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 2qe0_1_A DATA FIRST_RESID 2 DATA SEQUENCE TKQYKNYVNG EWKLSENEIK IYEPASGAEL GSVPAMSTEE VDYVYASAKK DATA SEQUENCE AQPAWRALSY IERAAYLHKV ADILMRDKEK IGAILSKEVA KGYKSAVSEV DATA SEQUENCE VRTAEIINYA AEEGLRMEGE VLEGGSFEAA SKKKIAVVRR EPVGLVLAIS DATA SEQUENCE PFNYPVNLAG SKIAPALIAG NVIAFKPPTQ GSISGLLLAE AFAEAGLPAG DATA SEQUENCE VFNTITGRGS EIGDYIVEHQ AVNFINFTGS TGIGERIGKM AGMRPIMLAL DATA SEQUENCE GGKDSAIVLE DADLELTAKN IIAGAFGYSG QRCTAVKRVL VMESVADELV DATA SEQUENCE EKIREKVLAL TIGNPEDDAD ITPLIDTKSA DYVEGLINDA NDKGATALTE DATA SEQUENCE IKREGNLICP ILFDKVTTDM RLAWEEPFGP VLPIIRVTSV EEAIEISNKS DATA SEQUENCE EYGLQASIFT NDFPRAFGIA EQLEVGTVHI NNKTQRGTDN FPFLGAKKSG DATA SEQUENCE AGIQGVKYSI EAMTTVKSVV FDIK VARS RESID RESNAME ATOMNAME SS_SHIFT SHIFT RC_SHIFT HM_SHIFT EF_SHIFT SIGMA FORMAT %4d %4s %4s %9.3f %9.3f %9.3f %9.3f %9.3f %9.3f 2 T HA 0.000 nan 4.350 nan 0.000 0.228 2 T C 0.000 174.675 174.700 -0.042 0.000 1.109 2 T CA 0.000 62.086 62.100 -0.024 0.000 1.349 2 T CB 0.000 68.856 68.868 -0.020 0.000 0.612 3 K N 3.147 123.520 120.400 -0.045 0.000 2.294 3 K HA 0.118 4.438 4.320 -0.000 0.000 0.288 3 K C -0.033 176.480 176.600 -0.146 0.000 1.072 3 K CA -0.003 56.212 56.287 -0.119 0.000 0.960 3 K CB 0.318 32.749 32.500 -0.115 0.000 1.043 3 K HN 0.663 nan 8.250 nan 0.000 0.455 4 Q N 3.287 122.983 119.800 -0.174 0.000 2.314 4 Q HA 0.112 4.452 4.340 -0.000 0.000 0.257 4 Q C -0.973 174.903 176.000 -0.207 0.000 0.975 4 Q CA -0.238 55.504 55.803 -0.103 0.000 0.933 4 Q CB 0.611 29.316 28.738 -0.055 0.000 1.195 4 Q HN 0.368 nan 8.270 nan 0.000 0.426 5 Y N 1.749 122.040 120.300 -0.015 0.000 2.301 5 Y HA 0.246 4.796 4.550 -0.000 0.000 0.325 5 Y C 0.365 176.297 175.900 0.054 0.000 1.203 5 Y CA -0.115 57.984 58.100 -0.001 0.000 1.255 5 Y CB 0.961 39.430 38.460 0.014 0.000 1.232 5 Y HN 0.301 nan 8.280 nan 0.000 0.501 6 K N 1.860 122.406 120.400 0.244 0.000 2.267 6 K HA 0.360 4.680 4.320 -0.000 0.000 0.246 6 K C -0.916 176.004 176.600 0.533 0.000 0.954 6 K CA -1.220 55.269 56.287 0.337 0.000 0.824 6 K CB 1.279 33.998 32.500 0.364 0.000 1.167 6 K HN 0.548 nan 8.250 nan 0.000 0.431 7 N N 1.056 119.978 118.700 0.370 0.000 2.513 7 N HA 0.086 4.826 4.740 -0.000 0.000 0.274 7 N C -1.182 174.461 175.510 0.223 0.000 1.189 7 N CA -0.116 53.098 53.050 0.273 0.000 0.975 7 N CB 0.522 39.062 38.487 0.087 0.000 1.157 7 N HN 0.439 nan 8.380 nan 0.000 0.465 8 Y N 1.674 121.861 120.300 -0.188 0.000 2.385 8 Y HA 0.364 4.914 4.550 -0.000 0.000 0.341 8 Y C -0.848 174.832 175.900 -0.367 0.000 0.965 8 Y CA -0.581 57.149 58.100 -0.617 0.000 1.180 8 Y CB 0.409 38.389 38.460 -0.801 0.000 1.139 8 Y HN 0.096 nan 8.280 nan 0.000 0.502 9 V N 5.864 125.390 119.914 -0.647 0.000 2.525 9 V HA 0.218 4.338 4.120 -0.000 0.000 0.299 9 V C -0.060 175.747 176.094 -0.478 0.000 1.034 9 V CA -1.395 60.639 62.300 -0.443 0.000 0.863 9 V CB 1.483 33.218 31.823 -0.146 0.000 0.999 9 V HN 0.809 nan 8.190 nan 0.000 0.423 10 N N 3.525 121.941 118.700 -0.474 0.000 2.714 10 N HA -0.210 4.530 4.740 -0.000 0.000 0.252 10 N C 1.138 176.412 175.510 -0.393 0.000 1.014 10 N CA 1.943 54.774 53.050 -0.365 0.000 0.735 10 N CB -0.953 37.395 38.487 -0.231 0.000 0.924 10 N HN 1.755 nan 8.380 nan 0.000 0.540 11 G N -1.510 106.863 108.800 -0.710 0.000 2.162 11 G HA2 -0.307 3.653 3.960 -0.000 0.000 0.260 11 G HA3 -0.307 3.653 3.960 -0.000 0.000 0.260 11 G C -0.136 174.509 174.900 -0.425 0.000 0.976 11 G CA 0.722 45.507 45.100 -0.525 0.000 0.655 11 G HN 0.631 nan 8.290 nan 0.000 0.533 12 E N -1.622 118.246 120.200 -0.553 0.000 2.312 12 E HA 0.549 4.899 4.350 -0.000 0.000 0.267 12 E C -0.948 175.482 176.600 -0.284 0.000 0.894 12 E CA -1.101 55.155 56.400 -0.239 0.000 0.773 12 E CB 1.190 30.842 29.700 -0.081 0.000 1.241 12 E HN 0.256 nan 8.360 nan 0.000 0.432 13 W N 2.348 123.715 121.300 0.112 0.000 2.342 13 W HA 0.301 4.961 4.660 -0.000 0.000 0.310 13 W C -0.102 176.454 176.519 0.061 0.000 1.128 13 W CA -0.484 56.945 57.345 0.140 0.000 1.322 13 W CB 0.735 30.291 29.460 0.160 0.000 1.251 13 W HN 0.050 nan 8.180 nan 0.000 0.439 14 K N 4.135 124.680 120.400 0.242 0.000 2.221 14 K HA 0.583 4.903 4.320 -0.000 0.000 0.258 14 K C -0.445 176.233 176.600 0.130 0.000 0.944 14 K CA -0.928 55.437 56.287 0.130 0.000 0.823 14 K CB 2.080 34.602 32.500 0.037 0.000 1.113 14 K HN 0.316 nan 8.250 nan 0.000 0.431 15 L N 0.829 122.102 121.223 0.083 0.000 2.431 15 L HA 0.366 4.706 4.340 -0.000 0.000 0.260 15 L C 0.274 177.162 176.870 0.029 0.000 1.098 15 L CA -0.418 54.459 54.840 0.062 0.000 0.800 15 L CB 1.773 43.856 42.059 0.040 0.000 1.210 15 L HN 0.621 nan 8.230 nan 0.000 0.465 16 S N -0.757 114.956 115.700 0.022 0.000 2.689 16 S HA 0.168 4.638 4.470 -0.000 0.000 0.306 16 S C 0.512 175.111 174.600 -0.003 0.000 1.104 16 S CA -0.591 57.609 58.200 0.001 0.000 0.973 16 S CB 1.906 65.106 63.200 0.001 0.000 1.121 16 S HN 0.637 nan 8.310 