -0.011 0.000 2.812 94 T HA -0.077 4.273 4.350 0.000 0.000 0.264 94 T C 2.457 177.144 174.700 -0.023 0.000 1.042 94 T CA 1.842 63.933 62.100 -0.016 0.000 1.140 94 T CB -0.886 67.972 68.868 -0.016 0.000 0.870 94 T HN 0.791 nan 8.240 nan 0.000 0.445 95 T N 1.178 115.719 114.554 -0.023 0.000 2.833 95 T HA 0.016 4.366 4.350 0.000 0.000 0.269 95 T C 2.239 176.918 174.700 -0.036 0.000 1.054 95 T CA 1.049 63.131 62.100 -0.031 0.000 1.135 95 T CB -0.527 68.325 68.868 -0.027 0.000 0.869 95 T HN 0.340 nan 8.240 nan 0.000 0.466 96 A N 0.884 123.688 122.820 -0.027 0.000 1.929 96 A HA 0.180 4.500 4.320 0.000 0.000 0.216 96 A C 2.577 180.142 177.584 -0.032 0.000 1.176 96 A CA 1.220 53.241 52.037 -0.027 0.000 0.628 96 A CB -0.796 18.196 19.000 -0.014 0.000 0.816 96 A HN 0.419 nan 8.150 nan 0.000 0.444 97 V N -0.578 119.319 119.914 -0.028 0.000 2.407 97 V HA -0.157 3.963 4.120 0.000 0.000 0.245 97 V C 2.518 178.588 176.094 -0.040 0.000 1.041 97 V CA 1.688 63.971 62.300 -0.029 0.000 1.040 97 V CB -0.517 31.293 31.823 -0.022 0.000 0.671 97 V HN 0.339 nan 8.190 nan 0.000 0.455 98 V N -0.255 119.633 119.914 -0.044 0.000 2.490 98 V HA -0.197 3.923 4.120 0.000 0.000 0.250 98 V C 2.383 178.434 176.094 -0.072 0.000 1.061 98 V CA 1.699 63.967 62.300 -0.052 0.000 1.064 98 V CB -0.252 31.541 31.823 -0.049 0.000 0.670 98 V HN 0.402 nan 8.190 nan 0.000 0.461 99 V N 0.107 119.970 119.914 -0.084 0.000 2.323 99 V HA -0.180 3.940 4.120 0.000 0.000 0.244 99 V C 2.703 178.714 176.094 -0.139 0.000 1.041 99 V CA 1.788 64.010 62.300 -0.129 0.000 1.025 99 V CB -0.957 30.782 31.823 -0.140 0.000 0.656 99 V HN 0.545 nan 8.190 nan 0.000 0.451 100 A N 0.550 123.315 122.820 -0.093 0.000 1.948 100 A HA -0.167 4.153 4.320 0.000 0.000 0.220 100 A C 2.389 179.944 177.584 -0.048 0.000 1.177 100 A CA 2.155 54.154 52.037 -0.063 0.000 0.636 100 A CB -1.240 17.742 19.000 -0.030 0.000 0.815 100 A HN 0.543 nan 8.150 nan 0.000 0.449 101 G N -0.726 108.043 108.800 -0.051 0.000 2.421 101 G HA2 -0.231 3.729 3.960 0.000 0.000 0.216 101 G HA3 -0.231 3.729 3.960 0.000 0.000 0.216 101 G C 1.459 176.331 174.900 -0.047 0.000 1.171 101 G CA 1.242 46.315 45.100 -0.044 0.000 0.775 101 G HN 0.579 nan 8.290 nan 0.000 0.543 102 E N -0.035 120.122 120.200 -0.070 0.000 2.274 102 E HA 0.100 4.450 4.350 0.000 0.000 0.194 102 E C 2.426 178.979 176.600 -0.078 0.000 0.996 102 E CA 0.212 56.567 56.400 -0.075 0.000 0.840 102 E CB -0.239 29.403 29.700 -0.096 0.000 0.772 102 E HN 0.454 nan 8.360 nan 0.000 0.491 103 L N -0.240 120.921 121.223 -0.103 0.000 2.156 103 L HA -0.083 4.257 4.340 0.000 0.000 0.208 103 L C 2.129 179.080 176.870 0.136 0.000 1.095 103 L CA 0.608 55.415 54.840 -0.054 0.000 0.770 103 L CB -0.210 41.760 42.059 -0.150 0.000 0.914 103 L HN 0.237 nan 8.230 nan 0.000 0.439 104 L N -0.675 120.586 121.223 0.064 0.000 2.072 104 L HA -0.162 4.178 4.340 0.000 0.000 0.205 104 L C 2.808 179.698 176.870 0.033 0.000 1.079 104 L CA 0.977 55.851 54.840 0.057 0.000 0.752 104 L CB -0.428 41.641 42.059 0.017 0.000 0.906 104 L HN 0.227 nan 8.230 nan 0.000 0.436 105 R N 0.423 120.931 120.500 0.013 0.000 2.073 105 R HA -0.155 4.185 4.340 0.000 0.000 0.234 105 R C 2.079 178.392 176.300 0.022 0.000 1.134 105 R CA 1.257 57.359 56.100 0.003 0.000 0.952 105 R CB 0.064 30.357 30.300 -0.012 0.000 0.850 105 R HN 0.121 nan 8.270 nan 0.000 0.433 106 K N -0.064 120.364 120.400 0.047 0.000 2.439 106 K HA -0.001 4.319 4.320 0.000 0.000 0.197 106 K C 1.626 178.290 176.600 0.106 0.000 1.041 106 K CA 0.899 57.231 56.287 0.075 0.000 0.970 106 K CB 0.262 32.814 32.500 0.087 0.000 0.773 106 K HN 0.278 nan 8.250 nan 0.000 0.479 107 A N 1.680 124.560 122.820 0.099 0.000 1.935 107 A HA -0.128 4.192 4.320 0.000 0.000 0.214 107 A C 1.985 179.561 177.584 -0.014 0.000 1.178 107 A CA 0.983 53.035 52.037 0.025 0.000 0.640 107 A CB -0.177 18.823 19.000 -0.001 0.000 0.825 107 A HN 0.450 nan 8.150 nan 0.000 0.447 108 E N 0.293 120.491 120.200 -0.003 0.000 2.347 108 E HA -0.136 4.215 4.350 0.000 0.000 0.196 108 E C 1.306 177.900 176.600 -0.010 0.000 1.008 108 E CA 1.031 57.422 56.400 -0.015 0.000 0.852 108 E CB -0.320 29.370 29.700 -0.017 0.000 0.783 108 E HN 0.699 nan 8.360 nan 0.000 0.505 109 E N 0.771 120.972 120.200 0.002 0.000 2.268 109 E HA -0.072 4.278 4.350 0.000 0.000 0.195 109 E C 1.928 178.530 176.600 0.004 0.000 0.995 109 E CA 0.739 57.142 56.400 0.005 0.000 0.836 109 E CB 0.034 29.742 29.700 0.014 0.000 0.763 109 E HN 0.396 nan 8.360 nan 0.000 0.491 110 L N 0.033 121.256 121.223 0.000 0.000 2.298 110 L HA -0.003 4.338 4.340 0.000 0.000 0.209 110 L C 2.148 179.007 176.870 -0.018 0.000 1.084 110 L CA 0.322 55.159 54.840 -0.005 0.000 0.816 110 L CB -0.043 42.008 42.059 -0.013 0.000 0.967 110 L HN 0.126 nan 8.230 nan 0.000 0.460 111 L N -0.363 120.843 121.223 -0.029 0.000 2.217 111 L HA -0.128 4.212 4.340 0.000 0.000 0.211 111 L C 1.459 178.311 176.870 -0.030 0.000 1.107 111 L CA 0.843 55.659 54.840 -0.039 0.000 0.783 111 L CB -0.321 41.709 42.059 -0.049 0.000 0.919 111 L HN 0.199 nan 8.230 nan 0.000 0.442 112 D N -0.608 119.779 120.400 -0.021 0.000 2.347 112 D HA -0.093 4.547 4.640 0.000 0.000 0.213 112 D C 1.562 177.855 176.300 -0.011 0.000 0.985 112 D CA 0.644 54.635 54.000 -0.016 0.000 0.879 112 D CB 0.180 40.972 40.800 -0.013 0.000 0.919 112 D HN 0.296 nan 8.370 nan 0.000 0.526 113 Q N 0.074 119.869 119.800 -0.008 0.000 2.222 113 Q HA 0.169 4.509 4.340 0.000 0.000 0.206 113 Q C -0.149 175.849 176.000 -0.002 0.000 0.877 113 Q CA -0.133 55.668 55.803 -0.003 0.000 0.958 113 Q CB 0.412 29.151 28.738 0.002 0.000 1.075 113 Q HN 0.126 nan 8.270 nan 0.000 0.483 114 N N -0.784 117.911 118.700 -0.009 0.000 2.850 114 N HA -0.138 4.602 4.740 0.000 0.000 0.249 114 N C -0.687 174.825 175.510 0.004 0.000 1.060 114 N CA 0.495 53.540 53.050 -0.008 0.000 0.825 114 N CB -1.474 37.013 38.487 -0.000 0.000 1.132 114 N HN 0.053 nan 8.380 nan 0.000 0.564 115 V N 2.524 122.440 119.914 0.003 0.000 2.446 115 V HA -0.007 4.113 4.120 0.000 0.000 0.276 115 V C 1.265 177.378 176.094 0.032 0.000 1.030 115 V CA -0.169 62.145 62.300 0.022 0.000 1.033 115 V CB 0.563 32.391 31.823 0.008 0.000 0.993 115 V HN 0.229 nan 8.190 nan 0.000 0.477 116 H N 8.397 127.452 119.070 -0.025 0.000 3.064 116 H HA 0.001 4.557 4.556 0.000 0.000 0.329 116 H C -1.602 173.702 175.328 -0.040 0.000 1.020 116 H CA -1.015 55.017 56.048 -0.026 0.000 1.402 116 H CB 1.505 31.255 29.762 -0.019 0.000 1.379 116 H HN 0.396 nan 8.280 nan 0.000 0.594 117 P HA -0.143 nan 4.420 nan 0.000 0.219 117 P C 1.428 178.786 177.300 0.098 0.000 1.146 117 P CA 2.148 65.254 63.100 0.011 0.000 0.808 117 P CB 0.093 31.760 31.700 -0.054 0.000 0.779 118 T N -3.618 111.111 114.554 0.292 0.000 2.951 118 T HA -0.060 4.290 4.350 0.000 0.000 0.268 118 T C 1.693 176.418 174.700 0.042 0.000 1.073 118 T CA 0.783 62.959 62.100 0.126 0.000 1.134 118 T CB -0.827 68.075 68.868 0.056 0.000 0.884 118 T HN -0.097 nan 8.240 nan 0.000 0.479 119 I N 1.249 121.849 120.570 0.049 0.000 2.439 119 I HA 0.011 4.181 4.170 0.000 0.000 0.251 119 I C 2.629 178.739 176.117 -0.011 0.000 1.139 119 I CA 0.363 61.670 61.300 0.011 0.000 1.438 119 I CB -1.209 36.803 38.000 0.020 0.000 1.085 119 I HN 0.180 nan 8.210 nan 0.000 0.427 120 V N 0.384 120.268 119.914 -0.050 0.000 2.270 120 V HA -0.196 3.924 4.120 0.000 0.000 0.245 120 V C 2.591 178.552 176.094 -0.223 0.000 1.043 120 V CA 1.450 63.640 62.300 -0.183 0.000 1.014 120 V CB -0.531 31.133 31.823 -0.265 0.000 0.645 120 V HN 0.259 nan 8.190 nan 0.000 0.447 121 V N -0.218 119.621 119.914 -0.125 0.000 2.626 121 V HA -0.243 3.877 4.120 0.000 0.000 0.252 121 V C 2.430 178.555 176.094 0.052 0.000 1.067 121 V CA 2.434 64.719 62.300 -0.026 0.000 1.081 121 V CB -0.363 31.465 31.823 0.008 0.000 0.686 121 V HN 0.589 nan 8.190 nan 0.000 0.468 122 K N -0.319 120.099 120.400 0.030 0.000 2.031 122 K HA -0.053 4.267 4.320 0.000 0.000 0.205 122 K C 2.079 178.717 176.600 0.065 0.000 1.049 122 K CA 1.489 57.799 56.287 0.039 0.000 0.939 122 K CB -0.639 31.872 32.500 0.017 0.000 0.717 122 K HN 0.524 nan 8.250 nan 0.000 0.438 123 G N -0.416 108.433 108.800 0.081 0.000 2.422 123 G HA2 -0.227 3.733 3.960 0.000 0.000 0.218 123 G HA3 -0.227 3.733 3.960 0.000 0.000 0.218 123 G C 1.307 176.334 174.900 0.212 0.000 1.140 123 G CA 0.599 45.774 45.100 0.126 0.000 0.775 123 G HN 0.371 nan 8.290 nan 0.000 0.545 124 Y N -0.040 120.280 120.300 0.033 0.000 2.242 124 Y HA -0.126 4.424 4.550 0.000 0.000 0.291 124 Y C 3.100 178.927 175.900 -0.123 0.000 1.137 124 Y CA 1.215 59.346 58.100 0.052 0.000 1.181 124 Y CB 0.191 38.766 38.460 0.191 0.000 0.989 124 Y HN 0.255 nan 8.280 nan 0.000 0.527 125 Q N -0.065 119.796 119.800 0.101 0.000 2.163 125 Q HA -0.100 4.240 4.340 0.000 0.000 0.198 125 Q C 2.316 178.278 176.000 -0.063 0.000 0.954 125 Q CA 0.837 56.645 55.803 0.007 0.000 0.851 125 Q CB -0.021 28.744 28.738 0.044 0.000 0.928 125 Q HN 0.444 nan 8.270 nan 0.000 0.459 126 A N 0.569 123.375 122.820 -0.023 0.000 1.969 126 A HA -0.044 4.276 4.320 0.000 0.000 0.218 126 A C 2.128 179.681 177.584 -0.051 0.000 1.169 126 A CA 1.479 53.520 52.037 0.006 0.000 0.635 126 A CB -0.521 18.524 19.000 0.074 0.000 0.810 126 A HN 0.488 nan 8.150 nan 0.000 0.445 127 A N -0.504 122.193 122.820 -0.206 0.000 1.930 127 A HA 0.372 4.692 4.320 0.000 0.000 0.215 127 A C 2.352 179.531 177.584 -0.676 0.000 1.176 127 A CA 1.443 53.223 52.037 -0.428 0.000 0.632 127 A CB -0.669 17.961 19.000 -0.617 0.000 0.819 127 A HN 0.922 nan 8.150 nan 0.000 0.445 128 A N -0.969 121.420 122.820 -0.718 0.000 2.067 128 A HA -0.036 4.284 4.320 0.000 0.000 0.217 128 A C 2.039 179.498 177.584 -0.209 0.000 1.156 128 A CA 1.444 53.217 52.037 -0.441 0.000 0.683 128 A CB -0.344 18.529 19.000 -0.212 0.000 0.808 128 A HN 0.590 nan 8.150 nan 0.000 0.455 129 Q N -0.334 119.352 119.800 -0.190 0.000 2.016 129 Q HA -0.195 4.145 4.340 0.000 0.000 0.200 129 Q C 2.096 177.992 176.000 -0.173 0.000 0.978 129 Q CA 1.961 57.685 55.803 -0.132 0.000 0.833 129 Q CB -0.113 28.567 28.738 -0.096 0.000 0.895 129 Q HN 0.447 nan 8.270 nan 0.000 0.427 130 K N 0.109 120.346 120.400 -0.271 0.000 2.147 130 K HA -0.091 4.230 4.320 0.000 0.000 0.205 130 K C 1.601 178.042 176.600 -0.264 0.000 1.049 130 K CA 1.367 57.421 56.287 -0.387 0.000 0.936 130 K CB -0.384 31.616 32.500 -0.833 0.000 0.722 130 K HN 0.278 nan 8.250 nan 0.000 0.446 131 A N 0.213 122.909 122.820 -0.207 0.000 1.969 131 A HA -0.130 4.190 4.320 0.000 0.000 0.218 131 A C 1.974 179.520 177.584 -0.064 0.000 1.169 131 A CA 1.161 53.138 52.037 -0.100 0.000 0.635 131 A CB -0.365 18.622 19.000 -0.022 0.000 0.810 131 A HN 0.320 nan 8.150 nan 0.000 0.445 132 Q N 0.010 119.766 119.800 -0.073 0.000 2.083 132 Q HA -0.168 4.172 4.340 0.000 0.000 0.198 132 Q C 1.906 177.875 176.000 -0.052 0.000 0.969 132 Q CA 1.677 57.451 55.803 -0.047 0.000 0.838 132 Q CB -0.327 28.385 28.738 -0.043 0.000 0.900 132 Q HN 0.999 nan 8.270 nan 0.000 0.436 133 E N -0.120 120.035 120.200 -0.076 0.000 2.435 133 E HA -0.025 4.325 4.350 0.000 0.000 0.195 133 E C 1.865 178.426 176.600 -0.066 0.000 1.029 133 E CA 0.143 56.503 56.400 -0.067 0.000 0.865 133 E CB -0.096 29.558 29.700 -0.077 0.000 0.833 133 E HN 0.238 nan 8.360 nan 0.000 0.510 134 L N 0.517 121.693 121.223 -0.079 0.000 2.270 134 L HA 0.031 4.371 4.340 0.000 0.000 0.210 134 L C 2.348 179.201 176.870 -0.030 0.000 1.104 134 L CA 0.379 55.184 54.840 -0.059 0.000 0.804 134 L CB -0.036 41.980 42.059 -0.072 0.000 0.937 134 L HN 0.163 nan 8.230 nan 0.000 0.450 135 L N -0.536 120.671 121.223 -0.026 0.000 2.217 135 L HA -0.144 4.196 4.340 0.000 0.000 0.211 135 L C 2.379 179.243 176.870 -0.009 0.000 1.107 135 L CA 0.976 55.810 54.840 -0.010 0.000 0.783 135 L CB -0.204 41.852 42.059 -0.006 0.000 0.919 135 L HN 0.187 nan 8.230 nan 0.000 0.442 136 K N -0.495 119.896 120.400 -0.016 0.000 2.103 136 K HA -0.121 4.199 4.320 0.000 0.000 0.204 136 K C 2.118 178.712 176.600 -0.010 0.000 1.052 136 K CA 1.814 58.094 56.287 -0.013 0.000 0.945 136 K CB -0.168 32.322 32.500 -0.016 0.000 0.722 136 K HN 0.418 nan 8.250 nan 0.000 0.443 137 T N -0.150 114.396 114.554 -0.012 0.000 2.942 137 T HA -0.047 4.303 4.350 0.000 0.000 0.265 137 T C 1.839 176.537 174.700 -0.004 0.000 1.062 137 T CA 0.772 62.866 62.100 -0.009 0.000 1.139 137 T CB -0.433 68.429 68.868 -0.011 0.000 0.883 137 T HN 0.371 nan 8.240 nan 0.000 0.468 138 I N -0.526 120.043 120.570 -0.001 0.000 3.793 138 I HA 0.589 4.759 4.170 0.000 0.000 0.315 138 I C 0.862 176.982 176.117 0.005 0.000 1.275 138 I CA -0.879 60.424 61.300 0.005 0.000 1.214 138 I CB -0.351 37.657 38.000 0.014 0.000 1.018 138 I HN 0.144 nan 8.210 nan 0.000 0.439 139 A N 1.293 124.114 122.820 0.002 0.000 2.309 139 A HA 0.459 4.779 4.320 0.000 0.000 0.290 139 A C 0.209 177.794 177.584 0.001 0.000 1.206 139 A CA -0.398 51.641 52.037 0.003 0.000 0.850 139 A CB -0.069 18.932 19.000 0.001 0.000 1.118 139 A HN 0.516 nan 8.150 nan 0.000 0.523 140 C N 2.546 121.847 119.300 0.002 0.000 2.644 140 C HA 0.268 4.728 4.460 0.000 0.000 0.417 140 C C 0.646 175.637 174.990 0.001 0.000 1.304 140 C CA -0.532 58.487 59.018 0.001 0.000 2.035 140 C CB -0.423 27.318 27.740 0.001 0.000 2.673 140 C HN 0.750 nan 8.230 nan 0.000 0.602 141 E N 1.596 121.796 120.200 -0.000 0.000 2.229 141 E HA 0.473 4.823 4.350 0.000 0.000 0.283 141 E C -0.719 175.881 176.600 0.001 0.000 1.030 141 E CA -0.015 56.386 56.400 0.000 0.000 0.836 141 E CB 1.513 31.212 29.700 -0.001 0.000 1.068 141 E HN 0.437 nan 8.360 nan 0.000 0.401 142 V N 1.586 121.501 119.914 0.001 0.000 2.709 142 V HA 0.434 4.554 4.120 0.000 0.000 0.308 142 V C 0.441 176.536 176.094 0.001 0.000 1.062 142 V CA -1.015 61.285 62.300 0.001 0.000 0.901 142 V CB 2.291 34.116 31.823 0.002 0.000 1.003 142 V HN 0.769 nan 8.190 nan 0.000 0.425 143 G N 2.187 110.988 108.800 0.002 0.000 2.406 143 G HA2 0.428 4.388 3.960 0.000 0.000 0.251 143 G HA3 0.428 4.388 3.960 0.000 0.000 0.251 143 G C 1.011 175.913 174.900 0.002 0.000 1.271 143 G CA 0.261 45.362 45.100 0.002 0.000 0.859 143 G HN 1.181 nan 8.290 nan 0.000 0.540 144 A N 1.471 124.293 122.820 0.002 0.000 2.178 144 A HA -0.034 4.286 4.320 0.000 0.000 0.218 144 A C 1.778 179.363 177.584 0.002 0.000 1.157 144 A CA 1.371 53.409 52.037 0.002 0.000 0.689 144 A CB -0.021 18.980 19.000 0.002 0.000 0.787 144 A HN 0.635 nan 8.150 nan 0.000 0.465 145 Q N -0.596 119.206 119.800 0.003 0.000 2.135 145 Q HA 0.072 4.412 4.340 0.000 0.000 0.231 145 Q C -0.788 175.214 176.000 0.003 0.000 0.817 145 Q CA -0.258 55.547 55.803 0.003 0.000 1.073 145 Q CB 0.521 29.262 28.738 0.005 0.000 1.176 145 Q HN 0.400 nan 8.270 nan 0.000 0.478 146 D N 1.136 121.538 120.400 0.002 0.000 2.508 146 D HA 0.011 4.651 4.640 0.000 0.000 0.224 146 D C 0.623 176.924 176.300 0.002 0.000 1.171 146 D CA 0.272 54.273 54.000 0.002 0.000 1.006 146 D CB 0.541 41.342 40.800 0.002 0.000 1.073 146 D HN 0.165 nan 8.370 nan 0.000 0.513 147 K N 1.737 122.138 120.400 0.002 0.000 2.147 147 K HA -0.192 4.128 4.320 0.000 0.000 