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_A 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 0.780 120.338 119.600 -0.069 0.000 2.817 12 M HA 0.251 4.732 4.480 0.000 0.000 0.228 12 M C -0.283 175.955 176.300 -0.103 0.000 1.644 12 M CA 0.569 55.827 55.300 -0.070 0.000 1.177 12 M CB 0.648 33.215 32.600 -0.056 0.000 1.302 12 M HN 0.226 nan 8.290 nan 0.000 0.565 13 K N 1.194 121.503 120.400 -0.152 0.000 2.507 13 K HA 0.518 4.838 4.320 0.000 0.000 0.252 13 K C -1.052 175.301 176.600 -0.411 0.000 0.943 13 K CA -0.390 55.736 56.287 -0.268 0.000 0.808 13 K CB 2.895 35.241 32.500 -0.258 0.000 1.142 13 K HN 0.014 nan 8.250 nan 0.000 0.426 14 R N 3.058 123.278 120.500 -0.468 0.000 2.532 14 R HA 0.320 4.660 4.340 0.000 0.000 0.297 14 R C -1.551 174.481 176.300 -0.445 0.000 0.984 14 R CA -0.624 55.225 56.100 -0.419 0.000 0.884 14 R CB 0.909 31.098 30.300 -0.185 0.000 1.182 14 R HN 0.455 nan 8.270 nan 0.000 0.442 15 Y N 3.926 124.223 120.300 -0.005 0.000 2.328 15 Y HA 0.405 4.956 4.550 0.000 0.000 0.337 15 Y C 0.287 176.186 175.900 -0.001 0.000 1.008 15 Y CA -0.962 57.138 58.100 -0.000 0.000 1.129 15 Y CB 1.544 40.009 38.460 0.007 0.000 1.185 15 Y HN 0.236 nan 8.280 nan 0.000 0.476 16 M N 2.887 122.567 119.600 0.134 0.000 2.157 16 M HA 0.322 4.802 4.480 0.000 0.000 0.354 16 M C 1.120 177.452 176.300 0.054 0.000 1.170 16 M CA -0.023 55.317 55.300 0.067 0.000 1.060 16 M CB 0.779 33.403 32.600 0.039 0.000 1.615 16 M HN 0.988 nan 8.290 nan 0.000 0.460 17 G N 4.638 113.458 108.800 0.034 0.000 2.774 17 G HA2 -0.415 3.545 3.960 0.000 0.000 0.342 17 G HA3 -0.415 3.545 3.960 0.000 0.000 0.342 17 G C 1.102 176.005 174.900 0.005 0.000 1.185 17 G CA 1.085 46.190 45.100 0.009 0.000 0.956 17 G HN 0.691 nan 8.290 nan 0.000 0.561 18 R N 0.878 121.377 120.500 -0.002 0.000 2.148 18 R HA 0.092 4.432 4.340 0.000 0.000 0.227 18 R C 2.204 178.502 176.300 -0.003 0.000 1.103 18 R CA 1.594 57.689 56.100 -0.009 0.000 0.983 18 R CB -0.282 30.010 30.300 -0.013 0.000 0.874 18 R HN 0.535 nan 8.270 nan 0.000 0.451 19 D N 0.414 120.825 120.400 0.018 0.000 2.103 19 D HA -0.042 4.598 4.640 0.000 0.000 0.199 19 D C 1.855 178.159 176.300 0.007 0.000 0.978 19 D CA 1.497 55.506 54.000 0.015 0.000 0.829 19 D CB -0.274 40.568 40.800 0.070 0.000 0.981 19 D HN 0.225 nan 8.370 nan 0.000 0.464 20 A N 0.795 123.659 122.820 0.073 0.000 1.930 20 A HA -0.208 4.112 4.320 0.000 0.000 0.217 20 A C 2.122 179.727 177.584 0.036 0.000 1.175 20 A CA 1.358 53.451 52.037 0.093 0.000 0.627 20 A CB -0.588 18.489 19.000 0.128 0.000 0.815 20 A HN 0.186 nan 8.150 nan 0.000 0.443 21 Q N -1.165 118.644 119.800 0.014 0.000 2.079 21 Q HA -0.133 4.207 4.340 0.000 0.000 0.200 21 Q C 2.355 178.343 176.000 -0.020 0.000 0.974 21 Q CA 1.553 57.353 55.803 -0.005 0.000 0.840 21 Q CB -0.129 28.597 28.738 -0.019 0.000 0.898 21 Q HN 0.657 nan 8.270 nan 0.000 0.430 22 R N -0.125 120.357 120.500 -0.030 0.000 2.148 22 R HA -0.085 4.255 4.340 0.000 0.000 0.223 22 R C 2.095 178.356 176.300 -0.066 0.000 1.088 22 R CA 0.778 56.850 56.100 -0.046 0.000 0.985 22 R CB 0.029 30.302 30.300 -0.045 0.000 0.880 22 R HN 0.172 nan 8.270 nan 0.000 0.451 23 M N 0.980 120.533 119.600 -0.079 0.000 2.086 23 M HA -0.136 4.344 4.480 0.000 0.000 0.261 23 M C 1.262 177.530 176.300 -0.054 0.000 1.067 23 M CA 1.795 57.039 55.300 -0.093 0.000 1.116 23 M CB -0.222 32.267 32.600 -0.186 0.000 1.348 23 M HN 0.088 nan 8.290 nan 0.000 0.407 24 N N 0.181 118.873 118.700 -0.013 0.000 2.092 24 N HA -0.028 4.712 4.740 0.000 0.000 0.189 24 N C 1.864 177.323 175.510 -0.085 0.000 1.040 24 N CA 1.811 54.845 53.050 -0.027 0.000 0.845 24 N CB -0.633 37.873 38.487 0.033 0.000 1.017 24 N HN 0.411 nan 8.380 nan 0.000 0.426 25 I N 1.010 121.548 120.570 -0.054 0.000 2.236 25 I HA -0.265 3.905 4.170 0.000 0.000 0.249 25 I C 2.267 178.338 176.117 -0.075 0.000 1.102 25 I CA 0.916 62.186 61.300 -0.051 0.000 1.365 25 I CB -0.160 37.820 38.000 -0.034 0.000 1.051 25 I HN 0.120 nan 8.210 nan 0.000 0.420 26 L N 0.361 121.525 121.223 -0.097 0.000 2.072 26 L HA -0.131 4.209 4.340 0.000 0.000 0.205 26 L C 2.733 179.508 176.870 -0.158 0.000 1.079 26 L CA 1.391 56.167 54.840 -0.107 0.000 0.752 26 L CB -0.282 41.718 42.059 -0.099 0.000 0.906 26 L HN 0.197 nan 8.230 nan 0.000 0.436 27 A N -0.351 122.307 122.820 -0.270 0.000 1.972 27 A HA -0.142 4.178 4.320 0.000 0.000 0.219 27 A C 2.221 179.665 177.584 -0.233 0.000 1.169 27 A CA 1.651 53.440 52.037 -0.414 0.000 0.635 27 A CB -1.220 17.154 19.000 -1.043 0.000 0.810 27 A HN 0.537 nan 8.150 nan 0.000 0.446 28 G N -0.996 107.708 108.800 -0.158 0.000 2.396 28 G HA2 -0.131 3.829 3.960 0.000 0.000 0.214 28 G HA3 -0.131 3.829 3.960 0.000 0.000 0.214 28 G C 1.736 176.594 174.900 -0.071 0.000 1.166 28 G CA 0.591 45.637 45.100 -0.090 0.000 0.793 28 G HN 0.515 nan 8.290 nan 0.000 0.533 29 R N -0.436 120.021 120.500 -0.071 0.000 2.120 29 R HA 0.134 4.474 4.340 0.000 0.000 0.234 29 R C 2.346 178.612 176.300 -0.057 0.000 1.123 29 R CA 0.741 56.807 56.100 -0.056 0.000 0.975 29 R CB -0.264 30.005 30.300 -0.052 0.000 0.866 29 R HN 0.386 nan 8.270 nan 0.000 0.446 30 I N 1.048 121.576 120.570 -0.070 0.000 2.500 30 I HA -0.156 4.014 4.170 0.000 0.000 0.252 30 I C 2.048 178.135 176.117 -0.049 0.000 1.142 30 I CA 0.865 62.129 61.300 -0.060 0.000 1.451 30 I CB 0.205 38.163 38.000 -0.069 0.000 1.093 30 I HN 0.125 nan 8.210 nan 0.000 0.430 31 I N -1.949 118.589 120.570 -0.053 0.000 3.059 31 I HA 0.118 4.288 4.170 0.000 0.000 0.270 31 I C 2.250 178.347 176.117 -0.033 0.000 1.238 31 I CA 0.924 62.202 61.300 -0.037 0.000 1.478 31 I CB -0.424 37.556 38.000 -0.032 0.000 1.097 31 I HN -0.016 nan 8.210 nan 0.000 0.455 32 A N 1.437 124.234 122.820 -0.038 0.000 2.014 32 A HA -0.047 4.273 4.320 0.000 0.000 0.218 32 A C 2.135 179.699 177.584 -0.034 0.000 1.163 32 A CA 1.148 53.163 52.037 -0.036 0.000 0.652 32 A CB -0.479 18.497 19.000 -0.040 0.000 0.808 32 A HN 0.570 nan 8.150 nan 0.000 0.449 33 E N -0.853 119.326 120.200 -0.034 0.000 2.435 33 E HA -0.035 4.315 4.350 0.000 0.000 0.195 33 E C 1.440 178.024 176.600 -0.027 0.000 1.029 33 E CA 0.850 57.231 56.400 -0.031 0.000 0.865 33 E CB -0.005 29.676 29.700 -0.032 0.000 0.833 33 E HN 0.538 nan 8.360 nan 0.000 0.510 34 T N 0.393 114.932 114.554 -0.025 0.000 2.951 34 T HA -0.090 4.260 4.350 0.000 0.000 0.268 34 T C 1.949 176.638 174.700 -0.019 0.000 1.073 34 T CA 1.227 63.315 62.100 -0.020 0.000 1.134 34 T CB 0.139 68.997 68.868 -0.018 0.000 0.884 34 T HN 0.176 nan 8.240 nan 0.000 0.479 35 V N -1.120 118.781 119.914 -0.020 0.000 3.660 35 V HA 0.344 4.465 4.120 0.000 0.000 0.276 35 V C 2.032 178.112 176.094 -0.022 0.000 1.317 35 V CA 0.010 62.299 62.300 -0.019 0.000 1.097 35 V CB -0.544 31.269 31.823 -0.017 0.000 0.863 35 V HN 0.165 nan 8.190 nan 0.000 0.438 36 R N 2.257 122.741 120.500 -0.026 0.000 2.117 36 R HA -0.141 4.200 4.340 0.000 0.000 0.243 36 R C 2.433 178.716 176.300 -0.028 0.000 1.143 36 R CA 1.996 58.079 56.100 -0.029 0.000 0.968 36 R CB -0.400 29.881 30.300 -0.031 0.000 0.863 36 R HN 0.792 nan 8.270 nan 0.000 0.444 37 S N -0.800 114.886 115.700 -0.024 0.000 2.607 37 S HA -0.056 4.414 4.470 0.000 0.000 0.224 37 S C 1.663 176.251 174.600 -0.021 0.000 0.969 37 S CA 0.990 59.176 58.200 -0.023 0.000 0.927 37 S CB 0.113 63.301 63.200 -0.021 0.000 0.772 37 S HN 0.421 nan 8.310 nan 0.000 0.533 38 T N -0.823 113.720 114.554 -0.019 0.000 3.065 38 T HA 0.322 4.672 4.350 0.000 0.000 0.252 38 T C 0.462 175.152 174.700 -0.017 0.000 1.099 38 T CA -0.412 61.679 62.100 -0.015 0.000 1.063 38 T CB -0.471 68.390 68.868 -0.011 0.000 0.948 38 T HN 0.380 nan 8.240 nan 0.000 0.506 39 L N 2.254 123.463 121.223 -0.024 0.000 2.361 39 L HA 0.541 4.881 4.340 0.000 0.000 0.278 39 L C 0.740 177.590 176.870 -0.034 0.000 1.113 39 L CA 1.058 55.882 54.840 -0.027 0.000 0.849 39 L CB -0.241 41.800 42.059 -0.031 0.000 1.155 39 L HN 0.709 nan 8.230 nan 0.000 0.452 40 G N 4.114 112.895 108.800 -0.030 0.000 2.541 40 G HA2 -0.150 3.810 3.960 0.000 0.000 0.686 40 G HA3 -0.150 3.810 3.960 0.000 0.000 0.686 40 G C -2.648 172.234 174.900 -0.030 0.000 1.286 40 G CA -0.486 44.588 45.100 -0.044 0.000 0.894 40 G HN 0.439 nan 8.290 nan 0.000 0.575 41 P HA 0.080 nan 4.420 nan 0.000 0.221 41 P C 1.249 178.538 177.300 -0.019 0.000 1.150 41 P CA 1.137 64.242 63.100 0.009 0.000 0.800 41 P CB 0.173 31.888 31.700 0.025 0.000 0.787 42 K N -0.245 120.098 120.400 -0.094 0.000 2.493 42 K HA 0.275 4.595 4.320 0.000 0.000 0.207 42 K C 1.018 177.591 176.600 -0.045 0.000 1.033 42 K CA -0.019 56.223 56.287 -0.075 0.000 1.161 42 K CB 0.304 32.725 32.500 -0.132 0.000 0.873 42 K HN 0.083 nan 8.250 nan 0.000 0.491 43 G N 0.757 109.538 108.800 -0.032 0.000 2.562 43 G HA2 0.410 4.370 3.960 0.000 0.000 0.275 43 G HA3 0.410 4.370 3.960 0.000 0.000 0.275 43 G C -0.008 174.886 174.900 -0.010 0.000 1.196 43 G CA -0.478 44.608 45.100 -0.023 0.000 0.908 43 G HN -0.052 nan 8.290 nan 0.000 0.524 44 M N 0.478 120.071 119.600 -0.011 0.000 2.644 44 M HA 0.343 4.823 4.480 0.000 0.000 0.316 44 M C -0.934 175.363 176.300 -0.006 0.000 1.200 44 M CA -0.771 54.525 55.300 -0.007 0.000 0.944 44 M CB 1.947 34.541 32.600 -0.009 0.000 1.691 44 M HN 0.364 nan 8.290 nan 0.000 0.471 45 D N 1.600 121.997 120.400 -0.004 0.000 2.348 45 D HA 0.423 5.063 4.640 0.000 0.000 0.249 45 D C -0.202 176.092 176.300 -0.009 0.000 1.110 45 D CA -0.132 53.865 54.000 -0.004 0.000 0.967 45 D CB 1.098 41.896 40.800 -0.002 0.000 1.139 45 D HN 0.177 nan 8.370 nan 0.000 0.466 46 K N 0.587 120.981 120.400 -0.010 0.000 2.259 46 K HA 0.447 4.767 4.320 0.000 0.000 0.249 46 K C -0.515 176.073 176.600 -0.019 0.000 0.942 46 K CA -0.761 55.518 56.287 -0.013 0.000 0.816 46 K CB 2.444 34.938 32.500 -0.011 0.000 1.155 46 K HN 0.404 nan 8.250 nan 0.000 0.428 47 M N 3.416 123.002 119.600 -0.024 0.000 2.101 47 M HA 0.283 4.763 4.480 0.000 0.000 0.340 47 M C -1.627 174.656 176.300 -0.028 0.000 1.057 47 M CA -0.858 54.420 55.300 -0.036 0.000 0.984 47 M CB 0.469 33.041 32.600 -0.046 0.000 1.560 47 M HN 0.360 nan 8.290 nan 0.000 0.435 48 L N 6.214 127.421 121.223 -0.026 0.000 2.287 48 L HA 0.607 4.947 4.340 0.000 0.000 0.287 48 L C -0.846 176.015 176.870 -0.014 0.000 1.022 48 L CA -0.359 54.473 54.840 -0.014 0.000 0.814 48 L CB 1.789 43.845 42.059 -0.004 0.000 1.217 48 L HN 0.456 nan 8.230 nan 0.000 0.420 49 V N 2.018 121.926 119.914 -0.010 0.000 2.628 49 V HA 0.580 4.700 4.120 0.000 0.000 0.306 49 V C -0.355 175.740 176.094 0.001 0.000 1.045 49 V CA -0.783 61.514 62.300 -0.006 0.000 0.905 49 V CB 1.829 33.645 31.823 -0.011 0.000 0.997 49 V HN 0.821 nan 8.190 nan 0.000 0.436 50 D N 1.748 122.152 120.400 0.007 0.000 2.589 50 D HA 0.215 4.855 4.640 0.000 0.000 0.268 50 D C 0.578 176.882 176.300 0.008 0.000 1.182 50 D CA -0.187 53.818 54.000 0.008 0.000 1.087 50 D CB 0.349 41.156 40.800 0.012 0.000 1.186 50 D HN 0.516 nan 8.370 nan 0.000 0.620 51 D N -0.961 119.444 120.400 0.008 0.000 2.277 51 D HA -0.050 4.590 4.640 0.000 0.000 0.208 51 D C 1.800 178.105 176.300 0.008 0.000 0.962 51 D CA 0.621 54.626 54.000 0.008 0.000 0.865 51 D CB -0.338 40.466 40.800 0.007 0.000 0.939 51 D HN 0.253 nan 8.370 nan 0.000 0.510 52 L N -0.746 120.483 121.223 0.011 0.000 2.509 52 L HA 0.323 4.663 4.340 0.000 0.000 0.222 52 L C 1.639 178.517 176.870 0.014 0.000 1.123 52 L CA 0.551 55.398 54.840 0.012 0.000 0.856 52 L CB 0.111 42.178 42.059 0.014 0.000 0.985 52 L HN 0.394 nan 8.230 nan 0.000 0.456 53 G N -0.728 108.080 108.800 0.013 0.000 2.176 53 G HA2 -0.217 3.743 3.960 0.000 0.000 0.232 53 G HA3 -0.217 3.743 3.960 0.000 0.000 0.232 53 G C -0.145 174.767 174.900 0.021 0.000 0.986 53 G CA -0.256 44.852 45.100 0.014 0.000 0.643 53 G HN 0.277 nan 8.290 nan 0.000 0.522 54 D N 0.654 121.071 120.400 0.029 0.000 2.371 54 D HA 0.394 5.034 4.640 0.000 0.000 0.256 54 D C 0.345 176.672 176.300 0.045 0.000 1.193 54 D CA 0.235 54.265 54.000 0.049 0.000 0.881 54 D CB 2.020 42.848 40.800 0.047 0.000 1.143 54 D HN 0.336 nan 8.370 nan 0.000 0.473 55 V N 3.497 123.443 119.914 0.054 0.000 2.483 55 V HA 0.487 4.607 4.120 0.000 0.000 0.295 55 V C -0.774 175.329 176.094 0.014 0.000 1.035 55 V CA -0.513 61.777 62.300 -0.017 0.000 0.896 55 V CB 1.945 33.697 31.823 -0.118 0.000 0.986 55 V HN 0.239 nan 8.190 nan 0.000 0.447 56 V N 7.085 126.995 119.914 -0.005 0.000 2.525 56 V HA 0.552 4.672 4.120 0.000 0.000 0.299 56 V C -0.713 175.371 176.094 -0.017 0.000 1.034 56 V CA -0.293 62.027 62.300 0.033 0.000 0.863 56 V CB 2.229 34.102 31.823 0.084 0.000 0.999 56 V HN 0.764 nan 8.190 nan 0.000 0.423 57 V N 6.048 125.943 119.914 -0.032 0.000 2.370 57 V HA 0.714 4.835 4.120 0.000 0.000 0.279 57 V C 0.201 176.300 176.094 0.009 0.000 1.029 57 V CA 0.042 62.324 62.300 -0.029 0.000 0.870 57 V CB 1.504 33.293 31.823 -0.056 0.000 0.984 57 V HN 0.976 nan 8.190 nan 0.000 0.451 58 T N 2.925 117.482 114.554 0.006 0.000 2.853 58 T HA 0.294 4.644 4.350 0.000 0.000 0.311 58 T C 0.280 174.984 174.700 0.006 0.000 1.307 58 T CA -0.516 61.591 62.100 0.012 0.000 1.019 58 T CB 1.943 70.822 68.868 0.017 0.000 1.264 58 T HN 0.612 nan 8.240 nan 0.000 0.497 59 N N 1.377 120.082 118.700 0.008 0.000 2.254 59 N HA 0.060 4.800 4.740 0.000 0.000 0.190 59 N C -0.368 175.144 175.510 0.004 0.000 1.107 59 N CA -0.023 53.030 53.050 0.005 0.000 0.869 59 N CB 0.353 38.844 38.487 0.008 0.000 0.983 59 N HN 0.625 nan 8.380 nan 0.000 0.487 60 D N -0.265 120.139 120.400 0.006 0.000 2.401 60 D HA 0.152 4.792 4.640 0.000 0.000 0.254 60 D C 1.343 177.644 176.300 0.002 0.000 1.192 60 D CA 0.166 54.169 54.000 0.005 0.000 0.885 60 D CB 1.145 41.949 40.800 0.007 0.000 1.147 60 D HN 0.266 nan 8.370 nan 0.000 0.478 61 G N 2.620 111.420 108.800 -0.001 0.000 2.453 61 G HA2 -0.230 3.730 3.960 0.000 0.000 0.215 61 G HA3 -0.230 3.730 3.960 0.000 0.000 0.215 61 G C 1.570 176.469 174.900 -0.002 0.000 1.201 61 G CA 0.671 45.769 45.100 -0.004 0.000 0.784 61 G HN 0.491 nan 8.290 nan 0.000 0.545 62 V N 1.872 121.785 119.914 -0.001 0.000 2.324 62 V HA -0.224 3.896 4.120 0.000 0.000 0.250 62 V C 3.288 179.384 176.094 0.003 0.000 1.060 62 V CA 3.419 65.719 62.300 0.001 0.000 1.042 62 V CB -0.906 30.918 31.823 0.002 0.000 0.650 62 V HN 0.638 nan 8.190 nan 0.000 0.450 63 T N -1.996 112.561 114.554 0.005 0.000 2.929 63 T HA -0.112 4.238 4.350 0.000 0.000 0.271 63 T C 1.764 176.469 174.700 0.007 0.000 1.085 63 T CA 1.831 63.935 62.100 0.007 0.000 1.125 63 T CB -0.506 68.368 68.868 0.010 0.000 0.874 63 T HN 0.525 nan 8.240 nan 0.000 0.494 64 I N 0.636 121.209 120.570 0.004 0.000 2.193 64 I HA -0.018 4.152 4.170 0.000 0.000 0.240 64 I C 2.492 178.610 176.117 0.002 0.000 1.084 64 I CA 1.056 62.358 61.300 0.002 0.000 1.365 64 I CB -0.314 37.685 38.000 -0.001 0.000 1.064 64 I HN 0.182 nan 8.210 nan 0.000 0.410 65 L N 0.133 121.357 121.223 0.001 0.000 2.083 65 L HA -0.181 4.159 4.340 0.000 0.000 0.209 65 L C 2.765 179.638 176.870 0.006 0.000 1.083 65 L CA 1.319 56.161 54.840 0.002 0.000 0.752 65 L CB -0.594 41.465 42.059 0.000 0.000 0.899 65 L HN 0.159 nan 8.230 nan 0.000 0.433 66 R N 0.324 120.828 120.500 0.006 0.000 2.073 66 R HA -0.109 4.231 4.340 0.000 0.000 0.234 66 R C 0.881 177.187 176.300 0.009 0.000 1.134 66 R CA 1.175 57.280 56.100 0.008 0.000 0.952 66 R CB -0.075 30.229 30.300 0.008 0.000 0.850 66 R HN 0.406 nan 8.270 nan 0.000 0.433 67 E N 0.914 121.120 120.200 0.009 0.000 2.411 67 E HA 0.111 4.461 4.350 0.000 0.000 0.228 67 E C -0.290 176.315 176.600 0.009 0.000 1.169 67 E CA -0.204 56.203 56.400 0.011 0.000 1.421 67 E CB 0.386 30.094 29.700 0.013 0.000 1.333 67 E HN 0.263 nan 8.360 nan 0.000 0.434 68 M N -2.290 117.316 119.600 0.009 0.000 2.446 68 M HA 0.483 4.963 4.480 0.000 0.000 0.294 68 M C -0.775 175.532 176.300 0.011 0.000 1.158 68 M CA -0.794 54.511 55.300 0.008 0.000 0.899 68 M CB 2.148 34.752 32.600 0.006 0.000 1.687 68 M HN -0.329 nan 8.290 nan 0.000 0.455 69 S N 2.507 118.214 115.700 0.012 0.000 2.686 69 S HA 0.332 4.802 4.470 0.000 0.000 0.324 69 S C -0.271 174.341 174.600 0.020 0.000 1.172 69 S CA -0.521 57.688 58.200 0.015 0.000 1.127 69 S CB -0.641 62.567 63.200 0.013 0.000 1.338 69 S HN 0.455 nan 8.310 nan 0.000 0.547 70 V N 3.982 123.910 119.914 0.024 0.000 2.394 70 V HA 0.323 4.443 4.120 0.000 0.000 0.282 70 V C 0.785 176.905 176.094 0.044 0.000 1.031 70 V CA -0.397 61.923 62.300 0.034 0.000 0.881 70 V CB 1.585 33.427 31.823 0.031 0.000 0.982 70 V HN 0.664 nan 8.190 nan 0.000 0.451 71 E N 1.054 121.290 120.200 0.060 0.000 2.453 71 E HA 0.082 4.432 4.350 0.000 0.000 0.211 71 E C 0.537 177.179 176.600 0.070 0.000 0.897 71 E CA -0.074 56.357 56.400 0.051 0.000 1.063 71 E CB 0.248 29.966 29.700 0.031 0.000 1.080 71 E HN 0.690 nan 8.360 nan 0.000 0.512 72 H N 3.935 123.013 119.070 0.013 0.000 3.026 72 H HA 0.036 4.592 4.556 0.000 0.000 0.289 72 H C -1.529 173.810 175.328 0.017 0.000 1.022 72 H CA -1.594 54.463 56.048 0.016 0.000 1.477 72 H CB 1.171 30.936 29.762 0.005 0.000 1.510 72 H HN -0.133 nan 8.280 nan 0.000 0.535 73 P HA -0.205 nan 4.420 nan 0.000 0.217 73 P C 1.108 178.527 177.300 0.200 0.000 1.151 73 P CA 1.876 65.059 63.100 0.137 0.000 0.849 73 P CB 0.122 31.858 31.700 0.059 0.000 0.787 74 A N 0.060 123.093 122.820 0.356 0.000 1.929 74 A HA 0.050 4.371 4.320 0.000 0.000 0.216 74 A C 2.463 180.075 177.584 0.047 0.000 1.176 74 A CA 1.825 53.951 52.037 0.148 0.000 0.628 74 A CB -1.352 17.695 19.000 0.078 0.000 0.816 74 A HN 0.231 nan 8.150 nan 0.000 0.444 75 A N 0.131 122.970 122.820 0.032 0.000 1.873 75 A HA -0.128 4.192 4.320 0.000 0.000 0.215 75 A C 2.050 179.653 177.584 0.032 0.000 1.186 75 A CA 1.729 53.766 52.037 -0.000 0.000 0.616 75 A CB -0.452 18.540 19.000 -0.013 0.000 0.823 75 A HN 0.505 nan 8.150 nan 0.000 0.442 76 K N -0.942 119.495 120.400 0.061 0.000 2.160 76 K HA -0.106 4.214 4.320 0.000 0.000 