nan 0.000 0.523 17 E N 1.493 121.685 120.200 -0.013 0.000 2.038 17 E HA -0.079 4.271 4.350 -0.000 0.000 0.195 17 E C 0.024 176.621 176.600 -0.006 0.000 1.000 17 E CA 1.489 57.881 56.400 -0.013 0.000 0.803 17 E CB 0.115 29.803 29.700 -0.020 0.000 0.750 17 E HN 0.474 nan 8.360 nan 0.000 0.448 18 N N 0.625 119.321 118.700 -0.005 0.000 2.472 18 N HA 0.194 4.934 4.740 -0.000 0.000 0.289 18 N C -0.665 174.850 175.510 0.009 0.000 1.156 18 N CA -0.271 52.780 53.050 0.001 0.000 0.940 18 N CB 1.542 40.028 38.487 -0.002 0.000 1.200 18 N HN 0.276 nan 8.380 nan 0.000 0.511 19 E N -0.127 120.082 120.200 0.014 0.000 2.416 19 E HA 0.615 4.965 4.350 -0.000 0.000 0.273 19 E C -1.211 175.403 176.600 0.024 0.000 0.935 19 E CA -0.764 55.649 56.400 0.022 0.000 0.784 19 E CB 1.505 31.220 29.700 0.024 0.000 1.301 19 E HN 0.362 nan 8.360 nan 0.000 0.454 20 I N 1.344 121.929 120.570 0.026 0.000 2.406 20 I HA 0.312 4.482 4.170 -0.000 0.000 0.290 20 I C -0.207 175.915 176.117 0.009 0.000 0.999 20 I CA -0.870 60.446 61.300 0.028 0.000 1.124 20 I CB 1.748 39.765 38.000 0.029 0.000 1.289 20 I HN 0.308 nan 8.210 nan 0.000 0.441 21 K N 6.083 126.486 120.400 0.006 0.000 2.249 21 K HA 0.513 4.833 4.320 -0.000 0.000 0.280 21 K C -0.794 175.689 176.600 -0.195 0.000 1.033 21 K CA -0.584 55.634 56.287 -0.115 0.000 0.946 21 K CB 1.274 33.704 32.500 -0.116 0.000 1.005 21 K HN 0.347 nan 8.250 nan 0.000 0.469 22 I N 3.652 124.028 120.570 -0.324 0.000 2.433 22 I HA 0.298 4.468 4.170 -0.000 0.000 0.292 22 I C -0.487 175.380 176.117 -0.418 0.000 1.001 22 I CA -0.910 60.259 61.300 -0.218 0.000 1.119 22 I CB 0.675 38.616 38.000 -0.098 0.000 1.289 22 I HN 0.473 nan 8.210 nan 0.000 0.438 23 Y N 2.575 122.888 120.300 0.022 0.000 2.509 23 Y HA 0.391 4.941 4.550 0.000 0.000 0.341 23 Y C 0.528 176.442 175.900 0.023 0.000 1.038 23 Y CA -1.040 57.073 58.100 0.023 0.000 1.089 23 Y CB 1.123 39.593 38.460 0.017 0.000 1.241 23 Y HN 0.445 nan 8.280 nan 0.000 0.468 24 E N 3.810 124.110 120.200 0.167 0.000 2.265 24 E HA 0.063 4.413 4.350 -0.000 0.000 0.272 24 E C -1.905 174.759 176.600 0.106 0.000 1.067 24 E CA -1.458 55.010 56.400 0.112 0.000 0.900 24 E CB 0.599 30.355 29.700 0.092 0.000 1.017 24 E HN 0.422 nan 8.360 nan 0.000 0.431 25 P HA -0.225 nan 4.420 nan 0.000 0.218 25 P C 0.897 178.226 177.300 0.049 0.000 1.148 25 P CA 1.312 64.446 63.100 0.057 0.000 0.822 25 P CB 0.288 32.014 31.700 0.043 0.000 0.784 26 A N -0.407 122.448 122.820 