0.205 147 K C 1.625 178.225 176.600 0.001 0.000 1.049 147 K CA 1.152 57.440 56.287 0.001 0.000 0.936 147 K CB 0.216 32.716 32.500 0.001 0.000 0.722 147 K HN 0.526 nan 8.250 nan 0.000 0.446 148 E N 0.833 121.033 120.200 0.001 0.000 2.150 148 E HA -0.128 4.222 4.350 0.000 0.000 0.193 148 E C 1.884 178.484 176.600 0.001 0.000 0.985 148 E CA 0.955 57.356 56.400 0.001 0.000 0.814 148 E CB -0.308 29.392 29.700 0.000 0.000 0.752 148 E HN 0.285 nan 8.360 nan 0.000 0.466 149 I N 0.807 121.378 120.570 0.002 0.000 2.400 149 I HA -0.141 4.029 4.170 0.000 0.000 0.248 149 I C 2.314 178.432 176.117 0.003 0.000 1.109 149 I CA 0.565 61.867 61.300 0.003 0.000 1.425 149 I CB -0.132 37.870 38.000 0.003 0.000 1.094 149 I HN 0.086 nan 8.210 nan 0.000 0.425 150 L N 0.346 121.571 121.223 0.002 0.000 2.131 150 L HA -0.197 4.143 4.340 0.000 0.000 0.210 150 L C 2.554 179.425 176.870 0.002 0.000 1.092 150 L CA 1.469 56.310 54.840 0.002 0.000 0.759 150 L CB -0.818 41.241 42.059 0.000 0.000 0.903 150 L HN 0.270 nan 8.230 nan 0.000 0.435 151 T N -0.812 113.743 114.554 0.001 0.000 2.857 151 T HA -0.144 4.206 4.350 0.000 0.000 0.266 151 T C 1.893 176.594 174.700 0.002 0.000 1.048 151 T CA 0.999 63.099 62.100 0.001 0.000 1.139 151 T CB -0.014 68.854 68.868 -0.001 0.000 0.874 151 T HN 0.280 nan 8.240 nan 0.000 0.455 152 K N 0.627 121.029 120.400 0.004 0.000 2.097 152 K HA 0.060 4.381 4.320 0.000 0.000 0.206 152 K C 2.116 178.722 176.600 0.010 0.000 1.049 152 K CA 1.021 57.312 56.287 0.007 0.000 0.933 152 K CB -0.251 32.254 32.500 0.007 0.000 0.717 152 K HN 0.311 nan 8.250 nan 0.000 0.442 153 I N 0.789 121.364 120.570 0.008 0.000 2.315 153 I HA -0.243 3.927 4.170 0.000 0.000 0.248 153 I C 2.388 178.510 176.117 0.009 0.000 1.117 153 I CA 0.937 62.242 61.300 0.009 0.000 1.404 153 I CB -0.204 37.800 38.000 0.007 0.000 1.071 153 I HN 0.137 nan 8.210 nan 0.000 0.419 154 A N -0.015 122.809 122.820 0.006 0.000 1.969 154 A HA -0.214 4.106 4.320 0.000 0.000 0.218 154 A C 2.256 179.845 177.584 0.009 0.000 1.169 154 A CA 1.548 53.589 52.037 0.006 0.000 0.635 154 A CB -0.487 18.515 19.000 0.003 0.000 0.810 154 A HN 0.388 nan 8.150 nan 0.000 0.445 155 M N -0.719 118.886 119.600 0.009 0.000 2.254 155 M HA -0.043 4.437 4.480 0.000 0.000 0.265 155 M C 1.820 178.133 176.300 0.021 0.000 1.066 155 M CA 1.879 57.185 55.300 0.011 0.000 1.123 155 M CB -0.186 32.417 32.600 0.005 0.000 1.388 155 M HN 0.301 nan 8.290 nan 0.000 0.425 156 T N -1.022 113.546 114.554 0.025 0.000 2.995 156 T HA -0.047 4.303 4.350 0.000 0.000 0.269 156 T C 1.887 176.606 174.700 0.032 0.000 1.091 156 T CA 1.405 63.526 62.100 0.036 0.000 1.128 156 T CB -0.195 68.692 68.868 0.032 0.000 0.891 156 T HN 0.447 nan 8.240 nan 0.000 0.492 157 S N 0.636 116.350 115.700 0.023 0.000 2.377 157 S HA 0.070 4.540 4.470 0.000 0.000 0.223 157 S C 1.992 176.605 174.600 0.022 0.000 1.030 157 S CA 0.415 58.627 58.200 0.019 0.000 0.970 157 S CB -0.310 62.897 63.200 0.012 0.000 0.830 157 S HN 0.458 nan 8.310 nan 0.000 0.473 158 I N 1.369 121.951 120.570 0.022 0.000 2.252 158 I HA -0.083 4.087 4.170 0.000 0.000 0.245 158 I C 0.882 177.019 176.117 0.034 0.000 1.102 158 I CA 0.606 61.919 61.300 0.022 0.000 1.385 158 I CB -0.887 37.123 38.000 0.017 0.000 1.064 158 I HN 0.223 nan 8.210 nan 0.000 0.414 159 T N 0.819 115.401 114.554 0.047 0.000 2.926 159 T HA 0.326 4.676 4.350 0.000 0.000 0.307 159 T C 1.073 175.814 174.700 0.067 0.000 1.059 159 T CA 0.653 62.800 62.100 0.079 0.000 1.122 159 T CB 1.241 70.180 68.868 0.118 0.000 0.972 159 T HN 0.647 nan 8.240 nan 0.000 0.545 160 G N 1.983 110.825 108.800 0.070 0.000 2.313 160 G HA2 -0.236 3.724 3.960 0.000 0.000 0.215 160 G HA3 -0.236 3.724 3.960 0.000 0.000 0.215 160 G C 0.922 175.838 174.900 0.027 0.000 1.023 160 G CA 0.142 45.264 45.100 0.037 0.000 0.626 160 G HN 0.619 nan 8.290 nan 0.000 0.503 161 K N 1.153 121.572 120.400 0.032 0.000 2.426 161 K HA 0.442 4.762 4.320 0.000 0.000 0.193 161 K C 0.963 177.584 176.600 0.035 0.000 1.028 161 K CA 0.757 57.060 56.287 0.027 0.000 1.047 161 K CB 0.424 32.938 32.500 0.023 0.000 0.821 161 K HN 1.384 nan 8.250 nan 0.000 0.513 162 G N -0.278 108.554 108.800 0.054 0.000 2.435 162 G HA2 0.082 4.042 3.960 0.000 0.000 0.603 162 G HA3 0.082 4.042 3.960 0.000 0.000 0.603 162 G C 0.156 175.109 174.900 0.089 0.000 1.496 162 G CA -0.478 44.665 45.100 0.072 0.000 0.896 162 G HN -0.021 nan 8.290 nan 0.000 0.657 163 A N 0.767 123.669 122.820 0.136 0.000 2.019 163 A HA 0.047 4.367 4.320 0.000 0.000 0.219 163 A C 2.130 179.728 177.584 0.023 0.000 1.164 163 A CA 2.212 54.306 52.037 0.096 0.000 0.644 163 A CB -0.255 18.810 19.000 0.109 0.000 0.805 163 A HN 1.197 nan 8.150 nan 0.000 0.449 164 E N 0.638 120.857 120.200 0.032 0.000 2.274 164 E HA -0.153 4.197 4.350 0.000 0.000 0.194 164 E C 1.444 178.051 176.600 0.010 0.000 0.996 164 E CA 1.268 57.676 56.400 0.013 0.000 0.840 164 E CB -0.301 29.410 29.700 0.019 0.000 0.772 164 E HN 0.620 nan 8.360 nan 0.000 0.491 165 K N 0.778 121.189 120.400 0.018 0.000 2.228 165 K HA 0.143 4.463 4.320 0.000 0.000 0.202 165 K C 1.129 177.734 176.600 0.009 0.000 1.051 165 K CA 0.741 57.037 56.287 0.015 0.000 0.960 165 K CB 0.140 32.653 32.500 0.021 0.000 0.743 165 K HN 0.108 nan 8.250 nan 0.000 0.458 166 A N 2.533 125.358 122.820 0.008 0.000 3.026 166 A HA 0.032 4.352 4.320 0.000 0.000 0.272 166 A C -0.279 177.298 177.584 -0.013 0.000 1.782 166 A CA 0.096 52.134 52.037 0.001 0.000 1.451 166 A CB -0.588 18.414 19.000 0.003 0.000 1.081 166 A HN 0.086 nan 8.150 nan 0.000 0.611 167 K N 0.599 120.994 120.400 -0.009 0.000 2.174 167 K HA 0.165 4.486 4.320 0.000 0.000 0.275 167 K C 0.912 177.505 176.600 -0.012 0.000 1.015 167 K CA -0.534 55.745 56.287 -0.013 0.000 0.933 167 K CB 0.587 33.082 32.500 -0.008 0.000 1.025 167 K HN 0.564 nan 8.250 nan 0.000 0.463 168 E N 2.651 122.841 120.200 -0.016 0.000 2.070 168 E HA -0.245 4.105 4.350 0.000 0.000 0.197 168 E C 0.907 177.503 176.600 -0.008 0.000 1.004 168 E CA 1.810 58.202 56.400 -0.013 0.000 0.805 168 E CB 0.186 29.877 29.700 -0.016 0.000 0.744 168 E HN 0.521 nan 8.360 nan 0.000 0.451 169 K N 0.245 120.642 120.400 -0.006 0.000 2.362 169 K HA -0.129 4.192 4.320 0.000 0.000 0.200 169 K C 2.100 178.700 176.600 -0.002 0.000 1.046 169 K CA 0.326 56.611 56.287 -0.003 0.000 0.952 169 K CB -0.033 32.465 32.500 -0.002 0.000 0.753 169 K HN 0.038 nan 8.250 nan 0.000 0.466 170 L N 0.528 121.750 121.223 -0.002 0.000 2.095 170 L HA 0.023 4.363 4.340 0.000 0.000 0.204 170 L C 2.154 179.024 176.870 -0.001 0.000 1.080 170 L CA 1.312 56.151 54.840 -0.000 0.000 0.759 170 L CB -0.395 41.665 42.059 0.001 0.000 0.914 170 L HN 0.043 nan 8.230 nan 0.000 0.439 171 A N -0.575 122.244 122.820 -0.001 0.000 1.933 171 A HA -0.218 4.102 4.320 0.000 0.000 0.218 171 A C 2.138 179.721 177.584 -0.002 0.000 1.175 171 A CA 1.846 53.883 52.037 -0.001 0.000 0.628 171 A CB -0.602 18.397 19.000 -0.001 0.000 0.814 171 A HN 0.604 nan 8.150 nan 0.000 0.444 172 E N -0.376 119.823 120.200 -0.002 0.000 2.106 172 E HA -0.129 4.221 4.350 0.000 0.000 0.192 172 E C 1.837 178.436 176.600 -0.002 0.000 0.984 172 E CA 1.099 57.497 56.400 -0.002 0.000 0.806 172 E CB -0.273 29.425 29.700 -0.002 0.000 0.750 172 E HN 0.698 nan 8.360 nan 0.000 0.458 173 I N 0.897 121.466 120.570 -0.002 0.000 2.226 173 I HA -0.277 3.893 4.170 0.000 0.000 0.245 173 I C 2.282 178.397 176.117 -0.005 0.000 1.100 173 I CA 1.076 62.374 61.300 -0.002 0.000 1.374 173 I CB -0.138 37.862 38.000 -0.000 0.000 1.057 173 I HN 0.113 nan 8.210 nan 0.000 0.413 174 I N -0.235 120.333 120.570 -0.004 0.000 2.202 174 I HA -0.239 3.931 4.170 0.000 0.000 0.242 174 I C 2.477 178.590 176.117 -0.007 0.000 1.091 174 I CA 1.077 62.373 61.300 -0.006 0.000 1.368 174 I CB -0.311 37.687 38.000 -0.004 0.000 1.058 174 I HN -0.010 nan 8.210 nan 0.000 0.410 175 V N 0.676 120.587 119.914 -0.006 0.000 2.392 175 V HA -0.310 3.810 4.120 0.000 0.000 0.249 175 V C 2.418 178.507 176.094 -0.008 0.000 1.059 175 V CA 2.101 64.397 62.300 -0.006 0.000 1.051 175 V CB -0.653 31.168 31.823 -0.003 0.000 0.658 175 V HN 0.485 nan 8.190 nan 0.000 0.455 176 E N -0.231 119.964 120.200 -0.009 0.000 2.208 176 E HA -0.108 4.242 4.350 0.000 0.000 0.193 176 E C 2.187 178.777 176.600 -0.018 0.000 0.988 176 E CA 0.950 57.343 56.400 -0.011 0.000 0.828 176 E CB -0.090 29.605 29.700 -0.008 0.000 0.763 176 E HN 0.599 nan 8.360 nan 0.000 0.478 177 A N 0.146 122.956 122.820 -0.018 0.000 1.930 177 A HA -0.041 4.280 4.320 0.000 0.000 0.215 177 A C 2.255 179.823 177.584 -0.027 0.000 1.176 177 A CA 0.740 52.763 52.037 -0.024 0.000 0.632 177 A CB -0.226 18.761 19.000 -0.021 0.000 0.819 177 A HN 0.184 nan 8.150 nan 0.000 0.445 178 V N -0.175 119.726 119.914 -0.021 0.000 2.548 178 V HA -0.156 3.964 4.120 0.000 0.000 0.249 178 V C 2.633 178.714 176.094 -0.022 0.000 1.055 178 V CA 2.106 64.394 62.300 -0.020 0.000 1.065 178 V CB -0.611 31.203 31.823 -0.014 0.000 0.681 178 V HN 0.508 nan 8.190 nan 0.000 0.462 179 S N 0.205 115.893 115.700 -0.020 0.000 2.423 179 S HA -0.088 4.383 4.470 0.000 0.000 0.231 179 S C 2.151 176.732 174.600 -0.032 0.000 1.014 179 S CA 1.275 59.463 58.200 -0.020 0.000 0.965 179 S CB -0.265 62.927 63.200 -0.014 0.000 0.785 179 S HN 0.651 nan 8.310 nan 0.000 0.495 180 A N 0.985 123.777 122.820 -0.046 0.000 1.930 180 A HA 0.038 4.358 4.320 0.000 0.000 0.215 180 A C 2.046 179.577 177.584 -0.089 0.000 1.176 180 A CA 1.252 53.241 52.037 -0.079 0.000 0.632 180 A CB -0.496 18.455 19.000 -0.081 0.000 0.819 180 A HN 0.548 nan 8.150 nan 0.000 0.445 181 V N -1.951 117.926 119.914 -0.061 0.000 3.577 181 V HA 0.247 4.367 4.120 0.000 0.000 0.294 181 V C 0.334 176.405 176.094 -0.038 0.000 1.317 181 V CA -0.304 61.963 62.300 -0.054 0.000 1.169 181 V CB -0.885 30.912 31.823 -0.044 0.000 1.011 181 V HN 0.069 nan 8.190 nan 0.000 0.426 182 V N 4.192 124.086 119.914 -0.033 0.000 2.446 182 V HA 0.166 4.286 4.120 0.000 0.000 0.276 182 V C 0.274 176.362 176.094 -0.009 0.000 1.030 182 V CA -0.182 62.108 62.300 -0.017 0.000 1.033 182 V CB 0.427 32.243 31.823 -0.010 0.000 0.993 182 V HN 0.759 nan 8.190 nan 0.000 0.477 183 D N 4.004 124.401 120.400 -0.005 0.000 2.339 183 D HA 0.095 4.735 4.640 0.000 0.000 0.241 183 D C -0.400 175.905 176.300 0.009 0.000 1.183 183 D CA -0.586 53.416 54.000 0.003 0.000 0.859 183 D CB 0.973 41.773 40.800 0.001 0.000 1.067 183 D HN 0.372 nan 8.370 nan 0.000 0.484 184 D N 2.739 123.149 120.400 0.017 0.000 2.383 184 D HA 0.111 4.751 4.640 0.000 0.000 0.252 184 D C 0.273 176.582 176.300 0.014 0.000 1.166 184 D CA 0.231 54.242 54.000 0.018 0.000 0.879 184 D CB 1.095 41.912 40.800 0.029 0.000 1.164 184 D HN 0.450 nan 8.370 nan 0.000 0.462 185 E N 0.528 120.734 120.200 0.010 0.000 2.183 185 E HA 0.611 4.961 4.350 0.000 0.000 0.271 185 E C 0.322 176.925 176.600 0.005 0.000 0.919 185 E CA -1.040 55.365 56.400 0.008 0.000 0.781 185 E CB 2.164 31.868 29.700 0.007 0.000 1.140 185 E HN 0.527 nan 8.360 nan 0.000 0.402 186 G N 2.564 111.366 108.800 0.004 0.000 5.580 186 G HA2 0.010 3.970 3.960 0.000 0.000 0.197 186 G HA3 0.010 3.970 3.960 0.000 0.000 0.197 186 G C -0.060 174.840 174.900 0.001 0.000 0.741 186 G CA -0.413 44.689 45.100 0.004 0.000 0.692 186 G HN 0.075 nan 8.290 nan 0.000 0.300 187 K N 0.256 120.656 120.400 -0.000 0.000 2.090 187 K HA 0.666 4.986 4.320 0.000 0.000 0.249 187 K C -0.387 176.210 176.600 -0.005 0.000 0.995 187 K CA -0.618 55.668 56.287 -0.002 0.000 0.914 187 K CB 2.471 34.970 32.500 -0.002 0.000 1.057 187 K HN -0.030 nan 8.250 nan 0.000 0.462 188 V N 1.666 121.576 119.914 -0.006 0.000 2.384 188 V HA 0.074 4.194 4.120 0.000 0.000 0.287 188 V C -0.503 175.585 176.094 -0.010 0.000 1.020 188 V CA -0.863 61.431 62.300 -0.010 0.000 0.850 188 V CB 1.474 33.291 31.823 -0.010 0.000 0.987 188 V HN 0.611 nan 8.190 nan 0.000 0.436 189 D N 3.606 123.998 120.400 -0.013 0.000 2.313 189 D HA 0.309 4.949 4.640 0.000 0.000 0.239 189 D C 0.858 177.149 176.300 -0.016 0.000 1.142 189 D CA -0.394 53.598 54.000 -0.013 0.000 0.847 189 D CB 1.707 42.498 40.800 -0.015 0.000 1.082 189 D HN 0.343 nan 8.370 nan 0.000 0.480 190 K N 1.627 122.018 120.400 -0.014 0.000 2.283 190 K HA -0.039 4.281 4.320 0.000 0.000 0.202 190 K C 0.801 177.390 176.600 -0.018 0.000 1.048 190 K CA 0.830 57.108 56.287 -0.015 0.000 0.948 190 K CB 0.236 32.729 32.500 -0.011 0.000 0.742 190 K HN 0.389 nan 8.250 nan 0.000 0.458 191 D N 0.014 120.403 120.400 -0.019 0.000 2.363 191 D HA -0.022 4.618 4.640 0.000 0.000 0.220 191 D C 1.288 177.571 176.300 -0.028 0.000 0.994 191 D CA 0.569 54.556 54.000 -0.022 0.000 0.890 191 D CB 0.166 40.954 40.800 -0.019 0.000 0.906 191 D HN 0.162 nan 8.370 nan 0.000 0.530 192 L N 0.049 121.255 121.223 -0.028 0.000 2.341 192 L HA 0.138 4.478 4.340 0.000 0.000 0.214 192 L C 0.761 177.608 176.870 -0.039 0.000 1.115 192 L CA 0.306 55.126 54.840 -0.034 0.000 0.820 192 L CB 0.320 42.359 42.059 -0.033 0.000 0.944 192 L HN -0.125 nan 8.230 nan 0.000 0.452 193 I N 1.101 121.650 120.570 -0.035 0.000 2.282 193 I HA 0.060 4.230 4.170 0.000 0.000 0.290 193 I C 0.417 176.511 176.117 -0.037 0.000 1.090 193 I CA -0.094 61.185 61.300 -0.036 0.000 1.231 193 I CB 0.572 38.554 38.000 -0.029 0.000 1.434 193 I HN -0.005 nan 8.210 nan 0.000 0.487 194 K N 7.216 127.589 120.400 -0.046 0.000 2.383 194 K HA 0.363 4.683 4.320 0.000 0.000 0.286 194 K C -0.613 175.958 176.600 -0.048 0.000 1.051 194 K CA -0.203 56.053 56.287 -0.051 0.000 0.974 194 K CB 0.597 33.057 32.500 -0.066 0.000 0.968 194 K HN 0.539 nan 8.250 nan 0.000 0.475 195 I N 4.073 124.619 120.570 -0.041 0.000 2.312 195 I HA 0.136 4.306 4.170 0.000 0.000 0.290 195 I C -0.350 175.742 176.117 -0.041 0.000 1.008 195 I CA -0.575 60.703 61.300 -0.037 0.000 1.226 195 I CB 1.549 39.533 38.000 -0.026 0.000 1.371 195 I HN 0.618 nan 8.210 nan 0.000 0.468 196 E N 6.514 126.687 120.200 -0.046 0.000 2.183 196 E HA 0.407 4.757 4.350 0.000 0.000 0.271 196 E C -1.195 175.385 176.600 -0.034 0.000 0.919 196 E CA -0.687 55.682 56.400 -0.050 0.000 0.781 196 E CB 1.268 30.922 29.700 -0.078 0.000 1.140 196 E HN 0.282 nan 8.360 nan 0.000 0.402 197 K N 4.004 124.386 120.400 -0.030 0.000 2.464 197 K HA 0.408 4.728 4.320 0.000 0.000 0.252 197 K C -0.721 175.870 176.600 -0.015 0.000 1.000 197 K CA -0.888 55.387 56.287 -0.021 0.000 0.951 197 K CB 1.098 33.584 32.500 -0.024 0.000 1.183 197 K HN 0.194 nan 8.250 nan 0.000 0.445 198 K N 1.055 121.453 120.400 -0.003 0.000 2.328 198 K HA 0.311 4.631 4.320 0.000 0.000 0.246 198 K C 0.569 177.175 176.600 0.011 0.000 0.955 198 K CA -0.507 55.785 56.287 0.008 0.000 0.817 198 K CB 1.957 34.474 32.500 0.029 0.000 1.208 198 K HN 0.640 nan 8.250 nan 0.000 0.432 199 S N 0.113 115.820 115.700 0.011 0.000 2.136 199 S HA 0.538 5.009 4.470 0.000 0.000 0.205 199 S C 0.717 175.327 174.600 0.017 0.000 1.346 199 S CA 0.489 58.695 58.200 0.010 0.000 1.084 199 S CB -0.419 62.785 63.200 0.007 0.000 0.767 199 S HN 1.034 nan 8.310 nan 0.000 0.423 200 G N -0.756 108.054 108.800 0.016 0.000 2.603 200 G