0.206 76 K C 1.862 178.483 176.600 0.035 0.000 1.047 76 K CA 1.786 58.100 56.287 0.046 0.000 0.930 76 K CB -0.254 32.276 32.500 0.051 0.000 0.720 76 K HN 0.506 nan 8.250 nan 0.000 0.450 77 M N -0.305 119.319 119.600 0.040 0.000 2.506 77 M HA -0.041 4.439 4.480 0.000 0.000 0.260 77 M C 1.550 177.865 176.300 0.024 0.000 1.104 77 M CA 0.624 55.944 55.300 0.033 0.000 1.112 77 M CB 0.270 32.894 32.600 0.041 0.000 1.401 77 M HN 0.080 nan 8.290 nan 0.000 0.473 78 L N -0.273 120.959 121.223 0.016 0.000 2.477 78 L HA 0.122 4.462 4.340 0.000 0.000 0.220 78 L C 1.782 178.654 176.870 0.004 0.000 1.106 78 L CA 0.837 55.681 54.840 0.007 0.000 0.851 78 L CB -0.023 42.032 42.059 -0.005 0.000 0.994 78 L HN 0.183 nan 8.230 nan 0.000 0.462 79 I N -0.748 119.826 120.570 0.008 0.000 2.394 79 I HA -0.193 3.977 4.170 0.000 0.000 0.251 79 I C 1.994 178.116 176.117 0.009 0.000 1.136 79 I CA 0.659 61.963 61.300 0.007 0.000 1.425 79 I CB -0.223 37.783 38.000 0.010 0.000 1.079 79 I HN 0.256 nan 8.210 nan 0.000 0.425 80 E N 0.511 120.719 120.200 0.012 0.000 2.209 80 E HA -0.174 4.176 4.350 0.000 0.000 0.196 80 E C 2.365 178.971 176.600 0.011 0.000 0.993 80 E CA 1.124 57.532 56.400 0.013 0.000 0.819 80 E CB -0.175 29.535 29.700 0.017 0.000 0.745 80 E HN 0.376 nan 8.360 nan 0.000 0.477 81 V N 1.153 121.072 119.914 0.009 0.000 2.453 81 V HA -0.190 3.930 4.120 0.000 0.000 0.247 81 V C 2.347 178.443 176.094 0.003 0.000 1.048 81 V CA 1.699 64.003 62.300 0.007 0.000 1.049 81 V CB -0.565 31.261 31.823 0.004 0.000 0.672 81 V HN 0.249 nan 8.190 nan 0.000 0.457 82 A N -0.523 122.298 122.820 0.001 0.000 1.930 82 A HA -0.132 4.189 4.320 0.000 0.000 0.215 82 A C 2.309 179.895 177.584 0.002 0.000 1.176 82 A CA 1.545 53.582 52.037 -0.000 0.000 0.632 82 A CB -0.368 18.631 19.000 -0.002 0.000 0.819 82 A HN 0.448 nan 8.150 nan 0.000 0.445 83 K N -0.150 120.252 120.400 0.004 0.000 2.097 83 K HA -0.137 4.183 4.320 0.000 0.000 0.206 83 K C 1.730 178.333 176.600 0.005 0.000 1.049 83 K CA 1.790 58.080 56.287 0.005 0.000 0.933 83 K CB -0.164 32.340 32.500 0.007 0.000 0.717 83 K HN 0.606 nan 8.250 nan 0.000 0.442 84 T N -2.233 112.324 114.554 0.006 0.000 3.122 84 T HA 0.030 4.380 4.350 0.000 0.000 0.250 84 T C 1.425 176.128 174.700 0.005 0.000 1.067 84 T CA 0.057 62.160 62.100 0.006 0.000 0.966 84 T CB 0.520 69.393 68.868 0.008 0.000 1.002 84 T HN 0.155 nan 8.240 nan 0.000 0.542 85 Q N 1.994 121.796 119.800 0.003 0.000 2.204 85 Q HA 0.029 4.369 4.340 0.000 0.000 0.198 85 Q C 2.191 178.192 176.000 0.001 0.000 0.946 85 Q CA 1.442 57.246 55.803 0.002 0.000 0.859 85 Q CB -0.094 28.645 28.738 0.000 0.000 0.946 85 Q HN 0.825 nan 8.270 nan 0.000 0.474 86 E N -0.387 119.814 120.200 0.001 0.000 2.150 86 E HA -0.210 4.140 4.350 0.000 0.000 0.193 86 E C 1.736 178.336 176.600 0.001 0.000 0.985 86 E CA 1.119 57.520 56.400 0.001 0.000 0.814 86 E CB -0.142 29.559 29.700 0.001 0.000 0.752 86 E HN 0.059 nan 8.360 nan 0.000 0.466 87 K N 0.634 121.035 120.400 0.002 0.000 2.097 87 K HA -0.094 4.226 4.320 0.000 0.000 0.205 87 K C 1.837 178.437 176.600 0.001 0.000 1.050 87 K CA 1.388 57.676 56.287 0.001 0.000 0.938 87 K CB 0.274 32.776 32.500 0.003 0.000 0.718 87 K HN 0.103 nan 8.250 nan 0.000 0.442 88 E N -1.177 119.024 120.200 0.002 0.000 2.340 88 E HA 0.065 4.415 4.350 0.000 0.000 0.198 88 E C 1.480 178.081 176.600 0.001 0.000 0.961 88 E CA 0.554 56.955 56.400 0.002 0.000 0.905 88 E CB 0.795 30.497 29.700 0.003 0.000 0.884 88 E HN 0.105 nan 8.360 nan 0.000 0.491 89 V N -1.428 118.487 119.914 0.001 0.000 3.029 89 V HA 0.329 4.449 4.120 0.000 0.000 0.230 89 V C 1.551 177.645 176.094 0.000 0.000 1.254 89 V CA 0.897 63.197 62.300 0.001 0.000 1.276 89 V CB 0.821 32.644 31.823 0.001 0.000 1.080 89 V HN 0.326 nan 8.190 nan 0.000 0.495 90 G N 0.504 109.304 108.800 0.000 0.000 2.339 90 G HA2 -0.185 3.775 3.960 0.000 0.000 0.209 90 G HA3 -0.185 3.775 3.960 0.000 0.000 0.209 90 G C -0.134 174.767 174.900 0.001 0.000 1.015 90 G CA 0.300 45.400 45.100 -0.000 0.000 0.635 90 G HN 0.576 nan 8.290 nan 0.000 0.499 91 D N -0.928 119.473 120.400 0.001 0.000 2.547 91 D HA 0.600 5.240 4.640 0.000 0.000 0.231 91 D C 0.878 177.178 176.300 -0.000 0.000 1.099 91 D CA 0.797 54.798 54.000 0.001 0.000 0.901 91 D CB 1.119 41.921 40.800 0.003 0.000 1.478 91 D HN 1.435 nan 8.370 nan 0.000 0.471 92 G N 0.872 109.671 108.800 -0.002 0.000 2.130 92 G HA2 -0.279 3.681 3.960 0.000 0.000 0.216 92 G HA3 -0.279 3.681 3.960 0.000 0.000 0.216 92 G C 0.945 175.841 174.900 -0.007 0.000 0.999 92 G CA 0.962 46.059 45.100 -0.005 0.000 0.686 92 G HN 0.731 nan 8.290 nan 0.000 0.515 93 T N -3.035 111.516 114.554 -0.005 0.000 2.857 93 T HA -0.039 4.311 4.350 0.000 0.000 0.266 93 T C 2.251 176.945 174.700 -0.010 0.000 1.048 93 T CA 2.441 64.537 62.100 -0.006 0.000 1.139 93 T CB -0.429 68.437 68.868 -0.003 0.000 0.874 93 T HN 0.283 nan 8.240 nan 0.000 0.455 94 T N 2.713 117.260 114.554 -0.012 0.000 2.812 94 T HA -0.089 4.261 4.350 0.000 0.000 0.264 94 T C 2.468 177.154 174.700 -0.023 0.000 1.042 94 T CA 1.911 64.001 62.100 -0.016 0.000 1.140 94 T CB -0.973 67.886 68.868 -0.016 0.000 0.870 94 T HN 0.788 nan 8.240 nan 0.000 0.445 95 T N 1.327 115.868 114.554 -0.023 0.000 2.803 95 T HA -0.031 4.319 4.350 0.000 0.000 0.269 95 T C 2.237 176.915 174.700 -0.036 0.000 1.052 95 T CA 1.113 63.195 62.100 -0.031 0.000 1.136 95 T CB -0.578 68.274 68.868 -0.027 0.000 0.864 95 T HN 0.355 nan 8.240 nan 0.000 0.467 96 A N 0.864 123.668 122.820 -0.028 0.000 1.929 96 A HA 0.165 4.485 4.320 0.000 0.000 0.216 96 A C 2.598 180.163 177.584 -0.033 0.000 1.176 96 A CA 1.283 53.303 52.037 -0.028 0.000 0.628 96 A CB -0.826 18.165 19.000 -0.015 0.000 0.816 96 A HN 0.419 nan 8.150 nan 0.000 0.444 97 V N -0.506 119.391 119.914 -0.029 0.000 2.407 97 V HA -0.160 3.961 4.120 0.000 0.000 0.245 97 V C 2.527 178.597 176.094 -0.040 0.000 1.041 97 V CA 1.710 63.992 62.300 -0.029 0.000 1.040 97 V CB -0.511 31.298 31.823 -0.023 0.000 0.671 97 V HN 0.344 nan 8.190 nan 0.000 0.455 98 V N -0.271 119.617 119.914 -0.044 0.000 2.490 98 V HA -0.199 3.921 4.120 0.000 0.000 0.250 98 V C 2.373 178.423 176.094 -0.072 0.000 1.061 98 V CA 1.660 63.929 62.300 -0.053 0.000 1.064 98 V CB -0.326 31.467 31.823 -0.049 0.000 0.670 98 V HN 0.401 nan 8.190 nan 0.000 0.461 99 V N 0.153 120.017 119.914 -0.085 0.000 2.323 99 V HA -0.175 3.945 4.120 0.000 0.000 0.244 99 V C 2.709 178.719 176.094 -0.140 0.000 1.041 99 V CA 1.793 64.015 62.300 -0.130 0.000 1.025 99 V CB -0.943 30.795 31.823 -0.142 0.000 0.656 99 V HN 0.544 nan 8.190 nan 0.000 0.451 100 A N 0.496 123.259 122.820 -0.095 0.000 1.948 100 A HA -0.157 4.163 4.320 0.000 0.000 0.220 100 A C 2.369 179.923 177.584 -0.051 0.000 1.177 100 A CA 2.114 54.112 52.037 -0.065 0.000 0.636 100 A CB -1.172 17.809 19.000 -0.032 0.000 0.815 100 A HN 0.545 nan 8.150 nan 0.000 0.449 101 G N -0.743 108.025 108.800 -0.054 0.000 2.404 101 G HA2 -0.205 3.755 3.960 0.000 0.000 0.215 101 G HA3 -0.205 3.755 3.960 0.000 0.000 0.215 101 G C 1.445 176.316 174.900 -0.048 0.000 1.174 101 G CA 1.165 46.238 45.100 -0.045 0.000 0.780 101 G HN 0.571 nan 8.290 nan 0.000 0.537 102 E N -0.056 120.101 120.200 -0.070 0.000 2.347 102 E HA 0.098 4.448 4.350 0.000 0.000 0.196 102 E C 2.392 178.946 176.600 -0.077 0.000 1.008 102 E CA 0.231 56.587 56.400 -0.074 0.000 0.852 102 E CB -0.231 29.412 29.700 -0.096 0.000 0.783 102 E HN 0.450 nan 8.360 nan 0.000 0.505 103 L N -0.299 120.864 121.223 -0.100 0.000 2.179 103 L HA -0.058 4.283 4.340 0.000 0.000 0.208 103 L C 2.082 179.026 176.870 0.124 0.000 1.096 103 L CA 0.525 55.330 54.840 -0.058 0.000 0.779 103 L CB -0.154 41.810 42.059 -0.158 0.000 0.922 103 L HN 0.234 nan 8.230 nan 0.000 0.443 104 L N -0.709 120.549 121.223 0.058 0.000 2.072 104 L HA -0.152 4.188 4.340 0.000 0.000 0.205 104 L C 2.796 179.685 176.870 0.031 0.000 1.079 104 L CA 0.949 55.820 54.840 0.053 0.000 0.752 104 L CB -0.408 41.659 42.059 0.014 0.000 0.906 104 L HN 0.223 nan 8.230 nan 0.000 0.436 105 R N 0.456 120.963 120.500 0.011 0.000 2.073 105 R HA -0.158 4.182 4.340 0.000 0.000 0.234 105 R C 2.090 178.403 176.300 0.022 0.000 1.134 105 R CA 1.275 57.377 56.100 0.003 0.000 0.952 105 R CB 0.049 30.341 30.300 -0.013 0.000 0.850 105 R HN 0.116 nan 8.270 nan 0.000 0.433 106 K N -0.026 120.401 120.400 0.045 0.000 2.442 106 K HA -0.028 4.292 4.320 0.000 0.000 0.198 106 K C 1.617 178.280 176.600 0.105 0.000 1.042 106 K CA 0.946 57.278 56.287 0.074 0.000 0.958 106 K CB 0.201 32.752 32.500 0.085 0.000 0.766 106 K HN 0.293 nan 8.250 nan 0.000 0.474 107 A N 1.586 124.464 122.820 0.096 0.000 1.943 107 A HA -0.115 4.205 4.320 0.000 0.000 0.213 107 A C 1.977 179.554 177.584 -0.012 0.000 1.181 107 A CA 0.851 52.904 52.037 0.027 0.000 0.653 107 A CB -0.135 18.869 19.000 0.005 0.000 0.833 107 A HN 0.445 nan 8.150 nan 0.000 0.451 108 E N 0.301 120.500 120.200 -0.002 0.000 2.285 108 E HA -0.125 4.225 4.350 0.000 0.000 0.194 108 E C 1.299 177.894 176.600 -0.009 0.000 0.997 108 E CA 0.978 57.369 56.400 -0.014 0.000 0.845 108 E CB -0.329 29.361 29.700 -0.016 0.000 0.782 108 E HN 0.689 nan 8.360 nan 0.000 0.491 109 E N 0.840 121.042 120.200 0.002 0.000 2.204 109 E HA -0.091 4.259 4.350 0.000 0.000 0.194 109 E C 1.944 178.546 176.600 0.003 0.000 0.989 109 E CA 0.827 57.230 56.400 0.005 0.000 0.824 109 E CB 0.007 29.716 29.700 0.014 0.000 0.756 109 E HN 0.398 nan 8.360 nan 0.000 0.477 110 L N 0.022 121.245 121.223 0.000 0.000 2.249 110 L HA -0.005 4.335 4.340 0.000 0.000 0.207 110 L C 2.150 179.009 176.870 -0.018 0.000 1.090 110 L CA 0.314 55.151 54.840 -0.006 0.000 0.802 110 L CB -0.048 42.004 42.059 -0.013 0.000 0.947 110 L HN 0.123 nan 8.230 nan 0.000 0.453 111 L N -0.380 120.826 121.223 -0.029 0.000 2.240 111 L HA -0.121 4.219 4.340 0.000 0.000 0.211 111 L C 1.454 178.307 176.870 -0.030 0.000 1.106 111 L CA 0.825 55.642 54.840 -0.038 0.000 0.793 111 L CB -0.313 41.718 42.059 -0.047 0.000 0.927 111 L HN 0.197 nan 8.230 nan 0.000 0.446 112 D N -0.611 119.777 120.400 -0.020 0.000 2.347 112 D HA -0.092 4.548 4.640 0.000 0.000 0.213 112 D C 1.590 177.883 176.300 -0.011 0.000 0.985 112 D CA 0.630 54.620 54.000 -0.016 0.000 0.879 112 D CB 0.181 40.973 40.800 -0.013 0.000 0.919 112 D HN 0.294 nan 8.370 nan 0.000 0.526 113 Q N 0.113 119.908 119.800 -0.008 0.000 2.222 113 Q HA 0.163 4.503 4.340 0.000 0.000 0.206 113 Q C -0.135 175.863 176.000 -0.003 0.000 0.877 113 Q CA -0.115 55.686 55.803 -0.003 0.000 0.958 113 Q CB 0.381 29.120 28.738 0.001 0.000 1.075 113 Q HN 0.135 nan 8.270 nan 0.000 0.483 114 N N -0.823 117.872 118.700 -0.009 0.000 2.878 114 N HA -0.138 4.602 4.740 0.000 0.000 0.247 114 N C -0.692 174.820 175.510 0.004 0.000 1.021 114 N CA 0.493 53.538 53.050 -0.008 0.000 0.873 114 N CB -1.484 37.003 38.487 -0.000 0.000 1.128 114 N HN 0.054 nan 8.380 nan 0.000 0.571 115 V N 2.537 122.453 119.914 0.003 0.000 2.446 115 V HA -0.007 4.113 4.120 0.000 0.000 0.276 115 V C 1.259 177.372 176.094 0.032 0.000 1.030 115 V CA -0.166 62.148 62.300 0.022 0.000 1.033 115 V CB 0.580 32.408 31.823 0.008 0.000 0.993 115 V HN 0.228 nan 8.190 nan 0.000 0.477 116 H N 8.418 127.473 119.070 -0.025 0.000 3.064 116 H HA 0.003 4.559 4.556 0.000 0.000 0.329 116 H C -1.598 173.707 175.328 -0.039 0.000 1.020 116 H CA -1.048 54.984 56.048 -0.026 0.000 1.402 116 H CB 1.504 31.255 29.762 -0.019 0.000 1.379 116 H HN 0.398 nan 8.280 nan 0.000 0.594 117 P HA -0.149 nan 4.420 nan 0.000 0.219 117 P C 1.426 178.786 177.300 0.101 0.000 1.146 117 P CA 2.193 65.301 63.100 0.012 0.000 0.808 117 P CB 0.085 31.754 31.700 -0.052 0.000 0.779 118 T N -3.620 111.113 114.554 0.299 0.000 2.951 118 T HA -0.061 4.289 4.350 0.000 0.000 0.268 118 T C 1.683 176.409 174.700 0.043 0.000 1.073 118 T CA 0.802 62.980 62.100 0.130 0.000 1.134 118 T CB -0.817 68.082 68.868 0.052 0.000 0.884 118 T HN -0.084 nan 8.240 nan 0.000 0.479 119 I N 1.191 121.792 120.570 0.052 0.000 2.500 119 I HA 0.029 4.199 4.170 0.000 0.000 0.252 119 I C 2.584 178.694 176.117 -0.012 0.000 1.142 119 I CA 0.356 61.663 61.300 0.011 0.000 1.451 119 I CB -1.105 36.907 38.000 0.020 0.000 1.093 119 I HN 0.185 nan 8.210 nan 0.000 0.430 120 V N 0.351 120.235 119.914 -0.050 0.000 2.270 120 V HA -0.178 3.942 4.120 0.000 0.000 0.245 120 V C 2.563 178.523 176.094 -0.223 0.000 1.043 120 V CA 1.333 63.523 62.300 -0.184 0.000 1.014 120 V CB -0.495 31.170 31.823 -0.262 0.000 0.645 120 V HN 0.248 nan 8.190 nan 0.000 0.447 121 V N -0.163 119.678 119.914 -0.123 0.000 2.720 121 V HA -0.237 3.883 4.120 0.000 0.000 0.256 121 V C 2.416 178.539 176.094 0.049 0.000 1.082 121 V CA 2.383 64.668 62.300 -0.024 0.000 1.101 121 V CB -0.361 31.467 31.823 0.009 0.000 0.693 121 V HN 0.583 nan 8.190 nan 0.000 0.479 122 K N -0.358 120.059 120.400 0.028 0.000 2.031 122 K HA -0.038 4.282 4.320 0.000 0.000 0.205 122 K C 2.069 178.706 176.600 0.062 0.000 1.049 122 K CA 1.422 57.732 56.287 0.038 0.000 0.939 122 K CB -0.584 31.925 32.500 0.016 0.000 0.717 122 K HN 0.521 nan 8.250 nan 0.000 0.438 123 G N -0.461 108.386 108.800 0.078 0.000 2.422 123 G HA2 -0.218 3.742 3.960 0.000 0.000 0.218 123 G HA3 -0.218 3.742 3.960 0.000 0.000 0.218 123 G C 1.295 176.317 174.900 0.203 0.000 1.140 123 G CA 0.535 45.707 45.100 0.121 0.000 0.775 123 G HN 0.360 nan 8.290 nan 0.000 0.545 124 Y N -0.024 120.294 120.300 0.030 0.000 2.293 124 Y HA -0.121 4.429 4.550 0.000 0.000 0.291 124 Y C 3.094 178.919 175.900 -0.125 0.000 1.137 124 Y CA 1.189 59.317 58.100 0.047 0.000 1.202 124 Y CB 0.204 38.779 38.460 0.191 0.000 0.990 124 Y HN 0.254 nan 8.280 nan 0.000 0.537 125 Q N -0.062 119.797 119.800 0.098 0.000 2.163 125 Q HA -0.100 4.240 4.340 0.000 0.000 0.198 125 Q C 2.321 178.284 176.000 -0.062 0.000 0.954 125 Q CA 0.838 56.645 55.803 0.006 0.000 0.851 125 Q CB -0.017 28.746 28.738 0.043 0.000 0.928 125 Q HN 0.444 nan 8.270 nan 0.000 0.459 126 A N 0.577 123.383 122.820 -0.023 0.000 1.969 126 A HA -0.047 4.273 4.320 0.000 0.000 0.218 126 A C 2.129 179.681 177.584 -0.054 0.000 1.169 126 A CA 1.494 53.534 52.037 0.004 0.000 0.635 126 A CB -0.526 18.518 19.000 0.073 0.000 0.810 126 A HN 0.488 nan 8.150 nan 0.000 0.445 127 A N -0.475 122.222 122.820 -0.205 0.000 1.930 127 A HA 0.369 4.689 4.320 0.000 0.000 0.215 127 A C 2.372 179.546 177.584 -0.685 0.000 1.176 127 A CA 1.437 53.219 52.037 -0.426 0.000 0.632 127 A CB -0.709 17.923 19.000 -0.614 0.000 0.819 127 A HN 0.925 nan 8.150 nan 0.000 0.445 128 A N -0.896 121.478 122.820 -0.743 0.000 2.014 128 A HA -0.079 4.241 4.320 0.000 0.000 0.218 128 A C 2.056 179.516 177.584 -0.207 0.000 1.163 128 A CA 1.539 53.311 52.037 -0.442 0.000 0.652 128 A CB -0.373 18.502 19.000 -0.207 0.000 0.808 128 A HN 0.597 nan 8.150 nan 0.000 0.449 129 Q N -0.433 119.254 119.800 -0.188 0.000 2.016 129 Q HA -0.193 4.147 4.340 0.000 0.000 0.200 129 Q C 2.100 177.995 176.000 -0.175 0.000 0.978 129 Q CA 1.948 57.672 55.803 -0.132 0.000 0.833 129 Q CB -0.107 28.573 28.738 -0.096 0.000 0.895 129 Q HN 0.457 nan 8.270 nan 0.000 0.427 130 K N 0.063 120.299 120.400 -0.273 0.000 2.147 130 K HA -0.074 4.246 4.320 0.000 0.000 0.205 130 K C 1.585 178.028 176.600 -0.261 0.000 1.049 130 K CA 1.318 57.373 56.287 -0.387 0.000 0.936 130 K CB -0.345 31.665 32.500 -0.817 0.000 0.722 130 K HN 0.271 nan 8.250 nan 0.000 0.446 131 A N 0.214 122.912 122.820 -0.203 0.000 1.968 131 A HA -0.124 4.197 4.320 0.000 0.000 0.217 131 A C 1.968 179.514 177.584 -0.063 0.000 1.169 131 A CA 1.118 53.096 52.037 -0.098 0.000 0.638 131 A CB -0.361 18.627 19.000 -0.020 0.000 0.812 131 A HN 0.313 nan 8.150 nan 0.000 0.446 132 Q N 0.036 119.794 119.800 -0.071 0.000 2.083 132 Q HA -0.173 4.167 4.340 0.000 0.000 0.198 132 Q C 1.896 177.866 176.000 -0.051 0.000 0.969 132 Q CA 1.695 57.470 55.803 -0.046 0.000 0.838 132 Q CB -0.325 28.389 28.738 -0.041 0.000 0.900 132 Q HN 0.999 nan 8.270 nan 0.000 0.436 133 E N -0.155 120.000 120.200 -0.075 0.000 2.435 133 E HA -0.021 4.329 4.350 0.000 0.000 0.195 133 E C 1.869 178.430 176.600 -0.066 0.000 1.029 133 E CA 0.125 56.485 56.400 -0.067 0.000 0.865 133 E CB -0.095 29.560 29.700 -0.076 0.000 0.833 133 E HN 0.236 nan 8.360 nan 0.000 0.510 134 L N 0.521 121.698 121.223 -0.078 0.000 2.270 134 L HA 0.030 4.370 4.340 0.000 0.000 0.210 134 L C 2.349 179.202 176.870 -0.029 0.000 1.104 134 L CA 0.385 55.190 54.840 -0.058 0.000 0.804 134 L CB -0.041 41.975 42.059 -0.071 0.000 0.937 134 L HN 0.168 nan 8.230 nan 0.000 0.450 135 L N -0.502 120.706 121.223 -0.025 0.000 2.217 135 L HA -0.152 4.188 4.340 0.000 0.000 0.211 135 L C 2.389 179.253 176.870 -0.009 0.000 1.107 135 L CA 1.003 55.837 54.840 -0.010 0.000 0.783 135 L CB -0.213 41.843 42.059 -0.005 0.000 0.919 135 L HN 0.189 nan 8.230 nan 0.000 0.442 136 K N -0.514 119.877 120.400 -0.015 0.000 2.148 136 K HA -0.125 4.195 4.320 0.000 0.000 0.204 136 K C 2.109 178.703 176.600 -0.010 0.000 1.050 136 K CA 1.824 58.104 56.287 -0.012 0.000 0.942 136 K CB -0.170 32.320 32.500 -0.016 0.000 0.724 136 K HN 0.429 nan 8.250 nan 0.000 0.446 137 T N -0.197 114.350 114.554 -0.012 0.000 2.942 137 T HA -0.040 4.310 4.350 0.000 0.000 0.265 137 T C 1.851 176.549 174.700 -0.003 0.000 1.062 137 T CA 0.731 62.826 62.100 -0.008 0.000 1.139 137 T CB -0.429 68.433 68.868 -0.010 0.000 0.883 137 T HN 0.369 nan 8.240 nan 0.000 0.468 138 I N -0.443 120.126 120.570 -0.000 0.000 3.793 138 I HA 0.575 4.745 4.170 0.000 0.000 0.315 138 I C 0.881 177.001 176.117 0.005 0.000 1.275 138 I CA -0.839 60.464 61.300 0.005 0.000 1.214 138 I CB -0.374 37.635 38.000 0.015 0.000 1.018 138 I HN 0.144 nan 8.210 nan 0.000 0.439 139 A N 1.327 124.149 122.820 0.002 0.000 2.309 139 A HA 0.453 4.773 4.320 0.000 0.000 0.290 139 A C 0.203 177.788 177.584 0.001 0.000 1.206 139 A CA -0.401 51.638 52.037 0.003 0.000 0.850 139 A CB -0.114 18.887 19.000 