0.059 0.000 1.878 26 A HA -0.078 4.242 4.320 -0.000 0.000 0.213 26 A C 2.336 179.946 177.584 0.043 0.000 1.192 26 A CA 1.927 53.993 52.037 0.049 0.000 0.619 26 A CB -1.215 17.819 19.000 0.056 0.000 0.837 26 A HN 0.313 nan 8.150 nan 0.000 0.446 27 S N -2.486 113.245 115.700 0.053 0.000 2.470 27 S HA 0.379 4.849 4.470 -0.000 0.000 0.222 27 S C 1.583 176.215 174.600 0.053 0.000 1.024 27 S CA 1.294 59.523 58.200 0.048 0.000 0.931 27 S CB 0.072 63.303 63.200 0.051 0.000 0.791 27 S HN 1.921 nan 8.310 nan 0.000 0.513 28 G N 1.179 110.024 108.800 0.075 0.000 2.199 28 G HA2 -0.139 3.821 3.960 -0.000 0.000 0.254 28 G HA3 -0.139 3.821 3.960 -0.000 0.000 0.254 28 G C 0.351 175.352 174.900 0.168 0.000 0.982 28 G CA 0.070 45.219 45.100 0.082 0.000 0.632 28 G HN 1.376 nan 8.290 nan 0.000 0.529 29 A N 0.323 123.231 122.820 0.147 0.000 2.498 29 A HA 0.520 4.840 4.320 -0.000 0.000 0.239 29 A C 0.576 178.280 177.584 0.200 0.000 1.068 29 A CA 0.867 52.998 52.037 0.156 0.000 0.766 29 A CB 0.223 19.277 19.000 0.090 0.000 1.003 29 A HN 0.718 nan 8.150 nan 0.000 0.497 30 E N 1.266 121.567 120.200 0.167 0.000 2.384 30 E HA 0.182 4.532 4.350 -0.000 0.000 0.266 30 E C 0.315 176.878 176.600 -0.061 0.000 1.012 30 E CA -0.167 56.192 56.400 -0.069 0.000 0.901 30 E CB 0.408 30.053 29.700 -0.092 0.000 0.967 30 E HN 0.697 nan 8.360 nan 0.000 0.435 31 L N 2.972 124.120 121.223 -0.124 0.000 2.388 31 L HA 0.356 4.696 4.340 -0.000 0.000 0.209 31 L C 0.861 177.743 176.870 0.019 0.000 1.061 31 L CA 0.895 55.717 54.840 -0.031 0.000 0.834 31 L CB 0.371 42.411 42.059 -0.031 0.000 1.029 31 L HN 0.794 nan 8.230 nan 0.000 0.473 32 G N -0.856 107.926 108.800 -0.030 0.000 2.344 32 G HA2 0.212 4.172 3.960 -0.000 0.000 0.282 32 G HA3 0.212 4.172 3.960 -0.000 0.000 0.282 32 G C -1.550 173.364 174.900 0.024 0.000 1.281 32 G CA 0.159 45.317 45.100 0.095 0.000 0.877 32 G HN 0.130 nan 8.290 nan 0.000 0.494 33 S N -1.602 114.179 115.700 0.135 0.000 2.569 33 S HA 0.887 5.356 4.470 -0.000 0.000 0.280 33 S C -0.453 174.239 174.600 0.154 0.000 1.111 33 S CA 0.078 58.320 58.200 0.070 0.000 0.887 33 S CB 1.594 64.811 63.200 0.029 0.000 1.095 33 S HN 2.261 nan 8.310 nan 0.000 0.476 34 V N -2.025 117.940 119.914 0.085 0.000 3.074 34 V HA 0.829 4.949 4.120 -0.000 0.000 0.314 34 V C -3.206 172.928 176.094 0.066 0.000 1.117 34 V CA -2.951 59.408 62.300 0.098 0.000 1.014 34 V CB 1.054 32.902 31.823 0.042 0.000 1.057 34 V HN 0.720 nan 8.190 nan 0.000 