HA2 0.434 4.394 3.960 0.000 0.000 0.686 200 G HA3 0.434 4.394 3.960 0.000 0.000 0.686 200 G C -0.301 174.607 174.900 0.013 0.000 1.286 200 G CA -0.317 44.793 45.100 0.016 0.000 0.871 200 G HN 1.731 nan 8.290 nan 0.000 0.568 201 A N 0.388 123.215 122.820 0.012 0.000 2.798 201 A HA 0.837 5.157 4.320 0.000 0.000 0.316 201 A C 0.775 178.366 177.584 0.011 0.000 1.506 201 A CA 1.230 53.273 52.037 0.010 0.000 1.162 201 A CB 0.398 19.403 19.000 0.008 0.000 1.138 201 A HN 2.101 nan 8.150 nan 0.000 0.532 202 S N 1.452 117.159 115.700 0.012 0.000 4.107 202 S HA 0.541 5.011 4.470 0.000 0.000 0.196 202 S C 1.144 175.751 174.600 0.011 0.000 1.125 202 S CA 0.554 58.761 58.200 0.012 0.000 1.614 202 S CB -0.324 62.885 63.200 0.015 0.000 1.234 202 S HN 1.032 nan 8.310 nan 0.000 0.799 203 I N 1.024 121.601 120.570 0.012 0.000 3.969 203 I HA -0.339 3.831 4.170 0.000 0.000 0.133 203 I C 0.079 176.201 176.117 0.009 0.000 0.412 203 I CA 1.889 63.195 61.300 0.011 0.000 1.227 203 I CB -0.783 37.223 38.000 0.011 0.000 1.082 203 I HN 0.496 nan 8.210 nan 0.000 0.204 204 D N 0.166 120.571 120.400 0.008 0.000 2.389 204 D HA 0.041 4.681 4.640 0.000 0.000 0.206 204 D C 0.923 177.228 176.300 0.009 0.000 1.055 204 D CA 0.521 54.525 54.000 0.007 0.000 0.856 204 D CB 0.005 40.808 40.800 0.005 0.000 0.957 204 D HN 0.400 nan 8.370 nan 0.000 0.509 205 D N 0.372 120.779 120.400 0.012 0.000 2.325 205 D HA -0.000 4.640 4.640 0.000 0.000 0.225 205 D C 0.220 176.533 176.300 0.022 0.000 1.096 205 D CA 0.219 54.229 54.000 0.017 0.000 0.844 205 D CB -0.028 40.783 40.800 0.018 0.000 0.925 205 D HN 0.090 nan 8.370 nan 0.000 0.513 206 T N -0.319 114.245 114.554 0.017 0.000 2.779 206 T HA 0.333 4.683 4.350 0.000 0.000 0.296 206 T C 0.219 174.929 174.700 0.018 0.000 0.938 206 T CA -0.675 61.436 62.100 0.017 0.000 1.119 206 T CB 0.937 69.811 68.868 0.011 0.000 0.891 206 T HN 0.180 nan 8.240 nan 0.000 0.526 207 E N 2.513 122.728 120.200 0.024 0.000 2.299 207 E HA 0.592 4.942 4.350 0.000 0.000 0.265 207 E C -1.124 175.487 176.600 0.018 0.000 0.911 207 E CA -1.428 54.987 56.400 0.025 0.000 0.789 207 E CB 1.416 31.141 29.700 0.041 0.000 1.246 207 E HN 0.461 nan 8.360 nan 0.000 0.427 208 L N 2.462 123.693 121.223 0.014 0.000 2.278 208 L HA 0.398 4.738 4.340 0.000 0.000 0.287 208 L C -1.122 175.756 176.870 0.013 0.000 1.072 208 L CA -0.201 54.642 54.840 0.006 0.000 0.819 208 L CB 0.419 42.478 42.059 0.001 0.000 1.176 208 L HN 0.584 nan 8.230 nan 0.000 0.435 209 I N 5.622 126.196 120.570 0.006 0.000 2.312 209 I HA 0.239 4.409 4.170 0.000 0.000 0.290 209 I C 0.350 176.464 176.117 -0.006 0.000 1.008 209 I CA -0.424 60.884 61.300 0.013 0.000 1.226 209 I CB 0.785 38.787 38.000 0.003 0.000 1.371 209 I HN 0.533 nan 8.210 nan 0.000 0.468 210 K N 5.935 126.338 120.400 0.004 0.000 2.278 210 K HA 0.420 4.740 4.320 0.000 0.000 0.237 210 K C 0.314 176.910 176.600 -0.008 0.000 1.229 210 K CA -0.269 56.013 56.287 -0.008 0.000 1.155 210 K CB 0.265 32.764 32.500 -0.002 0.000 1.590 210 K HN 0.912 nan 8.250 nan 0.000 0.290 211 G N -0.526 108.259 108.800 -0.025 0.000 2.393 211 G HA2 0.280 4.240 3.960 0.000 0.000 0.264 211 G HA3 0.280 4.240 3.960 0.000 0.000 0.264 211 G C -1.585 173.273 174.900 -0.071 0.000 1.221 211 G CA -0.593 44.487 45.100 -0.034 0.000 0.912 211 G HN 0.081 nan 8.290 nan 0.000 0.483 212 V N 0.009 119.865 119.914 -0.096 0.000 2.962 212 V HA 0.734 4.854 4.120 0.000 0.000 0.313 212 V C -1.103 174.881 176.094 -0.185 0.000 1.099 212 V CA -0.706 61.509 62.300 -0.142 0.000 0.971 212 V CB 1.981 33.701 31.823 -0.171 0.000 1.028 212 V HN 0.718 nan 8.190 nan 0.000 0.430 213 L N 3.425 124.515 121.223 -0.222 0.000 2.316 213 L HA 0.623 4.963 4.340 0.000 0.000 0.280 213 L C -0.576 176.172 176.870 -0.202 0.000 1.006 213 L CA -0.020 54.637 54.840 -0.305 0.000 0.836 213 L CB 1.584 43.402 42.059 -0.401 0.000 1.221 213 L HN 0.487 nan 8.230 nan 0.000 0.418 214 V N 3.635 123.464 119.914 -0.143 0.000 2.383 214 V HA 0.200 4.320 4.120 0.000 0.000 0.275 214 V C 0.264 176.350 176.094 -0.014 0.000 1.036 214 V CA -0.612 61.644 62.300 -0.073 0.000 0.889 214 V CB 1.363 33.168 31.823 -0.030 0.000 0.985 214 V HN 0.614 nan 8.190 nan 0.000 0.459 215 D N 4.433 124.822 120.400 -0.018 0.000 2.941 215 D HA 0.106 4.746 4.640 0.000 0.000 0.236 215 D C 0.267 176.589 176.300 0.037 0.000 1.147 215 D CA 0.591 54.593 54.000 0.004 0.000 0.975 215 D CB -0.147 40.648 40.800 -0.008 0.000 1.162 215 D HN 0.419 nan 8.370 nan 0.000 0.444 216 K N 0.238 120.680 120.400 0.070 0.000 2.466 216 K HA 0.408 4.729 4.320 0.000 0.000 0.260 216 K C -0.375 176.277 176.600 0.087 0.000 1.011 216 K CA -0.664 55.673 56.287 0.083 0.000 0.871 216 K CB 2.099 34.669 32.500 0.116 0.000 1.404 216 K HN 0.082 nan 8.250 nan 0.000 0.450 217 E N 0.947 121.185 120.200 0.063 0.000 2.334 217 E HA 0.295 4.645 4.350 0.000 0.000 0.256 217 E C -0.601 176.015 176.600 0.026 0.000 0.958 217 E CA -1.071 55.360 56.400 0.051 0.000 0.821 217 E CB 1.302 31.024 29.700 0.037 0.000 1.269 217 E HN 0.405 nan 8.360 nan 0.000 0.413 218 R N 0.821 121.326 120.500 0.008 0.000 2.489 218 R HA 0.047 4.387 4.340 0.000 0.000 0.287 218 R C 0.680 176.970 176.300 -0.017 0.000 1.053 218 R CA -0.123 55.962 56.100 -0.024 0.000 1.036 218 R CB 0.558 30.842 30.300 -0.027 0.000 0.966 218 R HN 0.433 nan 8.270 nan 0.000 0.432 219 V N 2.151 122.049 119.914 -0.028 0.000 2.490 219 V HA -0.123 3.997 4.120 0.000 0.000 0.250 219 V C 0.679 176.766 176.094 -0.011 0.000 1.061 219 V CA 2.188 64.480 62.300 -0.015 0.000 1.064 219 V CB 0.033 31.846 31.823 -0.017 0.000 0.670 219 V HN 0.892 nan 8.190 nan 0.000 0.461 220 S N -1.789 113.900 115.700 -0.017 0.000 2.500 220 S HA 0.669 5.139 4.470 0.000 0.000 0.301 220 S C 0.779 175.372 174.600 -0.012 0.000 1.092 220 S CA -0.167 58.026 58.200 -0.011 0.000 1.030 220 S CB 1.768 64.962 63.200 -0.011 0.000 1.031 220 S HN 0.552 nan 8.310 nan 0.000 0.483 221 A N 3.271 126.088 122.820 -0.006 0.000 2.121 221 A HA -0.032 4.288 4.320 0.000 0.000 0.218 221 A C 1.844 179.424 177.584 -0.008 0.000 1.154 221 A CA 1.226 53.260 52.037 -0.005 0.000 0.679 221 A CB -0.509 18.490 19.000 -0.002 0.000 0.795 221 A HN 0.886 nan 8.150 nan 0.000 0.458 222 Q N -0.986 118.808 119.800 -0.009 0.000 2.435 222 Q HA 0.088 4.428 4.340 0.000 0.000 0.207 222 Q C 0.261 176.248 176.000 -0.022 0.000 0.956 222 Q CA 0.053 55.848 55.803 -0.012 0.000 0.917 222 Q CB -0.100 28.631 28.738 -0.011 0.000 0.997 222 Q HN 0.700 nan 8.270 nan 0.000 0.497 223 M N 1.549 121.134 119.600 -0.025 0.000 2.255 223 M HA 0.236 4.716 4.480 0.000 0.000 0.336 223 M C -2.075 174.210 176.300 -0.025 0.000 1.135 223 M CA -1.955 53.326 55.300 -0.032 0.000 1.145 223 M CB 0.594 33.170 32.600 -0.040 0.000 1.473 223 M HN -0.107 nan 8.290 nan 0.000 0.462 224 P HA 0.017 nan 4.420 nan 0.000 0.270 224 P C -0.476 176.815 177.300 -0.016 0.000 1.227 224 P CA 0.008 63.097 63.100 -0.019 0.000 0.788 224 P CB 0.504 32.194 31.700 -0.018 0.000 0.926 225 K N 0.458 120.852 120.400 -0.010 0.000 2.438 225 K HA 0.172 4.492 4.320 0.000 0.000 0.206 225 K C -0.124 176.476 176.600 0.000 0.000 1.081 225 K CA 0.064 56.349 56.287 -0.004 0.000 1.053 225 K CB 0.448 32.945 32.500 -0.005 0.000 0.908 225 K HN 0.229 nan 8.250 nan 0.000 0.556 226 K N 1.180 121.579 120.400 -0.001 0.000 2.619 226 K HA 0.238 4.558 4.320 0.000 0.000 0.251 226 K C -1.904 174.699 176.600 0.005 0.000 0.987 226 K CA -0.614 55.675 56.287 0.003 0.000 0.844 226 K CB 2.093 34.589 32.500 -0.006 0.000 1.237 226 K HN -0.114 nan 8.250 nan 0.000 0.447 227 V N 2.833 122.756 119.914 0.015 0.000 2.531 227 V HA 0.453 4.573 4.120 0.000 0.000 0.301 227 V C -0.136 175.971 176.094 0.023 0.000 1.034 227 V CA -0.795 61.514 62.300 0.015 0.000 0.865 227 V CB 1.697 33.529 31.823 0.015 0.000 0.995 227 V HN 0.903 nan 8.190 nan 0.000 0.424 228 T N 0.010 114.574 114.554 0.017 0.000 2.867 228 T HA 0.457 4.807 4.350 0.000 0.000 0.282 228 T C -0.149 174.564 174.700 0.021 0.000 1.000 228 T CA -0.545 61.567 62.100 0.020 0.000 1.042 228 T CB 1.204 70.080 68.868 0.014 0.000 0.973 228 T HN 0.712 nan 8.240 nan 0.000 0.465 229 D N 0.408 120.824 120.400 0.026 0.000 2.704 229 D HA -0.147 4.493 4.640 0.000 0.000 0.232 229 D C 0.314 176.631 176.300 0.028 0.000 1.183 229 D CA 0.950 54.965 54.000 0.026 0.000 0.647 229 D CB -1.206 39.606 40.800 0.020 0.000 1.013 229 D HN 1.036 nan 8.370 nan 0.000 0.415 230 A N 0.790 123.632 122.820 0.036 0.000 2.354 230 A HA 0.441 4.761 4.320 0.000 0.000 0.269 230 A C 0.455 178.064 177.584 0.042 0.000 1.109 230 A CA -0.368 51.691 52.037 0.037 0.000 0.800 230 A CB 0.810 19.837 19.000 0.045 0.000 1.045 230 A HN 0.074 nan 8.150 nan 0.000 0.489 231 K N 1.884 122.305 120.400 0.036 0.000 2.263 231 K HA 0.545 4.865 4.320 0.000 0.000 0.272 231 K C -0.953 175.677 176.600 0.050 0.000 1.033 231 K CA 0.310 56.621 56.287 0.039 0.000 0.884 231 K CB 1.133 33.649 32.500 0.028 0.000 1.107 231 K HN 0.549 nan 8.250 nan 0.000 0.460 232 I N 2.419 123.033 120.570 0.072 0.000 2.336 232 I HA 0.422 4.592 4.170 0.000 0.000 0.292 232 I C -0.139 176.038 176.117 0.099 0.000 0.991 232 I CA -0.949 60.416 61.300 0.110 0.000 1.227 232 I CB 1.713 39.815 38.000 0.170 0.000 1.366 232 I HN 0.591 nan 8.210 nan 0.000 0.466 233 A N 7.316 130.193 122.820 0.095 0.000 2.317 233 A HA 0.808 5.128 4.320 0.000 0.000 0.327 233 A C -0.964 176.690 177.584 0.117 0.000 1.178 233 A CA -0.456 51.629 52.037 0.080 0.000 0.817 233 A CB 0.875 19.903 19.000 0.048 0.000 1.189 233 A HN 0.566 nan 8.150 nan 0.000 0.489 234 L N 2.510 123.792 121.223 0.099 0.000 2.305 234 L HA 0.522 4.862 4.340 0.000 0.000 0.284 234 L C -0.529 176.385 176.870 0.073 0.000 1.013 234 L CA 0.250 55.155 54.840 0.108 0.000 0.819 234 L CB 1.386 43.493 42.059 0.079 0.000 1.227 234 L HN 0.628 nan 8.230 nan 0.000 0.417 235 L N 3.146 124.416 121.223 0.078 0.000 2.349 235 L HA 0.448 4.788 4.340 0.000 0.000 0.278 235 L C 0.682 177.582 176.870 0.049 0.000 0.996 235 L CA -0.454 54.419 54.840 0.054 0.000 0.825 235 L CB 1.796 43.883 42.059 0.048 0.000 1.243 235 L HN 0.543 nan 8.230 nan 0.000 0.412 236 N N 0.879 119.600 118.700 0.036 0.000 2.422 236 N HA -0.015 4.725 4.740 0.000 0.000 0.181 236 N C 0.221 175.747 175.510 0.027 0.000 1.080 236 N CA 0.046 53.114 53.050 0.030 0.000 0.893 236 N CB 0.283 38.783 38.487 0.022 0.000 0.973 236 N HN 0.543 nan 8.380 nan 0.000 0.456 237 C N 0.902 120.219 119.300 0.027 0.000 2.534 237 C HA 0.738 5.198 4.460 0.000 0.000 0.385 237 C C 0.457 175.463 174.990 0.027 0.000 1.264 237 C CA -0.826 58.207 59.018 0.025 0.000 2.342 237 C CB -0.492 27.261 27.740 0.023 0.000 2.564 237 C HN 0.463 nan 8.230 nan 0.000 0.603 238 A N 5.386 128.221 122.820 0.025 0.000 2.320 238 A HA 0.530 4.850 4.320 0.000 0.000 0.287 238 A C 0.229 177.830 177.584 0.028 0.000 1.181 238 A CA -0.394 51.659 52.037 0.026 0.000 0.831 238 A CB 0.011 19.025 19.000 0.024 0.000 1.102 238 A HN 0.847 nan 8.150 nan 0.000 0.513 239 I N 2.821 123.409 120.570 0.031 0.000 2.546 239 I HA 0.063 4.233 4.170 0.000 0.000 0.275 239 I C 0.394 176.535 176.117 0.040 0.000 1.032 239 I CA 0.541 61.862 61.300 0.035 0.000 2.040 239 I CB -0.998 37.024 38.000 0.037 0.000 1.464 239 I HN 0.717 nan 8.210 nan 0.000 0.865 240 E N 1.460 121.681 120.200 0.035 0.000 2.449 240 E HA 0.531 4.881 4.350 0.000 0.000 0.254 240 E C -0.413 176.209 176.600 0.036 0.000 0.907 240 E CA -1.137 55.285 56.400 0.037 0.000 0.840 240 E CB 1.835 31.553 29.700 0.030 0.000 1.459 240 E HN 0.044 nan 8.360 nan 0.000 0.407 241 I N 1.542 122.134 120.570 0.036 0.000 2.588 241 I HA 0.059 4.229 4.170 0.000 0.000 0.283 241 I C 0.148 176.282 176.117 0.029 0.000 1.119 241 I CA 0.185 61.507 61.300 0.036 0.000 1.419 241 I CB -0.037 37.986 38.000 0.038 0.000 1.394 241 I HN 0.318 nan 8.210 nan 0.000 0.562 242 K N 6.243 126.659 120.400 0.028 0.000 2.219 242 K HA 0.238 4.558 4.320 0.000 0.000 0.280 242 K C -0.147 176.467 176.600 0.022 0.000 1.104 242 K CA -0.247 56.054 56.287 0.023 0.000 0.925 242 K CB 0.431 32.944 32.500 0.021 0.000 1.261 242 K HN 0.497 nan 8.250 nan 0.000 0.445 243 E N 1.887 122.098 120.200 0.018 0.000 2.338 243 E HA 0.017 4.367 4.350 0.000 0.000 0.272 243 E C 0.096 176.704 176.600 0.013 0.000 1.029 243 E CA -0.313 56.095 56.400 0.015 0.000 0.872 243 E CB 0.800 30.506 29.700 0.010 0.000 1.015 243 E HN 0.460 nan 8.360 nan 0.000 0.417 244 T N 0.671 115.232 114.554 0.013 0.000 2.926 244 T HA 0.031 4.381 4.350 0.000 0.000 0.307 244 T C 1.020 175.725 174.700 0.008 0.000 1.059 244 T CA -0.716 61.391 62.100 0.011 0.000 1.122 244 T CB 1.111 69.987 68.868 0.013 0.000 0.972 244 T HN 0.367 nan 8.240 nan 0.000 0.545 245 E N 1.530 121.734 120.200 0.008 0.000 2.047 245 E HA -0.050 4.300 4.350 0.000 0.000 0.191 245 E C 1.188 177.790 176.600 0.005 0.000 0.987 245 E CA 1.289 57.692 56.400 0.006 0.000 0.799 245 E CB -0.670 29.034 29.700 0.006 0.000 0.752 245 E HN 0.922 nan 8.360 nan 0.000 0.449 246 T N 1.921 116.478 114.554 0.005 0.000 2.817 246 T HA 0.059 4.409 4.350 0.000 0.000 0.295 246 T C 0.098 174.800 174.700 0.003 0.000 0.958 246 T CA -0.608 61.495 62.100 0.004 0.000 1.157 246 T CB 0.481 69.352 68.868 0.005 0.000 0.898 246 T HN -0.176 nan 8.240 nan 0.000 0.536 247 D N 2.672 123.073 120.400 0.001 0.000 2.583 247 D HA 0.337 4.977 4.640 0.000 0.000 0.232 247 D C 0.143 176.441 176.300 -0.003 0.000 1.128 247 D CA 0.570 54.569 54.000 -0.002 0.000 0.859 247 D CB 0.450 41.248 40.800 -0.003 0.000 1.169 247 D HN 0.898 nan 8.370 nan 0.000 0.481 248 A N 2.767 125.583 122.820 -0.006 0.000 2.401 248 A HA 0.600 4.920 4.320 0.000 0.000 0.310 248 A C -0.395 177.176 177.584 -0.021 0.000 1.075 248 A CA -0.653 51.380 52.037 -0.008 0.000 0.746 248 A CB 1.974 20.974 19.000 -0.001 0.000 1.277 248 A HN 0.514 nan 8.150 nan 0.000 0.425 249 E N 1.162 121.344 120.200 -0.030 0.000 2.314 249 E HA 0.586 4.936 4.350 0.000 0.000 0.272 249 E C -1.407 175.145 176.600 -0.080 0.000 0.884 249 E CA -0.498 55.870 56.400 -0.054 0.000 0.753 249 E CB 1.766 31.440 29.700 -0.044 0.000 1.213 249 E HN 0.636 nan 8.360 nan 0.000 0.432 250 I N 2.997 123.479 120.570 -0.146 0.000 2.488 250 I HA 0.414 4.584 4.170 0.000 0.000 0.299 250 I C -0.043 175.955 176.117 -0.199 0.000 0.984 250 I CA -0.781 60.375 61.300 -0.240 0.000 1.250 250 I CB 0.953 38.625 38.000 -0.546 0.000 1.389 250 I HN 0.219 nan 8.210 nan 0.000 0.488 251 R N 5.873 126.286 120.500 -0.145 0.000 2.409 251 R HA 0.547 4.887 4.340 0.000 0.000 0.313 251 R C -1.250 175.029 176.300 -0.035 0.000 0.953 251 R CA -0.865 55.187 56.100 -0.079 0.000 0.849 251 R CB 1.620 31.904 30.300 -0.027 0.000 1.171 251 R HN 0.451 nan 8.270 nan 0.000 0.458 252 I N 1.709 122.259 120.570 -0.035 0.000 2.354 252 I HA 0.221 4.391 4.170 0.000 0.000 0.292 252 I C 1.395 177.534 176.117 0.036 0.000 0.989 252 I CA 0.061 61.385 61.300 0.039 0.000 1.188 252 I CB 1.984 40.007 38.000 0.039 0.000 1.342 252 I HN 0.649 nan 8.210 nan 0.000 0.457 253 T N -0.741 113.845 114.554 0.053 0.000 2.955 253 T HA 0.210 4.560 4.350 0.000 0.000 0.251 253 T C 0.263 174.985 174.700 0.038 0.000 1.002 253 T CA -0.151 61.971 