0.001 0.000 1.118 139 A HN 0.515 nan 8.150 nan 0.000 0.523 140 C N 2.592 121.893 119.300 0.002 0.000 2.644 140 C HA 0.263 4.723 4.460 0.000 0.000 0.417 140 C C 0.658 175.649 174.990 0.001 0.000 1.304 140 C CA -0.529 58.490 59.018 0.001 0.000 2.035 140 C CB -0.406 27.334 27.740 0.001 0.000 2.673 140 C HN 0.750 nan 8.230 nan 0.000 0.602 141 E N 1.605 121.805 120.200 0.000 0.000 2.229 141 E HA 0.465 4.815 4.350 0.000 0.000 0.283 141 E C -0.727 175.874 176.600 0.001 0.000 1.030 141 E CA -0.010 56.390 56.400 0.000 0.000 0.836 141 E CB 1.506 31.205 29.700 -0.000 0.000 1.068 141 E HN 0.435 nan 8.360 nan 0.000 0.401 142 V N 1.615 121.530 119.914 0.001 0.000 2.709 142 V HA 0.429 4.549 4.120 0.000 0.000 0.308 142 V C 0.439 176.533 176.094 0.001 0.000 1.062 142 V CA -1.005 61.295 62.300 0.001 0.000 0.901 142 V CB 2.284 34.108 31.823 0.002 0.000 1.003 142 V HN 0.770 nan 8.190 nan 0.000 0.425 143 G N 2.207 111.008 108.800 0.002 0.000 2.442 143 G HA2 0.431 4.391 3.960 0.000 0.000 0.249 143 G HA3 0.431 4.391 3.960 0.000 0.000 0.249 143 G C 1.013 175.914 174.900 0.002 0.000 1.263 143 G CA 0.257 45.358 45.100 0.002 0.000 0.846 143 G HN 1.178 nan 8.290 nan 0.000 0.555 144 A N 1.458 124.279 122.820 0.002 0.000 2.178 144 A HA -0.032 4.288 4.320 0.000 0.000 0.218 144 A C 1.779 179.364 177.584 0.002 0.000 1.157 144 A CA 1.334 53.372 52.037 0.002 0.000 0.689 144 A CB -0.023 18.978 19.000 0.002 0.000 0.787 144 A HN 0.629 nan 8.150 nan 0.000 0.465 145 Q N -0.522 119.279 119.800 0.003 0.000 2.141 145 Q HA 0.081 4.421 4.340 0.000 0.000 0.248 145 Q C -0.776 175.226 176.000 0.003 0.000 0.834 145 Q CA -0.262 55.543 55.803 0.003 0.000 1.096 145 Q CB 0.545 29.286 28.738 0.005 0.000 1.189 145 Q HN 0.404 nan 8.270 nan 0.000 0.471 146 D N 1.107 121.509 120.400 0.002 0.000 2.455 146 D HA 0.008 4.648 4.640 0.000 0.000 0.234 146 D C 0.620 176.921 176.300 0.002 0.000 1.224 146 D CA 0.268 54.269 54.000 0.002 0.000 0.999 146 D CB 0.569 41.370 40.800 0.002 0.000 1.072 146 D HN 0.156 nan 8.370 nan 0.000 0.514 147 K N 1.957 122.358 120.400 0.001 0.000 2.103 147 K HA -0.199 4.121 4.320 0.000 0.000 0.207 147 K C 1.626 178.226 176.600 0.001 0.000 1.048 147 K CA 1.217 57.504 56.287 0.001 0.000 0.930 147 K CB 0.201 32.701 32.500 0.001 0.000 0.716 147 K HN 0.542 nan 8.250 nan 0.000 0.444 148 E N 0.799 120.999 120.200 0.001 0.000 2.150 148 E HA -0.128 4.222 4.350 0.000 0.000 0.193 148 E C 1.900 178.501 176.600 0.001 0.000 0.985 148 E CA 0.957 57.357 56.400 0.000 0.000 0.814 148 E CB -0.303 29.397 29.700 0.000 0.000 0.752 148 E HN 0.286 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 -0.144 4.026 4.170 0.000 0.000 0.248 149 I C 2.321 178.440 176.117 0.003 0.000 1.109 149 I CA 0.572 61.873 61.300 0.003 0.000 1.425 149 I CB -0.141 37.861 38.000 0.003 0.000 1.094 149 I HN 0.084 nan 8.210 nan 0.000 0.425 150 L N 0.359 121.583 121.223 0.002 0.000 2.079 150 L HA -0.207 4.133 4.340 0.000 0.000 0.210 150 L C 2.567 179.438 176.870 0.002 0.000 1.081 150 L CA 1.488 56.329 54.840 0.001 0.000 0.752 150 L CB -0.859 41.200 42.059 0.000 0.000 0.896 150 L HN 0.270 nan 8.230 nan 0.000 0.433 151 T N -0.787 113.767 114.554 0.001 0.000 2.821 151 T HA -0.154 4.196 4.350 0.000 0.000 0.267 151 T C 1.895 176.596 174.700 0.002 0.000 1.046 151 T CA 1.042 63.142 62.100 0.001 0.000 1.139 151 T CB -0.033 68.835 68.868 -0.001 0.000 0.871 151 T HN 0.283 nan 8.240 nan 0.000 0.454 152 K N 0.541 120.943 120.400 0.003 0.000 2.147 152 K HA 0.061 4.381 4.320 0.000 0.000 0.205 152 K C 2.091 178.697 176.600 0.009 0.000 1.049 152 K CA 1.005 57.295 56.287 0.006 0.000 0.936 152 K CB -0.225 32.279 32.500 0.007 0.000 0.722 152 K HN 0.322 nan 8.250 nan 0.000 0.446 153 I N 0.609 121.184 120.570 0.008 0.000 2.353 153 I HA -0.207 3.963 4.170 0.000 0.000 0.248 153 I C 2.355 178.477 176.117 0.009 0.000 1.119 153 I CA 0.758 62.063 61.300 0.009 0.000 1.417 153 I CB -0.149 37.855 38.000 0.006 0.000 1.078 153 I HN 0.118 nan 8.210 nan 0.000 0.421 154 A N 0.089 122.912 122.820 0.006 0.000 1.930 154 A HA -0.215 4.105 4.320 0.000 0.000 0.217 154 A C 2.260 179.849 177.584 0.008 0.000 1.175 154 A CA 1.539 53.580 52.037 0.006 0.000 0.627 154 A CB -0.494 18.508 19.000 0.002 0.000 0.815 154 A HN 0.381 nan 8.150 nan 0.000 0.443 155 M N -0.625 118.980 119.600 0.008 0.000 2.254 155 M HA -0.053 4.427 4.480 0.000 0.000 0.265 155 M C 1.813 178.125 176.300 0.020 0.000 1.066 155 M CA 1.894 57.200 55.300 0.010 0.000 1.123 155 M CB -0.214 32.388 32.600 0.004 0.000 1.388 155 M HN 0.311 nan 8.290 nan 0.000 0.425 156 T N -1.058 113.510 114.554 0.023 0.000 2.995 156 T HA -0.047 4.303 4.350 0.000 0.000 0.269 156 T C 1.888 176.606 174.700 0.031 0.000 1.091 156 T CA 1.410 63.530 62.100 0.034 0.000 1.128 156 T CB -0.186 68.700 68.868 0.031 0.000 0.891 156 T HN 0.450 nan 8.240 nan 0.000 0.492 157 S N 0.628 116.341 115.700 0.022 0.000 2.377 157 S HA 0.072 4.542 4.470 0.000 0.000 0.223 157 S C 1.997 176.610 174.600 0.021 0.000 1.030 157 S CA 0.397 58.608 58.200 0.019 0.000 0.970 157 S CB -0.313 62.894 63.200 0.012 0.000 0.830 157 S HN 0.457 nan 8.310 nan 0.000 0.473 158 I N 1.415 121.997 120.570 0.021 0.000 2.226 158 I HA -0.087 4.083 4.170 0.000 0.000 0.245 158 I C 0.880 177.017 176.117 0.034 0.000 1.100 158 I CA 0.612 61.925 61.300 0.022 0.000 1.374 158 I CB -0.929 37.081 38.000 0.016 0.000 1.057 158 I HN 0.224 nan 8.210 nan 0.000 0.413 159 T N 0.857 115.438 114.554 0.046 0.000 2.926 159 T HA 0.324 4.674 4.350 0.000 0.000 0.307 159 T C 1.074 175.814 174.700 0.066 0.000 1.059 159 T CA 0.652 62.799 62.100 0.077 0.000 1.122 159 T CB 1.236 70.173 68.868 0.114 0.000 0.972 159 T HN 0.651 nan 8.240 nan 0.000 0.545 160 G N 2.038 110.880 108.800 0.070 0.000 2.349 160 G HA2 -0.232 3.728 3.960 0.000 0.000 0.213 160 G HA3 -0.232 3.728 3.960 0.000 0.000 0.213 160 G C 0.899 175.815 174.900 0.027 0.000 1.044 160 G CA 0.116 45.238 45.100 0.037 0.000 0.633 160 G HN 0.618 nan 8.290 nan 0.000 0.506 161 K N 1.151 121.570 120.400 0.031 0.000 2.426 161 K HA 0.451 4.771 4.320 0.000 0.000 0.193 161 K C 0.921 177.542 176.600 0.035 0.000 1.028 161 K CA 0.730 57.033 56.287 0.026 0.000 1.047 161 K CB 0.499 33.012 32.500 0.022 0.000 0.821 161 K HN 1.369 nan 8.250 nan 0.000 0.513 162 G N -0.195 108.637 108.800 0.053 0.000 2.521 162 G HA2 0.083 4.043 3.960 0.000 0.000 0.589 162 G HA3 0.083 4.043 3.960 0.000 0.000 0.589 162 G C 0.176 175.128 174.900 0.086 0.000 1.501 162 G CA -0.484 44.658 45.100 0.070 0.000 0.887 162 G HN -0.024 nan 8.290 nan 0.000 0.654 163 A N 0.873 123.773 122.820 0.133 0.000 2.019 163 A HA 0.023 4.343 4.320 0.000 0.000 0.219 163 A C 2.145 179.742 177.584 0.022 0.000 1.164 163 A CA 2.250 54.341 52.037 0.091 0.000 0.644 163 A CB -0.256 18.806 19.000 0.103 0.000 0.805 163 A HN 1.207 nan 8.150 nan 0.000 0.449 164 E N 0.609 120.828 120.200 0.031 0.000 2.274 164 E HA -0.155 4.195 4.350 0.000 0.000 0.194 164 E C 1.458 178.064 176.600 0.010 0.000 0.996 164 E CA 1.294 57.702 56.400 0.012 0.000 0.840 164 E CB -0.305 29.406 29.700 0.018 0.000 0.772 164 E HN 0.626 nan 8.360 nan 0.000 0.491 165 K N 0.807 121.217 120.400 0.017 0.000 2.228 165 K HA 0.146 4.466 4.320 0.000 0.000 0.202 165 K C 1.116 177.721 176.600 0.008 0.000 1.051 165 K CA 0.749 57.044 56.287 0.014 0.000 0.960 165 K CB 0.143 32.654 32.500 0.020 0.000 0.743 165 K HN 0.108 nan 8.250 nan 0.000 0.458 166 A N 2.549 125.373 122.820 0.007 0.000 3.026 166 A HA 0.034 4.354 4.320 0.000 0.000 0.272 166 A C -0.305 177.272 177.584 -0.013 0.000 1.782 166 A CA 0.099 52.136 52.037 -0.000 0.000 1.451 166 A CB -0.573 18.428 19.000 0.002 0.000 1.081 166 A HN 0.086 nan 8.150 nan 0.000 0.611 167 K N 0.705 121.100 120.400 -0.009 0.000 2.205 167 K HA 0.169 4.489 4.320 0.000 0.000 0.279 167 K C 0.904 177.497 176.600 -0.012 0.000 1.027 167 K CA -0.548 55.731 56.287 -0.013 0.000 0.932 167 K CB 0.600 33.095 32.500 -0.008 0.000 1.032 167 K HN 0.580 nan 8.250 nan 0.000 0.466 168 E N 2.646 122.836 120.200 -0.016 0.000 2.070 168 E HA -0.248 4.102 4.350 0.000 0.000 0.197 168 E C 0.873 177.468 176.600 -0.008 0.000 1.004 168 E CA 1.825 58.217 56.400 -0.013 0.000 0.805 168 E CB 0.187 29.878 29.700 -0.016 0.000 0.744 168 E HN 0.519 nan 8.360 nan 0.000 0.451 169 K N 0.227 120.623 120.400 -0.007 0.000 2.362 169 K HA -0.123 4.197 4.320 0.000 0.000 0.200 169 K C 2.075 178.674 176.600 -0.002 0.000 1.046 169 K CA 0.294 56.579 56.287 -0.003 0.000 0.952 169 K CB -0.014 32.485 32.500 -0.002 0.000 0.753 169 K HN 0.040 nan 8.250 nan 0.000 0.466 170 L N 0.373 121.595 121.223 -0.002 0.000 2.162 170 L HA 0.054 4.394 4.340 0.000 0.000 0.205 170 L C 2.132 179.001 176.870 -0.001 0.000 1.086 170 L CA 1.218 56.058 54.840 -0.000 0.000 0.778 170 L CB -0.332 41.727 42.059 0.001 0.000 0.928 170 L HN 0.032 nan 8.230 nan 0.000 0.446 171 A N -0.522 122.297 122.820 -0.002 0.000 1.933 171 A HA -0.210 4.110 4.320 0.000 0.000 0.218 171 A C 2.134 179.717 177.584 -0.002 0.000 1.175 171 A CA 1.813 53.849 52.037 -0.001 0.000 0.628 171 A CB -0.594 18.405 19.000 -0.002 0.000 0.814 171 A HN 0.595 nan 8.150 nan 0.000 0.444 172 E N -0.362 119.837 120.200 -0.002 0.000 2.110 172 E HA -0.138 4.212 4.350 0.000 0.000 0.193 172 E C 1.826 178.425 176.600 -0.003 0.000 0.988 172 E CA 1.129 57.528 56.400 -0.002 0.000 0.804 172 E CB -0.280 29.419 29.700 -0.002 0.000 0.745 172 E HN 0.698 nan 8.360 nan 0.000 0.458 173 I N 0.828 121.397 120.570 -0.002 0.000 2.226 173 I HA -0.272 3.898 4.170 0.000 0.000 0.245 173 I C 2.245 178.359 176.117 -0.005 0.000 1.100 173 I CA 1.066 62.364 61.300 -0.003 0.000 1.374 173 I CB -0.109 37.890 38.000 -0.001 0.000 1.057 173 I HN 0.113 nan 8.210 nan 0.000 0.413 174 I N -0.372 120.195 120.570 -0.005 0.000 2.286 174 I HA -0.216 3.954 4.170 0.000 0.000 0.245 174 I C 2.441 178.553 176.117 -0.008 0.000 1.104 174 I CA 0.938 62.234 61.300 -0.007 0.000 1.397 174 I CB -0.247 37.750 38.000 -0.004 0.000 1.072 174 I HN -0.021 nan 8.210 nan 0.000 0.417 175 V N 0.683 120.593 119.914 -0.006 0.000 2.407 175 V HA -0.300 3.821 4.120 0.000 0.000 0.248 175 V C 2.415 178.504 176.094 -0.009 0.000 1.055 175 V CA 2.042 64.338 62.300 -0.006 0.000 1.049 175 V CB -0.627 31.194 31.823 -0.004 0.000 0.662 175 V HN 0.477 nan 8.190 nan 0.000 0.455 176 E N -0.162 120.033 120.200 -0.009 0.000 2.208 176 E HA -0.125 4.225 4.350 0.000 0.000 0.193 176 E C 2.177 178.766 176.600 -0.018 0.000 0.988 176 E CA 0.987 57.380 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 0.601 nan 8.360 nan 0.000 0.478 177 A N 0.101 122.910 122.820 -0.018 0.000 1.930 177 A HA -0.039 4.281 4.320 0.000 0.000 0.215 177 A C 2.251 179.819 177.584 -0.028 0.000 1.176 177 A CA 0.748 52.770 52.037 -0.025 0.000 0.632 177 A CB -0.201 18.786 19.000 -0.022 0.000 0.819 177 A HN 0.184 nan 8.150 nan 0.000 0.445 178 V N -0.224 119.677 119.914 -0.021 0.000 2.548 178 V HA -0.150 3.970 4.120 0.000 0.000 0.249 178 V C 2.628 178.708 176.094 -0.022 0.000 1.055 178 V CA 2.064 64.352 62.300 -0.020 0.000 1.065 178 V CB -0.642 31.172 31.823 -0.014 0.000 0.681 178 V HN 0.502 nan 8.190 nan 0.000 0.462 179 S N 0.287 115.974 115.700 -0.021 0.000 2.399 179 S HA -0.118 4.353 4.470 0.000 0.000 0.231 179 S C 2.157 176.737 174.600 -0.033 0.000 1.022 179 S CA 1.352 59.540 58.200 -0.020 0.000 0.983 179 S CB -0.293 62.899 63.200 -0.014 0.000 0.803 179 S HN 0.656 nan 8.310 nan 0.000 0.480 180 A N 0.933 123.725 122.820 -0.047 0.000 1.930 180 A HA 0.039 4.359 4.320 0.000 0.000 0.215 180 A C 2.048 179.578 177.584 -0.090 0.000 1.176 180 A CA 1.245 53.234 52.037 -0.080 0.000 0.632 180 A CB -0.494 18.456 19.000 -0.082 0.000 0.819 180 A HN 0.554 nan 8.150 nan 0.000 0.445 181 V N -1.917 117.960 119.914 -0.062 0.000 3.620 181 V HA 0.243 4.363 4.120 0.000 0.000 0.286 181 V C 0.330 176.401 176.094 -0.038 0.000 1.288 181 V CA -0.289 61.978 62.300 -0.055 0.000 1.178 181 V CB -0.898 30.899 31.823 -0.044 0.000 0.986 181 V HN 0.070 nan 8.190 nan 0.000 0.431 182 V N 4.203 124.097 119.914 -0.033 0.000 2.446 182 V HA 0.163 4.283 4.120 0.000 0.000 0.276 182 V C 0.291 176.379 176.094 -0.010 0.000 1.030 182 V CA -0.179 62.110 62.300 -0.017 0.000 1.033 182 V CB 0.402 32.218 31.823 -0.011 0.000 0.993 182 V HN 0.760 nan 8.190 nan 0.000 0.477 183 D N 4.121 124.517 120.400 -0.006 0.000 2.365 183 D HA 0.082 4.722 4.640 0.000 0.000 0.237 183 D C -0.398 175.908 176.300 0.008 0.000 1.190 183 D CA -0.584 53.418 54.000 0.003 0.000 0.867 183 D CB 0.930 41.730 40.800 0.000 0.000 1.050 183 D HN 0.389 nan 8.370 nan 0.000 0.491 184 D N 2.880 123.290 120.400 0.017 0.000 2.371 184 D HA 0.109 4.749 4.640 0.000 0.000 0.256 184 D C 0.224 176.532 176.300 0.014 0.000 1.193 184 D CA 0.300 54.311 54.000 0.018 0.000 0.881 184 D CB 1.074 41.891 40.800 0.028 0.000 1.143 184 D HN 0.466 nan 8.370 nan 0.000 0.473 185 E N 0.397 120.603 120.200 0.010 0.000 2.183 185 E HA 0.618 4.968 4.350 0.000 0.000 0.271 185 E C 0.312 176.915 176.600 0.005 0.000 0.919 185 E CA -1.004 55.401 56.400 0.008 0.000 0.781 185 E CB 2.156 31.860 29.700 0.007 0.000 1.140 185 E HN 0.524 nan 8.360 nan 0.000 0.402 186 G N 2.632 111.434 108.800 0.004 0.000 5.648 186 G HA2 0.016 3.976 3.960 0.000 0.000 0.192 186 G HA3 0.016 3.976 3.960 0.000 0.000 0.192 186 G C -0.130 174.770 174.900 0.001 0.000 0.694 186 G CA -0.421 44.681 45.100 0.004 0.000 0.654 186 G HN 0.079 nan 8.290 nan 0.000 0.324 187 K N 0.225 120.625 120.400 -0.000 0.000 2.090 187 K HA 0.676 4.996 4.320 0.000 0.000 0.249 187 K C -0.419 176.178 176.600 -0.005 0.000 0.995 187 K CA -0.651 55.635 56.287 -0.002 0.000 0.914 187 K CB 2.512 35.011 32.500 -0.002 0.000 1.057 187 K HN -0.027 nan 8.250 nan 0.000 0.462 188 V N 1.656 121.566 119.914 -0.006 0.000 2.384 188 V HA 0.070 4.190 4.120 0.000 0.000 0.287 188 V C -0.509 175.579 176.094 -0.010 0.000 1.020 188 V CA -0.867 61.427 62.300 -0.010 0.000 0.850 188 V CB 1.460 33.277 31.823 -0.010 0.000 0.987 188 V HN 0.609 nan 8.190 nan 0.000 0.436 189 D N 3.636 124.028 120.400 -0.013 0.000 2.313 189 D HA 0.293 4.934 4.640 0.000 0.000 0.239 189 D C 0.886 177.176 176.300 -0.016 0.000 1.142 189 D CA -0.351 53.641 54.000 -0.014 0.000 0.847 189 D CB 1.669 42.460 40.800 -0.015 0.000 1.082 189 D HN 0.347 nan 8.370 nan 0.000 0.480 190 K N 1.636 122.027 120.400 -0.014 0.000 2.283 190 K HA -0.047 4.273 4.320 0.000 0.000 0.202 190 K C 0.813 177.402 176.600 -0.018 0.000 1.048 190 K CA 0.855 57.133 56.287 -0.015 0.000 0.948 190 K CB 0.230 32.724 32.500 -0.011 0.000 0.742 190 K HN 0.389 nan 8.250 nan 0.000 0.458 191 D N 0.017 120.406 120.400 -0.019 0.000 2.363 191 D HA -0.022 4.618 4.640 0.000 0.000 0.220 191 D C 1.292 177.575 176.300 -0.028 0.000 0.994 191 D CA 0.557 54.543 54.000 -0.022 0.000 0.890 191 D CB 0.153 40.941 40.800 -0.019 0.000 0.906 191 D HN 0.160 nan 8.370 nan 0.000 0.530 192 L N 0.065 121.271 121.223 -0.029 0.000 2.341 192 L HA 0.125 4.465 4.340 0.000 0.000 0.214 192 L C 0.765 177.612 176.870 -0.039 0.000 1.115 192 L CA 0.328 55.148 54.840 -0.035 0.000 0.820 192 L CB 0.274 42.313 42.059 -0.033 0.000 0.944 192 L HN -0.120 nan 8.230 nan 0.000 0.452 193 I N 1.066 121.615 120.570 -0.035 0.000 2.282 193 I HA 0.061 4.231 4.170 0.000 0.000 0.290 193 I C 0.419 176.513 176.117 -0.038 0.000 1.090 193 I CA -0.082 61.197 61.300 -0.036 0.000 1.231 193 I CB 0.577 38.559 38.000 -0.030 0.000 1.434 193 I HN -0.008 nan 8.210 nan 0.000 0.487 194 K N 7.237 127.609 120.400 -0.046 0.000 2.349 194 K HA 0.375 4.695 4.320 0.000 0.000 0.288 194 K C -0.606 175.965 176.600 -0.049 0.000 1.058 194 K CA -0.245 56.012 56.287 -0.051 0.000 0.953 194 K CB 0.612 33.072 32.500 -0.066 0.000 0.997 194 K HN 0.538 nan 8.250 nan 0.000 0.477 195 I N 4.071 124.617 120.570 -0.041 0.000 2.312 195 I HA 0.133 4.303 4.170 0.000 0.000 0.290 195 I C -0.304 175.788 176.117 -0.041 0.000 1.008 195 I CA -0.546 60.731 61.300 -0.037 0.000 1.226 195 I CB 1.514 39.498 38.000 -0.026 0.000 1.371 195 I HN 0.621 nan 8.210 nan 0.000 0.468 196 E N 6.530 126.702 120.200 -0.046 0.000 2.183 196 E HA 0.414 4.764 4.350 0.000 0.000 0.271 196 E C -1.192 175.387 176.600 -0.034 0.000 0.919 196 E CA -0.693 55.677 56.400 -0.050 0.000 0.781 196 E CB 1.285 30.938 29.700 -0.078 0.000 1.140 196 E HN 0.280 nan 8.360 nan 0.000 0.402 197 K N 3.918 124.301 120.400 -0.029 0.000 2.449 197 K HA 0.412 4.732 4.320 0.000 0.000 0.257 197 K C -0.745 175.846 176.600 -0.015 0.000 0.989 197 K CA -0.898 55.377 56.287 -0.021 0.000 0.916 197 K CB 1.120 33.605 32.500 -0.024 0.000 1.136 197 K HN 0.198 nan 8.250 nan 0.000 0.439 198 K N 1.047 121.445 120.400 -0.003 0.000 2.385 198 K HA 0.313 4.633 4.320 0.000 0.000 0.248 198 K C 0.548 177.154 176.600 0.011 0.000 0.955 198 K CA -0.514 55.778 56.287 0.009 0.000 0.816 198 K CB 1.957 34.474 32.500 0.029 0.000 1.250 198 K HN 0.649 nan 8.250 nan 0.000 0.434 199 S N 0.089 115.796 115.700 0.011 0.000 2.136 199 S HA 0.552 5.023 4.470 0.000 0.000 0.205 199 S C 0.709 175.320 174.600 0.017 0.000 1.346 199 S CA 0.488 58.694 58.200 0.010 0.000 1.084 199 S CB -0.398 62.806 63.200 0.007 0.000 0.767 199 S HN 1.038 nan 8.310 nan 0.000 0.423 200 G N -0.783 108.026 108.800 0.016 0.000 2.612 200 G HA2 0.438 4.398 3.960 0.000 0.000 0.686 200 G HA3 0.438 4.398 3.960 0.000 0.000 0.686 200 G C -0.320 174.588 174.900 0.013 0.000 1.274 200 G CA -0.325 44.785 45.100 0.016 0.000 0.849 200 G HN 1.729 nan 8.290 nan 0.000 0.595 201 A N 0.382 123.209 122.820 0.012 0.000 2.774 201 A HA 0.845 5.166 4.320 0.000 0.000 0.326 201 A C 0.754 178.344 177.584 0.011 0.000 1.478 201 A CA 1.201 53.244 52.037 0.010 0.000 1.099 201 A CB 0.466 19.471 19.000 0.008 0.000 1.148 201 A HN 2.104 nan 8.150 nan 0.000 0.519 202 S N 1.491 117.198 115.700 0.012 0.000 4.107 202 S HA 0.534 5.005 4.470 0.000 0.000 0.196 202 S C 1.146 175.753 174.600 0.011 0.000 1.125 202 S CA 0.559 58.766 58.200 0.012 0.000 1.614 202 S CB -0.345 62.864 63.200 