62.100 0.036 0.000 0.970 253 T CB -0.014 68.873 68.868 0.031 0.000 1.091 253 T HN 0.399 nan 8.240 nan 0.000 0.495 254 D N 2.906 123.337 120.400 0.051 0.000 2.256 254 D HA 0.379 5.019 4.640 0.000 0.000 0.240 254 D C -1.376 174.953 176.300 0.048 0.000 1.062 254 D CA -2.558 51.467 54.000 0.043 0.000 0.832 254 D CB 2.176 43.000 40.800 0.039 0.000 1.135 254 D HN -0.101 nan 8.370 nan 0.000 0.484 255 P HA -0.162 nan 4.420 nan 0.000 0.219 255 P C 0.779 178.101 177.300 0.038 0.000 1.146 255 P CA 0.724 63.845 63.100 0.035 0.000 0.808 255 P CB 0.215 31.929 31.700 0.023 0.000 0.779 256 A N -0.111 122.728 122.820 0.031 0.000 2.167 256 A HA -0.035 4.285 4.320 0.000 0.000 0.214 256 A C 2.099 179.701 177.584 0.030 0.000 1.151 256 A CA 0.833 52.885 52.037 0.024 0.000 0.735 256 A CB -0.657 18.350 19.000 0.012 0.000 0.802 256 A HN 0.023 nan 8.150 nan 0.000 0.467 257 K N -0.210 120.224 120.400 0.057 0.000 2.459 257 K HA 0.167 4.487 4.320 0.000 0.000 0.193 257 K C 1.480 178.189 176.600 0.181 0.000 1.030 257 K CA 0.158 56.497 56.287 0.087 0.000 1.026 257 K CB -0.199 32.389 32.500 0.147 0.000 0.809 257 K HN 0.523 nan 8.250 nan 0.000 0.504 258 L N 0.352 121.660 121.223 0.142 0.000 1.976 258 L HA -0.172 4.168 4.340 0.000 0.000 0.209 258 L C 2.360 179.312 176.870 0.138 0.000 1.071 258 L CA 1.152 56.082 54.840 0.151 0.000 0.746 258 L CB -0.419 41.690 42.059 0.083 0.000 0.890 258 L HN 0.127 nan 8.230 nan 0.000 0.432 259 M N -0.671 118.975 119.600 0.077 0.000 2.346 259 M HA -0.184 4.296 4.480 0.000 0.000 0.263 259 M C 2.057 178.378 176.300 0.035 0.000 1.064 259 M CA 1.413 56.744 55.300 0.052 0.000 1.083 259 M CB -1.029 31.587 32.600 0.028 0.000 1.399 259 M HN 0.315 nan 8.290 nan 0.000 0.435 260 E N -0.283 119.920 120.200 0.005 0.000 2.017 260 E HA -0.176 4.174 4.350 0.000 0.000 0.193 260 E C 1.948 178.472 176.600 -0.125 0.000 0.997 260 E CA 1.385 57.716 56.400 -0.115 0.000 0.804 260 E CB -0.172 29.371 29.700 -0.261 0.000 0.757 260 E HN 0.431 nan 8.360 nan 0.000 0.448 261 F N 0.702 120.656 119.950 0.008 0.000 2.163 261 F HA -0.110 4.417 4.527 0.000 0.000 0.297 261 F C 2.299 178.106 175.800 0.012 0.000 1.094 261 F CA 0.715 58.720 58.000 0.009 0.000 1.290 261 F CB -0.200 38.804 39.000 0.008 0.000 1.017 261 F HN -0.023 nan 8.300 nan 0.000 0.483 262 I N 0.032 120.725 120.570 0.205 0.000 2.163 262 I HA -0.285 3.885 4.170 0.000 0.000 0.243 262 I C 2.126 178.294 176.117 0.084 0.000 1.085 262 I CA 1.618 62.990 61.300 0.120 0.000 1.347 262 I CB -0.553 37.501 38.000 0.089 0.000 1.044 262 I HN 0.153 nan 8.210 nan 0.000 0.408 263 E N 0.112 120.347 120.200 0.058 0.000 2.204 263 E HA -0.270 4.080 4.350 0.000 0.000 0.194 263 E C 2.074 178.689 176.600 0.025 0.000 0.989 263 E CA 0.843 57.265 56.400 0.037 0.000 0.824 263 E CB -0.008 29.702 29.700 0.017 0.000 0.756 263 E HN 0.391 nan 8.360 nan 0.000 0.477 264 Q N 1.181 120.991 119.800 0.016 0.000 2.137 264 Q HA -0.140 4.200 4.340 0.000 0.000 0.198 264 Q C 1.742 177.766 176.000 0.040 0.000 0.960 264 Q CA 1.416 57.223 55.803 0.005 0.000 0.847 264 Q CB 0.094 28.811 28.738 -0.035 0.000 0.915 264 Q HN 0.201 nan 8.270 nan 0.000 0.448 265 E N 0.024 120.270 120.200 0.076 0.000 2.072 265 E HA -0.202 4.148 4.350 0.000 0.000 0.191 265 E C 1.525 178.168 176.600 0.071 0.000 0.985 265 E CA 1.268 57.716 56.400 0.080 0.000 0.801 265 E CB 0.014 29.771 29.700 0.096 0.000 0.750 265 E HN 0.682 nan 8.360 nan 0.000 0.452 266 E N 0.385 120.633 120.200 0.080 0.000 2.482 266 E HA -0.149 4.201 4.350 0.000 0.000 0.196 266 E C 1.830 178.471 176.600 0.069 0.000 1.047 266 E CA 0.504 56.971 56.400 0.112 0.000 0.869 266 E CB 0.008 29.794 29.700 0.144 0.000 0.836 266 E HN 0.016 nan 8.360 nan 0.000 0.520 267 K N 0.653 121.068 120.400 0.025 0.000 2.365 267 K HA 0.051 4.371 4.320 0.000 0.000 0.197 267 K C 1.837 178.418 176.600 -0.033 0.000 1.042 267 K CA 0.397 56.669 56.287 -0.025 0.000 0.987 267 K CB 0.095 32.582 32.500 -0.022 0.000 0.779 267 K HN 0.177 nan 8.250 nan 0.000 0.484 268 M N 0.222 119.823 119.600 0.001 0.000 2.388 268 M HA -0.059 4.421 4.480 0.000 0.000 0.265 268 M C 1.369 177.671 176.300 0.004 0.000 1.088 268 M CA 0.585 55.887 55.300 0.003 0.000 1.134 268 M CB 0.145 32.759 32.600 0.023 0.000 1.384 268 M HN 0.075 nan 8.290 nan 0.000 0.447 269 L N 0.351 121.588 121.223 0.024 0.000 2.209 269 L HA -0.027 4.313 4.340 0.000 0.000 0.207 269 L C 2.150 178.994 176.870 -0.044 0.000 1.094 269 L CA 1.667 56.539 54.840 0.052 0.000 0.790 269 L CB -0.670 41.483 42.059 0.157 0.000 0.932 269 L HN 0.154 nan 8.230 nan 0.000 0.447 270 K N -0.423 119.849 120.400 -0.214 0.000 2.097 270 K HA -0.158 4.162 4.320 0.000 0.000 0.206 270 K C 1.599 178.067 176.600 -0.221 0.000 1.049 270 K CA 1.329 57.340 56.287 -0.460 0.000 0.933 270 K CB -0.090 32.093 32.500 -0.528 0.000 0.717 270 K HN 0.266 nan 8.250 nan 0.000 0.442 271 D N 0.689 121.014 120.400 -0.125 0.000 2.117 271 D HA -0.125 4.515 4.640 0.000 0.000 0.198 271 D C 1.875 178.145 176.300 -0.050 0.000 0.982 271 D CA 1.248 55.203 54.000 -0.075 0.000 0.828 271 D CB -0.050 40.722 40.800 -0.047 0.000 0.967 271 D HN 0.183 nan 8.370 nan 0.000 0.464 272 M N 0.105 119.685 119.600 -0.033 0.000 2.117 272 M HA -0.121 4.359 4.480 0.000 0.000 0.262 272 M C 2.286 178.582 176.300 -0.007 0.000 1.065 272 M CA 0.863 56.157 55.300 -0.009 0.000 1.114 272 M CB -0.067 32.540 32.600 0.012 0.000 1.361 272 M HN -0.116 nan 8.290 nan 0.000 0.408 273 V N 0.240 120.147 119.914 -0.012 0.000 2.515 273 V HA -0.193 3.927 4.120 0.000 0.000 0.250 273 V C 2.517 178.597 176.094 -0.022 0.000 1.058 273 V CA 1.837 64.137 62.300 -0.000 0.000 1.064 273 V CB -1.099 30.745 31.823 0.036 0.000 0.675 273 V HN 0.509 nan 8.190 nan 0.000 0.461 274 A N -0.577 122.213 122.820 -0.049 0.000 2.066 274 A HA -0.141 4.179 4.320 0.000 0.000 0.218 274 A C 2.118 179.685 177.584 -0.027 0.000 1.157 274 A CA 1.276 53.286 52.037 -0.045 0.000 0.670 274 A CB -0.310 18.652 19.000 -0.064 0.000 0.804 274 A HN 0.615 nan 8.150 nan 0.000 0.453 275 E N -0.516 119.671 120.200 -0.022 0.000 2.230 275 E HA 0.025 4.375 4.350 0.000 0.000 0.192 275 E C 1.556 178.153 176.600 -0.005 0.000 0.987 275 E CA 0.551 56.944 56.400 -0.012 0.000 0.841 275 E CB -0.080 29.615 29.700 -0.009 0.000 0.783 275 E HN 0.701 nan 8.360 nan 0.000 0.481 276 I N 0.999 121.566 120.570 -0.004 0.000 2.406 276 I HA -0.174 3.996 4.170 0.000 0.000 0.249 276 I C 2.437 178.553 176.117 -0.001 0.000 1.122 276 I CA 0.781 62.081 61.300 0.001 0.000 1.431 276 I CB -0.033 37.969 38.000 0.003 0.000 1.087 276 I HN -0.057 nan 8.210 nan 0.000 0.424 277 K N 1.530 121.927 120.400 -0.006 0.000 2.283 277 K HA -0.093 4.228 4.320 0.000 0.000 0.202 277 K C 2.053 178.650 176.600 -0.006 0.000 1.048 277 K CA 1.061 57.344 56.287 -0.007 0.000 0.948 277 K CB 0.047 32.541 32.500 -0.011 0.000 0.742 277 K HN 0.293 nan 8.250 nan 0.000 0.458 278 A N 0.740 123.556 122.820 -0.006 0.000 2.066 278 A HA -0.103 4.217 4.320 0.000 0.000 0.218 278 A C 1.967 179.550 177.584 -0.001 0.000 1.157 278 A CA 1.717 53.751 52.037 -0.005 0.000 0.670 278 A CB -0.340 18.656 19.000 -0.007 0.000 0.804 278 A HN 0.481 nan 8.150 nan 0.000 0.453 279 S N -2.221 113.480 115.700 0.001 0.000 2.470 279 S HA 0.360 4.830 4.470 0.000 0.000 0.225 279 S C 1.454 176.058 174.600 0.006 0.000 1.006 279 S CA 1.122 59.325 58.200 0.005 0.000 0.934 279 S CB -0.138 63.067 63.200 0.009 0.000 0.778 279 S HN 1.829 nan 8.310 nan 0.000 0.517 280 G N 0.690 109.492 108.800 0.004 0.000 2.148 280 G HA2 0.018 3.978 3.960 0.000 0.000 0.203 280 G HA3 0.018 3.978 3.960 0.000 0.000 0.203 280 G C 0.107 175.010 174.900 0.007 0.000 0.993 280 G CA -0.219 44.884 45.100 0.004 0.000 0.661 280 G HN 1.189 nan 8.290 nan 0.000 0.518 281 A N 0.506 123.331 122.820 0.008 0.000 2.366 281 A HA 0.625 4.945 4.320 0.000 0.000 0.272 281 A C 1.017 178.602 177.584 0.001 0.000 1.135 281 A CA 0.514 52.557 52.037 0.010 0.000 0.804 281 A CB 0.288 19.297 19.000 0.016 0.000 1.064 281 A HN 0.977 nan 8.150 nan 0.000 0.499 282 N N 1.195 119.895 118.700 0.000 0.000 2.177 282 N HA 0.189 4.929 4.740 0.000 0.000 0.218 282 N C -0.766 174.728 175.510 -0.027 0.000 1.182 282 N CA 0.001 53.044 53.050 -0.011 0.000 0.882 282 N CB 0.593 39.077 38.487 -0.006 0.000 1.052 282 N HN 0.222 nan 8.380 nan 0.000 0.519 283 V N 1.081 120.978 119.914 -0.028 0.000 2.733 283 V HA 0.492 4.612 4.120 0.000 0.000 0.306 283 V C -1.590 174.449 176.094 -0.092 0.000 1.084 283 V CA -0.910 61.343 62.300 -0.078 0.000 0.905 283 V CB 2.356 34.156 31.823 -0.038 0.000 1.010 283 V HN 0.162 nan 8.190 nan 0.000 0.424 284 L N 5.040 126.128 121.223 -0.224 0.000 2.409 284 L HA 0.721 5.061 4.340 0.000 0.000 0.272 284 L C -1.670 175.000 176.870 -0.333 0.000 0.980 284 L CA 0.038 54.781 54.840 -0.161 0.000 0.826 284 L CB 1.691 43.696 42.059 -0.090 0.000 1.268 284 L HN 0.501 nan 8.230 nan 0.000 0.407 285 F N 4.994 124.952 119.950 0.013 0.000 2.382 285 F HA 0.447 4.974 4.527 0.000 0.000 0.361 285 F C 0.011 175.817 175.800 0.010 0.000 1.109 285 F CA -0.391 57.615 58.000 0.011 0.000 1.031 285 F CB 1.419 40.424 39.000 0.008 0.000 1.234 285 F HN 0.507 nan 8.300 nan 0.000 0.445 286 C N 4.370 123.762 119.300 0.153 0.000 2.341 286 C HA 0.247 4.707 4.460 0.000 0.000 0.338 286 C C 1.540 176.589 174.990 0.097 0.000 1.257 286 C CA -0.273 58.804 59.018 0.099 0.000 1.883 286 C CB 0.974 28.746 27.740 0.054 0.000 2.334 286 C HN 1.038 nan 8.230 nan 0.000 0.524 287 Q N 2.654 122.497 119.800 0.073 0.000 2.163 287 Q HA 0.039 4.379 4.340 0.000 0.000 0.198 287 Q C 0.939 176.964 176.000 0.042 0.000 0.954 287 Q CA 1.043 56.879 55.803 0.055 0.000 0.851 287 Q CB 0.216 28.977 28.738 0.039 0.000 0.928 287 Q HN 0.653 nan 8.270 nan 0.000 0.459 288 K N -0.224 120.199 120.400 0.038 0.000 2.720 288 K HA 0.356 4.676 4.320 0.000 0.000 0.281 288 K C 0.147 176.766 176.600 0.032 0.000 1.019 288 K CA -0.025 56.280 56.287 0.031 0.000 1.088 288 K CB -0.341 32.175 32.500 0.027 0.000 1.449 288 K HN 0.149 nan 8.250 nan 0.000 0.542 289 G N 0.304 109.120 108.800 0.027 0.000 2.476 289 G HA2 0.528 4.488 3.960 0.000 0.000 0.286 289 G HA3 0.528 4.488 3.960 0.000 0.000 0.286 289 G C -0.422 174.494 174.900 0.026 0.000 1.177 289 G CA -0.573 44.542 45.100 0.025 0.000 0.870 289 G HN 0.314 nan 8.290 nan 0.000 0.528 290 I N 1.147 121.732 120.570 0.025 0.000 2.389 290 I HA 0.168 4.338 4.170 0.000 0.000 0.288 290 I C -0.240 175.894 176.117 0.027 0.000 0.999 290 I CA -0.813 60.503 61.300 0.027 0.000 1.129 290 I CB 1.861 39.874 38.000 0.022 0.000 1.288 290 I HN 0.370 nan 8.210 nan 0.000 0.444 291 D N 4.408 124.829 120.400 0.035 0.000 2.400 291 D HA -0.078 4.562 4.640 0.000 0.000 0.238 291 D C 0.673 176.992 176.300 0.032 0.000 1.157 291 D CA 0.341 54.362 54.000 0.035 0.000 0.889 291 D CB 1.287 42.115 40.800 0.047 0.000 1.199 291 D HN 0.516 nan 8.370 nan 0.000 0.436 292 D N 2.118 122.529 120.400 0.018 0.000 2.144 292 D HA -0.110 4.530 4.640 0.000 0.000 0.199 292 D C 2.090 178.385 176.300 -0.009 0.000 0.984 292 D CA 0.718 54.720 54.000 0.002 0.000 0.834 292 D CB 0.086 40.880 40.800 -0.010 0.000 0.955 292 D HN 0.419 nan 8.370 nan 0.000 0.465 293 L N 0.245 121.465 121.223 -0.005 0.000 2.046 293 L HA -0.163 4.177 4.340 0.000 0.000 0.208 293 L C 2.479 179.344 176.870 -0.008 0.000 1.077 293 L CA 1.296 56.108 54.840 -0.046 0.000 0.747 293 L CB -0.349 41.744 42.059 0.056 0.000 0.896 293 L HN -0.018 nan 8.230 nan 0.000 0.432 294 A N -0.797 122.093 122.820 0.117 0.000 2.015 294 A HA -0.195 4.125 4.320 0.000 0.000 0.219 294 A C 2.193 179.836 177.584 0.097 0.000 1.163 294 A CA 1.126 53.273 52.037 0.183 0.000 0.646 294 A CB -0.318 18.764 19.000 0.138 0.000 0.806 294 A HN 0.485 nan 8.150 nan 0.000 0.448 295 Q N -1.321 118.505 119.800 0.043 0.000 2.119 295 Q HA -0.182 4.158 4.340 0.000 0.000 0.201 295 Q C 2.093 178.093 176.000 0.001 0.000 0.972 295 Q CA 1.389 57.202 55.803 0.017 0.000 0.847 295 Q CB -0.338 28.406 28.738 0.010 0.000 0.903 295 Q HN 0.914 nan 8.270 nan 0.000 0.433 296 H N -0.393 118.596 119.070 -0.134 0.000 2.389 296 H HA -0.136 4.420 4.556 0.000 0.000 0.299 296 H C 1.278 176.505 175.328 -0.168 0.000 1.081 296 H CA 1.361 57.287 56.048 -0.204 0.000 1.345 296 H CB 0.181 29.737 29.762 -0.343 0.000 1.393 296 H HN 0.281 nan 8.280 nan 0.000 0.520 297 Y N 0.689 120.937 120.300 -0.087 0.000 2.263 297 Y HA -0.086 4.464 4.550 0.000 0.000 0.292 297 Y C 2.905 178.732 175.900 -0.122 0.000 1.130 297 Y CA 0.523 58.545 58.100 -0.130 0.000 1.179 297 Y CB -0.532 37.921 38.460 -0.012 0.000 0.998 297 Y HN 0.104 nan 8.280 nan 0.000 0.532 298 L N -0.725 120.536 121.223 0.064 0.000 2.046 298 L HA -0.243 4.097 4.340 0.000 0.000 0.208 298 L C 2.608 179.454 176.870 -0.040 0.000 1.077 298 L CA 1.332 56.178 54.840 0.009 0.000 0.747 298 L CB -0.753 41.309 42.059 0.004 0.000 0.896 298 L HN 0.219 nan 8.230 nan 0.000 0.432 299 A N -0.584 122.189 122.820 -0.078 0.000 2.015 299 A HA -0.221 4.099 4.320 0.000 0.000 0.219 299 A C 2.367 179.886 177.584 -0.108 0.000 1.163 299 A CA 1.592 53.576 52.037 -0.089 0.000 0.646 299 A CB -0.362 18.585 19.000 -0.087 0.000 0.806 299 A HN 0.320 nan 8.150 nan 0.000 0.448 300 K N -0.397 119.905 120.400 -0.164 0.000 2.155 300 K HA -0.080 4.240 4.320 0.000 0.000 0.203 300 K C 1.321 177.885 176.600 -0.060 0.000 1.052 300 K CA 1.107 57.309 56.287 -0.140 0.000 0.948 300 K CB 0.013 32.392 32.500 -0.202 0.000 0.728 300 K HN 0.401 nan 8.250 nan 0.000 0.448 301 E N -0.705 119.471 120.200 -0.040 0.000 2.371 301 E HA -0.013 4.337 4.350 0.000 0.000 0.194 301 E C 0.974 177.559 176.600 -0.024 0.000 1.012 301 E CA 0.899 57.286 56.400 -0.022 0.000 0.860 301 E CB 0.599 30.293 29.700 -0.010 0.000 0.811 301 E HN 0.564 nan 8.360 nan 0.000 0.502 302 G N 1.724 110.504 108.800 -0.032 0.000 2.141 302 G HA2 -0.251 3.709 3.960 0.000 0.000 0.231 302 G HA3 -0.251 3.709 3.960 0.000 0.000 0.231 302 G C 0.241 175.123 174.900 -0.031 0.000 0.984 302 G CA -0.016 45.067 45.100 -0.029 0.000 0.660 302 G HN 0.216 nan 8.290 nan 0.000 0.525 303 I N 1.714 122.263 120.570 -0.034 0.000 2.312 303 I HA 0.321 4.491 4.170 0.000 0.000 0.291 303 I C 0.792 176.872 176.117 -0.061 0.000 1.031 303 I CA -0.932 60.343 61.300 -0.041 0.000 1.293 303 I CB 1.469 39.449 38.000 -0.032 0.000 1.403 303 I HN -0.119 nan 8.210 nan 0.000 0.484 304 V N 6.551 126.418 119.914 -0.078 0.000 2.470 304 V HA 0.470 4.590 4.120 0.000 0.000 0.276 304 V C 0.628 176.613 176.094 -0.180 0.000 1.040 304 V CA -0.137 62.097 62.300 -0.110 0.000 1.008 304 V CB 0.573 32.331 31.823 -0.108 0.000 0.990 304 V HN 0.857 nan 8.190 nan 0.000 0.477 305 A N 4.450 127.168 122.820 -0.171 0.000 2.454 305 A HA 0.995 5.315 4.320 0.000 0.000 0.302 305 A C -0.386 177.080 177.584 -0.197 0.000 1.079 305 A CA -0.357 51.556 52.037 -0.206 0.000 0.731 305 A CB 2.000 20.935 19.000 -0.109 0.000 1.299 305 A HN 1.377 nan 8.150 nan 0.000 0.413 306 A N 1.447 124.139 122.820 -0.212 0.000 2.381 306 A HA 0.722 5.042 4.320 0.000 0.000 0.299 306 A C -0.211 177.381 177.584 0.013 0.000 1.049 306 A CA -0.722 51.266 52.037 -0.083 0.000 0.715 306 A CB 0.899 19.866 19.000 -0.055 0.000 1.222 