0.015 0.000 1.234 202 S HN 1.035 nan 8.310 nan 0.000 0.799 203 I N 1.062 121.639 120.570 0.012 0.000 3.969 203 I HA -0.339 3.831 4.170 0.000 0.000 0.133 203 I C 0.060 176.182 176.117 0.009 0.000 0.412 203 I CA 1.888 63.194 61.300 0.010 0.000 1.227 203 I CB -0.761 37.246 38.000 0.010 0.000 1.082 203 I HN 0.494 nan 8.210 nan 0.000 0.204 204 D N 0.127 120.532 120.400 0.008 0.000 2.389 204 D HA 0.045 4.685 4.640 0.000 0.000 0.206 204 D C 0.893 177.199 176.300 0.009 0.000 1.055 204 D CA 0.502 54.507 54.000 0.007 0.000 0.856 204 D CB 0.025 40.828 40.800 0.005 0.000 0.957 204 D HN 0.396 nan 8.370 nan 0.000 0.509 205 D N 0.329 120.737 120.400 0.013 0.000 2.342 205 D HA 0.004 4.644 4.640 0.000 0.000 0.221 205 D C 0.219 176.532 176.300 0.022 0.000 1.101 205 D CA 0.205 54.215 54.000 0.017 0.000 0.837 205 D CB 0.023 40.834 40.800 0.019 0.000 0.938 205 D HN 0.084 nan 8.370 nan 0.000 0.508 206 T N -0.333 114.232 114.554 0.017 0.000 2.779 206 T HA 0.346 4.696 4.350 0.000 0.000 0.296 206 T C 0.204 174.915 174.700 0.018 0.000 0.938 206 T CA -0.662 61.448 62.100 0.017 0.000 1.119 206 T CB 0.975 69.849 68.868 0.010 0.000 0.891 206 T HN 0.179 nan 8.240 nan 0.000 0.526 207 E N 2.487 122.701 120.200 0.023 0.000 2.336 207 E HA 0.593 4.943 4.350 0.000 0.000 0.267 207 E C -1.172 175.438 176.600 0.017 0.000 0.906 207 E CA -1.427 54.988 56.400 0.025 0.000 0.781 207 E CB 1.468 31.193 29.700 0.041 0.000 1.261 207 E HN 0.471 nan 8.360 nan 0.000 0.436 208 L N 2.448 123.678 121.223 0.013 0.000 2.265 208 L HA 0.414 4.754 4.340 0.000 0.000 0.288 208 L C -1.156 175.721 176.870 0.011 0.000 1.058 208 L CA -0.207 54.636 54.840 0.004 0.000 0.809 208 L CB 0.481 42.540 42.059 -0.000 0.000 1.179 208 L HN 0.594 nan 8.230 nan 0.000 0.429 209 I N 5.596 126.168 120.570 0.002 0.000 2.312 209 I HA 0.249 4.419 4.170 0.000 0.000 0.290 209 I C 0.302 176.414 176.117 -0.009 0.000 1.008 209 I CA -0.447 60.858 61.300 0.009 0.000 1.226 209 I CB 0.853 38.851 38.000 -0.003 0.000 1.371 209 I HN 0.542 nan 8.210 nan 0.000 0.468 210 K N 5.924 126.325 120.400 0.001 0.000 2.278 210 K HA 0.422 4.742 4.320 0.000 0.000 0.237 210 K C 0.312 176.906 176.600 -0.010 0.000 1.229 210 K CA -0.266 56.015 56.287 -0.011 0.000 1.155 210 K CB 0.270 32.767 32.500 -0.004 0.000 1.590 210 K HN 0.908 nan 8.250 nan 0.000 0.290 211 G N -0.525 108.258 108.800 -0.028 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 -1.599 173.257 174.900 -0.074 0.000 1.221 211 G CA -0.595 44.482 45.100 -0.038 0.000 0.912 211 G HN 0.082 nan 8.290 nan 0.000 0.483 212 V N 0.025 119.879 119.914 -0.100 0.000 2.962 212 V HA 0.722 4.842 4.120 0.000 0.000 0.313 212 V C -1.117 174.865 176.094 -0.187 0.000 1.099 212 V CA -0.689 61.524 62.300 -0.144 0.000 0.971 212 V CB 1.972 33.691 31.823 -0.172 0.000 1.028 212 V HN 0.714 nan 8.190 nan 0.000 0.430 213 L N 3.632 124.722 121.223 -0.222 0.000 2.294 213 L HA 0.619 4.959 4.340 0.000 0.000 0.283 213 L C -0.557 176.195 176.870 -0.197 0.000 1.015 213 L CA -0.010 54.648 54.840 -0.303 0.000 0.831 213 L CB 1.571 43.392 42.059 -0.396 0.000 1.217 213 L HN 0.490 nan 8.230 nan 0.000 0.420 214 V N 3.647 123.479 119.914 -0.136 0.000 2.383 214 V HA 0.201 4.321 4.120 0.000 0.000 0.275 214 V C 0.259 176.349 176.094 -0.006 0.000 1.036 214 V CA -0.611 61.650 62.300 -0.065 0.000 0.889 214 V CB 1.374 33.189 31.823 -0.014 0.000 0.985 214 V HN 0.606 nan 8.190 nan 0.000 0.459 215 D N 4.445 124.838 120.400 -0.011 0.000 2.941 215 D HA 0.113 4.753 4.640 0.000 0.000 0.236 215 D C 0.268 176.592 176.300 0.040 0.000 1.147 215 D CA 0.578 54.584 54.000 0.009 0.000 0.975 215 D CB -0.141 40.656 40.800 -0.005 0.000 1.162 215 D HN 0.419 nan 8.370 nan 0.000 0.444 216 K N 0.218 120.662 120.400 0.074 0.000 2.466 216 K HA 0.407 4.727 4.320 0.000 0.000 0.260 216 K C -0.382 176.271 176.600 0.088 0.000 1.011 216 K CA -0.668 55.670 56.287 0.085 0.000 0.871 216 K CB 2.121 34.691 32.500 0.117 0.000 1.404 216 K HN 0.078 nan 8.250 nan 0.000 0.450 217 E N 0.952 121.189 120.200 0.062 0.000 2.334 217 E HA 0.294 4.644 4.350 0.000 0.000 0.256 217 E C -0.613 175.999 176.600 0.021 0.000 0.958 217 E CA -1.076 55.354 56.400 0.049 0.000 0.821 217 E CB 1.308 31.030 29.700 0.036 0.000 1.269 217 E HN 0.406 nan 8.360 nan 0.000 0.413 218 R N 0.818 121.321 120.500 0.004 0.000 2.489 218 R HA 0.044 4.384 4.340 0.000 0.000 0.287 218 R C 0.678 176.966 176.300 -0.020 0.000 1.053 218 R CA -0.126 55.957 56.100 -0.028 0.000 1.036 218 R CB 0.545 30.827 30.300 -0.030 0.000 0.966 218 R HN 0.434 nan 8.270 nan 0.000 0.432 219 V N 2.170 122.065 119.914 -0.032 0.000 2.490 219 V HA -0.125 3.995 4.120 0.000 0.000 0.250 219 V C 0.682 176.769 176.094 -0.013 0.000 1.061 219 V CA 2.207 64.497 62.300 -0.017 0.000 1.064 219 V CB 0.029 31.840 31.823 -0.020 0.000 0.670 219 V HN 0.894 nan 8.190 nan 0.000 0.461 220 S N -1.809 113.880 115.700 -0.019 0.000 2.521 220 S HA 0.668 5.138 4.470 0.000 0.000 0.295 220 S C 0.759 175.352 174.600 -0.013 0.000 1.098 220 S CA -0.167 58.026 58.200 -0.012 0.000 0.999 220 S CB 1.773 64.966 63.200 -0.011 0.000 1.034 220 S HN 0.548 nan 8.310 nan 0.000 0.483 221 A N 3.263 126.079 122.820 -0.007 0.000 2.121 221 A HA -0.025 4.295 4.320 0.000 0.000 0.218 221 A C 1.841 179.420 177.584 -0.008 0.000 1.154 221 A CA 1.199 53.233 52.037 -0.006 0.000 0.679 221 A CB -0.500 18.498 19.000 -0.002 0.000 0.795 221 A HN 0.886 nan 8.150 nan 0.000 0.458 222 Q N -0.966 118.828 119.800 -0.010 0.000 2.378 222 Q HA 0.089 4.429 4.340 0.000 0.000 0.205 222 Q C 0.278 176.265 176.000 -0.022 0.000 0.954 222 Q CA 0.054 55.849 55.803 -0.013 0.000 0.901 222 Q CB -0.094 28.637 28.738 -0.011 0.000 0.981 222 Q HN 0.698 nan 8.270 nan 0.000 0.483 223 M N 1.648 121.233 119.600 -0.026 0.000 2.242 223 M HA 0.227 4.707 4.480 0.000 0.000 0.344 223 M C -2.071 174.214 176.300 -0.025 0.000 1.140 223 M CA -1.935 53.346 55.300 -0.032 0.000 1.160 223 M CB 0.573 33.148 32.600 -0.041 0.000 1.491 223 M HN -0.101 nan 8.290 nan 0.000 0.459 224 P HA 0.011 nan 4.420 nan 0.000 0.270 224 P C -0.475 176.815 177.300 -0.016 0.000 1.227 224 P CA 0.032 63.121 63.100 -0.019 0.000 0.788 224 P CB 0.498 32.188 31.700 -0.017 0.000 0.926 225 K N 0.415 120.809 120.400 -0.010 0.000 2.438 225 K HA 0.174 4.494 4.320 0.000 0.000 0.206 225 K C -0.142 176.458 176.600 -0.000 0.000 1.081 225 K CA 0.041 56.326 56.287 -0.004 0.000 1.053 225 K CB 0.464 32.960 32.500 -0.006 0.000 0.908 225 K HN 0.231 nan 8.250 nan 0.000 0.556 226 K N 1.205 121.604 120.400 -0.001 0.000 2.619 226 K HA 0.240 4.560 4.320 0.000 0.000 0.251 226 K C -1.895 174.709 176.600 0.006 0.000 0.987 226 K CA -0.615 55.674 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 -0.111 nan 8.250 nan 0.000 0.447 227 V N 2.806 122.729 119.914 0.016 0.000 2.531 227 V HA 0.451 4.571 4.120 0.000 0.000 0.301 227 V C -0.127 175.981 176.094 0.024 0.000 1.034 227 V CA -0.802 61.508 62.300 0.016 0.000 0.865 227 V CB 1.682 33.515 31.823 0.017 0.000 0.995 227 V HN 0.903 nan 8.190 nan 0.000 0.424 228 T N -0.007 114.558 114.554 0.018 0.000 2.902 228 T HA 0.458 4.808 4.350 0.000 0.000 0.283 228 T C -0.145 174.569 174.700 0.022 0.000 1.009 228 T CA -0.539 61.573 62.100 0.021 0.000 1.051 228 T CB 1.203 70.079 68.868 0.014 0.000 0.999 228 T HN 0.714 nan 8.240 nan 0.000 0.474 229 D N 0.394 120.810 120.400 0.026 0.000 2.704 229 D HA -0.148 4.492 4.640 0.000 0.000 0.232 229 D C 0.327 176.644 176.300 0.029 0.000 1.183 229 D CA 0.950 54.966 54.000 0.027 0.000 0.647 229 D CB -1.220 39.593 40.800 0.020 0.000 1.013 229 D HN 1.039 nan 8.370 nan 0.000 0.415 230 A N 0.775 123.617 122.820 0.037 0.000 2.354 230 A HA 0.428 4.749 4.320 0.000 0.000 0.269 230 A C 0.468 178.078 177.584 0.044 0.000 1.109 230 A CA -0.336 51.724 52.037 0.038 0.000 0.800 230 A CB 0.788 19.816 19.000 0.048 0.000 1.045 230 A HN 0.075 nan 8.150 nan 0.000 0.489 231 K N 1.908 122.330 120.400 0.037 0.000 2.253 231 K HA 0.540 4.860 4.320 0.000 0.000 0.277 231 K C -0.958 175.674 176.600 0.052 0.000 1.053 231 K CA 0.316 56.627 56.287 0.040 0.000 0.892 231 K CB 1.108 33.625 32.500 0.029 0.000 1.102 231 K HN 0.548 nan 8.250 nan 0.000 0.469 232 I N 2.436 123.050 120.570 0.073 0.000 2.336 232 I HA 0.410 4.581 4.170 0.000 0.000 0.292 232 I C -0.121 176.056 176.117 0.100 0.000 0.991 232 I CA -0.925 60.442 61.300 0.111 0.000 1.227 232 I CB 1.691 39.792 38.000 0.167 0.000 1.366 232 I HN 0.588 nan 8.210 nan 0.000 0.466 233 A N 7.348 130.226 122.820 0.097 0.000 2.317 233 A HA 0.805 5.125 4.320 0.000 0.000 0.327 233 A C -0.955 176.698 177.584 0.115 0.000 1.178 233 A CA -0.449 51.636 52.037 0.081 0.000 0.817 233 A CB 0.844 19.874 19.000 0.050 0.000 1.189 233 A HN 0.564 nan 8.150 nan 0.000 0.489 234 L N 2.503 123.784 121.223 0.096 0.000 2.305 234 L HA 0.529 4.869 4.340 0.000 0.000 0.284 234 L C -0.534 176.379 176.870 0.073 0.000 1.013 234 L CA 0.231 55.134 54.840 0.106 0.000 0.819 234 L CB 1.419 43.524 42.059 0.076 0.000 1.227 234 L HN 0.633 nan 8.230 nan 0.000 0.417 235 L N 3.153 124.422 121.223 0.078 0.000 2.349 235 L HA 0.450 4.790 4.340 0.000 0.000 0.278 235 L C 0.677 177.577 176.870 0.049 0.000 0.996 235 L CA -0.452 54.420 54.840 0.054 0.000 0.825 235 L CB 1.791 43.878 42.059 0.048 0.000 1.243 235 L HN 0.542 nan 8.230 nan 0.000 0.412 236 N N 0.874 119.596 118.700 0.036 0.000 2.422 236 N HA -0.014 4.726 4.740 0.000 0.000 0.181 236 N C 0.178 175.705 175.510 0.027 0.000 1.080 236 N CA 0.052 53.120 53.050 0.030 0.000 0.893 236 N CB 0.281 38.782 38.487 0.022 0.000 0.973 236 N HN 0.538 nan 8.380 nan 0.000 0.456 237 C N 0.879 120.195 119.300 0.028 0.000 2.534 237 C HA 0.751 5.211 4.460 0.000 0.000 0.385 237 C C 0.414 175.420 174.990 0.027 0.000 1.264 237 C CA -0.833 58.200 59.018 0.025 0.000 2.342 237 C CB -0.457 27.297 27.740 0.023 0.000 2.564 237 C HN 0.460 nan 8.230 nan 0.000 0.603 238 A N 5.469 128.304 122.820 0.025 0.000 2.320 238 A HA 0.529 4.849 4.320 0.000 0.000 0.287 238 A C 0.233 177.834 177.584 0.028 0.000 1.181 238 A CA -0.397 51.656 52.037 0.026 0.000 0.831 238 A CB 0.005 19.020 19.000 0.024 0.000 1.102 238 A HN 0.851 nan 8.150 nan 0.000 0.513 239 I N 2.851 123.439 120.570 0.031 0.000 2.546 239 I HA 0.050 4.220 4.170 0.000 0.000 0.275 239 I C 0.412 176.552 176.117 0.039 0.000 1.032 239 I CA 0.581 61.902 61.300 0.035 0.000 2.040 239 I CB -1.015 37.007 38.000 0.037 0.000 1.464 239 I HN 0.717 nan 8.210 nan 0.000 0.865 240 E N 1.446 121.668 120.200 0.035 0.000 2.449 240 E HA 0.532 4.882 4.350 0.000 0.000 0.254 240 E C -0.445 176.177 176.600 0.036 0.000 0.907 240 E CA -1.133 55.289 56.400 0.037 0.000 0.840 240 E CB 1.851 31.569 29.700 0.030 0.000 1.459 240 E HN 0.040 nan 8.360 nan 0.000 0.407 241 I N 1.540 122.131 120.570 0.036 0.000 2.529 241 I HA 0.069 4.239 4.170 0.000 0.000 0.284 241 I C 0.138 176.272 176.117 0.029 0.000 1.082 241 I CA 0.144 61.465 61.300 0.035 0.000 1.406 241 I CB 0.026 38.048 38.000 0.038 0.000 1.405 241 I HN 0.319 nan 8.210 nan 0.000 0.548 242 K N 6.201 126.618 120.400 0.028 0.000 2.219 242 K HA 0.233 4.553 4.320 0.000 0.000 0.280 242 K C -0.150 176.463 176.600 0.022 0.000 1.104 242 K CA -0.244 56.057 56.287 0.023 0.000 0.925 242 K CB 0.412 32.925 32.500 0.021 0.000 1.261 242 K HN 0.495 nan 8.250 nan 0.000 0.445 243 E N 1.916 122.127 120.200 0.018 0.000 2.338 243 E HA 0.012 4.362 4.350 0.000 0.000 0.272 243 E C 0.114 176.722 176.600 0.012 0.000 1.029 243 E CA -0.292 56.116 56.400 0.014 0.000 0.872 243 E CB 0.768 30.474 29.700 0.009 0.000 1.015 243 E HN 0.462 nan 8.360 nan 0.000 0.417 244 T N 0.675 115.236 114.554 0.012 0.000 2.926 244 T HA 0.031 4.381 4.350 0.000 0.000 0.307 244 T C 1.016 175.721 174.700 0.008 0.000 1.059 244 T CA -0.715 61.391 62.100 0.011 0.000 1.122 244 T CB 1.127 70.002 68.868 0.012 0.000 0.972 244 T HN 0.367 nan 8.240 nan 0.000 0.545 245 E N 1.500 121.704 120.200 0.008 0.000 2.047 245 E HA -0.046 4.304 4.350 0.000 0.000 0.191 245 E C 1.159 177.762 176.600 0.005 0.000 0.987 245 E CA 1.251 57.654 56.400 0.006 0.000 0.799 245 E CB -0.630 29.074 29.700 0.006 0.000 0.752 245 E HN 0.918 nan 8.360 nan 0.000 0.449 246 T N 1.943 116.500 114.554 0.005 0.000 2.784 246 T HA 0.067 4.417 4.350 0.000 0.000 0.291 246 T C 0.080 174.782 174.700 0.003 0.000 0.942 246 T CA -0.614 61.489 62.100 0.004 0.000 1.161 246 T CB 0.496 69.366 68.868 0.005 0.000 0.885 246 T HN -0.174 nan 8.240 nan 0.000 0.534 247 D N 2.704 123.105 120.400 0.000 0.000 2.586 247 D HA 0.328 4.968 4.640 0.000 0.000 0.234 247 D C 0.161 176.459 176.300 -0.004 0.000 1.132 247 D CA 0.570 54.569 54.000 -0.002 0.000 0.860 247 D CB 0.415 41.213 40.800 -0.004 0.000 1.159 247 D HN 0.887 nan 8.370 nan 0.000 0.490 248 A N 2.839 125.655 122.820 -0.006 0.000 2.401 248 A HA 0.621 4.941 4.320 0.000 0.000 0.310 248 A C -0.372 177.199 177.584 -0.023 0.000 1.075 248 A CA -0.647 51.384 52.037 -0.009 0.000 0.746 248 A CB 2.024 21.023 19.000 -0.002 0.000 1.277 248 A HN 0.518 nan 8.150 nan 0.000 0.425 249 E N 1.076 121.257 120.200 -0.032 0.000 2.308 249 E HA 0.566 4.916 4.350 0.000 0.000 0.275 249 E C -1.488 175.063 176.600 -0.082 0.000 0.890 249 E CA -0.483 55.884 56.400 -0.055 0.000 0.754 249 E CB 1.769 31.442 29.700 -0.044 0.000 1.207 249 E HN 0.634 nan 8.360 nan 0.000 0.426 250 I N 3.017 123.499 120.570 -0.147 0.000 2.488 250 I HA 0.425 4.595 4.170 0.000 0.000 0.299 250 I C -0.068 175.930 176.117 -0.200 0.000 0.984 250 I CA -0.788 60.367 61.300 -0.243 0.000 1.250 250 I CB 0.981 38.659 38.000 -0.537 0.000 1.389 250 I HN 0.220 nan 8.210 nan 0.000 0.488 251 R N 5.937 126.346 120.500 -0.152 0.000 2.409 251 R HA 0.541 4.881 4.340 0.000 0.000 0.313 251 R C -1.259 175.016 176.300 -0.041 0.000 0.953 251 R CA -0.864 55.187 56.100 -0.082 0.000 0.849 251 R CB 1.655 31.937 30.300 -0.030 0.000 1.171 251 R HN 0.454 nan 8.270 nan 0.000 0.458 252 I N 1.737 122.285 120.570 -0.037 0.000 2.354 252 I HA 0.215 4.385 4.170 0.000 0.000 0.292 252 I C 1.414 177.553 176.117 0.035 0.000 0.989 252 I CA 0.081 61.403 61.300 0.038 0.000 1.188 252 I CB 1.975 39.998 38.000 0.039 0.000 1.342 252 I HN 0.649 nan 8.210 nan 0.000 0.457 253 T N -0.668 113.918 114.554 0.053 0.000 2.955 253 T HA 0.205 4.555 4.350 0.000 0.000 0.251 253 T C 0.282 175.004 174.700 0.037 0.000 1.002 253 T CA -0.138 61.983 62.100 0.036 0.000 0.970 253 T CB -0.006 68.880 68.868 0.031 0.000 1.091 253 T HN 0.400 nan 8.240 nan 0.000 0.495 254 D N 2.895 123.326 120.400 0.051 0.000 2.256 254 D HA 0.378 5.018 4.640 0.000 0.000 0.240 254 D C -1.405 174.924 176.300 0.048 0.000 1.062 254 D CA -2.570 51.455 54.000 0.042 0.000 0.832 254 D CB 2.177 43.001 40.800 0.039 0.000 1.135 254 D HN -0.096 nan 8.370 nan 0.000 0.484 255 P HA -0.141 nan 4.420 nan 0.000 0.219 255 P C 0.770 178.092 177.300 0.037 0.000 1.146 255 P CA 0.656 63.776 63.100 0.034 0.000 0.808 255 P CB 0.224 31.937 31.700 0.023 0.000 0.779 256 A N -0.012 122.826 122.820 0.030 0.000 2.167 256 A HA -0.035 4.285 4.320 0.000 0.000 0.214 256 A C 2.098 179.699 177.584 0.029 0.000 1.151 256 A CA 0.835 52.886 52.037 0.023 0.000 0.735 256 A CB -0.659 18.348 19.000 0.011 0.000 0.802 256 A HN 0.020 nan 8.150 nan 0.000 0.467 257 K N -0.203 120.230 120.400 0.055 0.000 2.459 257 K HA 0.161 4.481 4.320 0.000 0.000 0.193 257 K C 1.486 178.193 176.600 0.177 0.000 1.030 257 K CA 0.167 56.504 56.287 0.083 0.000 1.026 257 K CB -0.208 32.378 32.500 0.144 0.000 0.809 257 K HN 0.524 nan 8.250 nan 0.000 0.504 258 L N 0.354 121.660 121.223 0.139 0.000 1.976 258 L HA -0.172 4.168 4.340 0.000 0.000 0.209 258 L C 2.362 179.313 176.870 0.135 0.000 1.071 258 L CA 1.159 56.088 54.840 0.148 0.000 0.746 258 L CB -0.415 41.693 42.059 0.081 0.000 0.890 258 L HN 0.128 nan 8.230 nan 0.000 0.432 259 M N -0.699 118.946 119.600 0.075 0.000 2.358 259 M HA -0.178 4.302 4.480 0.000 0.000 0.264 259 M C 2.052 178.371 176.300 0.031 0.000 1.064 259 M CA 1.398 56.728 55.300 0.050 0.000 1.093 259 M CB -1.023 31.593 32.600 0.027 0.000 1.401 259 M HN 0.315 nan 8.290 nan 0.000 0.440 260 E N -0.232 119.966 120.200 -0.002 0.000 2.031 260 E HA -0.177 4.173 4.350 0.000 0.000 0.193 260 E C 1.946 178.464 176.600 -0.137 0.000 0.994 260 E CA 1.394 57.719 56.400 -0.124 0.000 0.800 260 E CB -0.175 29.360 29.700 -0.275 0.000 0.752 260 E HN 0.433 nan 8.360 nan 0.000 0.447 261 F N 0.695 120.650 119.950 0.008 0.000 2.163 261 F HA -0.109 4.418 4.527 -0.000 0.000 0.297 261 F C 2.304 178.111 175.800 0.012 0.000 1.094 261 F CA 0.709 58.714 58.000 0.009 0.000 1.290 261 F CB -0.201 38.803 39.000 0.007 0.000 1.017 261 F HN -0.026 nan 8.300 nan 0.000 0.483 262 I N 0.040 120.731 120.570 0.203 0.000 2.163 262 I HA -0.286 3.884 4.170 0.000 0.000 0.243 262 I C 2.127 178.294 176.117 0.083 0.000 1.085 262 I CA 1.618 62.990 61.300 0.119 0.000 1.347 262 I CB -0.552 37.500 38.000 0.088 0.000 1.044 262 I HN 0.160 nan 8.210 nan 0.000 0.408 263 E N 0.113 120.347 120.200 0.057 0.000 2.204 263 E HA -0.270 4.080 4.350 0.000 0.000 0.194 263 E C 2.078 178.693 176.600 0.024 0.000 0.989 263 E CA 0.846 57.268 56.400 0.036 0.000 0.824 263 E CB -0.009 29.700 29.700 0.015 0.000 0.756 263 E HN 0.387 nan 8.360 nan 0.000 0.477 264 Q N 1.194 121.003 119.800 0.015 0.000 2.137 264 Q HA -0.142 4.198 4.340 0.000 0.000 0.198 264 Q C 1.735 177.759 176.000 0.040 0.000 0.960 264 Q CA 1.428 57.234 55.803 0.005 0.000 0.847 264 Q CB 0.089 28.807 28.738 -0.033 0.000 0.915 264 Q HN 0.202 nan 8.270 nan 0.000 0.448 265 E N 0.003 120.248 120.200 0.076 0.000 2.072 265 E HA -0.201 4.149 4.350 0.000 0.000 0.191 265 E C 1.515 178.158 176.600 0.071 0.000 0.985 265 E CA 1.275 57.722 56.400 0.080 0.000 0.801 265 E CB 0.017 29.774 29.700 0.095 0.000 0.750 265 E HN 0.682 nan 8.360 nan 0.000 0.452 266 E N 0.346 120.594 120.200 0.080 0.000 2.481 266 E HA -0.141 4.209 4.350 0.000 0.000 0.195 266 E C 1.834 178.476 176.600 0.070 0.000 1.047 266 E CA 0.465 56.932 56.400 0.111 0.000 0.867 266 E CB 0.016 29.802 29.700 0.145 0.000 0.858 266 E HN 0.014 nan 8.360 nan 0.000 0.513 267 K N 0.698 121.113 120.400 0.025 0.000 2.365 267 K HA 0.044 4.364 4.320 0.000 0.000 0.197 267 K C 1.845 178.426 176.600 -0.032 0.000 1.042 267 K CA 0.436 56.708 56.287 -0.025 0.000 0.987 267 K CB 0.083 32.570 32.500 -0.022 0.000 0.779 267 K HN 0.180 nan 8.250 nan 0.000 0.484 268 M N 0.230 119.831 119.600 0.002 0.000 2.349 268 M HA -0.066 4.415 4.480 0.000 0.000 0.266 268 M C 1.398 177.701 176.300 0.005 0.000 1.076 268 M CA 0.602 55.905 55.300 0.004 0.000 1.126 268 M CB 0.132 32.746 32.600 0.023 0.000 1.392 268 M HN 0.071 nan 8.290 nan 0.000 0.440 269 L N 0.344 121.582 121.223 0.025 0.000 2.209 269 L HA -0.026 4.314 4.340 0.000 0.000 0.207 269 L C 2.151 178.999 176.870 -0.037 0.000 1.094 269 L CA 1.672 56.545 54.840 0.056 0.000 0.790 269 L CB -0.642 41.513 42.059 0.160 0.000 0.932 269 L HN 0.153 nan 8.230 nan 0.000 0.447 270 K N -0.443 119.834 120.400 -0.204 0.000 2.097 270 K HA -0.152 4.168 4.320 0.000 0.000 0.206 270 K C 1.586 178.056 176.600 -0.218 0.000 1.049 270 K CA 1.291 57.310 56.287 -0.448 0.000 0.933 270 K CB -0.085 32.103 32.500 -0.522 0.000 0.717 270 K HN 0.266 nan 8.250 nan 0.000 0.442 271 D N 0.722 121.048 120.400 -0.123 0.000 2.117 271 D HA -0.126 4.514 4.640 0.000 0.000 0.198 271 D C 1.873 178.144 176.300 -0.049 0.000 0.982 271 D CA 1.253 55.209 54.000 -0.074 0.000 0.828 271 D CB -0.052 40.721 40.800 -0.046 0.000 0.967 271 D HN 0.181 nan 8.370 nan 0.000 0.464 272 M N 0.123 119.704 119.600 -0.031 0.000 2.117 272 M HA -0.122 4.358 4.480 0.000 0.000 0.262 272 M C 2.292 178.588 176.300 -0.006 0.000 1.065 272 M CA 0.869 56.164 55.300 -0.008 0.000 1.114 272 M CB -0.074 32.533 32.600 0.012 0.000 1.361 272 M HN -0.118 nan 8.290 nan 0.000 0.408 273 V N 0.245 120.153 119.914 -0.010 0.000 2.515 273 V HA -0.199 3.921 4.120 0.000 0.000 0.250 273 V C 2.506 178.587 176.094 -0.022 0.000 1.058 273 V CA 1.843 64.143 62.300 0.000 0.000 1.064 273 V CB -1.124 30.721 31.823 0.036 0.000 0.675 273 V HN 0.512 nan 8.190 nan 0.000 0.461 274 A N -0.602 122.189 122.820 -0.049 0.000 2.066 274 A HA -0.130 4.190 4.320 0.000 0.000 0.218 274 A C 2.120 179.687 177.584 -0.027 0.000 1.157 274 A CA 1.207 53.217 52.037 -0.045 0.000 0.670 274 A CB -0.306 18.656 19.000 -0.064 0.000 0.804 274 A HN 0.610 nan 8.150 nan 0.000 0.453 275 E N -0.505 119.683 120.200 -0.021 0.000 2.230 275 E HA 0.017 4.367 4.350 0.000 0.000 0.192 275 E C 1.547 178.144 176.600 -0.005 0.000 0.987 275 E CA 0.582 56.975 56.400 -0.012 0.000 0.841 275 E CB -0.079 29.616 29.700 -0.008 0.000 0.783 275 E HN 0.700 nan 8.360 nan 0.000 0.481 276 I N 0.933 121.501 120.570 -0.003 0.000 2.480 276 I HA -0.167 4.003 4.170 0.000 0.000 0.251 276 I C 2.426 178.543 176.117 -0.000 0.000 1.124 276 I CA 0.746 62.047 61.300 0.002 0.000 1.444 276 I CB -0.018 37.985 38.000 0.005 0.000 1.098 276 I HN -0.063 nan 8.210 nan 0.000 0.428 277 K N 1.519 121.916 120.400 -0.005 0.000 2.283 277 K HA -0.095 4.225 4.320 0.000 0.000 0.202 277 K C 2.038 178.635 176.600 -0.005 0.000 1.048 277 K CA 1.053 57.336 56.287 -0.006 0.000 0.948 277 K CB 0.049 32.543 32.500 -0.010 0.000 0.742 277 K HN 0.294 nan 8.250 nan 0.000 0.458 278 A N 0.716 123.532 122.820 -0.006 0.000 2.014 278 A HA -0.104 4.216 4.320 0.000 0.000 0.218 278 A C 1.974 179.557 177.584 -0.001 0.000 1.163 278 A CA 1.718 53.752 52.037 -0.005 0.000 0.652 278 A CB -0.340 18.656 19.000 -0.007 0.000 0.808 278 A HN 0.481 nan 8.150 nan 0.000 0.449 279 S N -2.203 113.498 115.700 0.002 0.000 2.470 279 S HA 0.358 4.828 4.470 0.000 0.000 0.225 279 S C 1.463 176.067 174.600 0.007 0.000 1.006 279 S CA 1.140 59.344 58.200 0.006 0.000 0.934 279 S CB -0.150 63.056 63.200 0.009 0.000 0.778 279 S HN 1.830 nan 8.310 nan 0.000 0.517 280 G N 0.693 109.496 108.800 0.005 0.000 2.148 280 G HA2 0.024 3.984 3.960 0.000 0.000 0.203 280 G HA3 0.024 3.984 3.960 0.000 0.000 0.203 280 G C 0.103 175.007 174.900 0.008 0.000 0.993 280 G CA -0.217 44.886 45.100 0.005 0.000 0.661 280 G HN 1.190 nan 8.290 nan 0.000 0.518 281 A N 0.528 123.354 122.820 0.009 0.000 2.366 281 A HA 0.624 4.944 4.320 0.000 0.000 0.272 281 A C 1.017 178.603 177.584 0.003 0.000 1.135 281 A CA 0.511 52.555 52.037 0.012 0.000 0.804 281 A CB 0.281 19.292 19.000 0.018 0.000 1.064 281 A HN 0.975 nan 8.150 nan 0.000 0.499 282 N N 1.254 119.956 118.700 0.003 0.000 2.177 282 N HA 0.188 4.929 4.740 0.000 0.000 0.218 282 N C -0.755 174.742 175.510 -0.022 0.000 1.182 282 N CA 0.002 53.047 53.050 -0.008 0.000 0.882 282 N CB 0.573 39.058 38.487 -0.004 0.000 1.052 282 N HN 0.223 nan 8.380 nan 0.000 0.519 283 V N 1.038 120.939 119.914 -0.021 0.000 2.733 283 V HA 0.511 4.632 4.120 0.000 0.000 0.306 283 V C -1.582 174.467 176.094 -0.076 0.000 1.084 283 V CA -0.918 61.342 62.300 -0.066 0.000 0.905 283 V CB 2.370 34.179 31.823 -0.024 0.000 1.010 283 V HN 0.164 nan 8.190 nan 0.000 0.424 284 L N 4.911 126.010 121.223 -0.207 0.000 2.438 284 L HA 0.718 5.058 4.340 0.000 0.000 0.270 284 L C -1.738 174.948 176.870 -0.307 0.000 0.972 284 L CA 0.048 54.800 54.840 -0.145 0.000 0.831 284 L CB 1.728 43.737 42.059 -0.083 0.000 1.273 284 L HN 0.499 nan 8.230 nan 0.000 0.405 285 F N 4.990 124.948 119.950 0.013 0.000 2.382 285 F HA 0.452 4.979 4.527 0.000 0.000 0.361 285 F C 0.039 175.845 175.800 0.011 0.000 1.109 285 F CA -0.371 57.635 58.000 0.011 0.000 1.031 285 F CB 1.419 40.424 39.000 0.009 0.000 1.234 285 F HN 0.514 nan 8.300 nan 0.000 0.445 286 C N 4.306 123.694 119.300 0.147 0.000 2.341 286 C HA 0.241 4.701 4.460 0.000 0.000 0.338 286 C C 1.567 176.615 174.990 0.097 0.000 1.257 286 C CA -0.257 58.819 59.018 0.097 0.000 1.883 286 C CB 0.953 28.725 27.740 0.053 0.000 2.334 286 C HN 1.037 nan 8.230 nan 0.000 0.524 287 Q N 2.631 122.474 119.800 0.073 0.000 2.163 287 Q HA 0.041 4.381 4.340 0.000 0.000 0.198 287 Q C 0.947 176.973 176.000 0.043 0.000 0.954 287 Q CA 1.022 56.858 55.803 0.055 0.000 0.851 287 Q CB 0.211 28.974 28.738 0.040 0.000 0.928 287 Q HN 0.653 nan 8.270 nan 0.000 0.459 288 K N -0.207 120.216 120.400 0.038 0.000 2.760 288 K HA 0.355 4.675 4.320 0.000 0.000 0.285 288 K C 0.145 176.764 176.600 0.031 0.000 1.016 288 K CA -0.019 56.287 56.287 0.031 0.000 1.087 288 K CB -0.370 32.146 32.500 0.026 0.000 1.427 288 K HN 0.149 nan 8.250 nan 0.000 0.524 289 G N 0.328 109.143 108.800 0.026 0.000 2.448 289 G HA2 0.530 4.490 3.960 0.000 0.000 0.285 289 G HA3 0.530 4.490 3.960 0.000 0.000 0.285 289 G C -0.424 174.491 174.900 0.026 0.000 1.176 289 G CA -0.573 44.542 45.100 0.024 0.000 0.852 289 G HN 0.309 nan 8.290 nan 0.000 0.530 290 I N 1.216 121.800 120.570 0.024 0.000 2.406 290 I HA 0.168 4.338 4.170 0.000 0.000 0.290 290 I C -0.235 175.898 176.117 0.026 0.000 0.999 290 I CA -0.808 60.508 61.300 0.026 0.000 1.124 290 I CB 1.856 39.869 38.000 0.021 0.000 1.289 290 I HN 0.371 nan 8.210 nan 0.000 0.441 291 D N 4.424 124.844 120.400 0.034 0.000 2.400 291 D HA -0.072 4.568 4.640 0.000 0.000 0.238 291 D C 0.664 176.982 176.300 0.031 0.000 1.157 291 D CA 0.301 54.322 54.000 0.034 0.000 0.889 291 D CB 1.312 42.139 40.800 0.046 0.000 1.199 291 D HN 0.513 nan 8.370 nan 0.000 0.436 292 D N 2.108 122.518 120.400 0.017 0.000 2.144 292 D HA -0.108 4.532 4.640 0.000 0.000 0.199 292 D C 2.085 178.378 176.300 -0.012 0.000 0.984 292 D CA 0.707 54.707 54.000 0.000 0.000 0.834 292 D CB 0.103 40.896 40.800 -0.012 0.000 0.955 292 D HN 0.418 nan 8.370 nan 0.000 0.465 293 L N 0.240 121.459 121.223 -0.007 0.000 2.046 293 L HA -0.158 4.182 4.340 0.000 0.000 0.208 293 L C 2.482 179.346 176.870 -0.010 0.000 1.077 293 L CA 1.301 56.111 54.840 -0.050 0.000 0.747 293 L CB -0.348 41.743 42.059 0.053 0.000 0.896 293 L HN -0.020 nan 8.230 nan 0.000 0.432 294 A N -0.822 122.069 122.820 0.118 0.000 2.015 294 A HA -0.195 4.125 4.320 0.000 0.000 0.219 294 A C 2.187 179.832 177.584 0.101 0.000 1.163 294 A CA 1.122 53.272 52.037 0.187 0.000 0.646 294 A CB -0.323 18.761 19.000 0.140 0.000 0.806 294 A HN 0.486 nan 8.150 nan 0.000 0.448 295 Q N -1.322 118.504 119.800 0.044 0.000 2.119 295 Q HA -0.183 4.157 4.340 0.000 0.000 0.201 295 Q C 2.093 178.096 176.000 0.004 0.000 0.972 295 Q CA 1.395 57.209 55.803 0.019 0.000 0.847 295 Q CB -0.334 28.410 28.738 0.010 0.000 0.903 295 Q HN 0.917 nan 8.270 nan 0.000 0.433 296 H N -0.402 118.588 119.070 -0.134 0.000 2.357 296 H HA -0.134 4.422 4.556 0.000 0.000 0.301 296 H C 1.283 176.516 175.328 -0.159 0.000 1.082 296 H CA 1.359 57.286 56.048 -0.202 0.000 1.342 296 H CB 0.170 29.726 29.762 -0.343 0.000 1.389 296 H HN 0.279 nan 8.280 nan 0.000 0.511 297 Y N 0.709 120.964 120.300 -0.075 0.000 2.263 297 Y HA -0.082 4.468 4.550 0.000 0.000 0.292 297 Y C 2.901 178.729 175.900 -0.119 0.000 1.130 297 Y CA 0.517 58.543 58.100 -0.125 0.000 1.179 297 Y CB -0.509 37.946 38.460 -0.008 0.000 0.998 297 Y HN 0.108 nan 8.280 nan 0.000 0.532 298 L N -0.797 120.467 121.223 0.068 0.000 2.046 298 L HA -0.234 4.106 4.340 0.000 0.000 0.208 298 L C 2.587 179.435 176.870 -0.037 0.000 1.077 298 L CA 1.280 56.128 54.840 0.012 0.000 0.747 298 L CB -0.693 41.370 42.059 0.006 0.000 0.896 298 L HN 0.220 nan 8.230 nan 0.000 0.432 299 A N -0.551 122.224 122.820 -0.076 0.000 1.968 299 A HA -0.209 4.111 4.320 0.000 0.000 0.217 299 A C 2.363 179.883 177.584 -0.106 0.000 1.169 299 A CA 1.492 53.477 52.037 -0.087 0.000 0.638 299 A CB -0.337 18.611 19.000 -0.088 0.000 0.812 299 A HN 0.305 nan 8.150 nan 0.000 0.446 300 K N -0.332 119.970 120.400 -0.163 0.000 2.155 300 K HA -0.094 4.226 4.320 0.000 0.000 0.203 300 K C 1.325 177.890 176.600 -0.060 0.000 1.052 300 K CA 1.184 57.386 56.287 -0.141 0.000 0.948 300 K CB 0.008 32.388 32.500 -0.201 0.000 0.728 300 K HN 0.397 nan 8.250 nan 0.000 0.448 301 E N -0.746 119.430 120.200 -0.039 0.000 2.371 301 E HA -0.012 4.338 4.350 0.000 0.000 0.194 301 E C 0.998 177.584 176.600 -0.024 0.000 1.012 301 E CA 0.897 57.284 56.400 -0.021 0.000 0.860 301 E CB 0.585 30.279 29.700 -0.010 0.000 0.811 301 E HN 0.565 nan 8.360 nan 0.000 0.502 302 G N 1.741 110.522 108.800 -0.032 0.000 2.141 302 G HA2 -0.255 3.705 3.960 0.000 0.000 0.231 302 G HA3 -0.255 3.705 3.960 0.000 0.000 0.231 302 G C 0.250 175.132 174.900 -0.030 0.000 0.984 302 G CA 0.010 45.093 45.100 -0.029 0.000 0.660 302 G HN 0.221 nan 8.290 nan 0.000 0.525 303 I N 1.712 122.262 120.570 -0.033 0.000 2.312 303 I HA 0.309 4.479 4.170 0.000 0.000 0.291 303 I C 0.811 176.893 176.117 -0.059 0.000 1.031 303 I CA -0.915 60.362 61.300 -0.039 0.000 1.293 303 I CB 1.451 39.433 38.000 -0.030 0.000 1.403 303 I HN -0.117 nan 8.210 nan 0.000 0.484 304 V N 6.617 126.487 119.914 -0.075 0.000 2.470 304 V HA 0.447 4.567 4.120 0.000 0.000 0.276 304 V C 0.644 176.631 176.094 -0.179 0.000 1.040 304 V CA -0.124 62.111 62.300 -0.108 0.000 1.008 304 V CB 0.507 32.267 31.823 -0.104 0.000 0.990 304 V HN 0.856 nan 8.190 nan 0.000 0.477 305 A N 4.466 127.183 122.820 -0.171 0.000 2.423 305 A HA 1.005 5.325 4.320 0.000 0.000 0.304 305 A C -0.375 177.085 177.584 -0.208 0.000 1.104 305 A CA -0.347 51.564 52.037 -0.210 0.000 0.757 305 A CB 2.013 20.947 19.000 -0.111 0.000 1.313 305 A HN 1.384 nan 8.150 nan 0.000 0.423 306 A N 1.255 123.940 122.820 -0.226 0.000 2.398 306 A HA 0.729 5.049 4.320 0.000 0.000 0.301 306 A C -0.245 177.339 177.584 0.001 0.000 1.041 306 A CA -0.726 51.251 52.037 -0.099 0.000 0.711 306 A CB 0.957 19.906 19.000 -0.085 0.000 1.240 306 A HN 1.161 nan 8.150 nan 0.000 0.420 307 R N 1.612 122.125 120.500 0.021 0.000 2.643 307 R HA 0.760 5.100 4.340 0.000 0.000 0.272 307 R C -0.454 175.876 176.300 0.051 0.000 0.995 307 R CA -0.806 55.316 56.100 0.036 0.000 1.032 307 R CB 0.653 30.966 30.300 0.022 0.000 1.126 307 R HN 0.665 nan 8.270 nan 0.000 0.505 308 R N 0.142 120.671 120.500 0.048 0.000 3.127 308 R HA -0.133 4.207 4.340 0.000 0.000 0.247 308 R C -0.764 175.569 176.300 0.055 0.000 0.896 308 R CA 0.498 56.624 56.100 0.044 0.000 0.624 308 R CB -1.648 28.671 30.300 0.032 0.000 1.154 308 R HN 0.428 nan 8.270 nan 0.000 0.474 309 V N 2.266 122.226 119.914 0.076 0.000 2.546 309 V HA 0.105 4.225 4.120 0.000 0.000 0.284 309 V C 1.156 177.272 176.094 0.037 0.000 1.050 309 V CA -0.469 61.878 62.300 0.078 0.000 0.981 309 V CB 1.482 33.386 31.823 0.134 0.000 0.990 309 V HN 0.161 nan 8.190 nan 0.000 0.474 310 K N 3.313 123.722 120.400 0.016 0.000 2.527 310 K HA -0.028 4.292 4.320 0.000 0.000 0.278 310 K C 1.268 177.864 176.600 -0.007 0.000 0.981 310 K CA 0.226 56.514 56.287 0.001 0.000 1.009 310 K CB 0.467 32.961 32.500 -0.010 0.000 0.895 310 K HN 0.615 nan 8.250 nan 0.000 0.493 311 K N 1.638 122.035 120.400 -0.005 0.000 2.152 311 K HA -0.177 4.143 4.320 0.000 0.000 0.206 311 K C 1.653 178.241 176.600 -0.020 0.000 1.048 311 K CA 1.891 58.173 56.287 -0.008 0.000 0.933 311 K CB 0.120 32.618 32.500 -0.004 0.000 0.721 311 K HN 0.626 nan 8.250 nan 0.000 0.447 312 S N 0.126 115.811 115.700 -0.024 0.000 2.414 312 S HA -0.076 4.394 4.470 0.000 0.000 0.227 312 S C 1.423 175.992 174.600 -0.051 0.000 1.022 312 S CA 0.920 59.100 58.200 -0.033 0.000 0.958 312 S CB -0.052 63.130 63.200 -0.030 0.000 0.797 312 S HN 0.261 nan 8.310 nan 0.000 0.493 313 D N 1.243 121.607 120.400 -0.060 0.000 2.224 313 D HA 0.088 4.728 4.640 0.000 0.000 0.205 313 D C 1.887 178.113 176.300 -0.123 0.000 0.965 313 D CA 0.752 54.693 54.000 -0.098 0.000 0.852 313 D CB -0.157 40.583 40.800 -0.100 0.000 0.947 313 D HN 0.321 nan 8.370 nan 0.000 0.494 314 M N 0.394 119.944 119.600 -0.082 0.000 2.175 314 M HA -0.074 4.406 4.480 0.000 0.000 0.264 314 M C 1.827 178.087 176.300 -0.067 0.000 1.063 314 M CA 1.129 56.385 55.300 -0.074 0.000 1.119 314 M CB -0.678 31.907 32.600 -0.024 0.000 1.377 314 M HN 0.061 nan 8.290 nan 0.000 0.415 315 E N -0.140 120.028 120.200 -0.053 0.000 2.208 315 E HA -0.125 4.225 4.350 0.000 0.000 0.193 315 E C 2.090 178.656 176.600 -0.056 0.000 0.988 315 E CA 0.589 56.963 56.400 -0.044 0.000 0.828 315 E CB 0.124 29.805 29.700 -0.033 0.000 0.763 315 E HN 0.355 nan 8.360 nan 0.000 0.478 316 K N 0.718 121.072 120.400 -0.077 0.000 2.001 316 K HA -0.086 4.234 4.320 0.000 0.000 0.208 316 K C 2.253 178.791 176.600 -0.103 0.000 1.048 316 K CA 0.784 57.018 56.287 -0.088 0.000 0.932 316 K CB -0.363 32.074 32.500 -0.105 0.000 0.715 316 K HN 0.174 nan 8.250 nan 0.000 0.437 317 L N 0.799 121.935 121.223 -0.145 0.000 2.083 317 L HA -0.170 4.170 4.340 0.000 0.000 0.209 317 L C 2.575 179.392 176.870 -0.089 0.000 1.083 317 L CA 1.211 55.951 54.840 -0.166 0.000 0.752 317 L CB -0.560 41.325 42.059 -0.289 0.000 0.899 317 L HN 0.135 nan 8.230 nan 0.000 0.433 318 A N -0.115 122.666 122.820 -0.065 0.000 1.933 318 A HA -0.197 4.123 4.320 0.000 0.000 0.218 318 A C 2.291 179.863 177.584 -0.021 0.000 1.175 318 A CA 1.585 53.604 52.037 -0.030 0.000 0.628 318 A CB -0.258 18.729 19.000 -0.021 0.000 0.814 318 A HN 0.345 nan 8.150 nan 0.000 0.444 319 K N -0.816 119.565 120.400 -0.032 0.000 2.314 319 K HA 0.217 4.537 4.320 0.000 0.000 0.198 319 K C 2.072 178.656 176.600 -0.027 0.000 1.045 319 K CA 0.684 56.957 56.287 -0.024 0.000 0.988 319 K CB -0.016 32.466 32.500 -0.030 0.000 0.783 319 K HN 0.424 nan 8.250 nan 0.000 0.484 320 A N 1.206 124.003 122.820 -0.039 0.000 1.887 320 A HA -0.076 4.245 4.320 0.000 0.000 0.212 320 A C 2.214 179.788 177.584 -0.016 0.000 1.198 320 A CA 1.556 53.569 52.037 -0.040 0.000 0.628 320 A CB -0.527 18.438 19.000 -0.058 0.000 0.847 320 A HN 0.333 nan 8.150 nan 0.000 0.449 321 T N -4.433 110.114 114.554 -0.010 0.000 3.044 321 T HA 0.401 4.751 4.350 0.000 0.000 0.255 321 T C 1.261 175.977 174.700 0.028 0.000 1.073 321 T CA 1.157 63.265 62.100 0.013 0.000 1.125 321 T CB 0.051 68.930 68.868 0.018 0.000 0.908 321 T HN 1.750 nan 8.240 nan 0.000 0.480 322 G N 1.141 109.954 108.800 0.023 0.000 2.392 322 G HA2 0.258 4.218 3.960 0.000 0.000 0.215 322 G HA3 0.258 4.218 3.960 0.000 0.000 0.215 322 G C 0.010 174.926 174.900 0.027 0.000 1.097 322 G CA -0.212 44.907 45.100 0.031 0.000 0.840 322 G HN 1.013 nan 8.290 nan 0.000 0.492 323 A N -0.288 122.545 122.820 0.021 0.000 2.373 323 A HA 0.932 5.252 4.320 0.000 0.000 0.291 323 A C 0.017 177.612 177.584 0.019 0.000 1.171 323 A CA -0.803 51.249 52.037 0.025 0.000 0.922 323 A CB 1.068 20.088 19.000 0.034 0.000 1.400 323 A HN 0.367 nan 8.150 nan 0.000 0.474 324 N N -0.601 118.112 118.700 0.022 0.000 2.249 324 N HA 0.409 5.149 4.740 0.000 0.000 0.296 324 N C -1.436 174.087 175.510 0.021 0.000 1.051 324 N CA -0.359 52.701 53.050 0.018 0.000 0.815 324 N CB 2.013 40.510 38.487 0.016 0.000 1.487 324 N HN 0.266 nan 8.380 nan 0.000 0.475 325 V N 3.265 123.189 119.914 0.017 0.000 2.387 325 V HA 0.232 4.352 4.120 0.000 0.000 0.260 325 V C 0.363 176.468 176.094 0.020 0.000 1.054 325 V CA -0.279 62.033 62.300 0.020 0.000 0.967 325 V CB -0.252 31.578 31.823 0.013 0.000 1.036 325 V HN 0.432 nan 8.190 nan 0.000 0.481 326 I N 4.844 125.428 120.570 0.024 0.000 2.336 326 I HA 0.273 4.444 4.170 0.000 0.000 0.292 326 I C 1.209 177.339 176.117 0.021 0.000 0.991 326 I CA 0.046 61.359 61.300 0.021 0.000 1.227 326 I CB 1.359 39.372 38.000 0.022 0.000 1.366 326 I HN 0.531 nan 8.210 nan 0.000 0.466 327 T N 3.384 117.949 114.554 0.017 0.000 3.086 327 T HA 0.050 4.400 4.350 0.000 0.000 0.250 327 T C 0.686 175.396 174.700 0.016 0.000 1.074 327 T CA 0.190 62.300 62.100 0.017 0.000 0.988 327 T CB -0.354 68.523 68.868 0.014 0.000 0.988 327 T HN 0.448 nan 8.240 nan 0.000 0.530 328 N N 0.748 119.457 118.700 0.015 0.000 2.504 328 N HA 0.364 5.104 4.740 0.000 0.000 0.280 328 N C 0.296 175.814 175.510 0.014 0.000 1.052 328 N CA -0.531 52.527 53.050 0.014 0.000 0.887 328 N CB 0.993 39.486 38.487 0.011 0.000 1.323 328 N HN 0.024 nan 8.380 nan 0.000 0.509 329 I N 2.533 123.111 120.570 0.014 0.000 2.756 329 I HA -0.103 4.067 4.170 0.000 0.000 0.262 329 I C 1.352 177.475 