306 A HN 1.153 nan 8.150 nan 0.000 0.428 307 R N 1.722 122.239 120.500 0.027 0.000 2.598 307 R HA 0.755 5.095 4.340 0.000 0.000 0.279 307 R C -0.444 175.887 176.300 0.053 0.000 0.984 307 R CA -0.792 55.331 56.100 0.039 0.000 0.999 307 R CB 0.652 30.967 30.300 0.024 0.000 1.114 307 R HN 0.662 nan 8.270 nan 0.000 0.493 308 R N 0.169 120.699 120.500 0.050 0.000 3.127 308 R HA -0.131 4.209 4.340 0.000 0.000 0.247 308 R C -0.770 175.563 176.300 0.054 0.000 0.896 308 R CA 0.507 56.634 56.100 0.044 0.000 0.624 308 R CB -1.647 28.672 30.300 0.032 0.000 1.154 308 R HN 0.434 nan 8.270 nan 0.000 0.474 309 V N 2.199 122.157 119.914 0.074 0.000 2.546 309 V HA 0.111 4.231 4.120 0.000 0.000 0.284 309 V C 1.151 177.265 176.094 0.034 0.000 1.050 309 V CA -0.474 61.871 62.300 0.074 0.000 0.981 309 V CB 1.499 33.398 31.823 0.128 0.000 0.990 309 V HN 0.153 nan 8.190 nan 0.000 0.474 310 K N 3.273 123.681 120.400 0.012 0.000 2.485 310 K HA -0.015 4.305 4.320 0.000 0.000 0.277 310 K C 1.253 177.847 176.600 -0.010 0.000 0.990 310 K CA 0.214 56.500 56.287 -0.002 0.000 0.994 310 K CB 0.472 32.965 32.500 -0.013 0.000 0.906 310 K HN 0.611 nan 8.250 nan 0.000 0.488 311 K N 1.625 122.021 120.400 -0.007 0.000 2.152 311 K HA -0.172 4.148 4.320 0.000 0.000 0.206 311 K C 1.628 178.215 176.600 -0.021 0.000 1.048 311 K CA 1.862 58.144 56.287 -0.009 0.000 0.933 311 K CB 0.133 32.630 32.500 -0.005 0.000 0.721 311 K HN 0.623 nan 8.250 nan 0.000 0.447 312 S N 0.108 115.792 115.700 -0.026 0.000 2.414 312 S HA -0.073 4.397 4.470 0.000 0.000 0.227 312 S C 1.416 175.984 174.600 -0.053 0.000 1.022 312 S CA 0.896 59.075 58.200 -0.035 0.000 0.958 312 S CB -0.040 63.141 63.200 -0.031 0.000 0.797 312 S HN 0.257 nan 8.310 nan 0.000 0.493 313 D N 1.281 121.643 120.400 -0.063 0.000 2.224 313 D HA 0.090 4.730 4.640 0.000 0.000 0.205 313 D C 1.903 178.126 176.300 -0.127 0.000 0.965 313 D CA 0.757 54.696 54.000 -0.102 0.000 0.852 313 D CB -0.162 40.574 40.800 -0.106 0.000 0.947 313 D HN 0.318 nan 8.370 nan 0.000 0.494 314 M N 0.409 119.957 119.600 -0.086 0.000 2.175 314 M HA -0.081 4.399 4.480 0.000 0.000 0.264 314 M C 1.827 178.086 176.300 -0.069 0.000 1.063 314 M CA 1.153 56.406 55.300 -0.077 0.000 1.119 314 M CB -0.696 31.888 32.600 -0.026 0.000 1.377 314 M HN 0.064 nan 8.290 nan 0.000 0.415 315 E N -0.133 120.034 120.200 -0.055 0.000 2.208 315 E HA -0.122 4.228 4.350 0.000 0.000 0.193 315 E C 2.099 178.665 176.600 -0.057 0.000 0.988 315 E CA 0.584 56.958 56.400 -0.044 0.000 0.828 315 E CB 0.123 29.804 29.700 -0.033 0.000 0.763 315 E HN 0.359 nan 8.360 nan 0.000 0.478 316 K N 0.709 121.063 120.400 -0.077 0.000 2.025 316 K HA -0.086 4.234 4.320 0.000 0.000 0.207 316 K C 2.249 178.787 176.600 -0.103 0.000 1.049 316 K CA 0.782 57.017 56.287 -0.088 0.000 0.933 316 K CB -0.346 32.091 32.500 -0.106 0.000 0.714 316 K HN 0.177 nan 8.250 nan 0.000 0.438 317 L N 0.773 121.910 121.223 -0.144 0.000 2.083 317 L HA -0.166 4.174 4.340 0.000 0.000 0.209 317 L C 2.570 179.388 176.870 -0.086 0.000 1.083 317 L CA 1.174 55.916 54.840 -0.163 0.000 0.752 317 L CB -0.541 41.346 42.059 -0.286 0.000 0.899 317 L HN 0.135 nan 8.230 nan 0.000 0.433 318 A N -0.102 122.680 122.820 -0.064 0.000 1.933 318 A HA -0.193 4.127 4.320 0.000 0.000 0.218 318 A C 2.285 179.857 177.584 -0.020 0.000 1.175 318 A CA 1.555 53.575 52.037 -0.028 0.000 0.628 318 A CB -0.250 18.738 19.000 -0.020 0.000 0.814 318 A HN 0.341 nan 8.150 nan 0.000 0.444 319 K N -0.766 119.615 120.400 -0.031 0.000 2.314 319 K HA 0.214 4.534 4.320 0.000 0.000 0.198 319 K C 2.076 178.661 176.600 -0.025 0.000 1.045 319 K CA 0.687 56.960 56.287 -0.023 0.000 0.988 319 K CB -0.024 32.459 32.500 -0.029 0.000 0.783 319 K HN 0.423 nan 8.250 nan 0.000 0.484 320 A N 1.226 124.024 122.820 -0.037 0.000 1.887 320 A HA -0.078 4.242 4.320 0.000 0.000 0.212 320 A C 2.221 179.796 177.584 -0.014 0.000 1.198 320 A CA 1.582 53.597 52.037 -0.038 0.000 0.628 320 A CB -0.548 18.418 19.000 -0.057 0.000 0.847 320 A HN 0.337 nan 8.150 nan 0.000 0.449 321 T N -4.443 110.107 114.554 -0.007 0.000 3.044 321 T HA 0.400 4.750 4.350 0.000 0.000 0.255 321 T C 1.256 175.974 174.700 0.030 0.000 1.073 321 T CA 1.155 63.265 62.100 0.017 0.000 1.125 321 T CB 0.055 68.937 68.868 0.023 0.000 0.908 321 T HN 1.760 nan 8.240 nan 0.000 0.480 322 G N 1.144 109.959 108.800 0.025 0.000 2.356 322 G HA2 0.246 4.207 3.960 0.000 0.000 0.233 322 G HA3 0.246 4.207 3.960 0.000 0.000 0.233 322 G C 0.022 174.939 174.900 0.028 0.000 1.105 322 G CA -0.205 44.914 45.100 0.033 0.000 0.861 322 G HN 1.020 nan 8.290 nan 0.000 0.493 323 A N -0.289 122.545 122.820 0.023 0.000 2.352 323 A HA 0.927 5.247 4.320 0.000 0.000 0.299 323 A C 0.043 177.639 177.584 0.021 0.000 1.160 323 A CA -0.795 51.258 52.037 0.027 0.000 0.933 323 A CB 1.041 20.063 19.000 0.037 0.000 1.387 323 A HN 0.366 nan 8.150 nan 0.000 0.487 324 N N -0.564 118.150 118.700 0.023 0.000 2.258 324 N HA 0.405 5.145 4.740 0.000 0.000 0.299 324 N C -1.390 174.133 175.510 0.022 0.000 1.047 324 N CA -0.366 52.695 53.050 0.019 0.000 0.814 324 N CB 1.999 40.497 38.487 0.017 0.000 1.413 324 N HN 0.267 nan 8.380 nan 0.000 0.478 325 V N 3.284 123.208 119.914 0.017 0.000 2.370 325 V HA 0.211 4.331 4.120 0.000 0.000 0.257 325 V C 0.384 176.490 176.094 0.020 0.000 1.064 325 V CA -0.241 62.071 62.300 0.020 0.000 0.975 325 V CB -0.363 31.468 31.823 0.013 0.000 1.067 325 V HN 0.428 nan 8.190 nan 0.000 0.485 326 I N 4.842 125.427 120.570 0.024 0.000 2.336 326 I HA 0.272 4.443 4.170 0.000 0.000 0.292 326 I C 1.206 177.336 176.117 0.021 0.000 0.991 326 I CA 0.037 61.350 61.300 0.021 0.000 1.227 326 I CB 1.334 39.347 38.000 0.022 0.000 1.366 326 I HN 0.527 nan 8.210 nan 0.000 0.466 327 T N 3.346 117.910 114.554 0.017 0.000 3.086 327 T HA 0.051 4.402 4.350 0.000 0.000 0.250 327 T C 0.683 175.392 174.700 0.016 0.000 1.074 327 T CA 0.178 62.288 62.100 0.017 0.000 0.988 327 T CB -0.368 68.508 68.868 0.014 0.000 0.988 327 T HN 0.449 nan 8.240 nan 0.000 0.530 328 N N 0.765 119.475 118.700 0.015 0.000 2.504 328 N HA 0.362 5.102 4.740 0.000 0.000 0.280 328 N C 0.312 175.830 175.510 0.014 0.000 1.052 328 N CA -0.537 52.521 53.050 0.014 0.000 0.887 328 N CB 0.980 39.474 38.487 0.011 0.000 1.323 328 N HN 0.028 nan 8.380 nan 0.000 0.509 329 I N 2.536 123.115 120.570 0.014 0.000 2.756 329 I HA -0.112 4.058 4.170 0.000 0.000 0.262 329 I C 1.356 177.478 176.117 0.009 0.000 1.225 329 I CA 0.916 62.224 61.300 0.014 0.000 1.472 329 I CB 0.279 38.288 38.000 0.015 0.000 1.094 329 I HN 0.425 nan 8.210 nan 0.000 0.454 330 K N -0.143 120.262 120.400 0.008 0.000 2.217 330 K HA -0.116 4.204 4.320 0.000 0.000 0.202 330 K C 1.084 177.687 176.600 0.005 0.000 1.051 330 K CA 0.868 57.158 56.287 0.005 0.000 0.952 330 K CB -0.210 32.293 32.500 0.004 0.000 0.736 330 K HN 0.382 nan 8.250 nan 0.000 0.453 331 D N 0.824 121.229 120.400 0.007 0.000 2.424 331 D HA 0.000 4.640 4.640 0.000 0.000 0.220 331 D C -0.496 175.809 176.300 0.009 0.000 1.150 331 D CA -0.217 53.787 54.000 0.007 0.000 0.831 331 D CB 0.261 41.065 40.800 0.008 0.000 0.981 331 D HN -0.058 nan 8.370 nan 0.000 0.500 332 L N 1.658 122.887 121.223 0.010 0.000 2.536 332 L HA 0.086 4.426 4.340 0.000 0.000 0.282 332 L C 0.233 177.109 176.870 0.010 0.000 1.147 332 L CA 0.271 55.119 54.840 0.012 0.000 0.936 332 L CB 0.450 42.517 42.059 0.013 0.000 1.279 332 L HN -0.234 nan 8.230 nan 0.000 0.461 333 S N 3.122 118.829 115.700 0.010 0.000 2.645 333 S HA 0.558 5.028 4.470 0.000 0.000 0.266 333 S C 1.369 175.975 174.600 0.010 0.000 1.258 333 S CA -0.056 58.149 58.200 0.009 0.000 0.990 333 S CB 1.404 64.609 63.200 0.008 0.000 0.967 333 S HN 0.799 nan 8.310 nan 0.000 0.556 334 A N 1.527 124.352 122.820 0.008 0.000 2.119 334 A HA 0.080 4.400 4.320 0.000 0.000 0.216 334 A C 1.709 179.300 177.584 0.011 0.000 1.152 334 A CA 0.816 52.858 52.037 0.009 0.000 0.708 334 A CB -0.416 18.588 19.000 0.007 0.000 0.805 334 A HN 0.792 nan 8.150 nan 0.000 0.460 335 Q N 0.040 119.847 119.800 0.011 0.000 2.392 335 Q HA 0.048 4.388 4.340 0.000 0.000 0.203 335 Q C 0.088 176.096 176.000 0.014 0.000 0.917 335 Q CA 0.578 56.388 55.803 0.011 0.000 0.939 335 Q CB 0.315 29.058 28.738 0.008 0.000 1.063 335 Q HN 0.473 nan 8.270 nan 0.000 0.516 336 D N -0.228 120.182 120.400 0.016 0.000 2.325 336 D HA 0.085 4.725 4.640 0.000 0.000 0.225 336 D C -0.287 176.029 176.300 0.026 0.000 1.096 336 D CA 0.203 54.215 54.000 0.020 0.000 0.844 336 D CB 0.290 41.101 40.800 0.019 0.000 0.925 336 D HN 0.234 nan 8.370 nan 0.000 0.513 337 L N 0.260 121.499 121.223 0.027 0.000 2.325 337 L HA 0.524 4.864 4.340 0.000 0.000 0.279 337 L C 1.247 178.139 176.870 0.037 0.000 1.054 337 L CA -0.900 53.961 54.840 0.035 0.000 0.804 337 L CB 1.596 43.674 42.059 0.032 0.000 1.200 337 L HN -0.124 nan 8.230 nan 0.000 0.436 338 G N 0.296 109.124 108.800 0.046 0.000 2.522 338 G HA2 0.402 4.362 3.960 0.000 0.000 0.304 338 G HA3 0.402 4.362 3.960 0.000 0.000 0.304 338 G C -1.565 173.364 174.900 0.048 0.000 1.210 338 G CA -0.120 45.007 45.100 0.045 0.000 0.960 338 G HN 0.621 nan 8.290 nan 0.000 0.497 339 D N -1.118 119.309 120.400 0.046 0.000 2.686 339 D HA 0.587 5.227 4.640 0.000 0.000 0.249 339 D C -0.434 175.895 176.300 0.048 0.000 1.260 339 D CA -0.102 53.925 54.000 0.045 0.000 0.910 339 D CB 1.613 42.436 40.800 0.038 0.000 1.323 339 D HN 0.576 nan 8.370 nan 0.000 0.561 340 A N 1.910 124.761 122.820 0.053 0.000 2.414 340 A HA 0.652 4.972 4.320 0.000 0.000 0.306 340 A C 1.068 178.683 177.584 0.052 0.000 1.054 340 A CA -0.335 51.735 52.037 0.054 0.000 0.724 340 A CB 1.679 20.719 19.000 0.066 0.000 1.267 340 A HN 0.582 nan 8.150 nan 0.000 0.418 341 G N 0.116 108.944 108.800 0.047 0.000 2.484 341 G HA2 0.331 4.291 3.960 0.000 0.000 0.218 341 G HA3 0.331 4.291 3.960 0.000 0.000 0.218 341 G C 0.268 175.194 174.900 0.044 0.000 1.130 341 G CA 0.791 45.916 45.100 0.041 0.000 0.784 341 G HN 0.662 nan 8.290 nan 0.000 0.543 342 L N 0.362 121.619 121.223 0.057 0.000 2.543 342 L HA 0.493 4.833 4.340 0.000 0.000 0.265 342 L C -1.617 175.308 176.870 0.091 0.000 0.945 342 L CA -0.702 54.175 54.840 0.062 0.000 0.869 342 L CB 2.726 44.818 42.059 0.054 0.000 1.294 342 L HN -0.172 nan 8.230 nan 0.000 0.405 343 V N 3.627 123.595 119.914 0.091 0.000 2.443 343 V HA 0.553 4.673 4.120 0.000 0.000 0.293 343 V C -0.595 175.559 176.094 0.100 0.000 1.021 343 V CA -0.473 61.902 62.300 0.126 0.000 0.848 343 V CB 1.721 33.621 31.823 0.129 0.000 0.998 343 V HN 0.745 nan 8.190 nan 0.000 0.424 344 E N 3.101 123.378 120.200 0.129 0.000 2.331 344 E HA 0.406 4.756 4.350 0.000 0.000 0.275 344 E C -1.141 175.527 176.600 0.113 0.000 0.895 344 E CA -0.675 55.770 56.400 0.075 0.000 0.753 344 E CB 2.372 32.079 29.700 0.011 0.000 1.216 344 E HN 0.754 nan 8.360 nan 0.000 0.434 345 E N 4.504 124.744 120.200 0.068 0.000 2.014 345 E HA 0.223 4.573 4.350 0.000 0.000 0.275 345 E C -0.714 175.902 176.600 0.026 0.000 0.997 345 E CA -0.305 56.147 56.400 0.087 0.000 0.804 345 E CB 0.585 30.323 29.700 0.063 0.000 1.090 345 E HN 0.335 nan 8.360 nan 0.000 0.401 346 R N 3.058 123.565 120.500 0.012 0.000 2.674 346 R HA 0.391 4.731 4.340 0.000 0.000 0.266 346 R C -0.206 176.103 176.300 0.013 0.000 1.016 346 R CA -0.814 55.224 56.100 -0.104 0.000 1.062 346 R CB 1.197 31.223 30.300 -0.457 0.000 1.142 346 R HN 0.274 nan 8.270 nan 0.000 0.517 347 K N 1.804 122.196 120.400 -0.013 0.000 2.356 347 K HA 0.248 4.568 4.320 0.000 0.000 0.243 347 K C -0.916 175.704 176.600 0.032 0.000 1.072 347 K CA -0.431 55.873 56.287 0.029 0.000 1.014 347 K CB 0.629 33.137 32.500 0.013 0.000 1.523 347 K HN 0.255 nan 8.250 nan 0.000 0.455 348 I N 1.632 122.260 120.570 0.098 0.000 2.315 348 I HA 0.006 4.176 4.170 0.000 0.000 0.291 348 I C 0.469 176.639 176.117 0.088 0.000 1.006 348 I CA 0.677 62.042 61.300 0.108 0.000 1.265 348 I CB 1.318 39.462 38.000 0.241 0.000 1.387 348 I HN 0.643 nan 8.210 nan 0.000 0.475 349 S N 5.079 120.812 115.700 0.054 0.000 3.706 349 S HA -0.152 4.318 4.470 0.000 0.000 0.363 349 S C 1.111 175.731 174.600 0.032 0.000 0.999 349 S CA 1.422 59.645 58.200 0.038 0.000 1.143 349 S CB -1.569 61.654 63.200 0.038 0.000 0.902 349 S HN 2.082 nan 8.310 nan 0.000 0.476 350 G N 0.726 109.543 108.800 0.029 0.000 3.444 350 G HA2 -0.300 3.660 3.960 0.000 0.000 0.222 350 G HA3 -0.300 3.660 3.960 0.000 0.000 0.222 350 G C -0.214 174.705 174.900 0.030 0.000 1.358 350 G CA 0.370 45.484 45.100 0.024 0.000 0.880 350 G HN 0.764 nan 8.290 nan 0.000 0.555 351 D N 1.841 122.263 120.400 0.038 0.000 2.372 351 D HA 0.492 5.132 4.640 0.000 0.000 0.243 351 D C 0.752 177.092 176.300 0.065 0.000 1.121 351 D CA 0.847 54.873 54.000 0.043 0.000 0.898 351 D CB 1.406 42.228 40.800 0.038 0.000 1.202 351 D HN 0.693 nan 8.370 nan 0.000 0.428 352 S N 1.400 117.138 115.700 0.063 0.000 2.442 352 S HA 0.684 5.154 4.470 0.000 0.000 0.297 352 S C -0.066 174.598 174.600 0.106 0.000 1.131 352 S CA -0.836 57.415 58.200 0.084 0.000 1.092 352 S CB 1.213 64.448 63.200 0.059 0.000 0.998 352 S HN 0.377 nan 8.310 nan 0.000 0.478 353 M N 2.416 122.120 119.600 0.173 0.000 2.691 353 M HA 0.521 5.001 4.480 0.000 0.000 0.293 353 M C -1.091 175.364 176.300 0.259 0.000 1.259 353 M CA -0.748 54.654 55.300 0.170 0.000 0.827 353 M CB 2.190 34.855 32.600 0.107 0.000 1.753 353 M HN 0.578 nan 8.290 nan 0.000 0.465 354 I N 1.772 122.464 120.570 0.204 0.000 2.304 354 I HA 0.236 4.406 4.170 0.000 0.000 0.291 354 I C -1.200 175.067 176.117 0.250 0.000 1.018 354 I CA -0.254 61.204 61.300 0.264 0.000 1.260 354 I CB 0.404 38.576 38.000 0.287 0.000 1.390 354 I HN 0.386 nan 8.210 nan 0.000 0.475 355 F N 6.355 126.348 119.950 0.072 0.000 2.375 355 F HA 0.231 4.758 4.527 0.000 0.000 0.362 355 F C 0.326 176.165 175.800 0.065 0.000 1.129 355 F CA -0.481 57.549 58.000 0.050 0.000 1.154 355 F CB 0.962 39.981 39.000 0.033 0.000 1.205 355 F HN 0.072 nan 8.300 nan 0.000 0.513 356 V N 5.191 125.193 119.914 0.147 0.000 2.284 356 V HA 0.247 4.367 4.120 0.000 0.000 0.260 356 V C -0.017 176.124 176.094 0.079 0.000 1.084 356 V CA -0.415 61.958 62.300 0.120 0.000 0.894 356 V CB -0.187 31.673 31.823 0.061 0.000 1.119 356 V HN 0.777 nan 8.190 nan 0.000 0.484 357 E N 2.484 122.750 120.200 0.111 0.000 2.428 357 E HA 0.625 4.975 4.350 0.000 0.000 0.259 357 E C -0.579 176.061 176.600 0.066 0.000 0.930 357 E CA -1.053 55.399 56.400 0.087 0.000 0.823 357 E CB 1.304 31.085 29.700 0.135 0.000 1.403 357 E HN 0.324 nan 8.360 nan 0.000 0.415 358 E N -0.705 119.527 120.200 0.052 0.000 2.320 358 E HA -0.184 4.166 4.350 0.000 0.000 0.234 358 E C -0.819 175.803 176.600 0.037 0.000 1.183 358 E CA 0.239 56.664 56.400 0.041 0.000 0.713 358 E CB -1.919 27.806 29.700 0.041 0.000 1.226 358 E HN 0.440 nan 8.360 nan 0.000 0.382 359 C N 0.622 119.940 119.300 0.030 0.000 2.520 359 C HA 0.196 4.656 4.460 0.000 0.000 0.376 359 C C 1.980 176.992 174.990 0.036 0.000 1.268 359 C CA -0.838 58.199 59.018 0.031 0.000 2.414 359 C CB 1.129 28.881 27.740 0.020 0.000 2.521 359 C HN 0.380 nan 8.230 nan 0.000 0.618 360 K N 0.624 121.056 120.400 0.053 0.000 1.991 360 K HA -0.026 4.294 4.320 0.000 0.000 0.208 360 K C 0.535 177.205 176.600 0.117 0.000 1.038 360 K CA 1.521 57.853 56.287 0.075 0.000 0.943 360 K CB -0.371 32.173 32.500 0.074 0.000 0.736 360 K HN 0.730 nan 8.250 nan 0.000 0.440 361 H N 1.435 120.507 119.070 0.005 0.000 2.530 361 H HA 0.273 4.829 4.556 0.000 0.000 0.246 361 H C -2.628 172.700 175.328 -0.001 0.000 1.346 361 H CA -2.217 53.832 56.048 0.002 0.000 1.424 361 H CB 0.445 30.208 29.762 0.002 0.000 1.445 361 H HN -0.046 nan 8.280 nan 0.000 0.511 362 P HA 0.206 nan 4.420 nan 0.000 0.285 362 P C 0.246 177.441 177.300 -0.175 0.000 1.259 362 P CA -0.656 62.372 63.100 -0.120 0.000 0.794 362 P CB 1.444 33.092 31.700 -0.087 0.000 0.940 363 K N 0.580 120.918 120.400 -0.103 0.000 2.358 363 K HA 0.400 4.720 4.320 0.000 0.000 0.200 363 K C 0.379 176.940 176.600 -0.065 0.000 1.030 363 K CA 0.039 56.274 56.287 -0.087 0.000 1.097 363 K CB 0.718 33.190 32.500 -0.046 0.000 0.862 363 K HN 0.519 nan 8.250 nan 0.000 0.534 364 A N 0.646 123.428 122.820 -0.064 0.000 2.401 364 A HA 0.716 5.036 4.320 0.000 0.000 0.310 364 A C -1.002 176.545 177.584 -0.061 0.000 1.075 364 A CA -0.566 51.436 52.037 -0.059 0.000 0.746 364 A CB 1.862 20.827 19.000 -0.059 0.000 1.277 364 A HN -0.091 nan 8.150 nan 0.000 0.425 365 V N 0.901 120.780 119.914 -0.057 0.000 2.888 365 V HA 0.583 4.703 4.120 0.000 0.000 0.309 365 V C -0.410 175.651 176.094 -0.054 0.000 1.114 365 V CA -0.413 61.855 62.300 -0.053 0.000 0.940 365 V CB 2.708 34.502 31.823 -0.048 0.000 1.021 365 V HN 0.987 nan 8.190 nan 0.000 0.426 366 T N 5.814 120.334 114.554 -0.056 0.000 2.771 366 T HA 0.505 4.855 4.350 0.000 0.000 0.281 366 T C -0.317 174.355 174.700 -0.046 0.000 0.982 366 T CA -0.445 61.617 62.100 -0.064 0.000 0.978 366 T CB 0.961 69.772 68.868 -0.095 0.000 0.930 366 T HN 0.333 nan 8.240 nan 0.000 0.447 367 M N 3.876 123.452 119.600 -0.041 0.000 2.055 367 M HA 0.316 4.796 4.480 0.000 0.000 0.347 367 M C -0.642 175.641 176.300 -0.028 0.000 1.123 367 M CA -1.055 54.229 55.300 -0.027 0.000 1.035 367 M CB 0.638 33.225 32.600 -0.022 0.000 1.484 367 M HN 0.434 nan 8.290 nan 0.000 0.428 368 L N 6.517 127.730 121.223 -0.018 0.000 2.334 368 L HA 0.398 4.738 4.340 0.000 0.000 0.286 368 L C -0.592 176.279 176.870 0.002 0.000 1.108 368 L CA 0.309 55.142 54.840 -0.011 0.000 0.875 368 L CB -0.225 41.842 42.059 0.012 0.000 1.246 368 L HN 0.515 nan 8.230 nan 0.000 0.439 369 I N 5.664 126.231 120.570 -0.004 0.000 2.337 369 I HA 0.317 4.487 4.170 0.000 0.000 0.291 369 I C 0.291 176.411 176.117 0.005 0.000 1.046 369 I CA -0.158 61.142 61.300 0.001 0.000 1.324 369 I CB 0.254 38.251 38.000 -0.004 0.000 1.409 369 I HN 0.544 nan 8.210 nan 0.000 0.494 370 R N 4.466 124.973 120.500 0.011 0.000 2.803 370 R HA 0.888 5.228 4.340 0.000 0.000 0.276 370 R C -0.265 176.042 176.300 0.012 0.000 0.978 370 R CA -1.003 55.105 56.100 0.014 0.000 0.939 370 R CB 2.357 32.671 30.300 0.023 0.000 1.179 370 R HN 0.782 nan 8.270 nan 0.000 0.472 371 G N -0.779 108.028 108.800 0.012 0.000 2.506 371 G HA2 0.181 4.141 3.960 0.000 0.000 0.292 371 G HA3 0.181 4.141 3.960 0.000 0.000 0.292 371 G C 0.356 175.264 174.900 0.012 0.000 1.425 371 G CA -0.276 44.832 45.100 0.012 0.000 0.788 371 G HN 0.496 nan 8.290 nan 0.000 0.490 372 T N -2.586 111.977 114.554 0.015 0.000 2.896 372 T HA 0.197 4.547 4.350 0.000 0.000 0.263 372 T C 1.357 176.066 174.700 0.016 0.000 1.050 372 T CA 2.002 64.111 62.100 0.015 0.000 1.140 372 T CB -0.369 68.509 68.868 0.016 0.000 0.877 372 T HN 1.370 nan 8.240 nan 0.000 0.457 373 T N -1.292 113.275 114.554 0.022 0.000 2.924 373 T HA 0.570 4.920 4.350 0.000 0.000 0.291 373 T C 0.604 175.307 174.700 0.005 0.000 1.045 373 T CA -0.687 61.428 62.100 0.025 0.000 1.015 373 T CB 2.454 71.356 68.868 0.056 0.000 1.103 373 T HN -0.031 nan 8.240 nan 0.000 0.496 374 E N 0.090 120.266 120.200 -0.040 0.000 2.153 374 E HA -0.111 4.239 4.350 0.000 0.000 0.194 374 E C 1.484 177.994 176.600 -0.149 0.000 0.988 374 E CA 1.617 57.945 56.400 -0.120 0.000 0.811 374 E CB -0.400 29.186 29.700 -0.191 0.000 0.746 374 E HN 0.871 nan 8.360 nan 0.000 0.466 375 H N -1.662 117.411 119.070 0.005 0.000 2.470 375 H HA 0.052 4.608 4.556 0.000 0.000 0.289 375 H C 1.878 177.209 175.328 0.004 0.000 1.033 375 H CA 0.965 57.015 56.048 0.004 0.000 1.331 375 H CB 0.394 30.159 29.762 0.004 0.000 1.414 375 H HN 0.009 nan 8.280 nan 0.000 0.545 376 V N 0.557 120.535 119.914 0.108 0.000 2.307 376 V HA -0.217 3.903 4.120 0.000 0.000 0.245 376 V C 2.227 178.344 176.094 0.037 0.000 1.045 376 V CA 1.623 63.960 62.300 0.062 0.000 1.024 376 V CB -0.367 31.483 31.823 0.045 0.000 0.651 376 V HN 0.397 nan 8.190 nan 0.000 0.449 377 I N -0.071 120.511 120.570 0.019 0.000 2.163 377 I HA -0.298 3.872 4.170 0.000 0.000 0.243 377 I C 2.618 178.738 176.117 0.005 0.000 1.085 377 I CA 1.999 63.301 61.300 0.005 0.000 1.347 377 I CB -0.343 37.651 38.000 -0.011 0.000 1.044 377 I HN 0.396 nan 8.210 nan 0.000 0.408 378 E N 0.443 120.645 120.200 0.004 0.000 2.153 378 E HA -0.286 4.064 4.350 0.000 0.000 0.194 378 E C 1.957 178.572 176.600 0.024 0.000 0.988 378 E CA 1.214 57.619 56.400 0.007 0.000 0.811 378 E CB 0.157 29.859 29.700 0.004 0.000 0.746 378 E HN 0.351 nan 8.360 nan 0.000 0.466 379 E N -0.295 119.927 120.200 0.037 0.000 2.158 379 E HA -0.080 4.270 4.350 0.000 0.000 0.191 379 E C 1.855 178.468 176.600 0.022 0.000 0.982 379 E CA 0.643 57.063 56.400 0.033 0.000 0.823 379 E CB 0.081 29.804 29.700 0.040 0.000 0.766 379 E HN 0.060 nan 8.360 nan 0.000 0.468 380 V N 0.857 120.783 119.914 0.019 0.000 2.515 380 V HA -0.188 3.932 4.120 0.000 0.000 0.250 380 V C 2.297 178.396 176.094 0.009 0.000 1.058 380 V CA 1.571 63.880 62.300 0.014 0.000 1.064 380 V CB -0.739 31.092 31.823 0.012 0.000 0.675 380 V HN 0.444 nan 8.190 nan 0.000 0.461 381 A N -0.040 122.784 122.820 0.007 0.000 1.898 381 A HA -0.198 4.122 4.320 0.000 0.000 0.216 381 A C 2.382 179.967 177.584 0.003 0.000 1.181 381 A CA 1.567 53.605 52.037 0.001 0.000 0.620 381 A CB -0.443 18.556 19.000 -0.003 0.000 0.819 381 A HN 0.481 nan 8.150 nan 0.000 0.442 382 R N -0.723 119.781 120.500 0.008 0.000 2.148 382 R HA 0.016 4.356 4.340 0.000 0.000 0.223 382 R C 2.267 178.572 176.300 0.008 0.000 1.088 382 R CA 0.897 57.002 56.100 0.008 0.000 0.985 382 R CB -0.292 30.015 30.300 0.012 0.000 0.880 382 R HN 0.514 nan 8.270 nan 0.000 0.451 383 A N 0.299 123.124 122.820 0.009 0.000 2.014 383 A HA -0.036 4.284 4.320 0.000 0.000 0.218 383 A C 2.105 179.693 177.584 0.007 0.000 1.163 383 A CA 0.837 52.880 52.037 0.010 0.000 0.652 383 A CB 0.045 19.053 19.000 0.013 0.000 0.808 383 A HN 0.096 nan 8.150 nan 0.000 0.449 384 V N -0.072 119.844 119.914 0.004 0.000 2.725 384 V HA -0.117 4.003 4.120 0.000 0.000 0.247 384 V C 1.889 177.982 176.094 -0.002 0.000 1.058 384 V CA 1.655 63.956 62.300 0.000 0.000 1.080 384 V CB -0.448 31.374 31.823 -0.002 0.000 0.713 384 V HN 0.460 nan 8.190 nan 0.000 0.465 385 D N 0.378 120.777 120.400 -0.001 0.000 2.178 385 D HA -0.152 4.488 4.640 0.000 0.000 0.202 385 D C 1.685 177.984 176.300 -0.001 0.000 0.974 385 D CA 1.358 55.356 54.000 -0.003 0.000 0.841 385 D CB 0.025 40.823 40.800 -0.002 0.000 0.953 385 D HN 0.439 nan 8.370 nan 0.000 0.478 386 D N 0.243 120.644 120.400 0.001 0.000 2.137 386 D HA -0.009 4.631 4.640 0.000 0.000 0.202 386 D C 2.018 178.319 176.300 0.003 0.000 0.970 386 D CA 0.995 54.997 54.000 0.003 0.000 0.837 386 D CB -0.225 40.578 40.800 0.005 0.000 0.981 386 D HN 0.079 nan 8.370 nan 0.000 0.475 387 A N 0.351 123.173 122.820 0.003 0.000 1.930 387 A HA -0.109 4.211 4.320 0.000 0.000 0.217 387 A C 2.339 179.923 177.584 -0.000 0.000 1.175 387 A CA 0.989 53.027 52.037 0.002 0.000 0.627 387 A CB -0.642 18.360 19.000 0.003 0.000 0.815 387 A HN 0.145 nan 8.150 nan 0.000 0.443 388 V N -0.223 119.689 119.914 -0.003 0.000 2.453 388 V HA -0.130 3.990 4.120 0.000 0.000 0.247 388 V C 2.763 178.854 176.094 -0.005 0.000 1.048 388 V CA 1.730 64.027 62.300 -0.006 0.000 1.049 388 V CB -1.215 30.603 31.823 -0.008 0.000 0.672 388 V HN 0.606 nan 8.190 nan 0.000 0.457 389 G N 0.654 109.452 108.800 -0.003 0.000 2.421 389 G HA2 -0.212 3.748 3.960 0.000 0.000 0.216 389 G HA3 -0.212 3.748 3.960 0.000 0.000 0.216 389 G C 1.710 176.609 174.900 -0.001 0.000 1.171 389 G CA 1.539 46.638 45.100 -0.002 0.000 0.775 389 G HN 0.561 nan 8.290 nan 0.000 0.543 390 V N -1.260 118.654 119.914 0.000 0.000 2.548 390 V HA -0.031 4.089 4.120 0.000 0.000 0.249 390 V C 2.665 178.760 176.094 0.001 0.000 1.055 390 V CA 1.351 63.652 62.300 0.002 0.000 1.065 390 V CB -0.562 31.263 31.823 0.004 0.000 0.681 390 V HN 0.133 nan 8.190 nan 0.000 0.462 391 V N 2.005 121.919 119.914 -0.000 0.000 2.427 391 V HA -0.032 4.088 4.120 0.000 0.000 0.248 391 V C 2.903 178.996 176.094 -0.003 0.000 1.051 391 V CA 2.153 64.452 62.300 -0.001 0.000 1.048 391 V CB -1.361 30.460 31.823 -0.003 0.000 0.666 391 V HN 0.620 nan 8.190 nan 0.000 0.456 392 G N -1.381 107.417 108.800 -0.004 0.000 2.432 392 G HA2 -0.245 3.715 3.960 0.000 0.000 0.219 392 G HA3 -0.245 3.715 3.960 0.000 0.000 0.219 392 G C 1.664 176.562 174.900 -0.003 0.000 1.135 392 G CA 1.260 46.357 45.100 -0.005 0.000 0.767 392 G HN 0.539 nan 8.290 nan 0.000 0.550 393 C N 0.552 119.851 119.300 -0.002 0.000 2.446 393 C HA 0.065 4.525 4.460 0.000 0.000 0.279 393 C C 3.136 178.126 174.990 0.000 0.000 1.366 393 C CA 1.428 60.446 59.018 -0.000 0.000 1.763 393 C CB -0.721 27.020 27.740 0.000 0.000 1.929 393 C HN 0.436 nan 8.230 nan 0.000 0.509 394 T N 0.943 115.497 114.554 0.000 0.000 2.978 394 T HA 0.063 4.413 4.350 0.000 0.000 0.262 394 T C 1.647 176.347 174.700 0.000 0.000 1.063 394 T CA 0.859 62.959 62.100 0.001 0.000 1.140 394 T CB -0.134 68.735 68.868 0.001 0.000 0.886 394 T HN 0.445 nan 8.240 nan 0.000 0.470 395 I N 1.197 121.766 120.570 -0.001 0.000 2.226 395 I HA -0.161 4.009 4.170 0.000 0.000 0.245 395 I C 2.604 178.721 176.117 -0.000 0.000 1.100 395 I CA 1.430 62.730 61.300 -0.001 0.000 1.374 395 I CB -0.285 37.714 38.000 -0.002 0.000 1.057 395 I HN 0.319 nan 8.210 nan 0.000 0.413 396 E N 0.548 120.747 120.200 -0.001 0.000 2.028 396 E HA -0.176 4.174 4.350 0.000 0.000 0.190 396 E C 1.708 178.308 176.600 -0.000 0.000 0.984 396 E CA 1.200 57.600 56.400 -0.000 0.000 0.800 396 E CB -0.021 29.679 29.700 -0.001 0.000 0.758 396 E HN 0.445 nan 8.360 nan 0.000 0.448 397 D N -0.625 119.775 120.400 -0.000 0.000 2.110 397 D HA -0.042 4.598 4.640 0.000 0.000 0.202 397 D C 1.412 177.712 176.300 0.000 0.000 0.975 397 D CA 1.412 55.412 54.000 0.000 0.000 0.839 397 D CB -0.199 40.601 40.800 0.000 0.000 0.996 397 D HN 0.344 nan 8.370 nan 0.000 0.464 398 G N 0.717 109.517 108.800 0.001 0.000 2.143 398 G HA2 -0.317 3.644 3.960 0.000 0.000 0.248 398 G HA3 -0.317 3.644 3.960 0.000 0.000 0.248 398 G C 0.243 175.143 174.900 0.001 0.000 0.991 398 G CA 0.147 45.247 45.100 0.001 0.000 0.689 398 G HN 0.315 nan 8.290 nan 0.000 0.522 399 R N -0.165 120.336 120.500 0.001 0.000 2.575 399 R HA 0.715 5.056 4.340 0.000 0.000 0.293 399 R C 0.317 176.618 176.300 0.002 0.000 0.983 399 R CA -0.650 55.450 56.100 0.001 0.000 0.887 399 R CB 1.635 31.935 30.300 0.000 0.000 1.184 399 R HN 0.529 nan 8.270 nan 0.000 0.445 400 I N -0.410 120.162 120.570 0.003 0.000 3.002 400 I HA 0.795 4.965 4.170 0.000 0.000 0.310 400 I C -0.480 175.641 176.117 0.007 0.000 1.087 400 I CA -1.180 60.123 61.300 0.005 0.000 1.017 400 I CB 2.200 40.204 38.000 0.006 0.000 1.226 400 I HN 0.380 nan 8.210 nan 0.000 0.443 401 V N 0.417 120.336 119.914 0.009 0.000 3.074 401 V HA 0.729 4.849 4.120 0.000 0.000 0.314 401 V C 0.144 176.247 176.094 0.017 0.000 1.117 401 V CA -0.516 61.792 62.300 0.013 0.000 1.014 401 V CB 1.251 33.083 31.823 0.014 0.000 1.057 401 V HN 1.001 nan 8.190 nan 0.000 0.438 402 S N 1.028 116.742 115.700 0.022 0.000 2.584 402 S HA 0.770 5.240 4.470 0.000 0.000 0.273 402 S C 0.380 174.998 174.600 0.029 0.000 1.311 402 S CA 0.101 58.317 58.200 0.026 0.000 1.034 402 S CB 1.001 64.220 63.200 0.032 0.000 0.939 402 S HN 1.723 nan 8.310 nan 0.000 0.513 403 G N -0.038 108.779 108.800 0.028 0.000 2.606 403 G HA2 0.561 4.521 3.960 0.000 0.000 0.262 403 G HA3 0.561 4.521 3.960 0.000 0.000 0.262 403 G C 0.823 175.738 174.900 0.024 0.000 1.394 403 G CA -0.641 44.473 45.100 0.024 0.000 1.044 403 G HN 2.024 nan 8.290 nan 0.000 0.553 404 G N -2.020 106.788 108.800 0.013 0.000 2.198 404 G HA2 0.256 4.216 3.960 0.000 0.000 0.260 404 G HA3 0.256 4.216 3.960 0.000 0.000 0.260 404 G C 1.399 176.296 174.900 -0.004 0.000 1.025 404 G CA 1.081 46.183 45.100 0.003 0.000 0.769 404 G HN 2.489 nan 8.290 nan 0.000 0.507 405 G N -1.477 107.318 108.800 -0.008 0.000 2.153 405 G HA2 -0.117 3.843 3.960 0.000 0.000 0.252 405 G HA3 -0.117 3.843 3.960 0.000 0.000 0.252 405 G C 1.353 176.244 174.900 -0.015 0.000 0.994 405 G CA 1.646 46.733 45.100 -0.021 0.000 0.698 405 G HN 1.834 nan 8.290 nan 0.000 0.521 406 S N -0.349 115.365 115.700 0.023 0.000 2.345 406 S HA -0.070 4.400 4.470 0.000 0.000 0.219 406 S C 2.662 177.314 174.600 0.088 0.000 1.031 406 S CA 2.410 60.658 58.200 0.081 0.000 0.984 406 S CB -0.353 62.912 63.200 0.110 0.000 0.874 406 S HN 1.264 nan 8.310 nan 0.000 0.451 407 T N -1.141 113.449 114.554 0.060 0.000 3.163 407 T HA 0.171 4.521 4.350 0.000 0.000 0.260 407 T C 1.215 175.925 174.700 0.016 0.000 1.156 407 T CA 0.798 62.930 62.100 0.054 0.000 1.072 407 T CB -0.200 68.690 68.868 0.038 0.000 0.937 407 T HN 0.314 nan 8.240 nan 0.000 0.528 408 E N 0.777 120.967 120.200 -0.016 0.000 2.102 408 E HA 0.112 4.462 4.350 0.000 0.000 0.190 408 E C 2.249 178.805 176.600 -0.073 0.000 0.971 408 E CA 0.360 56.737 56.400 -0.039 0.000 0.821 408 E CB -0.281 29.389 29.700 -0.051 0.000 0.777 408 E HN 0.307 nan 8.360 nan 0.000 0.460 409 V N 1.051 120.880 119.914 -0.143 0.000 2.307 409 V HA -0.247 3.873 4.120 0.000 0.000 0.245 409 V C 2.313 178.258 176.094 -0.247 0.000 1.045 409 V CA 2.053 64.191 62.300 -0.270 0.000 1.024 409 V CB -0.381 31.130 31.823 -0.521 0.000 0.651 409 V HN 0.234 nan 8.190 nan 0.000 0.449 410 E N 0.330 120.436 120.200 -0.156 0.000 2.077 410 E HA -0.243 4.107 4.350 0.000 0.000 0.193 410 E C 1.952 178.582 176.600 0.051 0.000 0.989 410 E CA 1.502 57.962 56.400 0.101 0.000 0.800 410 E CB -0.415 29.436 29.700 0.252 0.000 0.746 410 E HN 0.407 nan 8.360 nan 0.000 0.452 411 L N 0.044 121.282 121.223 0.025 0.000 2.141 411 L HA -0.040 4.301 4.340 0.000 0.000 0.209 411 L C 2.360 179.247 176.870 0.028 0.000 1.094 411 L CA 1.822 56.677 54.840 0.025 0.000 0.763 411 L CB -0.812 41.261 42.059 0.024 0.000 0.908 411 L HN 0.192 nan 8.230 nan 0.000 0.437 412 S N -0.387 115.316 115.700 0.005 0.000 2.355 412 S HA -0.241 4.229 4.470 0.000 0.000 0.222 412 S C 2.139 176.755 174.600 0.027 0.000 1.031 412 S CA 1.682 59.890 58.200 0.013 0.000 0.993 412 S CB -0.319 62.865 63.200 -0.027 0.000 0.859 412 S HN 0.621 nan 8.310 nan 0.000 0.453 413 M N -0.206 119.402 119.600 0.013 0.000 2.296 413 M HA 0.103 4.583 