176.117 0.010 0.000 1.225 329 I CA 0.901 62.209 61.300 0.014 0.000 1.472 329 I CB 0.278 38.287 38.000 0.015 0.000 1.094 329 I HN 0.425 nan 8.210 nan 0.000 0.454 330 K N -0.144 120.261 120.400 0.008 0.000 2.217 330 K HA -0.111 4.210 4.320 0.000 0.000 0.202 330 K C 1.105 177.708 176.600 0.005 0.000 1.051 330 K CA 0.852 57.142 56.287 0.005 0.000 0.952 330 K CB -0.211 32.292 32.500 0.005 0.000 0.736 330 K HN 0.377 nan 8.250 nan 0.000 0.453 331 D N 0.859 121.263 120.400 0.007 0.000 2.388 331 D HA -0.004 4.636 4.640 0.000 0.000 0.221 331 D C -0.475 175.831 176.300 0.009 0.000 1.133 331 D CA -0.202 53.802 54.000 0.007 0.000 0.831 331 D CB 0.248 41.053 40.800 0.008 0.000 0.962 331 D HN -0.057 nan 8.370 nan 0.000 0.502 332 L N 1.642 122.870 121.223 0.010 0.000 2.536 332 L HA 0.086 4.426 4.340 0.000 0.000 0.282 332 L C 0.244 177.120 176.870 0.010 0.000 1.147 332 L CA 0.248 55.096 54.840 0.012 0.000 0.936 332 L CB 0.456 42.523 42.059 0.014 0.000 1.279 332 L HN -0.238 nan 8.230 nan 0.000 0.461 333 S N 3.092 118.799 115.700 0.010 0.000 2.624 333 S HA 0.541 5.011 4.470 0.000 0.000 0.263 333 S C 1.380 175.986 174.600 0.010 0.000 1.287 333 S CA -0.036 58.170 58.200 0.009 0.000 0.990 333 S CB 1.381 64.586 63.200 0.008 0.000 0.950 333 S HN 0.796 nan 8.310 nan 0.000 0.561 334 A N 1.543 124.368 122.820 0.009 0.000 2.119 334 A HA 0.084 4.404 4.320 0.000 0.000 0.216 334 A C 1.714 179.305 177.584 0.011 0.000 1.152 334 A CA 0.789 52.832 52.037 0.010 0.000 0.708 334 A CB -0.416 18.588 19.000 0.007 0.000 0.805 334 A HN 0.794 nan 8.150 nan 0.000 0.460 335 Q N 0.092 119.899 119.800 0.011 0.000 2.403 335 Q HA 0.046 4.386 4.340 0.000 0.000 0.203 335 Q C 0.043 176.051 176.000 0.014 0.000 0.932 335 Q CA 0.575 56.384 55.803 0.011 0.000 0.945 335 Q CB 0.307 29.050 28.738 0.008 0.000 1.045 335 Q HN 0.470 nan 8.270 nan 0.000 0.511 336 D N -0.255 120.154 120.400 0.016 0.000 2.325 336 D HA 0.093 4.733 4.640 0.000 0.000 0.225 336 D C -0.315 176.000 176.300 0.026 0.000 1.096 336 D CA 0.183 54.194 54.000 0.019 0.000 0.844 336 D CB 0.292 41.103 40.800 0.019 0.000 0.925 336 D HN 0.231 nan 8.370 nan 0.000 0.513 337 L N 0.241 121.480 121.223 0.027 0.000 2.325 337 L HA 0.534 4.874 4.340 0.000 0.000 0.279 337 L C 1.249 178.140 176.870 0.036 0.000 1.054 337 L CA -0.913 53.948 54.840 0.034 0.000 0.804 337 L CB 1.594 43.672 42.059 0.032 0.000 1.200 337 L HN -0.123 nan 8.230 nan 0.000 0.436 338 G N 0.297 109.124 108.800 0.045 0.000 2.522 338 G HA2 0.403 4.364 3.960 0.000 0.000 0.304 338 G HA3 0.403 4.364 3.960 0.000 0.000 0.304 338 G C -1.557 173.371 174.900 0.047 0.000 1.210 338 G CA -0.117 45.009 45.100 0.043 0.000 0.960 338 G HN 0.624 nan 8.290 nan 0.000 0.497 339 D N -1.119 119.308 120.400 0.044 0.000 2.686 339 D HA 0.580 5.221 4.640 0.000 0.000 0.249 339 D C -0.440 175.888 176.300 0.046 0.000 1.260 339 D CA -0.098 53.928 54.000 0.044 0.000 0.910 339 D CB 1.567 42.389 40.800 0.037 0.000 1.323 339 D HN 0.573 nan 8.370 nan 0.000 0.561 340 A N 1.903 124.754 122.820 0.052 0.000 2.414 340 A HA 0.653 4.973 4.320 0.000 0.000 0.306 340 A C 1.080 178.695 177.584 0.051 0.000 1.054 340 A CA -0.347 51.721 52.037 0.052 0.000 0.724 340 A CB 1.682 20.720 19.000 0.064 0.000 1.267 340 A HN 0.579 nan 8.150 nan 0.000 0.418 341 G N 0.149 108.976 108.800 0.046 0.000 2.511 341 G HA2 0.341 4.301 3.960 0.000 0.000 0.217 341 G HA3 0.341 4.301 3.960 0.000 0.000 0.217 341 G C 0.242 175.168 174.900 0.044 0.000 1.133 341 G CA 0.742 45.867 45.100 0.041 0.000 0.792 341 G HN 0.653 nan 8.290 nan 0.000 0.539 342 L N 0.383 121.640 121.223 0.057 0.000 2.543 342 L HA 0.485 4.825 4.340 0.000 0.000 0.265 342 L C -1.615 175.310 176.870 0.091 0.000 0.945 342 L CA -0.696 54.181 54.840 0.062 0.000 0.869 342 L CB 2.717 44.808 42.059 0.055 0.000 1.294 342 L HN -0.176 nan 8.230 nan 0.000 0.405 343 V N 3.629 123.598 119.914 0.091 0.000 2.443 343 V HA 0.551 4.671 4.120 0.000 0.000 0.293 343 V C -0.581 175.574 176.094 0.101 0.000 1.021 343 V CA -0.471 61.906 62.300 0.127 0.000 0.848 343 V CB 1.708 33.611 31.823 0.133 0.000 0.998 343 V HN 0.743 nan 8.190 nan 0.000 0.424 344 E N 3.106 123.384 120.200 0.129 0.000 2.356 344 E HA 0.428 4.778 4.350 0.000 0.000 0.275 344 E C -1.182 175.484 176.600 0.110 0.000 0.904 344 E CA -0.680 55.764 56.400 0.075 0.000 0.757 344 E CB 2.423 32.129 29.700 0.010 0.000 1.232 344 E HN 0.751 nan 8.360 nan 0.000 0.442 345 E N 4.368 124.606 120.200 0.063 0.000 2.046 345 E HA 0.248 4.598 4.350 0.000 0.000 0.279 345 E C -0.758 175.854 176.600 0.021 0.000 0.989 345 E CA -0.348 56.102 56.400 0.083 0.000 0.798 345 E CB 0.648 30.384 29.700 0.060 0.000 1.086 345 E HN 0.342 nan 8.360 nan 0.000 0.399 346 R N 3.060 123.562 120.500 0.004 0.000 2.674 346 R HA 0.404 4.744 4.340 0.000 0.000 0.266 346 R C -0.236 176.067 176.300 0.006 0.000 1.016 346 R CA -0.834 55.197 56.100 -0.114 0.000 1.062 346 R CB 1.256 31.270 30.300 -0.477 0.000 1.142 346 R HN 0.276 nan 8.270 nan 0.000 0.517 347 K N 1.819 122.207 120.400 -0.020 0.000 2.423 347 K HA 0.253 4.573 4.320 0.000 0.000 0.234 347 K C -0.948 175.668 176.600 0.027 0.000 1.051 347 K CA -0.445 55.857 56.287 0.024 0.000 1.021 347 K CB 0.674 33.180 32.500 0.010 0.000 1.474 347 K HN 0.257 nan 8.250 nan 0.000 0.474 348 I N 1.638 122.263 120.570 0.091 0.000 2.315 348 I HA 0.008 4.178 4.170 0.000 0.000 0.291 348 I C 0.467 176.635 176.117 0.086 0.000 1.006 348 I CA 0.687 62.049 61.300 0.104 0.000 1.265 348 I CB 1.312 39.453 38.000 0.236 0.000 1.387 348 I HN 0.643 nan 8.210 nan 0.000 0.475 349 S N 5.078 120.810 115.700 0.053 0.000 3.706 349 S HA -0.152 4.318 4.470 0.000 0.000 0.363 349 S C 1.111 175.730 174.600 0.032 0.000 0.999 349 S CA 1.416 59.638 58.200 0.038 0.000 1.143 349 S CB -1.567 61.656 63.200 0.038 0.000 0.902 349 S HN 2.077 nan 8.310 nan 0.000 0.476 350 G N 0.731 109.548 108.800 0.028 0.000 3.444 350 G HA2 -0.301 3.659 3.960 0.000 0.000 0.222 350 G HA3 -0.301 3.659 3.960 0.000 0.000 0.222 350 G C -0.207 174.711 174.900 0.030 0.000 1.358 350 G CA 0.372 45.486 45.100 0.023 0.000 0.880 350 G HN 0.763 nan 8.290 nan 0.000 0.555 351 D N 1.831 122.254 120.400 0.037 0.000 2.372 351 D HA 0.495 5.135 4.640 0.000 0.000 0.243 351 D C 0.745 177.084 176.300 0.065 0.000 1.121 351 D CA 0.859 54.885 54.000 0.043 0.000 0.898 351 D CB 1.404 42.227 40.800 0.039 0.000 1.202 351 D HN 0.698 nan 8.370 nan 0.000 0.428 352 S N 1.268 117.006 115.700 0.063 0.000 2.442 352 S HA 0.706 5.176 4.470 0.000 0.000 0.297 352 S C -0.089 174.575 174.600 0.107 0.000 1.131 352 S CA -0.844 57.406 58.200 0.083 0.000 1.092 352 S CB 1.323 64.557 63.200 0.057 0.000 0.998 352 S HN 0.382 nan 8.310 nan 0.000 0.478 353 M N 2.340 122.045 119.600 0.174 0.000 2.631 353 M HA 0.516 4.996 4.480 0.000 0.000 0.288 353 M C -1.145 175.314 176.300 0.265 0.000 1.260 353 M CA -0.726 54.680 55.300 0.176 0.000 0.842 353 M CB 2.217 34.889 32.600 0.120 0.000 1.743 353 M HN 0.583 nan 8.290 nan 0.000 0.461 354 I N 1.820 122.518 120.570 0.213 0.000 2.304 354 I HA 0.236 4.406 4.170 0.000 0.000 0.291 354 I C -1.191 175.083 176.117 0.261 0.000 1.018 354 I CA -0.253 61.209 61.300 0.270 0.000 1.260 354 I CB 0.384 38.559 38.000 0.291 0.000 1.390 354 I HN 0.385 nan 8.210 nan 0.000 0.475 355 F N 6.333 126.326 119.950 0.072 0.000 2.375 355 F HA 0.229 4.756 4.527 0.000 0.000 0.362 355 F C 0.348 176.186 175.800 0.064 0.000 1.129 355 F CA -0.483 57.546 58.000 0.050 0.000 1.154 355 F CB 0.978 39.998 39.000 0.033 0.000 1.205 355 F HN 0.074 nan 8.300 nan 0.000 0.513 356 V N 5.240 125.238 119.914 0.141 0.000 2.270 356 V HA 0.236 4.356 4.120 0.000 0.000 0.263 356 V C -0.006 176.132 176.094 0.074 0.000 1.066 356 V CA -0.394 61.974 62.300 0.114 0.000 0.857 356 V CB -0.241 31.610 31.823 0.048 0.000 1.099 356 V HN 0.775 nan 8.190 nan 0.000 0.476 357 E N 2.423 122.687 120.200 0.107 0.000 2.428 357 E HA 0.624 4.974 4.350 0.000 0.000 0.259 357 E C -0.553 176.086 176.600 0.065 0.000 0.930 357 E CA -1.049 55.402 56.400 0.084 0.000 0.823 357 E CB 1.267 31.046 29.700 0.132 0.000 1.403 357 E HN 0.310 nan 8.360 nan 0.000 0.415 358 E N -0.691 119.539 120.200 0.051 0.000 2.320 358 E HA -0.187 4.163 4.350 0.000 0.000 0.234 358 E C -0.797 175.824 176.600 0.036 0.000 1.183 358 E CA 0.231 56.655 56.400 0.040 0.000 0.713 358 E CB -1.910 27.814 29.700 0.041 0.000 1.226 358 E HN 0.439 nan 8.360 nan 0.000 0.382 359 C N 0.587 119.904 119.300 0.029 0.000 2.520 359 C HA 0.191 4.651 4.460 0.000 0.000 0.376 359 C C 1.984 176.995 174.990 0.036 0.000 1.268 359 C CA -0.832 58.204 59.018 0.030 0.000 2.414 359 C CB 1.098 28.850 27.740 0.019 0.000 2.521 359 C HN 0.382 nan 8.230 nan 0.000 0.618 360 K N 0.544 120.976 120.400 0.053 0.000 1.995 360 K HA -0.018 4.302 4.320 0.000 0.000 0.207 360 K C 0.509 177.181 176.600 0.121 0.000 1.041 360 K CA 1.492 57.824 56.287 0.075 0.000 0.942 360 K CB -0.327 32.218 32.500 0.074 0.000 0.731 360 K HN 0.734 nan 8.250 nan 0.000 0.439 361 H N 1.353 120.426 119.070 0.004 0.000 2.541 361 H HA 0.275 4.831 4.556 0.000 0.000 0.246 361 H C -2.650 172.677 175.328 -0.002 0.000 1.341 361 H CA -2.185 53.864 56.048 0.001 0.000 1.469 361 H CB 0.506 30.268 29.762 0.001 0.000 1.472 361 H HN -0.059 nan 8.280 nan 0.000 0.503 362 P HA 0.210 nan 4.420 nan 0.000 0.285 362 P C 0.234 177.431 177.300 -0.172 0.000 1.259 362 P CA -0.656 62.372 63.100 -0.119 0.000 0.794 362 P CB 1.419 33.066 31.700 -0.088 0.000 0.940 363 K N 0.639 120.977 120.400 -0.103 0.000 2.358 363 K HA 0.411 4.731 4.320 0.000 0.000 0.200 363 K C 0.358 176.919 176.600 -0.066 0.000 1.030 363 K CA 0.025 56.260 56.287 -0.087 0.000 1.097 363 K CB 0.741 33.212 32.500 -0.047 0.000 0.862 363 K HN 0.515 nan 8.250 nan 0.000 0.534 364 A N 0.570 123.351 122.820 -0.065 0.000 2.401 364 A HA 0.725 5.045 4.320 0.000 0.000 0.310 364 A C -1.029 176.518 177.584 -0.062 0.000 1.075 364 A CA -0.570 51.431 52.037 -0.060 0.000 0.746 364 A CB 1.897 20.861 19.000 -0.060 0.000 1.277 364 A HN -0.091 nan 8.150 nan 0.000 0.425 365 V N 0.794 120.673 119.914 -0.058 0.000 2.932 365 V HA 0.595 4.715 4.120 0.000 0.000 0.307 365 V C -0.425 175.636 176.094 -0.056 0.000 1.147 365 V CA -0.406 61.861 62.300 -0.055 0.000 0.951 365 V CB 2.715 34.509 31.823 -0.049 0.000 1.031 365 V HN 0.996 nan 8.190 nan 0.000 0.426 366 T N 5.757 120.276 114.554 -0.058 0.000 2.794 366 T HA 0.517 4.867 4.350 0.000 0.000 0.280 366 T C -0.353 174.318 174.700 -0.049 0.000 0.987 366 T CA -0.459 61.602 62.100 -0.066 0.000 0.993 366 T CB 1.022 69.831 68.868 -0.097 0.000 0.939 366 T HN 0.336 nan 8.240 nan 0.000 0.449 367 M N 3.803 123.377 119.600 -0.043 0.000 2.055 367 M HA 0.326 4.806 4.480 0.000 0.000 0.347 367 M C -0.695 175.587 176.300 -0.030 0.000 1.123 367 M CA -1.041 54.242 55.300 -0.028 0.000 1.035 367 M CB 0.701 33.287 32.600 -0.023 0.000 1.484 367 M HN 0.431 nan 8.290 nan 0.000 0.428 368 L N 6.498 127.709 121.223 -0.020 0.000 2.334 368 L HA 0.405 4.745 4.340 0.000 0.000 0.286 368 L C -0.607 176.264 176.870 0.001 0.000 1.108 368 L CA 0.303 55.135 54.840 -0.013 0.000 0.875 368 L CB -0.197 41.867 42.059 0.008 0.000 1.246 368 L HN 0.519 nan 8.230 nan 0.000 0.439 369 I N 5.736 126.303 120.570 -0.005 0.000 2.337 369 I HA 0.317 4.487 4.170 0.000 0.000 0.291 369 I C 0.255 176.375 176.117 0.005 0.000 1.046 369 I CA -0.173 61.127 61.300 -0.000 0.000 1.324 369 I CB 0.214 38.212 38.000 -0.004 0.000 1.409 369 I HN 0.540 nan 8.210 nan 0.000 0.494 370 R N 4.557 125.064 120.500 0.011 0.000 2.778 370 R HA 0.885 5.225 4.340 0.000 0.000 0.277 370 R C -0.222 176.085 176.300 0.012 0.000 0.977 370 R CA -0.983 55.125 56.100 0.014 0.000 0.950 370 R CB 2.344 32.658 30.300 0.023 0.000 1.165 370 R HN 0.770 nan 8.270 nan 0.000 0.474 371 G N -0.757 108.050 108.800 0.011 0.000 2.506 371 G HA2 0.191 4.152 3.960 0.000 0.000 0.292 371 G HA3 0.191 4.152 3.960 0.000 0.000 0.292 371 G C 0.396 175.303 174.900 0.012 0.000 1.425 371 G CA -0.316 44.791 45.100 0.012 0.000 0.788 371 G HN 0.494 nan 8.290 nan 0.000 0.490 372 T N -2.520 112.043 114.554 0.015 0.000 2.857 372 T HA 0.174 4.524 4.350 0.000 0.000 0.266 372 T C 1.359 176.068 174.700 0.016 0.000 1.048 372 T CA 2.017 64.126 62.100 0.015 0.000 1.139 372 T CB -0.400 68.478 68.868 0.016 0.000 0.874 372 T HN 1.349 nan 8.240 nan 0.000 0.455 373 T N -1.358 113.209 114.554 0.021 0.000 2.924 373 T HA 0.575 4.925 4.350 0.000 0.000 0.291 373 T C 0.587 175.289 174.700 0.003 0.000 1.045 373 T CA -0.697 61.417 62.100 0.024 0.000 1.015 373 T CB 2.474 71.374 68.868 0.054 0.000 1.103 373 T HN -0.030 nan 8.240 nan 0.000 0.496 374 E N 0.069 120.244 120.200 -0.043 0.000 2.150 374 E HA -0.098 4.252 4.350 0.000 0.000 0.193 374 E C 1.507 178.016 176.600 -0.152 0.000 0.985 374 E CA 1.586 57.914 56.400 -0.120 0.000 0.814 374 E CB -0.413 29.171 29.700 -0.193 0.000 0.752 374 E HN 0.870 nan 8.360 nan 0.000 0.466 375 H N -1.598 117.475 119.070 0.005 0.000 2.462 375 H HA 0.029 4.585 4.556 0.000 0.000 0.292 375 H C 1.883 177.213 175.328 0.004 0.000 1.049 375 H CA 1.037 57.087 56.048 0.004 0.000 1.334 375 H CB 0.364 30.128 29.762 0.004 0.000 1.404 375 H HN 0.014 nan 8.280 nan 0.000 0.544 376 V N 0.510 120.488 119.914 0.107 0.000 2.307 376 V HA -0.210 3.910 4.120 0.000 0.000 0.245 376 V C 2.228 178.344 176.094 0.037 0.000 1.045 376 V CA 1.589 63.926 62.300 0.061 0.000 1.024 376 V CB -0.357 31.493 31.823 0.045 0.000 0.651 376 V HN 0.393 nan 8.190 nan 0.000 0.449 377 I N -0.042 120.539 120.570 0.020 0.000 2.163 377 I HA -0.293 3.877 4.170 0.000 0.000 0.243 377 I C 2.614 178.734 176.117 0.006 0.000 1.085 377 I CA 1.989 63.292 61.300 0.005 0.000 1.347 377 I CB -0.346 37.648 38.000 -0.010 0.000 1.044 377 I HN 0.390 nan 8.210 nan 0.000 0.408 378 E N 0.452 120.654 120.200 0.004 0.000 2.204 378 E HA -0.288 4.062 4.350 0.000 0.000 0.195 378 E C 1.941 178.556 176.600 0.025 0.000 0.990 378 E CA 1.226 57.630 56.400 0.008 0.000 0.821 378 E CB 0.161 29.865 29.700 0.006 0.000 0.750 378 E HN 0.359 nan 8.360 nan 0.000 0.477 379 E N -0.370 119.852 120.200 0.037 0.000 2.170 379 E HA -0.074 4.276 4.350 0.000 0.000 0.191 379 E C 1.856 178.469 176.600 0.022 0.000 0.981 379 E CA 0.620 57.039 56.400 0.033 0.000 0.830 379 E CB 0.096 29.819 29.700 0.039 0.000 0.775 379 E HN 0.061 nan 8.360 nan 0.000 0.470 380 V N 0.920 120.845 119.914 0.019 0.000 2.515 380 V HA -0.199 3.921 4.120 0.000 0.000 0.250 380 V C 2.309 178.408 176.094 0.009 0.000 1.058 380 V CA 1.613 63.922 62.300 0.014 0.000 1.064 380 V CB -0.766 31.064 31.823 0.012 0.000 0.675 380 V HN 0.444 nan 8.190 nan 0.000 0.461 381 A N -0.076 122.748 122.820 0.007 0.000 1.930 381 A HA -0.192 4.128 4.320 0.000 0.000 0.217 381 A C 2.383 179.968 177.584 0.003 0.000 1.175 381 A CA 1.527 53.565 52.037 0.002 0.000 0.627 381 A CB -0.444 18.555 19.000 -0.002 0.000 0.815 381 A HN 0.479 nan 8.150 nan 0.000 0.443 382 R N -0.711 119.794 120.500 0.008 0.000 2.148 382 R HA 0.007 4.347 4.340 0.000 0.000 0.227 382 R C 2.221 178.526 176.300 0.008 0.000 1.103 382 R CA 0.915 57.020 56.100 0.008 0.000 0.983 382 R CB -0.281 30.026 30.300 0.012 0.000 0.874 382 R HN 0.511 nan 8.270 nan 0.000 0.451 383 A N 0.214 123.039 122.820 0.009 0.000 2.067 383 A HA -0.015 4.305 4.320 0.000 0.000 0.217 383 A C 2.066 179.654 177.584 0.006 0.000 1.156 383 A CA 0.714 52.756 52.037 0.010 0.000 0.683 383 A CB 0.127 19.134 19.000 0.012 0.000 0.808 383 A HN 0.092 nan 8.150 nan 0.000 0.455 384 V N -0.129 119.787 119.914 0.004 0.000 2.725 384 V HA -0.111 4.009 4.120 0.000 0.000 0.247 384 V C 1.875 177.968 176.094 -0.002 0.000 1.058 384 V CA 1.616 63.916 62.300 0.000 0.000 1.080 384 V CB -0.406 31.416 31.823 -0.002 0.000 0.713 384 V HN 0.459 nan 8.190 nan 0.000 0.465 385 D N 0.401 120.800 120.400 -0.002 0.000 2.178 385 D HA -0.154 4.486 4.640 0.000 0.000 0.201 385 D C 1.684 177.983 176.300 -0.001 0.000 0.980 385 D CA 1.387 55.385 54.000 -0.003 0.000 0.842 385 D CB 0.026 40.825 40.800 -0.002 0.000 0.948 385 D HN 0.439 nan 8.370 nan 0.000 0.472 386 D N 0.349 120.750 120.400 0.001 0.000 2.137 386 D HA -0.021 4.619 4.640 0.000 0.000 0.202 386 D C 2.034 178.336 176.300 0.002 0.000 0.970 386 D CA 1.076 55.078 54.000 0.002 0.000 0.837 386 D CB -0.273 40.529 40.800 0.005 0.000 0.981 386 D HN 0.079 nan 8.370 nan 0.000 0.475 387 A N 0.383 123.204 122.820 0.003 0.000 1.933 387 A HA -0.120 4.200 4.320 0.000 0.000 0.218 387 A C 2.354 179.937 177.584 -0.001 0.000 1.175 387 A CA 1.049 53.088 52.037 0.002 0.000 0.628 387 A CB -0.672 18.329 19.000 0.002 0.000 0.814 387 A HN 0.149 nan 8.150 nan 0.000 0.444 388 V N -0.246 119.666 119.914 -0.003 0.000 2.453 388 V HA -0.127 3.993 4.120 0.000 0.000 0.247 388 V C 2.769 178.860 176.094 -0.005 0.000 1.048 388 V CA 1.706 64.003 62.300 -0.006 0.000 1.049 388 V CB -1.228 30.590 31.823 -0.009 0.000 0.672 388 V HN 0.608 nan 8.190 nan 0.000 0.457 389 G N 0.712 109.510 108.800 -0.003 0.000 2.421 389 G HA2 -0.223 3.737 3.960 0.000 0.000 0.216 389 G HA3 -0.223 3.737 3.960 0.000 0.000 0.216 389 G C 1.717 176.616 174.900 -0.001 0.000 1.171 389 G CA 1.603 46.702 45.100 -0.003 0.000 0.775 389 G HN 0.562 nan 8.290 nan 0.000 0.543 390 V N -1.252 118.662 119.914 0.000 0.000 2.548 390 V HA -0.038 4.082 4.120 0.000 0.000 0.249 390 V C 2.674 178.768 176.094 0.001 0.000 1.055 390 V CA 1.410 63.711 62.300 0.001 0.000 1.065 390 V CB -0.590 31.235 31.823 0.003 0.000 0.681 390 V HN 0.138 nan 8.190 nan 0.000 0.462 391 V N 1.952 121.865 119.914 -0.001 0.000 2.453 391 V HA -0.016 4.104 4.120 0.000 0.000 0.247 391 V C 2.889 178.981 176.094 -0.003 0.000 1.048 391 V CA 2.082 64.381 62.300 -0.002 0.000 1.049 391 V CB -1.315 30.506 31.823 -0.003 0.000 0.672 391 V HN 0.620 nan 8.190 nan 0.000 0.457 392 G N -1.307 107.491 108.800 -0.004 0.000 2.408 392 G HA2 -0.240 3.720 3.960 0.000 0.000 0.217 392 G HA3 -0.240 3.720 3.960 0.000 0.000 0.217 392 G C 1.669 176.567 174.900 -0.003 0.000 1.150 392 G CA 