4.480 0.000 0.000 0.265 413 M C 1.680 178.012 176.300 0.054 0.000 1.064 413 M CA 1.387 56.705 55.300 0.031 0.000 1.109 413 M CB -0.219 32.399 32.600 0.030 0.000 1.396 413 M HN -0.005 nan 8.290 nan 0.000 0.430 414 K N 1.103 121.536 120.400 0.055 0.000 2.228 414 K HA 0.135 4.455 4.320 0.000 0.000 0.202 414 K C 1.961 178.612 176.600 0.085 0.000 1.051 414 K CA 0.966 57.288 56.287 0.060 0.000 0.960 414 K CB -0.210 32.312 32.500 0.037 0.000 0.743 414 K HN 0.492 nan 8.250 nan 0.000 0.458 415 L N 0.144 121.420 121.223 0.087 0.000 2.240 415 L HA -0.026 4.314 4.340 0.000 0.000 0.211 415 L C 2.437 179.416 176.870 0.182 0.000 1.106 415 L CA 0.663 55.590 54.840 0.145 0.000 0.793 415 L CB -0.123 42.012 42.059 0.126 0.000 0.927 415 L HN 0.077 nan 8.230 nan 0.000 0.446 416 R N 0.285 120.855 120.500 0.118 0.000 2.115 416 R HA -0.132 4.208 4.340 0.000 0.000 0.226 416 R C 1.953 178.300 176.300 0.078 0.000 1.100 416 R CA 1.348 57.501 56.100 0.090 0.000 0.980 416 R CB 0.042 30.378 30.300 0.061 0.000 0.875 416 R HN 0.539 nan 8.270 nan 0.000 0.445 417 E N -0.862 119.393 120.200 0.092 0.000 2.385 417 E HA -0.151 4.200 4.350 0.000 0.000 0.194 417 E C 1.406 178.066 176.600 0.101 0.000 1.013 417 E CA 0.364 56.809 56.400 0.075 0.000 0.866 417 E CB -0.213 29.526 29.700 0.066 0.000 0.832 417 E HN 0.356 nan 8.360 nan 0.000 0.500 418 Y N 1.834 122.140 120.300 0.008 0.000 2.337 418 Y HA 0.153 4.703 4.550 0.000 0.000 0.293 418 Y C 2.332 178.234 175.900 0.002 0.000 1.123 418 Y CA 1.010 59.111 58.100 0.002 0.000 1.201 418 Y CB -0.164 38.292 38.460 -0.006 0.000 1.011 418 Y HN 0.121 nan 8.280 nan 0.000 0.545 419 A N 0.396 123.173 122.820 -0.072 0.000 1.968 419 A HA -0.131 4.189 4.320 0.000 0.000 0.217 419 A C 1.997 179.500 177.584 -0.135 0.000 1.169 419 A CA 1.537 53.487 52.037 -0.144 0.000 0.638 419 A CB -0.578 18.421 19.000 -0.002 0.000 0.812 419 A HN 0.612 nan 8.150 nan 0.000 0.446 420 E N -0.496 119.658 120.200 -0.075 0.000 2.204 420 E HA -0.111 4.239 4.350 0.000 0.000 0.195 420 E C 1.573 178.121 176.600 -0.086 0.000 0.990 420 E CA 0.674 57.039 56.400 -0.057 0.000 0.821 420 E CB -0.236 29.451 29.700 -0.023 0.000 0.750 420 E HN 0.588 nan 8.360 nan 0.000 0.477 421 G N 0.728 109.445 108.800 -0.139 0.000 3.383 421 G HA2 0.197 4.157 3.960 0.000 0.000 0.251 421 G HA3 0.197 4.157 3.960 0.000 0.000 0.251 421 G C 0.252 175.037 174.900 -0.193 0.000 1.203 421 G CA -0.234 44.781 45.100 -0.142 0.000 0.852 421 G HN 0.012 nan 8.290 nan 0.000 0.531 422 I N 1.721 122.173 120.570 -0.197 0.000 2.418 422 I HA 0.253 4.423 4.170 0.000 0.000 0.287 422 I C -0.120 175.938 176.117 -0.099 0.000 1.008 422 I CA -0.744 60.450 61.300 -0.177 0.000 1.104 422 I CB 2.209 40.071 38.000 -0.230 0.000 1.264 422 I HN 0.059 nan 8.210 nan 0.000 0.438 423 S N 4.277 119.934 115.700 -0.072 0.000 2.585 423 S HA 0.943 5.413 4.470 0.000 0.000 0.277 423 S C 0.139 174.716 174.600 -0.038 0.000 1.241 423 S CA -0.161 58.011 58.200 -0.047 0.000 1.041 423 S CB 1.842 65.020 63.200 -0.037 0.000 0.987 423 S HN 1.223 nan 8.310 nan 0.000 0.512 424 G N 1.396 110.180 108.800 -0.027 0.000 2.462 424 G HA2 -0.095 3.865 3.960 0.000 0.000 0.685 424 G HA3 -0.095 3.865 3.960 0.000 0.000 0.685 424 G C -0.128 174.764 174.900 -0.013 0.000 1.295 424 G CA -0.543 44.545 45.100 -0.020 0.000 0.941 424 G HN 0.701 nan 8.290 nan 0.000 0.554 425 R N 0.273 120.769 120.500 -0.007 0.000 2.275 425 R HA 0.098 4.438 4.340 0.000 0.000 0.199 425 R C 2.490 178.795 176.300 0.009 0.000 0.989 425 R CA 1.428 57.529 56.100 0.003 0.000 1.016 425 R CB -0.136 30.167 30.300 0.006 0.000 0.918 425 R HN 0.754 nan 8.270 nan 0.000 0.473 426 E N 0.193 120.395 120.200 0.004 0.000 2.265 426 E HA -0.294 4.056 4.350 0.000 0.000 0.196 426 E C 1.688 178.303 176.600 0.026 0.000 0.996 426 E CA 0.856 57.265 56.400 0.016 0.000 0.832 426 E CB -0.222 29.483 29.700 0.007 0.000 0.756 426 E HN 0.366 nan 8.360 nan 0.000 0.491 427 Q N 1.311 121.113 119.800 0.003 0.000 2.135 427 Q HA -0.176 4.164 4.340 0.000 0.000 0.204 427 Q C 2.177 178.199 176.000 0.036 0.000 0.981 427 Q CA 1.297 57.099 55.803 -0.002 0.000 0.856 427 Q CB -0.102 28.622 28.738 -0.023 0.000 0.902 427 Q HN 0.452 nan 8.270 nan 0.000 0.425 428 L N -0.129 121.119 121.223 0.043 0.000 2.291 428 L HA -0.070 4.270 4.340 0.000 0.000 0.214 428 L C 2.355 179.292 176.870 0.112 0.000 1.120 428 L CA 0.711 55.588 54.840 0.061 0.000 0.799 428 L CB -0.349 41.736 42.059 0.043 0.000 0.925 428 L HN 0.256 nan 8.230 nan 0.000 0.446 429 A N -0.673 122.227 122.820 0.133 0.000 2.030 429 A HA 0.003 4.323 4.320 0.000 0.000 0.215 429 A C 2.233 180.046 177.584 0.382 0.000 1.164 429 A CA 0.582 52.771 52.037 0.253 0.000 0.697 429 A CB -0.286 18.810 19.000 0.161 0.000 0.827 429 A HN 0.141 nan 8.150 nan 0.000 0.457 430 V N 0.340 120.391 119.914 0.228 0.000 2.358 430 V HA -0.230 3.890 4.120 0.000 0.000 0.246 430 V C 2.532 178.745 176.094 0.199 0.000 1.047 430 V CA 2.063 64.480 62.300 0.196 0.000 1.035 430 V CB -0.849 31.046 31.823 0.119 0.000 0.658 430 V HN 0.506 nan 8.190 nan 0.000 0.452 431 R N 0.416 121.004 120.500 0.148 0.000 2.120 431 R HA -0.098 4.242 4.340 0.000 0.000 0.234 431 R C 2.411 178.794 176.300 0.138 0.000 1.123 431 R CA 1.403 57.576 56.100 0.121 0.000 0.975 431 R CB -0.558 29.790 30.300 0.080 0.000 0.866 431 R HN 0.542 nan 8.270 nan 0.000 0.446 432 A N 0.583 123.517 122.820 0.189 0.000 1.898 432 A HA -0.161 4.159 4.320 0.000 0.000 0.216 432 A C 1.943 179.610 177.584 0.138 0.000 1.181 432 A CA 0.923 53.075 52.037 0.192 0.000 0.620 432 A CB -0.554 18.629 19.000 0.306 0.000 0.819 432 A HN 0.336 nan 8.150 nan 0.000 0.442 433 F N 0.719 120.662 119.950 -0.012 0.000 2.146 433 F HA -0.050 4.477 4.527 0.000 0.000 0.298 433 F C 2.556 178.288 175.800 -0.113 0.000 1.096 433 F CA 1.190 59.058 58.000 -0.221 0.000 1.275 433 F CB -0.150 38.685 39.000 -0.276 0.000 1.008 433 F HN 0.264 nan 8.300 nan 0.000 0.480 434 A N -0.062 122.892 122.820 0.225 0.000 1.877 434 A HA -0.212 4.108 4.320 0.000 0.000 0.216 434 A C 1.851 179.447 177.584 0.020 0.000 1.186 434 A CA 2.058 54.175 52.037 0.134 0.000 0.620 434 A CB -0.962 18.112 19.000 0.124 0.000 0.822 434 A HN 0.400 nan 8.150 nan 0.000 0.443 435 D N -0.111 120.296 120.400 0.011 0.000 2.264 435 D HA 0.057 4.697 4.640 0.000 0.000 0.208 435 D C 2.027 178.287 176.300 -0.066 0.000 0.966 435 D CA 1.156 55.145 54.000 -0.019 0.000 0.864 435 D CB -0.247 40.555 40.800 0.003 0.000 0.933 435 D HN 0.448 nan 8.370 nan 0.000 0.499 436 A N 0.379 123.122 122.820 -0.127 0.000 1.929 436 A HA -0.037 4.284 4.320 0.000 0.000 0.216 436 A C 2.242 179.708 177.584 -0.198 0.000 1.176 436 A CA 0.483 52.406 52.037 -0.191 0.000 0.628 436 A CB -0.590 18.213 19.000 -0.329 0.000 0.816 436 A HN 0.194 nan 8.150 nan 0.000 0.444 437 L N -0.393 120.706 121.223 -0.205 0.000 2.191 437 L HA -0.176 4.164 4.340 0.000 0.000 0.212 437 L C 2.001 178.809 176.870 -0.103 0.000 1.103 437 L CA 1.173 55.921 54.840 -0.154 0.000 0.769 437 L CB -0.463 41.536 42.059 -0.100 0.000 0.908 437 L HN 0.453 nan 8.230 nan 0.000 0.438 438 E N -0.627 119.520 120.200 -0.088 0.000 2.526 438 E HA -0.133 4.217 4.350 0.000 0.000 0.198 438 E C 1.899 178.457 176.600 -0.071 0.000 1.091 438 E CA 0.069 56.424 56.400 -0.075 0.000 0.880 438 E CB 0.168 29.831 29.700 -0.063 0.000 0.873 438 E HN 0.273 nan 8.360 nan 0.000 0.527 439 V N 0.636 120.502 119.914 -0.080 0.000 2.871 439 V HA -0.151 3.969 4.120 0.000 0.000 0.256 439 V C 1.586 177.641 176.094 -0.064 0.000 1.082 439 V CA 0.790 63.047 62.300 -0.071 0.000 1.105 439 V CB -0.084 31.692 31.823 -0.079 0.000 0.713 439 V HN 0.260 nan 8.190 nan 0.000 0.473 440 I N 1.084 121.615 120.570 -0.066 0.000 2.277 440 I HA 0.010 4.180 4.170 0.000 0.000 0.243 440 I C 0.048 176.133 176.117 -0.053 0.000 1.094 440 I CA 1.204 62.470 61.300 -0.057 0.000 1.393 440 I CB -2.693 35.276 38.000 -0.053 0.000 1.078 440 I HN 0.341 nan 8.210 nan 0.000 0.417 441 P HA -0.113 nan 4.420 nan 0.000 0.217 441 P C 1.872 179.141 177.300 -0.052 0.000 1.150 441 P CA 1.402 64.470 63.100 -0.054 0.000 0.832 441 P CB -0.078 31.585 31.700 -0.063 0.000 0.787 442 R N -0.205 120.264 120.500 -0.051 0.000 2.062 442 R HA -0.080 4.260 4.340 0.000 0.000 0.229 442 R C 2.113 178.385 176.300 -0.046 0.000 1.128 442 R CA 2.148 58.220 56.100 -0.046 0.000 0.960 442 R CB -0.857 29.416 30.300 -0.045 0.000 0.855 442 R HN 0.225 nan 8.270 nan 0.000 0.432 443 T N -1.404 113.121 114.554 -0.047 0.000 3.035 443 T HA 0.002 4.352 4.350 0.000 0.000 0.268 443 T C 1.870 176.540 174.700 -0.050 0.000 1.109 443 T CA 0.584 62.656 62.100 -0.046 0.000 1.119 443 T CB -0.114 68.727 68.868 -0.045 0.000 0.900 443 T HN 0.155 nan 8.240 nan 0.000 0.503 444 L N 0.471 121.661 121.223 -0.055 0.000 2.109 444 L HA 0.126 4.466 4.340 0.000 0.000 0.207 444 L C 3.241 180.067 176.870 -0.073 0.000 1.086 444 L CA 1.125 55.925 54.840 -0.066 0.000 0.760 444 L CB -0.622 41.397 42.059 -0.066 0.000 0.910 444 L HN 0.393 nan 8.230 nan 0.000 0.437 445 A N -0.127 122.656 122.820 -0.061 0.000 1.897 445 A HA -0.167 4.153 4.320 0.000 0.000 0.215 445 A C 2.127 179.679 177.584 -0.052 0.000 1.181 445 A CA 1.165 53.167 52.037 -0.058 0.000 0.620 445 A CB -0.336 18.636 19.000 -0.046 0.000 0.821 445 A HN 0.377 nan 8.150 nan 0.000 0.443 446 E N 0.318 120.490 120.200 -0.046 0.000 2.049 446 E HA -0.208 4.142 4.350 0.000 0.000 0.198 446 E C 1.581 178.156 176.600 -0.042 0.000 1.007 446 E CA 1.405 57.782 56.400 -0.039 0.000 0.809 446 E CB -0.239 29.439 29.700 -0.036 0.000 0.749 446 E HN 0.539 nan 8.360 nan 0.000 0.450 447 N N 0.329 119.001 118.700 -0.048 0.000 2.381 447 N HA -0.076 4.665 4.740 0.000 0.000 0.182 447 N C 1.464 176.939 175.510 -0.058 0.000 1.025 447 N CA 0.975 53.996 53.050 -0.048 0.000 0.888 447 N CB -0.082 38.375 38.487 -0.049 0.000 0.965 447 N HN 0.120 nan 8.380 nan 0.000 0.438 448 A N -0.005 122.771 122.820 -0.073 0.000 2.067 448 A HA 0.316 4.636 4.320 0.000 0.000 0.217 448 A C 1.781 179.330 177.584 -0.058 0.000 1.156 448 A CA 1.481 53.465 52.037 -0.087 0.000 0.683 448 A CB -0.274 18.657 19.000 -0.114 0.000 0.808 448 A HN 0.344 nan 8.150 nan 0.000 0.455 449 G N -2.199 106.574 108.800 -0.045 0.000 2.232 449 G HA2 -0.176 3.784 3.960 0.000 0.000 0.226 449 G HA3 -0.176 3.784 3.960 0.000 0.000 0.226 449 G C 0.161 175.043 174.900 -0.029 0.000 0.996 449 G CA 0.158 45.239 45.100 -0.032 0.000 0.626 449 G HN 0.382 nan 8.290 nan 0.000 0.509 450 L N 1.281 122.482 121.223 -0.036 0.000 2.468 450 L HA 0.492 4.832 4.340 0.000 0.000 0.253 450 L C 0.739 177.593 176.870 -0.026 0.000 1.237 450 L CA -0.009 54.813 54.840 -0.030 0.000 0.823 450 L CB 0.327 42.365 42.059 -0.035 0.000 1.124 450 L HN 0.158 nan 8.230 nan 0.000 0.504 451 D N 0.010 120.397 120.400 -0.021 0.000 2.352 451 D HA 0.257 4.897 4.640 0.000 0.000 0.245 451 D C 0.611 176.897 176.300 -0.022 0.000 1.224 451 D CA 0.272 54.261 54.000 -0.019 0.000 0.879 451 D CB 1.432 42.223 40.800 -0.014 0.000 1.057 451 D HN 0.557 nan 8.370 nan 0.000 0.491 452 A N 4.317 127.122 122.820 -0.025 0.000 1.969 452 A HA -0.113 4.207 4.320 0.000 0.000 0.218 452 A C 2.116 179.685 177.584 -0.025 0.000 1.169 452 A CA 0.896 52.916 52.037 -0.028 0.000 0.635 452 A CB -0.393 18.589 19.000 -0.030 0.000 0.810 452 A HN 0.740 nan 8.150 nan 0.000 0.445 453 I N -0.922 119.635 120.570 -0.021 0.000 2.286 453 I HA -0.152 4.018 4.170 0.000 0.000 0.245 453 I C 2.438 178.546 176.117 -0.016 0.000 1.104 453 I CA 1.599 62.888 61.300 -0.018 0.000 1.397 453 I CB -0.387 37.604 38.000 -0.015 0.000 1.072 453 I HN 0.329 nan 8.210 nan 0.000 0.417 454 E N 1.940 122.132 120.200 -0.013 0.000 2.047 454 E HA -0.167 4.183 4.350 0.000 0.000 0.191 454 E C 2.122 178.716 176.600 -0.010 0.000 0.987 454 E CA 1.538 57.932 56.400 -0.010 0.000 0.799 454 E CB -0.221 29.474 29.700 -0.008 0.000 0.752 454 E HN 0.434 nan 8.360 nan 0.000 0.449 455 I N 0.010 120.572 120.570 -0.014 0.000 2.252 455 I HA -0.210 3.960 4.170 0.000 0.000 0.245 455 I C 2.145 178.253 176.117 -0.016 0.000 1.102 455 I CA 0.527 61.819 61.300 -0.014 0.000 1.385 455 I CB -0.196 37.793 38.000 -0.020 0.000 1.064 455 I HN 0.211 nan 8.210 nan 0.000 0.414 456 L N 0.250 121.459 121.223 -0.023 0.000 2.261 456 L HA -0.153 4.187 4.340 0.000 0.000 0.216 456 L C 2.103 178.957 176.870 -0.026 0.000 1.114 456 L CA 1.553 56.374 54.840 -0.031 0.000 0.777 456 L CB -0.276 41.763 42.059 -0.034 0.000 0.910 456 L HN -0.002 nan 8.230 nan 0.000 0.440 457 V N -1.476 118.429 119.914 -0.014 0.000 2.725 457 V HA -0.123 3.997 4.120 0.000 0.000 0.247 457 V C 2.324 178.420 176.094 0.003 0.000 1.058 457 V CA 1.073 63.369 62.300 -0.007 0.000 1.080 457 V CB -0.350 31.470 31.823 -0.004 0.000 0.713 457 V HN 0.372 nan 8.190 nan 0.000 0.465 458 K N -0.124 120.279 120.400 0.006 0.000 2.155 458 K HA -0.048 4.272 4.320 0.000 0.000 0.203 458 K C 1.985 178.605 176.600 0.033 0.000 1.052 458 K CA 1.002 57.300 56.287 0.017 0.000 0.948 458 K CB -0.085 32.423 32.500 0.014 0.000 0.728 458 K HN 0.317 nan 8.250 nan 0.000 0.448 459 V N 0.907 120.836 119.914 0.025 0.000 2.649 459 V HA -0.105 4.015 4.120 0.000 0.000 0.248 459 V C 2.258 178.379 176.094 0.045 0.000 1.054 459 V CA 1.180 63.511 62.300 0.051 0.000 1.073 459 V CB -0.326 31.497 31.823 -0.001 0.000 0.699 459 V HN 0.245 nan 8.190 nan 0.000 0.463 460 R N 0.260 120.752 120.500 -0.013 0.000 2.092 460 R HA -0.068 4.272 4.340 0.000 0.000 0.231 460 R C 2.180 178.510 176.300 0.049 0.000 1.119 460 R CA 1.430 57.515 56.100 -0.024 0.000 0.970 460 R CB -0.264 30.017 30.300 -0.032 0.000 0.864 460 R HN 0.491 nan 8.270 nan 0.000 0.440 461 A N -0.057 122.792 122.820 0.048 0.000 2.067 461 A HA 0.099 4.419 4.320 0.000 0.000 0.217 461 A C 1.849 179.474 177.584 0.069 0.000 1.156 461 A CA 1.099 53.166 52.037 0.050 0.000 0.683 461 A CB -0.063 18.956 19.000 0.031 0.000 0.808 461 A HN 0.406 nan 8.150 nan 0.000 0.455 462 A N -2.175 120.705 122.820 0.099 0.000 2.307 462 A HA 0.163 4.483 4.320 0.000 0.000 0.218 462 A C 1.507 179.147 177.584 0.093 0.000 1.228 462 A CA 0.345 52.434 52.037 0.086 0.000 0.857 462 A CB -0.564 18.484 19.000 0.080 0.000 0.897 462 A HN 0.652 nan 8.150 nan 0.000 0.495 463 H N -1.174 117.899 119.070 0.004 0.000 2.855 463 H HA 0.333 4.889 4.556 0.000 0.000 0.259 463 H C 1.144 176.476 175.328 0.007 0.000 0.972 463 H CA 0.475 56.526 56.048 0.005 0.000 1.213 463 H CB 0.502 30.267 29.762 0.006 0.000 1.451 463 H HN 0.509 nan 8.280 nan 0.000 0.484 464 A N 1.488 124.378 122.820 0.117 0.000 2.445 464 A HA 0.325 4.645 4.320 0.000 0.000 0.242 464 A C 1.206 178.812 177.584 0.037 0.000 1.075 464 A CA 0.781 52.859 52.037 0.068 0.000 0.777 464 A CB 0.274 19.305 19.000 0.052 0.000 1.013 464 A HN 0.676 nan 8.150 nan 0.000 0.493 465 S N 1.656 117.374 115.700 0.030 0.000 4.158 465 S HA -0.270 4.200 4.470 0.000 0.000 0.613 465 S C 0.929 175.535 174.600 0.009 0.000 1.866 465 S CA 1.309 59.520 58.200 0.017 0.000 4.250 465 S CB -1.634 61.573 63.200 0.012 0.000 0.202 465 S HN 0.891 nan 8.310 nan 0.000 0.455 466 N N 2.570 121.268 118.700 -0.003 0.000 3.039 466 N HA 0.394 5.134 4.740 0.000 0.000 0.231 466 N C 0.968 176.455 175.510 -0.038 0.000 1.053 466 N CA 0.838 53.879 53.050 -0.014 0.000 1.191 466 N CB -0.961 37.518 38.487 -0.013 0.000 1.597 466 N HN 0.992 nan 8.380 nan 0.000 0.585 467 G N 0.653 109.425 108.800 -0.047 0.000 2.606 467 G HA2 0.139 4.099 3.960 0.000 0.000 0.252 467 G HA3 0.139 4.099 3.960 0.000 0.000 0.252 467 G C 0.525 175.347 174.900 -0.130 0.000 1.206 467 G CA -0.157 44.893 45.100 -0.083 0.000 0.861 467 G HN 0.180 nan 8.290 nan 0.000 0.561 468 N N -0.222 118.330 118.700 -0.246 0.000 2.436 468 N HA -0.005 4.736 4.740 0.000 0.000 0.178 468 N C 1.643 176.994 175.510 -0.266 0.000 1.026 468 N CA 0.794 53.713 53.050 -0.218 0.000 0.880 468 N CB 0.054 38.431 38.487 -0.183 0.000 1.061 468 N HN 0.814 nan 8.380 nan 0.000 0.434 469 K N -0.844 119.234 120.400 -0.537 0.000 3.459 469 K HA -0.197 4.123 4.320 0.000 0.000 0.291 469 K C 0.272 176.779 176.600 -0.155 0.000 0.863 469 K CA 1.296 57.384 56.287 -0.332 0.000 1.269 469 K CB -1.734 30.703 32.500 -0.105 0.000 1.300 469 K HN 0.300 nan 8.250 nan 0.000 0.507 470 c N 2.136 120.648 118.600 -0.147 0.000 2.778 470 c HA 0.683 5.253 4.570 0.000 0.000 0.294 470 c C 0.687 174.771 174.090 -0.010 0.000 1.331 470 c CA 0.296 56.603 56.329 -0.036 0.000 1.741 470 c CB -0.881 41.613 42.510 -0.027 0.000 2.106 470 c HN 0.449 nan 8.230 nan 0.000 0.603 471 A N 0.491 123.289 122.820 -0.035 0.000 2.274 471 A HA 0.766 5.086 4.320 0.000 0.000 0.309 471 A C 0.333 178.039 177.584 0.203 0.000 1.226 471 A CA 0.403 52.472 52.037 0.054 0.000 0.853 471 A CB 0.340 19.337 19.000 -0.006 0.000 1.146 471 A HN 0.764 nan 8.150 nan 0.000 0.518 472 G N 0.316 109.183 108.800 0.111 0.000 2.645 472 G HA2 0.526 4.486 3.960 0.000 0.000 0.292 472 G HA3 0.526 4.486 3.960 0.000 0.000 0.292 472 G C -1.505 173.421 174.900 0.043 0.000 1.415 472 G CA -0.733 44.418 45.100 0.084 0.000 0.785 472 G HN 1.051 nan 8.290 nan 0.000 0.483 473 L N 0.927 122.159 121.223 0.015 0.000 2.360 473 L HA 0.532 4.872 4.340 0.000 0.000 0.276 473 L C -0.204 176.659 176.870 -0.011 0.000 1.121 473 L CA -0.860 53.977 54.840 -0.004 0.000 0.845 473 L CB 0.823 42.866 42.059 -0.026 0.000 1.143 473 L HN 0.435 nan 8.230 nan 0.000 0.452 474 N N 3.474 122.172 118.700 -0.002 0.000 2.485 474 N HA 0.132 4.872 4.740 0.000 0.000 0.243 474 N C 0.906 176.380 175.510 -0.061 0.000 0.987 474 N CA -0.139 52.913 53.050 0.004 0.000 0.940 474 N CB 1.184 39.713 38.487 0.070 0.000 1.122 474 N HN 0.552 nan 8.380 nan 0.000 0.509 475 V N 1.693 121.476 119.914 -0.219 0.000 2.867 475 V HA -0.081 4.039 4.120 0.000 0.000 0.260 475 V C 1.153 177.021 176.094 -0.378 0.000 1.099 475 V CA 1.353 63.440 62.300 -0.354 0.000 1.122 475 V CB -1.090 30.419 31.823 -0.523 0.000 0.708 475 V HN 0.369 nan 8.190 nan 0.000 0.490 476 F N 1.188 121.139 119.950 0.001 0.000 2.317 476 F HA 0.124 4.651 4.527 0.000 0.000 0.290 476 F C 2.611 178.412 175.800 0.001 0.000 1.075 476 F CA 1.385 59.386 58.000 0.001 0.000 1.380 476 F CB -1.227 37.773 39.000 0.001 0.000 1.093 476 F HN 0.023 nan 8.300 nan 0.000 0.524 477 T N -0.997 113.661 114.554 0.173 0.000 2.812 477 T HA 0.179 4.529 4.350 0.000 0.000 0.264 477 T C 2.081 176.812 174.700 0.052 0.000 1.042 477 T CA 1.576 63.735 62.100 0.097 0.000 1.140 477 T CB -0.712 68.203 68.868 0.078 0.000 0.870 477 T HN 0.507 nan 8.240 nan 0.000 0.445 478 G N 1.269 110.084 108.800 0.025 0.000 2.399 478 G HA2 -0.087 3.873 3.960 0.000 0.000 0.216 478 G HA3 -0.087 3.873 3.960 0.000 0.000 0.216 478 G C 0.355 175.258 174.900 0.003 0.000 1.096 478 G CA 0.036 45.139 45.100 0.004 0.000 0.650 478 G HN 0.925 nan 8.290 nan 0.000 0.512 479 A N 0.028 122.856 122.820 0.015 0.000 2.252 479 A HA 0.791 5.111 4.320 0.000 0.000 0.305 479 A C 0.586 178.180 177.584 0.017 0.000 1.097 479 A CA 0.455 52.501 52.037 0.014 0.000 0.849 479 A CB 1.373 20.383 19.000 0.017 0.000 1.142 479 A HN 1.702 nan 8.150 nan 0.000 0.499 480 V N 0.580 120.505 119.914 0.019 0.000 2.439 480 V HA 0.334 4.454 4.120 0.000 0.000 0.271 480 V C 0.083 176.195 176.094 0.029 0.000 1.040 480 V CA 0.364 62.681 62.300 0.027 0.000 1.002 480 V CB 0.127 31.970 31.823 0.034 0.000 1.000 480 V HN 0.943 nan 8.190 nan 0.000 0.477 481 E N 4.002 124.222 120.200 0.032 0.000 2.339 481 E HA 0.348 4.698 4.350 0.000 0.000 0.262 481 E C -1.092 175.525 176.600 0.028 0.000 0.934 481 E CA -0.882 55.536 56.400 0.030 0.000 0.802 481 E CB 1.519 31.241 29.700 0.036 0.000 1.275 481 E HN 0.786 nan 8.360 nan 0.000 0.427 482 D N 2.360 122.771 120.400 0.018 0.000 2.336 482 D HA 0.052 4.692 4.640 0.000 0.000 0.249 482 D C 0.835 177.146 176.300 0.019 0.000 1.213 482 D CA -0.028 53.978 54.000 0.011 0.000 0.870 482 D CB 0.798 41.598 40.800 -0.001 0.000 1.076 482 D HN 0.409 nan 8.370 nan 0.000 0.483 483 M N 2.487 122.102 119.600 0.024 0.000 2.319 483 M HA -0.100 4.380 4.480 0.000 0.000 0.265 483 M C 2.153 178.467 176.300 0.024 0.000 1.068 483 M CA 0.448 55.767 55.300 0.031 0.000 1.118 483 M CB -0.573 32.050 32.600 0.038 0.000 1.395 483 M HN 0.512 nan 8.290 nan 0.000 0.435 484 c N 0.710 119.319 118.600 0.015 0.000 2.446 484 c HA -0.107 4.463 4.570 0.000 0.000 0.277 484 c C 2.481 176.577 174.090 0.009 0.000 1.275 484 c CA 0.746 57.081 56.329 0.010 0.000 1.727 484 c CB -0.940 41.572 42.510 0.003 0.000 2.010 484 c HN 0.563 nan 8.230 nan 0.000 0.486 485 E N 0.904 121.109 120.200 0.008 0.000 2.274 485 E HA -0.112 4.238 4.350 0.000 0.000 0.194 485 E C 1.534 178.141 176.600 0.011 0.000 0.996 485 E CA 0.639 57.044 56.400 0.007 0.000 0.840 485 E CB -0.123 29.580 29.700 0.005 0.000 0.772 485 E HN 0.589 nan 8.360 nan 0.000 0.491 486 N N -0.217 118.494 118.700 0.018 0.000 2.250 486 N HA -0.021 4.719 4.740 0.000 0.000 0.181 486 N C 1.041 176.564 175.510 0.022 0.000 1.017 486 N CA 1.252 54.316 53.050 0.025 0.000 0.866 486 N CB 0.609 39.120 38.487 0.040 0.000 0.985 486 N HN 0.258 nan 8.380 nan 0.000 0.429 487 G N -0.865 107.948 108.800 0.022 0.000 2.151 487 G HA2 -0.181 3.779 3.960 0.000 0.000 0.156 487 G HA3 -0.181 3.779 3.960 0.000 0.000 0.156 487 G C -0.683 174.232 174.900 0.026 0.000 1.017 487 G CA -0.160 44.951 45.100 0.018 0.000 0.686 487 G HN 0.122 nan 8.290 nan 0.000 0.503 488 V N 1.397 121.330 119.914 0.032 0.000 2.294 488 V HA 0.652 4.772 4.120 0.000 0.000 0.272 488 V C 0.506 176.618 176.094 0.029 0.000 1.027 488 V CA -0.205 62.118 62.300 0.038 0.000 0.823 488 V CB 1.088 32.941 31.823 0.051 0.000 1.030 488 V HN 1.108 nan 8.190 nan 0.000 0.457 489 V N 1.863 121.791 119.914 0.024 0.000 2.888 489 V HA 0.798 4.918 4.120 0.000 0.000 0.309 489 V C -0.851 175.252 176.094 0.016 0.000 1.114 489 V CA -0.836 61.475 62.300 0.018 0.000 0.940 489 V CB 2.232 34.063 31.823 0.014 0.000 1.021 489 V HN 0.694 nan 8.190 nan 0.000 0.426 490 E N 3.336 123.544 120.200 0.013 0.000 2.312 490 E HA 0.639 4.989 4.350 0.000 0.000 0.267 490 E C -2.945 173.660 176.600 0.008 0.000 0.894 490 E CA -2.160 54.247 56.400 0.011 0.000 0.773 490 E CB 2.764 32.470 29.700 0.010 0.000 1.241 490 E HN 0.577 nan 8.360 nan 0.000 0.432 491 P HA -0.042 nan 4.420 nan 0.000 0.269 491 P C 0.295 177.598 177.300 0.004 0.000 1.215 491 P CA -0.271 62.832 63.100 0.005 0.000 0.780 491 P CB 0.558 32.261 31.700 0.003 0.000 0.898 492 L N 3.253 124.478 121.223 0.004 0.000 2.131 492 L HA -0.114 4.226 4.340 0.000 0.000 0.210 492 L C 2.183 179.055 176.870 0.003 0.000 1.092 492 L CA 1.784 56.626 54.840 0.003 0.000 0.759 492 L CB -0.797 41.263 42.059 0.002 0.000 0.903 492 L HN 0.304 nan 8.230 nan 0.000 0.435 493 R N -1.287 119.215 120.500 0.002 0.000 2.189 493 R HA -0.086 4.254 4.340 0.000 0.000 0.223 493 R C 1.968 178.269 176.300 0.003 0.000 1.092 493 R CA 1.203 57.304 56.100 0.002 0.000 0.989 493 R CB -0.057 30.244 30.300 0.002 0.000 0.876 493 R HN 0.364 nan 8.270 nan 0.000 0.457 494 V N 1.112 121.028 119.914 0.003 0.000 2.358 494 V HA -0.222 3.898 4.120 0.000 0.000 0.246 494 V C 2.132 178.227 176.094 0.001 0.000 1.047 494 V CA 1.635 63.936 62.300 0.002 0.000 1.035 494 V CB -0.251 31.574 31.823 0.002 0.000 0.658 494 V HN 0.241 nan 8.190 nan 0.000 0.452 495 K N 0.397 120.799 120.400 0.003 0.000 2.128 495 K HA -0.016 4.304 4.320 0.000 0.000 0.202 495 K C 2.348 178.953 176.600 0.008 0.000 1.050 495 K CA 1.636 57.925 56.287 0.003 0.000 0.966 495 K CB -0.981 31.522 32.500 0.005 0.000 0.759 495 K HN 0.675 nan 8.250 nan 0.000 0.454 496 T N -0.425 114.134 114.554 0.007 0.000 2.821 496 T HA -0.173 4.177 4.350 0.000 0.000 0.267 496 T C 2.116 176.824 174.700 0.013 0.000 1.046 496 T CA 1.258 63.363 62.100 0.010 0.000 1.139 496 T CB -0.082 68.789 68.868 0.004 0.000 0.871 496 T HN 0.035 nan 8.240 nan 0.000 0.454 497 Q N 1.827 121.632 119.800 0.009 0.000 2.046 497 Q HA 0.197 4.537 4.340 0.000 0.000 0.200 497 Q C 2.491 178.498 176.000 0.011 0.000 0.975 497 Q CA 1.801 57.610 55.803 0.010 0.000 0.836 497 Q CB -0.983 27.759 28.738 0.006 0.000 0.896 497 Q HN 0.633 nan 8.270 nan 0.000 0.428 498 A N 0.183 123.006 122.820 0.005 0.000 1.940 498 A HA -0.160 4.160 4.320 0.000 0.000 0.219 498 A C 2.101 179.687 177.584 0.003 0.000 1.176 498 A CA 1.594 53.630 52.037 -0.001 0.000 0.631 498 A CB -0.721 18.273 19.000 -0.010 0.000 0.814 498 A HN 0.502 nan 8.150 nan 0.000 0.446 499 I N -1.422 119.158 120.570 0.018 0.000 2.333 499 I HA -0.200 3.970 4.170 0.000 0.000 0.246 499 I C 2.736 178.901 176.117 0.079 0.000 1.106 499 I CA 1.514 62.843 61.300 0.048 0.000 1.411 499 I CB -0.223 37.827 38.000 0.083 0.000 1.082 499 I HN 0.361 nan 8.210 nan 0.000 0.420 500 Q N 1.159 120.993 119.800 0.056 0.000 2.046 500 Q HA -0.182 4.158 4.340 0.000 0.000 0.200 500 Q C 2.373 178.404 176.000 0.051 0.000 0.975 500 Q CA 2.509 58.344 55.803 0.054 0.000 0.836 500 Q CB -0.238 28.518 28.738 0.031 0.000 0.896 500 Q HN 0.535 nan 8.270 nan 0.000 0.428 501 S N -0.707 115.014 115.700 0.035 0.000 2.402 501 S HA -0.009 4.461 4.470 0.000 0.000 0.229 501 S C 2.041 176.661 174.600 0.033 0.000 1.021 501 S CA 0.839 59.057 58.200 0.031 0.000 0.974 501 S CB -0.479 62.732 63.200 0.019 0.000 0.800 501 S HN 0.427 nan 8.310 nan 0.000 0.484 502 A N 1.775 124.610 122.820 0.025 0.000 1.930 502 A HA 0.430 4.750 4.320 0.000 0.000 0.217 502 A C 2.467 180.081 177.584 0.049 0.000 1.175 502 A CA 1.433 53.476 52.037 0.011 0.000 0.627 502 A CB -1.256 17.720 19.000 -0.039 0.000 0.815 502 A HN 0.823 nan 8.150 nan 0.000 0.443 503 A N -0.271 122.608 122.820 0.099 0.000 1.929 503 A HA -0.068 4.252 4.320 0.000 0.000 0.216 503 A C 1.903 179.582 177.584 0.159 0.000 1.176 503 A CA 1.428 53.578 52.037 0.188 0.000 0.628 503 A CB -0.360 18.797 19.000 0.263 0.000 0.816 503 A HN 0.590 nan 8.150 nan 0.000 0.444 504 E N 0.178 120.441 120.200 0.105 0.000 2.158 504 E HA -0.108 4.242 4.350 0.000 0.000 0.191 504 E C 2.327 178.974 176.600 0.077 0.000 0.982 504 E CA 1.206 57.657 56.400 0.084 0.000 0.823 504 E CB -0.068 29.667 29.700 0.058 0.000 0.766 504 E HN 0.782 nan 8.360 nan 0.000 0.468 505 S N 0.411 116.153 115.700 0.069 0.000 2.395 505 S HA -0.118 4.352 4.470 0.000 0.000 0.225 505 S C 2.271 176.913 174.600 0.071 0.000 1.027 505 S CA 1.318 59.553 58.200 0.058 0.000 0.965 505 S CB -0.577 62.648 63.200 0.041 0.000 0.812 505 S HN 0.302 nan 8.310 nan 0.000 0.482 506 T N -0.035 114.576 114.554 0.095 0.000 3.023 506 T HA 0.127 4.477 4.350 0.000 0.000 0.266 506 T C 1.521 176.309 174.700 0.147 0.000 1.093 506 T CA 0.879 63.051 62.100 0.120 0.000 1.129 506 T CB -0.515 68.446 68.868 0.155 0.000 0.899 506 T HN 0.512 nan 8.240 nan 0.000 0.491 507 E N 0.519 120.818 120.200 0.166 0.000 2.204 507 E HA -0.026 4.324 4.350 0.000 0.000 0.194 507 E C 2.000 178.648 176.600 0.080 0.000 0.989 507 E CA 1.085 57.569 56.400 0.140 0.000 0.824 507 E CB -0.217 29.571 29.700 0.146 0.000 0.756 507 E HN 0.625 nan 8.360 nan 0.000 0.477 508 M N 0.174 119.816 119.600 0.071 0.000 2.299 508 M HA -0.038 4.442 4.480 0.000 0.000 0.264 508 M C 1.866 178.193 176.300 0.045 0.000 1.095 508 M CA 1.011 56.342 55.300 0.052 0.000 1.165 508 M CB 0.193 32.823 32.600 0.049 0.000 1.349 508 M HN 0.051 nan 8.290 nan 0.000 0.446 509 L N 0.776 122.027 121.223 0.047 0.000 2.042 509 L HA -0.224 4.116 4.340 0.000 0.000 0.210 509 L C 2.371 179.257 176.870 0.028 0.000 1.076 509 L CA 1.272 56.135 54.840 0.039 0.000 0.749 509 L CB -0.769 41.311 42.059 0.036 0.000 0.893 509 L HN 0.394 nan 8.230 nan 0.000 0.432 510 L N -0.749 120.488 121.223 0.023 0.000 2.191 510 L HA -0.189 4.151 4.340 0.000 0.000 0.212 510 L C 2.613 179.482 176.870 -0.002 0.000 1.103 510 L CA 1.047 55.885 54.840 -0.004 0.000 0.769 510 L CB -0.440 41.598 42.059 -0.034 0.000 0.908 510 L HN 0.215 nan 8.230 nan 0.000 0.438 511 R N -0.185 120.325 120.500 0.016 0.000 2.276 511 R HA 0.093 4.433 4.340 0.000 0.000 0.203 511 R C 0.504 176.817 176.300 0.021 0.000 1.017 511 R CA 0.254 56.368 56.100 0.023 0.000 1.010 511 R CB -0.093 30.226 30.300 0.032 0.000 0.900 511 R HN 0.288 nan 8.270 nan 0.000 0.469 512 I N 2.152 122.735 120.570 0.022 0.000 2.496 512 I HA -0.056 4.114 4.170 0.000 0.000 0.285 512 I C 0.918 177.047 176.117 0.019 0.000 1.080 512 I CA 0.205 61.521 61.300 0.026 0.000 1.404 512 I CB 0.937 38.960 38.000 0.039 0.000 1.403 512 I HN 0.120 nan 8.210 nan 0.000 0.539 513 D N 3.518 123.930 120.400 0.020 0.000 2.486 513 D HA 0.067 4.707 4.640 0.000 0.000 0.243 513 D C -0.087 176.230 176.300 0.029 0.000 1.146 513 D CA 0.047 54.054 54.000 0.013 0.000 0.821 513 D CB 0.698 41.495 40.800 -0.005 0.000 1.201 513 D HN 0.422 nan 8.370 nan 0.000 0.525 514 D N 0.438 120.860 120.400 0.037 0.000 2.934 514 D HA 0.369 5.009 4.640 0.000 0.000 0.230 514 D C -1.315 175.016 176.300 0.051 0.000 1.204 514 D CA -0.452 53.572 54.000 0.041 0.000 0.873 514 D CB 3.022 43.834 40.800 0.019 0.000 1.645 514 D HN -0.191 nan 8.370 nan 0.000 0.502 515 V N 3.940 123.893 119.914 0.065 0.000 2.656 515 V HA 0.545 4.665 4.120 0.000 0.000 0.307 515 V C 0.057 176.139 176.094 -0.019 0.000 1.051 515 V CA -0.700 61.637 62.300 0.063 0.000 0.893 515 V CB 2.054 33.981 31.823 0.175 0.000 0.999 515 V HN 0.464 nan 8.190 nan 0.000 0.426 516 I N 3.703 124.257 120.570 -0.027 0.000 2.466 516 I HA 0.647 4.817 4.170 0.000 0.000 0.279 516 I C 0.136 176.217 176.117 -0.060 0.000 1.033 516 I CA -0.381 60.880 61.300 -0.065 0.000 1.123 516 I CB 1.532 39.506 38.000 -0.044 0.000 1.237 516 I HN 0.698 nan 8.210 nan 0.000 0.460 517 A N 5.039 127.802 122.820 -0.095 0.000 2.288 517 A HA 0.898 5.218 4.320 0.000 0.000 0.320 517 A C 0.022 177.565 177.584 -0.068 0.000 1.217 517 A CA -0.335 51.660 52.037 -0.069 0.000 0.840 517 A CB 0.987 19.951 19.000 -0.059 0.000 1.179 517 A HN 0.714 nan 8.150 nan 0.000 0.504 518 A N 1.726 124.519 122.820 -0.046 0.000 2.247 518 A HA 0.787 5.107 4.320 0.000 0.000 0.313 518 A C 0.468 178.034 177.584 -0.031 0.000 1.109 518 A CA 0.162 52.175 52.037 -0.039 0.000 0.890 518 A CB 0.130 19.113 19.000 -0.029 0.000 1.239 518 A HN 1.231 nan 8.150 nan 0.000 0.506 519 E N 0.000 120.185 120.200 -0.026 0.000 2.725 519 E HA 0.000 4.350 4.350 0.000 0.000 0.291 519 E CA 0.000 56.389 56.400 -0.019 0.000 0.976 519 E CB 0.000 29.692 29.700 -0.014 0.000 0.812 519 E HN 0.000 nan 8.360 nan 0.000 0.440