1.245 46.342 45.100 -0.005 0.000 0.776 392 G HN 0.538 nan 8.290 nan 0.000 0.542 393 C N 0.571 119.870 119.300 -0.002 0.000 2.432 393 C HA 0.053 4.513 4.460 0.000 0.000 0.280 393 C C 3.139 178.129 174.990 -0.000 0.000 1.353 393 C CA 1.447 60.465 59.018 -0.001 0.000 1.766 393 C CB -0.752 26.988 27.740 0.000 0.000 1.924 393 C HN 0.430 nan 8.230 nan 0.000 0.509 394 T N 0.911 115.465 114.554 0.000 0.000 2.978 394 T HA 0.072 4.422 4.350 0.000 0.000 0.262 394 T C 1.636 176.336 174.700 0.000 0.000 1.063 394 T CA 0.843 62.944 62.100 0.001 0.000 1.140 394 T CB -0.129 68.740 68.868 0.001 0.000 0.886 394 T HN 0.448 nan 8.240 nan 0.000 0.470 395 I N 1.155 121.724 120.570 -0.001 0.000 2.226 395 I HA -0.148 4.022 4.170 0.000 0.000 0.245 395 I C 2.590 178.707 176.117 -0.001 0.000 1.100 395 I CA 1.387 62.687 61.300 -0.001 0.000 1.374 395 I CB -0.267 37.732 38.000 -0.002 0.000 1.057 395 I HN 0.310 nan 8.210 nan 0.000 0.413 396 E N 0.589 120.788 120.200 -0.001 0.000 2.028 396 E HA -0.180 4.170 4.350 0.000 0.000 0.190 396 E C 1.709 178.309 176.600 -0.000 0.000 0.984 396 E CA 1.236 57.636 56.400 -0.001 0.000 0.800 396 E CB -0.033 29.666 29.700 -0.001 0.000 0.758 396 E HN 0.439 nan 8.360 nan 0.000 0.448 397 D N -0.676 119.724 120.400 -0.000 0.000 2.103 397 D HA -0.044 4.596 4.640 0.000 0.000 0.199 397 D C 1.424 177.724 176.300 0.000 0.000 0.978 397 D CA 1.403 55.403 54.000 -0.000 0.000 0.829 397 D CB -0.193 40.607 40.800 0.000 0.000 0.981 397 D HN 0.354 nan 8.370 nan 0.000 0.464 398 G N 0.694 109.494 108.800 0.000 0.000 2.148 398 G HA2 -0.321 3.639 3.960 0.000 0.000 0.254 398 G HA3 -0.321 3.639 3.960 0.000 0.000 0.254 398 G C 0.273 175.174 174.900 0.001 0.000 0.981 398 G CA 0.167 45.268 45.100 0.001 0.000 0.670 398 G HN 0.319 nan 8.290 nan 0.000 0.528 399 R N -0.131 120.370 120.500 0.001 0.000 2.561 399 R HA 0.721 5.061 4.340 0.000 0.000 0.297 399 R C 0.339 176.641 176.300 0.002 0.000 0.969 399 R CA -0.636 55.465 56.100 0.001 0.000 0.879 399 R CB 1.599 31.899 30.300 0.000 0.000 1.178 399 R HN 0.532 nan 8.270 nan 0.000 0.445 400 I N -0.433 120.139 120.570 0.003 0.000 3.002 400 I HA 0.792 4.962 4.170 0.000 0.000 0.310 400 I C -0.470 175.651 176.117 0.007 0.000 1.087 400 I CA -1.182 60.121 61.300 0.005 0.000 1.017 400 I CB 2.184 40.188 38.000 0.006 0.000 1.226 400 I HN 0.378 nan 8.210 nan 0.000 0.443 401 V N 0.363 120.283 119.914 0.009 0.000 3.126 401 V HA 0.732 4.852 4.120 0.000 0.000 0.314 401 V C 0.139 176.243 176.094 0.017 0.000 1.138 401 V CA -0.526 61.782 62.300 0.013 0.000 1.034 401 V CB 1.238 33.070 31.823 0.014 0.000 1.075 401 V HN 0.998 nan 8.190 nan 0.000 0.442 402 S N 0.873 116.586 115.700 0.022 0.000 2.584 402 S HA 0.777 5.247 4.470 0.000 0.000 0.273 402 S C 0.372 174.989 174.600 0.029 0.000 1.311 402 S CA 0.093 58.309 58.200 0.026 0.000 1.034 402 S CB 1.025 64.244 63.200 0.032 0.000 0.939 402 S HN 1.701 nan 8.310 nan 0.000 0.513 403 G N -0.070 108.746 108.800 0.028 0.000 2.641 403 G HA2 0.563 4.523 3.960 0.000 0.000 0.239 403 G HA3 0.563 4.523 3.960 0.000 0.000 0.239 403 G C 0.807 175.722 174.900 0.024 0.000 1.402 403 G CA -0.644 44.470 45.100 0.023 0.000 1.046 403 G HN 2.020 nan 8.290 nan 0.000 0.565 404 G N -1.946 106.862 108.800 0.014 0.000 2.221 404 G HA2 0.260 4.220 3.960 0.000 0.000 0.265 404 G HA3 0.260 4.220 3.960 0.000 0.000 0.265 404 G C 1.394 176.292 174.900 -0.004 0.000 1.041 404 G CA 1.055 46.157 45.100 0.004 0.000 0.807 404 G HN 2.472 nan 8.290 nan 0.000 0.502 405 G N -1.438 107.357 108.800 -0.008 0.000 2.179 405 G HA2 -0.122 3.839 3.960 0.000 0.000 0.257 405 G HA3 -0.122 3.839 3.960 0.000 0.000 0.257 405 G C 1.344 176.235 174.900 -0.016 0.000 1.010 405 G CA 1.658 46.745 45.100 -0.021 0.000 0.736 405 G HN 1.845 nan 8.290 nan 0.000 0.513 406 S N -0.494 115.220 115.700 0.023 0.000 2.362 406 S HA -0.052 4.418 4.470 0.000 0.000 0.221 406 S C 2.649 177.301 174.600 0.087 0.000 1.032 406 S CA 2.282 60.530 58.200 0.080 0.000 0.973 406 S CB -0.312 62.954 63.200 0.110 0.000 0.849 406 S HN 1.226 nan 8.310 nan 0.000 0.465 407 T N -1.097 113.491 114.554 0.058 0.000 3.160 407 T HA 0.175 4.525 4.350 0.000 0.000 0.257 407 T C 1.223 175.932 174.700 0.015 0.000 1.147 407 T CA 0.773 62.904 62.100 0.052 0.000 1.064 407 T CB -0.196 68.694 68.868 0.037 0.000 0.949 407 T HN 0.307 nan 8.240 nan 0.000 0.526 408 E N 0.846 121.036 120.200 -0.016 0.000 2.086 408 E HA 0.104 4.454 4.350 0.000 0.000 0.190 408 E C 2.265 178.822 176.600 -0.073 0.000 0.975 408 E CA 0.395 56.771 56.400 -0.039 0.000 0.813 408 E CB -0.318 29.351 29.700 -0.051 0.000 0.768 408 E HN 0.305 nan 8.360 nan 0.000 0.457 409 V N 1.086 120.915 119.914 -0.142 0.000 2.295 409 V HA -0.253 3.867 4.120 0.000 0.000 0.246 409 V C 2.324 178.272 176.094 -0.244 0.000 1.049 409 V CA 2.068 64.209 62.300 -0.265 0.000 1.024 409 V CB -0.404 31.115 31.823 -0.507 0.000 0.648 409 V HN 0.235 nan 8.190 nan 0.000 0.447 410 E N 0.332 120.437 120.200 -0.159 0.000 2.085 410 E HA -0.247 4.103 4.350 0.000 0.000 0.194 410 E C 1.947 178.578 176.600 0.051 0.000 0.994 410 E CA 1.521 57.981 56.400 0.100 0.000 0.801 410 E CB -0.437 29.414 29.700 0.253 0.000 0.743 410 E HN 0.403 nan 8.360 nan 0.000 0.453 411 L N 0.045 121.283 121.223 0.025 0.000 2.141 411 L HA -0.049 4.292 4.340 0.000 0.000 0.209 411 L C 2.374 179.261 176.870 0.029 0.000 1.094 411 L CA 1.852 56.707 54.840 0.025 0.000 0.763 411 L CB -0.852 41.221 42.059 0.024 0.000 0.908 411 L HN 0.191 nan 8.230 nan 0.000 0.437 412 S N -0.445 115.259 115.700 0.006 0.000 2.345 412 S HA -0.238 4.232 4.470 0.000 0.000 0.220 412 S C 2.131 176.747 174.600 0.027 0.000 1.031 412 S CA 1.686 59.893 58.200 0.013 0.000 0.996 412 S CB -0.310 62.873 63.200 -0.027 0.000 0.882 412 S HN 0.621 nan 8.310 nan 0.000 0.445 413 M N -0.167 119.441 119.600 0.013 0.000 2.296 413 M HA 0.097 4.577 4.480 0.000 0.000 0.265 413 M C 1.678 178.011 176.300 0.054 0.000 1.064 413 M CA 1.400 56.719 55.300 0.031 0.000 1.109 413 M CB -0.222 32.396 32.600 0.029 0.000 1.396 413 M HN -0.005 nan 8.290 nan 0.000 0.430 414 K N 1.096 121.529 120.400 0.055 0.000 2.228 414 K HA 0.131 4.451 4.320 0.000 0.000 0.202 414 K C 1.976 178.627 176.600 0.086 0.000 1.051 414 K CA 0.961 57.284 56.287 0.061 0.000 0.960 414 K CB -0.225 32.299 32.500 0.039 0.000 0.743 414 K HN 0.491 nan 8.250 nan 0.000 0.458 415 L N 0.215 121.490 121.223 0.087 0.000 2.240 415 L HA -0.049 4.291 4.340 0.000 0.000 0.211 415 L C 2.470 179.448 176.870 0.180 0.000 1.106 415 L CA 0.742 55.667 54.840 0.142 0.000 0.793 415 L CB -0.134 42.001 42.059 0.127 0.000 0.927 415 L HN 0.091 nan 8.230 nan 0.000 0.446 416 R N 0.242 120.812 120.500 0.117 0.000 2.119 416 R HA -0.130 4.211 4.340 0.000 0.000 0.222 416 R C 1.970 178.316 176.300 0.078 0.000 1.088 416 R CA 1.339 57.492 56.100 0.089 0.000 0.984 416 R CB 0.036 30.372 30.300 0.060 0.000 0.884 416 R HN 0.536 nan 8.270 nan 0.000 0.447 417 E N -0.801 119.453 120.200 0.090 0.000 2.442 417 E HA -0.158 4.192 4.350 0.000 0.000 0.195 417 E C 1.387 178.046 176.600 0.099 0.000 1.030 417 E CA 0.434 56.879 56.400 0.074 0.000 0.869 417 E CB -0.190 29.550 29.700 0.066 0.000 0.857 417 E HN 0.373 nan 8.360 nan 0.000 0.505 418 Y N 1.660 121.965 120.300 0.008 0.000 2.420 418 Y HA 0.216 4.766 4.550 0.000 0.000 0.292 418 Y C 2.305 178.206 175.900 0.002 0.000 1.119 418 Y CA 0.860 58.961 58.100 0.001 0.000 1.229 418 Y CB -0.112 38.344 38.460 -0.006 0.000 1.026 418 Y HN 0.115 nan 8.280 nan 0.000 0.554 419 A N 0.469 123.245 122.820 -0.074 0.000 1.968 419 A HA -0.126 4.194 4.320 0.000 0.000 0.217 419 A C 1.989 179.491 177.584 -0.136 0.000 1.169 419 A CA 1.542 53.493 52.037 -0.143 0.000 0.638 419 A CB -0.566 18.434 19.000 -0.001 0.000 0.812 419 A HN 0.608 nan 8.150 nan 0.000 0.446 420 E N -0.468 119.686 120.200 -0.076 0.000 2.204 420 E HA -0.110 4.241 4.350 0.000 0.000 0.195 420 E C 1.582 178.130 176.600 -0.087 0.000 0.990 420 E CA 0.664 57.029 56.400 -0.059 0.000 0.821 420 E CB -0.246 29.439 29.700 -0.024 0.000 0.750 420 E HN 0.586 nan 8.360 nan 0.000 0.477 421 G N 0.762 109.478 108.800 -0.140 0.000 3.262 421 G HA2 0.181 4.141 3.960 0.000 0.000 0.228 421 G HA3 0.181 4.141 3.960 0.000 0.000 0.228 421 G C 0.269 175.051 174.900 -0.196 0.000 1.197 421 G CA -0.220 44.793 45.100 -0.145 0.000 0.819 421 G HN 0.019 nan 8.290 nan 0.000 0.531 422 I N 1.729 122.180 120.570 -0.199 0.000 2.418 422 I HA 0.248 4.418 4.170 0.000 0.000 0.287 422 I C -0.127 175.930 176.117 -0.100 0.000 1.008 422 I CA -0.727 60.466 61.300 -0.179 0.000 1.104 422 I CB 2.182 40.043 38.000 -0.233 0.000 1.264 422 I HN 0.059 nan 8.210 nan 0.000 0.438 423 S N 4.272 119.929 115.700 -0.073 0.000 2.578 423 S HA 0.945 5.415 4.470 0.000 0.000 0.283 423 S C 0.145 174.722 174.600 -0.038 0.000 1.195 423 S CA -0.174 57.997 58.200 -0.047 0.000 1.050 423 S CB 1.875 65.053 63.200 -0.037 0.000 1.012 423 S HN 1.213 nan 8.310 nan 0.000 0.511 424 G N 1.325 110.109 108.800 -0.027 0.000 2.462 424 G HA2 -0.098 3.863 3.960 0.000 0.000 0.685 424 G HA3 -0.098 3.863 3.960 0.000 0.000 0.685 424 G C -0.129 174.763 174.900 -0.014 0.000 1.295 424 G CA -0.538 44.550 45.100 -0.020 0.000 0.941 424 G HN 0.701 nan 8.290 nan 0.000 0.554 425 R N 0.288 120.784 120.500 -0.007 0.000 2.275 425 R HA 0.101 4.441 4.340 0.000 0.000 0.199 425 R C 2.494 178.799 176.300 0.007 0.000 0.989 425 R CA 1.406 57.507 56.100 0.002 0.000 1.016 425 R CB -0.138 30.166 30.300 0.005 0.000 0.918 425 R HN 0.754 nan 8.270 nan 0.000 0.473 426 E N 0.204 120.406 120.200 0.002 0.000 2.265 426 E HA -0.298 4.052 4.350 0.000 0.000 0.196 426 E C 1.690 178.304 176.600 0.023 0.000 0.996 426 E CA 0.892 57.300 56.400 0.014 0.000 0.832 426 E CB -0.220 29.483 29.700 0.006 0.000 0.756 426 E HN 0.369 nan 8.360 nan 0.000 0.491 427 Q N 1.318 121.119 119.800 0.002 0.000 2.135 427 Q HA -0.173 4.167 4.340 0.000 0.000 0.204 427 Q C 2.193 178.213 176.000 0.034 0.000 0.981 427 Q CA 1.303 57.104 55.803 -0.003 0.000 0.856 427 Q CB -0.111 28.613 28.738 -0.023 0.000 0.902 427 Q HN 0.450 nan 8.270 nan 0.000 0.425 428 L N -0.076 121.171 121.223 0.040 0.000 2.275 428 L HA -0.082 4.259 4.340 0.000 0.000 0.215 428 L C 2.375 179.310 176.870 0.109 0.000 1.119 428 L CA 0.726 55.602 54.840 0.059 0.000 0.790 428 L CB -0.382 41.702 42.059 0.041 0.000 0.919 428 L HN 0.260 nan 8.230 nan 0.000 0.443 429 A N -0.666 122.232 122.820 0.130 0.000 1.984 429 A HA -0.002 4.318 4.320 0.000 0.000 0.214 429 A C 2.242 180.049 177.584 0.372 0.000 1.173 429 A CA 0.645 52.828 52.037 0.244 0.000 0.673 429 A CB -0.293 18.798 19.000 0.152 0.000 0.830 429 A HN 0.148 nan 8.150 nan 0.000 0.453 430 V N 0.235 120.283 119.914 0.222 0.000 2.379 430 V HA -0.206 3.914 4.120 0.000 0.000 0.245 430 V C 2.531 178.743 176.094 0.196 0.000 1.044 430 V CA 1.972 64.388 62.300 0.193 0.000 1.036 430 V CB -0.807 31.087 31.823 0.119 0.000 0.664 430 V HN 0.503 nan 8.190 nan 0.000 0.453 431 R N 0.433 121.021 120.500 0.147 0.000 2.120 431 R HA -0.085 4.255 4.340 0.000 0.000 0.234 431 R C 2.423 178.806 176.300 0.139 0.000 1.123 431 R CA 1.385 57.557 56.100 0.121 0.000 0.975 431 R CB -0.554 29.794 30.300 0.080 0.000 0.866 431 R HN 0.532 nan 8.270 nan 0.000 0.446 432 A N 0.685 123.617 122.820 0.187 0.000 1.898 432 A HA -0.174 4.146 4.320 0.000 0.000 0.216 432 A C 1.955 179.623 177.584 0.141 0.000 1.181 432 A CA 0.993 53.145 52.037 0.191 0.000 0.620 432 A CB -0.588 18.593 19.000 0.301 0.000 0.819 432 A HN 0.339 nan 8.150 nan 0.000 0.442 433 F N 0.707 120.653 119.950 -0.008 0.000 2.134 433 F HA -0.067 4.460 4.527 0.000 0.000 0.299 433 F C 2.564 178.299 175.800 -0.109 0.000 1.097 433 F CA 1.254 59.125 58.000 -0.214 0.000 1.264 433 F CB -0.158 38.680 39.000 -0.269 0.000 1.001 433 F HN 0.263 nan 8.300 nan 0.000 0.479 434 A N -0.118 122.838 122.820 0.227 0.000 1.902 434 A HA -0.206 4.115 4.320 0.000 0.000 0.217 434 A C 1.849 179.447 177.584 0.023 0.000 1.181 434 A CA 2.029 54.148 52.037 0.136 0.000 0.623 434 A CB -0.936 18.140 19.000 0.127 0.000 0.818 434 A HN 0.402 nan 8.150 nan 0.000 0.443 435 D N -0.075 120.333 120.400 0.015 0.000 2.264 435 D HA 0.052 4.693 4.640 0.000 0.000 0.208 435 D C 2.044 178.305 176.300 -0.064 0.000 0.966 435 D CA 1.165 55.155 54.000 -0.016 0.000 0.864 435 D CB -0.262 40.541 40.800 0.005 0.000 0.933 435 D HN 0.444 nan 8.370 nan 0.000 0.499 436 A N 0.406 123.153 122.820 -0.122 0.000 1.929 436 A HA -0.047 4.273 4.320 0.000 0.000 0.216 436 A C 2.243 179.710 177.584 -0.196 0.000 1.176 436 A CA 0.534 52.459 52.037 -0.187 0.000 0.628 436 A CB -0.596 18.211 19.000 -0.321 0.000 0.816 436 A HN 0.199 nan 8.150 nan 0.000 0.444 437 L N -0.451 120.652 121.223 -0.201 0.000 2.191 437 L HA -0.162 4.179 4.340 0.000 0.000 0.212 437 L C 1.987 178.796 176.870 -0.102 0.000 1.103 437 L CA 1.108 55.857 54.840 -0.152 0.000 0.769 437 L CB -0.453 41.547 42.059 -0.098 0.000 0.908 437 L HN 0.448 nan 8.230 nan 0.000 0.438 438 E N -0.596 119.552 120.200 -0.087 0.000 2.526 438 E HA -0.131 4.219 4.350 0.000 0.000 0.198 438 E C 1.907 178.465 176.600 -0.070 0.000 1.091 438 E CA 0.071 56.426 56.400 -0.074 0.000 0.880 438 E CB 0.176 29.839 29.700 -0.062 0.000 0.873 438 E HN 0.269 nan 8.360 nan 0.000 0.527 439 V N 0.663 120.530 119.914 -0.079 0.000 2.871 439 V HA -0.152 3.969 4.120 0.000 0.000 0.256 439 V C 1.599 177.655 176.094 -0.064 0.000 1.082 439 V CA 0.796 63.054 62.300 -0.070 0.000 1.105 439 V CB -0.080 31.696 31.823 -0.078 0.000 0.713 439 V HN 0.264 nan 8.190 nan 0.000 0.473 440 I N 1.072 121.603 120.570 -0.066 0.000 2.277 440 I HA 0.005 4.175 4.170 0.000 0.000 0.243 440 I C 0.045 176.130 176.117 -0.053 0.000 1.094 440 I CA 1.217 62.483 61.300 -0.056 0.000 1.393 440 I CB -2.700 35.269 38.000 -0.053 0.000 1.078 440 I HN 0.342 nan 8.210 nan 0.000 0.417 441 P HA -0.118 nan 4.420 nan 0.000 0.217 441 P C 1.874 179.143 177.300 -0.051 0.000 1.150 441 P CA 1.421 64.489 63.100 -0.053 0.000 0.832 441 P CB -0.079 31.584 31.700 -0.062 0.000 0.787 442 R N -0.218 120.252 120.500 -0.051 0.000 2.062 442 R HA -0.078 4.262 4.340 0.000 0.000 0.229 442 R C 2.108 178.381 176.300 -0.045 0.000 1.128 442 R CA 2.141 58.213 56.100 -0.046 0.000 0.960 442 R CB -0.881 29.392 30.300 -0.045 0.000 0.855 442 R HN 0.221 nan 8.270 nan 0.000 0.432 443 T N -1.373 113.152 114.554 -0.047 0.000 3.072 443 T HA -0.000 4.350 4.350 0.000 0.000 0.266 443 T C 1.842 176.512 174.700 -0.050 0.000 1.127 443 T CA 0.590 62.663 62.100 -0.046 0.000 1.107 443 T CB -0.107 68.734 68.868 -0.044 0.000 0.910 443 T HN 0.157 nan 8.240 nan 0.000 0.513 444 L N 0.358 121.548 121.223 -0.054 0.000 2.109 444 L HA 0.157 4.497 4.340 0.000 0.000 0.207 444 L C 3.216 180.043 176.870 -0.073 0.000 1.086 444 L CA 1.095 55.895 54.840 -0.066 0.000 0.760 444 L CB -0.585 41.435 42.059 -0.066 0.000 0.910 444 L HN 0.392 nan 8.230 nan 0.000 0.437 445 A N -0.150 122.633 122.820 -0.061 0.000 1.898 445 A HA -0.149 4.171 4.320 0.000 0.000 0.214 445 A C 2.111 179.665 177.584 -0.051 0.000 1.183 445 A CA 1.026 53.029 52.037 -0.057 0.000 0.622 445 A CB -0.295 18.677 19.000 -0.046 0.000 0.824 445 A HN 0.369 nan 8.150 nan 0.000 0.444 446 E N 0.391 120.564 120.200 -0.045 0.000 2.049 446 E HA -0.210 4.140 4.350 0.000 0.000 0.198 446 E C 1.576 178.151 176.600 -0.041 0.000 1.007 446 E CA 1.424 57.801 56.400 -0.039 0.000 0.809 446 E CB -0.238 29.441 29.700 -0.036 0.000 0.749 446 E HN 0.534 nan 8.360 nan 0.000 0.450 447 N N 0.339 119.010 118.700 -0.048 0.000 2.396 447 N HA -0.070 4.670 4.740 0.000 0.000 0.180 447 N C 1.508 176.984 175.510 -0.057 0.000 1.028 447 N CA 0.990 54.011 53.050 -0.048 0.000 0.893 447 N CB -0.100 38.358 38.487 -0.049 0.000 0.967 447 N HN 0.121 nan 8.380 nan 0.000 0.440 448 A N 0.047 122.824 122.820 -0.073 0.000 2.014 448 A HA 0.286 4.606 4.320 0.000 0.000 0.218 448 A C 1.784 179.333 177.584 -0.059 0.000 1.163 448 A CA 1.570 53.555 52.037 -0.088 0.000 0.652 448 A CB -0.322 18.609 19.000 -0.116 0.000 0.808 448 A HN 0.353 nan 8.150 nan 0.000 0.449 449 G N -2.310 106.463 108.800 -0.045 0.000 2.232 449 G HA2 -0.175 3.785 3.960 0.000 0.000 0.226 449 G HA3 -0.175 3.785 3.960 0.000 0.000 0.226 449 G C 0.160 175.042 174.900 -0.029 0.000 0.996 449 G CA 0.165 45.246 45.100 -0.032 0.000 0.626 449 G HN 0.385 nan 8.290 nan 0.000 0.509 450 L N 1.256 122.458 121.223 -0.036 0.000 2.475 450 L HA 0.507 4.847 4.340 0.000 0.000 0.250 450 L C 0.724 177.578 176.870 -0.026 0.000 1.224 450 L CA -0.036 54.786 54.840 -0.030 0.000 0.821 450 L CB 0.332 42.370 42.059 -0.035 0.000 1.141 450 L HN 0.157 nan 8.230 nan 0.000 0.494 451 D N -0.072 120.315 120.400 -0.021 0.000 2.336 451 D HA 0.270 4.911 4.640 0.000 0.000 0.249 451 D C 0.579 176.866 176.300 -0.022 0.000 1.213 451 D CA 0.247 54.235 54.000 -0.019 0.000 0.870 451 D CB 1.474 42.266 40.800 -0.014 0.000 1.076 451 D HN 0.554 nan 8.370 nan 0.000 0.483 452 A N 4.285 127.091 122.820 -0.024 0.000 1.969 452 A HA -0.100 4.220 4.320 0.000 0.000 0.218 452 A C 2.107 179.676 177.584 -0.025 0.000 1.169 452 A CA 0.864 52.884 52.037 -0.028 0.000 0.635 452 A CB -0.382 18.600 19.000 -0.030 0.000 0.810 452 A HN 0.737 nan 8.150 nan 0.000 0.445 453 I N -0.910 119.648 120.570 -0.021 0.000 2.333 453 I HA -0.145 4.025 4.170 0.000 0.000 0.246 453 I C 2.428 178.536 176.117 -0.015 0.000 1.106 453 I CA 1.575 62.864 61.300 -0.018 0.000 1.411 453 I CB -0.369 37.622 38.000 -0.015 0.000 1.082 453 I HN 0.327 nan 8.210 nan 0.000 0.420 454 E N 1.953 122.145 120.200 -0.013 0.000 2.047 454 E HA -0.166 4.184 4.350 0.000 0.000 0.191 454 E C 2.120 178.714 176.600 -0.010 0.000 0.987 454 E CA 1.533 57.927 56.400 -0.010 0.000 0.799 454 E CB -0.220 29.474 29.700 -0.008 0.000 0.752 454 E HN 0.435 nan 8.360 nan 0.000 0.449 455 I N 0.018 120.580 120.570 -0.014 0.000 2.226 455 I HA -0.211 3.959 4.170 0.000 0.000 0.245 455 I C 2.160 178.268 176.117 -0.016 0.000 1.100 455 I CA 0.559 61.851 61.300 -0.014 0.000 1.374 455 I CB -0.207 37.781 38.000 -0.020 0.000 1.057 455 I HN 0.211 nan 8.210 nan 0.000 0.413 456 L N 0.241 121.450 121.223 -0.023 0.000 2.261 456 L HA -0.150 4.190 4.340 0.000 0.000 0.216 456 L C 2.089 178.943 176.870 -0.026 0.000 1.114 456 L CA 1.530 56.351 54.840 -0.031 0.000 0.777 456 L CB -0.263 41.776 42.059 -0.034 0.000 0.910 456 L HN -0.005 nan 8.230 nan 0.000 0.440 457 V N -1.446 118.460 119.914 -0.014 0.000 2.599 457 V HA -0.122 3.998 4.120 0.000 0.000 0.245 457 V C 2.331 178.426 176.094 0.003 0.000 1.046 457 V CA 1.085 63.380 62.300 -0.007 0.000 1.065 457 V CB -0.329 31.491 31.823 -0.004 0.000 0.703 457 V HN 0.371 nan 8.190 nan 0.000 0.464 458 K N -0.142 120.261 120.400 0.005 0.000 2.155 458 K HA -0.052 4.268 4.320 0.000 0.000 0.203 458 K C 1.980 178.600 176.600 0.033 0.000 1.052 458 K CA 1.012 57.309 56.287 0.017 0.000 0.948 458 K CB -0.091 32.417 32.500 0.014 0.000 0.728 458 K HN 0.316 nan 8.250 nan 0.000 0.448 459 V N 0.906 120.834 119.914 0.024 0.000 2.649 459 V HA -0.107 4.013 4.120 0.000 0.000 0.248 459 V C 2.259 178.381 176.094 0.046 0.000 1.054 459 V CA 1.187 63.517 62.300 0.050 0.000 1.073 459 V CB -0.327 31.495 31.823 -0.001 0.000 0.699 459 V HN 0.246 nan 8.190 nan 0.000 0.463 460 R N 0.243 120.736 120.500 -0.011 0.000 2.090 460 R HA -0.057 4.283 4.340 0.000 0.000 0.228 460 R C 2.183 178.512 176.300 0.048 0.000 1.110 460 R CA 1.407 57.492 56.100 -0.024 0.000 0.973 460 R CB -0.260 30.021 30.300 -0.031 0.000 0.869 460 R HN 0.488 nan 8.270 nan 0.000 0.440 461 A N -0.040 122.809 122.820 0.048 0.000 2.067 461 A HA 0.098 4.419 4.320 0.000 0.000 0.217 461 A C 1.852 179.478 177.584 0.069 0.000 1.156 461 A CA 1.100 53.167 52.037 0.050 0.000 0.683 461 A CB -0.067 18.952 19.000 0.031 0.000 0.808 461 A HN 0.407 nan 8.150 nan 0.000 0.455 462 A N -2.180 120.699 122.820 0.099 0.000 2.307 462 A HA 0.156 4.476 4.320 0.000 0.000 0.218 462 A C 1.522 179.163 177.584 0.094 0.000 1.228 462 A CA 0.367 52.456 52.037 0.087 0.000 0.857 462 A CB -0.563 18.487 19.000 0.083 0.000 0.897 462 A HN 0.653 nan 8.150 nan 0.000 0.495 463 H N -1.165 117.907 119.070 0.005 0.000 2.855 463 H HA 0.334 4.890 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 0.468 56.520 56.048 0.006 0.000 1.213 463 H CB 0.493 30.259 29.762 0.006 0.000 1.451 463 H HN 0.508 nan 8.280 nan 0.000 0.484 464 A N 1.496 124.386 122.820 0.117 0.000 2.445 464 A HA 0.319 4.639 4.320 0.000 0.000 0.242 464 A C 1.208 178.814 177.584 0.037 0.000 1.075 464 A CA 0.788 52.865 52.037 0.068 0.000 0.777 464 A CB 0.261 19.293 19.000 0.052 0.000 1.013 464 A HN 0.679 nan 8.150 nan 0.000 0.493 465 S N 1.662 117.381 115.700 0.030 0.000 4.158 465 S HA -0.271 4.199 4.470 0.000 0.000 0.613 465 S C 0.932 175.538 174.600 0.010 0.000 1.866 465 S CA 1.305 59.515 58.200 0.017 0.000 4.250 465 S CB -1.632 61.575 63.200 0.012 0.000 0.202 465 S HN 0.890 nan 8.310 nan 0.000 0.455 466 N N 2.569 121.268 118.700 -0.003 0.000 3.039 466 N HA 0.393 5.133 4.740 0.000 0.000 0.231 466 N C 0.969 176.456 175.510 -0.038 0.000 1.053 466 N CA 0.834 53.876 53.050 -0.014 0.000 1.191 466 N CB -0.955 37.525 38.487 -0.013 0.000 1.597 466 N HN 0.991 nan 8.380 nan 0.000 0.585 467 G N 0.663 109.434 108.800 -0.047 0.000 2.606 467 G HA2 0.137 4.097 3.960 0.000 0.000 0.252 467 G HA3 0.137 4.097 3.960 0.000 0.000 0.252 467 G C 0.526 175.348 174.900 -0.130 0.000 1.206 467 G CA -0.155 44.895 45.100 -0.083 0.000 0.861 467 G HN 0.182 nan 8.290 nan 0.000 0.561 468 N N -0.230 118.321 118.700 -0.247 0.000 2.436 468 N HA -0.004 4.736 4.740 0.000 0.000 0.178 468 N C 1.642 176.991 175.510 -0.268 0.000 1.026 468 N CA 0.787 53.704 53.050 -0.221 0.000 0.880 468 N CB 0.055 38.431 38.487 -0.185 0.000 1.061 468 N HN 0.815 nan 8.380 nan 0.000 0.434 469 K N -0.863 119.213 120.400 -0.542 0.000 3.459 469 K HA -0.198 4.122 4.320 0.000 0.000 0.291 469 K C 0.250 176.758 176.600 -0.153 0.000 0.863 469 K CA 1.304 57.394 56.287 -0.328 0.000 1.269 469 K CB -1.723 30.715 32.500 -0.104 0.000 1.300 469 K HN 0.300 nan 8.250 nan 0.000 0.507 470 c N 2.129 120.641 118.600 -0.147 0.000 2.778 470 c HA 0.681 5.251 4.570 0.000 0.000 0.294 470 c C 0.678 174.762 174.090 -0.010 0.000 1.331 470 c CA 0.281 56.589 56.329 -0.036 0.000 1.741 470 c CB -0.878 41.616 42.510 -0.027 0.000 2.106 470 c HN 0.449 nan 8.230 nan 0.000 0.603 471 A N 0.494 123.292 122.820 -0.036 0.000 2.274 471 A HA 0.762 5.082 4.320 0.000 0.000 0.309 471 A C 0.355 178.060 177.584 0.202 0.000 1.226 471 A CA 0.416 52.486 52.037 0.054 0.000 0.853 471 A CB 0.329 19.326 19.000 -0.006 0.000 1.146 471 A HN 0.756 nan 8.150 nan 0.000 0.518 472 G N 0.291 109.157 108.800 0.111 0.000 2.663 472 G HA2 0.523 4.483 3.960 0.000 0.000 0.299 472 G HA3 0.523 4.483 3.960 0.000 0.000 0.299 472 G C -1.522 173.404 174.900 0.043 0.000 1.372 472 G CA -0.724 44.426 45.100 0.085 0.000 0.781 472 G HN 1.032 nan 8.290 nan 0.000 0.491 473 L N 1.000 122.232 121.223 0.015 0.000 2.319 473 L HA 0.536 4.876 4.340 0.000 0.000 0.280 473 L C -0.228 176.634 176.870 -0.012 0.000 1.099 473 L CA -0.892 53.946 54.840 -0.004 0.000 0.828 473 L CB 0.821 42.864 42.059 -0.027 0.000 1.150 473 L HN 0.436 nan 8.230 nan 0.000 0.442 474 N N 3.506 122.204 118.700 -0.003 0.000 2.485 474 N HA 0.129 4.869 4.740 0.000 0.000 0.243 474 N C 0.900 176.372 175.510 -0.063 0.000 0.987 474 N CA -0.158 52.895 53.050 0.004 0.000 0.940 474 N CB 1.214 39.743 38.487 0.069 0.000 1.122 474 N HN 0.549 nan 8.380 nan 0.000 0.509 475 V N 1.710 121.490 119.914 -0.223 0.000 2.867 475 V HA -0.070 4.050 4.120 0.000 0.000 0.260 475 V C 1.134 176.992 176.094 -0.393 0.000 1.099 475 V CA 1.335 63.418 62.300 -0.362 0.000 1.122 475 V CB -1.095 30.412 31.823 -0.527 0.000 0.708 475 V HN 0.369 nan 8.190 nan 0.000 0.490 476 F N 1.172 121.123 119.950 0.001 0.000 2.317 476 F HA 0.129 4.656 4.527 0.000 0.000 0.290 476 F C 2.605 178.406 175.800 0.001 0.000 1.075 476 F CA 1.360 59.361 58.000 0.001 0.000 1.380 476 F CB -1.224 37.776 39.000 0.001 0.000 1.093 476 F HN 0.021 nan 8.300 nan 0.000 0.524 477 T N -0.975 113.681 114.554 0.171 0.000 2.812 477 T HA 0.171 4.521 4.350 0.000 0.000 0.264 477 T C 2.091 176.821 174.700 0.050 0.000 1.042 477 T CA 1.581 63.739 62.100 0.096 0.000 1.140 477 T CB -0.731 68.183 68.868 0.077 0.000 0.870 477 T HN 0.508 nan 8.240 nan 0.000 0.445 478 G N 1.283 110.098 108.800 0.024 0.000 2.399 478 G HA2 -0.092 3.868 3.960 0.000 0.000 0.216 478 G HA3 -0.092 3.868 3.960 0.000 0.000 0.216 478 G C 0.344 175.246 174.900 0.003 0.000 1.096 478 G CA 0.041 45.143 45.100 0.003 0.000 0.650 478 G HN 0.934 nan 8.290 nan 0.000 0.512 479 A N -0.017 122.811 122.820 0.014 0.000 2.252 479 A HA 0.800 5.120 4.320 0.000 0.000 0.305 479 A C 0.537 178.132 177.584 0.017 0.000 1.097 479 A CA 0.435 52.480 52.037 0.014 0.000 0.849 479 A CB 1.443 20.453 19.000 0.016 0.000 1.142 479 A HN 1.703 nan 8.150 nan 0.000 0.499 480 V N 0.588 120.514 119.914 0.019 0.000 2.455 480 V HA 0.355 4.475 4.120 0.000 0.000 0.273 480 V C 0.057 176.168 176.094 0.029 0.000 1.045 480 V CA 0.303 62.619 62.300 0.027 0.000 0.976 480 V CB 0.207 32.050 31.823 0.034 0.000 0.993 480 V HN 0.947 nan 8.190 nan 0.000 0.475 481 E N 3.978 124.198 120.200 0.032 0.000 2.339 481 E HA 0.346 4.696 4.350 0.000 0.000 0.262 481 E C -1.093 175.524 176.600 0.027 0.000 0.934 481 E CA -0.877 55.540 56.400 0.029 0.000 0.802 481 E CB 1.521 31.243 29.700 0.036 0.000 1.275 481 E HN 0.792 nan 8.360 nan 0.000 0.427 482 D N 2.442 122.853 120.400 0.018 0.000 2.336 482 D HA 0.049 4.689 4.640 0.000 0.000 0.249 482 D C 0.848 177.160 176.300 0.019 0.000 1.213 482 D CA -0.018 53.988 54.000 0.010 0.000 0.870 482 D CB 0.783 41.583 40.800 -0.001 0.000 1.076 482 D HN 0.414 nan 8.370 nan 0.000 0.483 483 M N 2.477 122.092 119.600 0.024 0.000 2.319 483 M HA -0.102 4.378 4.480 0.000 0.000 0.265 483 M C 2.152 178.466 176.300 0.024 0.000 1.068 483 M CA 0.452 55.771 55.300 0.031 0.000 1.118 483 M CB -0.550 32.072 32.600 0.038 0.000 1.395 483 M HN 0.510 nan 8.290 nan 0.000 0.435 484 c N 0.698 119.306 118.600 0.014 0.000 2.466 484 c HA -0.102 4.468 4.570 0.000 0.000 0.278 484 c C 2.480 176.575 174.090 0.009 0.000 1.288 484 c CA 0.736 57.071 56.329 0.010 0.000 1.722 484 c CB -0.914 41.598 42.510 0.003 0.000 2.017 484 c HN 0.563 nan 8.230 nan 0.000 0.488 485 E N 0.898 121.102 120.200 0.008 0.000 2.274 485 E HA -0.108 4.242 4.350 0.000 0.000 0.194 485 E C 1.544 178.151 176.600 0.011 0.000 0.996 485 E CA 0.632 57.036 56.400 0.007 0.000 0.840 485 E CB -0.120 29.583 29.700 0.005 0.000 0.772 485 E HN 0.587 nan 8.360 nan 0.000 0.491 486 N N -0.162 118.549 118.700 0.018 0.000 2.250 486 N HA -0.028 4.712 4.740 0.000 0.000 0.181 486 N C 1.045 176.568 175.510 0.021 0.000 1.017 486 N CA 1.280 54.345 53.050 0.024 0.000 0.866 486 N CB 0.532 39.042 38.487 0.040 0.000 0.985 486 N HN 0.260 nan 8.380 nan 0.000 0.429 487 G N -0.944 107.869 108.800 0.021 0.000 2.151 487 G HA2 -0.179 3.781 3.960 0.000 0.000 0.156 487 G HA3 -0.179 3.781 3.960 0.000 0.000 0.156 487 G C -0.705 174.211 174.900 0.025 0.000 1.017 487 G CA -0.156 44.955 45.100 0.018 0.000 0.686 487 G HN 0.125 nan 8.290 nan 0.000 0.503 488 V N 1.320 121.253 119.914 0.032 0.000 2.294 488 V HA 0.672 4.792 4.120 0.000 0.000 0.272 488 V C 0.473 176.585 176.094 0.029 0.000 1.027 488 V CA -0.233 62.090 62.300 0.038 0.000 0.823 488 V CB 1.140 32.993 31.823 0.050 0.000 1.030 488 V HN 1.115 nan 8.190 nan 0.000 0.457 489 V N 1.880 121.809 119.914 0.024 0.000 2.888 489 V HA 0.797 4.917 4.120 0.000 0.000 0.309 489 V C -0.871 175.233 176.094 0.016 0.000 1.114 489 V CA -0.843 61.468 62.300 0.018 0.000 0.940 489 V CB 2.233 34.065 31.823 0.014 0.000 1.021 489 V HN 0.702 nan 8.190 nan 0.000 0.426 490 E N 3.211 123.419 120.200 0.013 0.000 2.312 490 E HA 0.639 4.989 4.350 0.000 0.000 0.267 490 E C -2.958 173.646 176.600 0.008 0.000 0.894 490 E CA -2.163 54.243 56.400 0.010 0.000 0.773 490 E CB 2.775 32.480 29.700 0.010 0.000 1.241 490 E HN 0.574 nan 8.360 nan 0.000 0.432 491 P HA -0.033 nan 4.420 nan 0.000 0.271 491 P C 0.317 177.619 177.300 0.004 0.000 1.218 491 P CA -0.291 62.812 63.100 0.005 0.000 0.780 491 P CB 0.565 32.267 31.700 0.003 0.000 0.901 492 L N 3.405 124.630 121.223 0.004 0.000 2.127 492 L HA -0.136 4.204 4.340 0.000 0.000 0.211 492 L C 2.151 179.022 176.870 0.003 0.000 1.089 492 L CA 1.814 56.656 54.840 0.003 0.000 0.757 492 L CB -0.768 41.292 42.059 0.002 0.000 0.899 492 L HN 0.312 nan 8.230 nan 0.000 0.434 493 R N -1.324 119.178 120.500 0.002 0.000 2.189 493 R HA -0.073 4.267 4.340 0.000 0.000 0.223 493 R C 1.940 178.242 176.300 0.003 0.000 1.092 493 R CA 1.134 57.236 56.100 0.002 0.000 0.989 493 R CB -0.030 30.271 30.300 0.002 0.000 0.876 493 R HN 0.370 nan 8.270 nan 0.000 0.457 494 V N 1.047 120.962 119.914 0.003 0.000 2.427 494 V HA -0.203 3.917 4.120 0.000 0.000 0.248 494 V C 2.122 178.216 176.094 0.001 0.000 1.051 494 V CA 1.581 63.882 62.300 0.002 0.000 1.048 494 V CB -0.226 31.598 31.823 0.002 0.000 0.666 494 V HN 0.227 nan 8.190 nan 0.000 0.456 495 K N 0.461 120.862 120.400 0.002 0.000 2.098 495 K HA -0.026 4.294 4.320 0.000 0.000 0.203 495 K C 2.363 178.967 176.600 0.007 0.000 1.051 495 K CA 1.676 57.965 56.287 0.003 0.000 0.957 495 K CB -1.032 31.471 32.500 0.004 0.000 0.738 495 K HN 0.667 nan 8.250 nan 0.000 0.447 496 T N -0.404 114.154 114.554 0.007 0.000 2.821 496 T HA -0.182 4.168 4.350 0.000 0.000 0.267 496 T C 2.110 176.818 174.700 0.013 0.000 1.046 496 T CA 1.313 63.419 62.100 0.010 0.000 1.139 496 T CB -0.077 68.793 68.868 0.004 0.000 0.871 496 T HN 0.035 nan 8.240 nan 0.000 0.454 497 Q N 1.799 121.604 119.800 0.009 0.000 2.046 497 Q HA 0.200 4.540 4.340 0.000 0.000 0.200 497 Q C 2.499 178.505 176.000 0.010 0.000 0.975 497 Q CA 1.820 57.629 55.803 0.009 0.000 0.836 497 Q CB -0.995 27.747 28.738 0.006 0.000 0.896 497 Q HN 0.638 nan 8.270 nan 0.000 0.428 498 A N 0.169 122.992 122.820 0.005 0.000 1.908 498 A HA -0.162 4.158 4.320 0.000 0.000 0.218 498 A C 2.111 179.695 177.584 0.002 0.000 1.181 498 A CA 1.627 53.663 52.037 -0.002 0.000 0.627 498 A CB -0.723 18.271 19.000 -0.010 0.000 0.818 498 A HN 0.497 nan 8.150 nan 0.000 0.445 499 I N -1.443 119.137 120.570 0.016 0.000 2.333 499 I HA -0.196 3.974 4.170 0.000 0.000 0.246 499 I C 2.733 178.897 176.117 0.079 0.000 1.106 499 I CA 1.481 62.808 61.300 0.046 0.000 1.411 499 I CB -0.235 37.814 38.000 0.082 0.000 1.082 499 I HN 0.353 nan 8.210 nan 0.000 0.420 500 Q N 1.192 121.026 119.800 0.057 0.000 2.050 500 Q HA -0.193 4.147 4.340 0.000 0.000 0.202 500 Q C 2.369 178.400 176.000 0.051 0.000 0.980 500 Q CA 2.559 58.394 55.803 0.054 0.000 0.840 500 Q CB -0.262 28.495 28.738 0.031 0.000 0.898 500 Q HN 0.548 nan 8.270 nan 0.000 0.424 501 S N -0.756 114.964 115.700 0.035 0.000 2.402 501 S HA -0.017 4.453 4.470 0.000 0.000 0.229 501 S C 2.040 176.659 174.600 0.032 0.000 1.021 501 S CA 0.864 59.082 58.200 0.030 0.000 0.974 501 S CB -0.490 62.721 63.200 0.018 0.000 0.800 501 S HN 0.429 nan 8.310 nan 0.000 0.484 502 A N 1.700 124.534 122.820 0.024 0.000 1.968 502 A HA 0.461 4.781 4.320 0.000 0.000 0.217 502 A C 2.449 180.060 177.584 0.045 0.000 1.169 502 A CA 1.370 53.413 52.037 0.009 0.000 0.638 502 A CB -1.208 17.767 19.000 -0.041 0.000 0.812 502 A HN 0.815 nan 8.150 nan 0.000 0.446 503 A N -0.268 122.609 122.820 0.096 0.000 1.930 503 A HA -0.054 4.266 4.320 0.000 0.000 0.215 503 A C 1.897 179.574 177.584 0.155 0.000 1.176 503 A CA 1.379 53.527 52.037 0.185 0.000 0.632 503 A CB -0.346 18.815 19.000 0.269 0.000 0.819 503 A HN 0.584 nan 8.150 nan 0.000 0.445 504 E N 0.251 120.513 120.200 0.103 0.000 2.107 504 E HA -0.116 4.234 4.350 0.000 0.000 0.191 504 E C 2.355 179.001 176.600 0.077 0.000 0.982 504 E CA 1.258 57.708 56.400 0.083 0.000 0.809 504 E CB -0.082 29.652 29.700 0.057 0.000 0.756 504 E HN 0.785 nan 8.360 nan 0.000 0.459 505 S N 0.521 116.261 115.700 0.068 0.000 2.377 505 S HA -0.130 4.340 4.470 0.000 0.000 0.223 505 S C 2.302 176.944 174.600 0.070 0.000 1.030 505 S CA 1.418 59.652 58.200 0.057 0.000 0.970 505 S CB -0.695 62.529 63.200 0.040 0.000 0.830 505 S HN 0.314 nan 8.310 nan 0.000 0.473 506 T N 0.010 114.619 114.554 0.092 0.000 2.995 506 T HA 0.106 4.456 4.350 0.000 0.000 0.269 506 T C 1.541 176.327 174.700 0.143 0.000 1.091 506 T CA 0.971 63.140 62.100 0.116 0.000 1.128 506 T CB -0.530 68.427 68.868 0.149 0.000 0.891 506 T HN 0.522 nan 8.240 nan 0.000 0.492 507 E N 0.503 120.799 120.200 0.161 0.000 2.204 507 E HA -0.015 4.335 4.350 0.000 0.000 0.194 507 E C 2.014 178.662 176.600 0.080 0.000 0.989 507 E CA 1.058 57.541 56.400 0.139 0.000 0.824 507 E CB -0.218 29.570 29.700 0.146 0.000 0.756 507 E HN 0.623 nan 8.360 nan 0.000 0.477 508 M N 0.206 119.848 119.600 0.071 0.000 2.248 508 M HA -0.047 4.433 4.480 0.000 0.000 0.265 508 M C 1.846 178.173 176.300 0.045 0.000 1.079 508 M CA 1.057 56.388 55.300 0.052 0.000 1.150 508 M CB 0.200 32.829 32.600 0.048 0.000 1.366 508 M HN 0.059 nan 8.290 nan 0.000 0.433 509 L N 0.677 121.928 121.223 0.047 0.000 2.046 509 L HA -0.206 4.134 4.340 0.000 0.000 0.208 509 L C 2.354 179.242 176.870 0.029 0.000 1.077 509 L CA 1.182 56.046 54.840 0.039 0.000 0.747 509 L CB -0.691 41.389 42.059 0.036 0.000 0.896 509 L HN 0.386 nan 8.230 nan 0.000 0.432 510 L N -0.704 120.535 121.223 0.025 0.000 2.191 510 L HA -0.183 4.157 4.340 0.000 0.000 0.212 510 L C 2.576 179.446 176.870 0.000 0.000 1.103 510 L CA 1.033 55.873 54.840 -0.000 0.000 0.769 510 L CB -0.412 41.631 42.059 -0.027 0.000 0.908 510 L HN 0.212 nan 8.230 nan 0.000 0.438 511 R N -0.206 120.305 120.500 0.018 0.000 2.276 511 R HA 0.091 4.431 4.340 0.000 0.000 0.203 511 R C 0.454 176.767 176.300 0.022 0.000 1.017 511 R CA 0.249 56.363 56.100 0.024 0.000 1.010 511 R CB -0.114 30.206 30.300 0.033 0.000 0.900 511 R HN 0.288 nan 8.270 nan 0.000 0.469 512 I N 2.210 122.793 120.570 0.023 0.000 2.441 512 I HA -0.052 4.118 4.170 0.000 0.000 0.287 512 I C 0.886 177.014 176.117 0.019 0.000 1.049 512 I CA 0.168 61.484 61.300 0.027 0.000 1.381 512 I CB 0.972 38.996 38.000 0.039 0.000 1.409 512 I HN 0.115 nan 8.210 nan 0.000 0.523 513 D N 3.631 124.043 120.400 0.020 0.000 2.514 513 D HA 0.069 4.709 4.640 0.000 0.000 0.225 513 D C -0.065 176.252 176.300 0.029 0.000 1.159 513 D CA 0.042 54.050 54.000 0.013 0.000 0.823 513 D CB 0.683 41.480 40.800 -0.004 0.000 1.097 513 D HN 0.406 nan 8.370 nan 0.000 0.519 514 D N 0.450 120.872 120.400 0.037 0.000 2.934 514 D HA 0.370 5.010 4.640 0.000 0.000 0.230 514 D C -1.273 175.058 176.300 0.051 0.000 1.204 514 D CA -0.460 53.564 54.000 0.040 0.000 0.873 514 D CB 3.048 43.860 40.800 0.019 0.000 1.645 514 D HN -0.195 nan 8.370 nan 0.000 0.502 515 V N 3.884 123.837 119.914 0.065 0.000 2.680 515 V HA 0.549 4.669 4.120 0.000 0.000 0.309 515 V C 0.070 176.151 176.094 -0.022 0.000 1.052 515 V CA -0.714 61.623 62.300 0.062 0.000 0.908 515 V CB 2.064 33.992 31.823 0.174 0.000 1.001 515 V HN 0.460 nan 8.190 nan 0.000 0.431 516 I N 3.606 124.159 120.570 -0.029 0.000 2.466 516 I HA 0.647 4.817 4.170 0.000 0.000 0.279 516 I C 0.124 176.205 176.117 -0.061 0.000 1.033 516 I CA -0.402 60.858 61.300 -0.067 0.000 1.123 516 I CB 1.547 39.520 38.000 -0.045 0.000 1.237 516 I HN 0.699 nan 8.210 nan 0.000 0.460 517 A N 5.037 127.800 122.820 -0.096 0.000 2.271 517 A HA 0.895 5.215 4.320 0.000 0.000 0.317 517 A C 0.041 177.584 177.584 -0.069 0.000 1.245 517 A CA -0.334 51.662 52.037 -0.069 0.000 0.857 517 A CB 0.977 19.941 19.000 -0.060 0.000 1.175 517 A HN 0.721 nan 8.150 nan 0.000 0.512 518 A N 1.746 124.539 122.820 -0.045 0.000 2.247 518 A HA 0.783 5.103 4.320 0.000 0.000 0.313 518 A C 0.475 178.041 177.584 -0.031 0.000 1.109 518 A CA 0.179 52.192 52.037 -0.039 0.000 0.890 518 A CB 0.125 19.108 19.000 -0.029 0.000 1.239 518 A HN 1.236 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