0.438 35 P HA 0.422 nan 4.420 nan 0.000 0.272 35 P C -0.728 176.585 177.300 0.021 0.000 1.230 35 P CA 0.079 63.205 63.100 0.043 0.000 0.788 35 P CB 0.797 32.527 31.700 0.049 0.000 0.949 36 A N 3.291 126.118 122.820 0.010 0.000 2.786 36 A HA 0.404 4.724 4.320 -0.000 0.000 0.346 36 A C 0.188 177.764 177.584 -0.013 0.000 1.265 36 A CA -0.537 51.501 52.037 0.000 0.000 0.858 36 A CB -0.646 18.356 19.000 0.003 0.000 1.118 36 A HN 0.444 nan 8.150 nan 0.000 0.482 37 M N 1.789 121.377 119.600 -0.020 0.000 2.252 37 M HA 0.099 4.579 4.480 -0.000 0.000 0.321 37 M C 1.050 177.318 176.300 -0.053 0.000 1.070 37 M CA 0.420 55.698 55.300 -0.036 0.000 1.143 37 M CB 0.617 33.190 32.600 -0.046 0.000 1.498 37 M HN 0.775 nan 8.290 nan 0.000 0.445 38 S N -0.085 115.575 115.700 -0.068 0.000 2.646 38 S HA 0.265 4.735 4.470 -0.000 0.000 0.276 38 S C 1.182 175.696 174.600 -0.144 0.000 1.222 38 S CA -0.308 57.833 58.200 -0.099 0.000 1.014 38 S CB 1.261 64.409 63.200 -0.085 0.000 0.991 38 S HN 0.840 nan 8.310 nan 0.000 0.533 39 T N -0.859 113.537 114.554 -0.264 0.000 2.778 39 T HA -0.177 4.173 4.350 -0.000 0.000 0.269 39 T C 1.149 175.736 174.700 -0.189 0.000 1.050 39 T CA 1.714 63.522 62.100 -0.486 0.000 1.137 39 T CB -0.698 67.530 68.868 -1.067 0.000 0.860 39 T HN 0.669 nan 8.240 nan 0.000 0.468 40 E N 1.333 121.468 120.200 -0.109 0.000 2.107 40 E HA -0.004 4.346 4.350 -0.000 0.000 0.191 40 E C 2.331 178.944 176.600 0.022 0.000 0.982 40 E CA 1.041 57.435 56.400 -0.011 0.000 0.809 40 E CB -0.200 29.484 29.700 -0.026 0.000 0.756 40 E HN 0.710 nan 8.360 nan 0.000 0.459 41 E N -0.103 120.084 120.200 -0.022 0.000 2.274 41 E HA -0.091 4.259 4.350 -0.000 0.000 0.194 41 E C 1.779 178.367 176.600 -0.021 0.000 0.996 41 E CA 0.592 56.986 56.400 -0.009 0.000 0.840 41 E CB 0.208 29.883 29.700 -0.041 0.000 0.772 41 E HN 0.084 nan 8.360 nan 0.000 0.491 42 V N 1.594 121.474 119.914 -0.056 0.000 2.488 42 V HA -0.177 3.943 4.120 -0.000 0.000 0.246 42 V C 1.535 177.484 176.094 -0.243 0.000 1.046 42 V CA 1.562 63.747 62.300 -0.192 0.000 1.053 42 V CB -0.226 31.579 31.823 -0.030 0.000 0.679 42 V HN 0.157 nan 8.190 nan 0.000 0.458 43 D N -0.886 119.560 120.400 0.077 0.000 2.144 43 D HA -0.190 4.450 4.640 -0.000 0.000 0.199 43 D C 1.864 178.228 176.300 0.107 0.000 0.984 43 D CA 1.369 55.495 54.000 0.211 0.000 0.834 43 D CB -0.159 40.814 40.800 0.289 0.000 0.955 43 D HN 0.594 nan 8.370 nan 0.000 0.465 44 Y N 0.831 121.105 120.300 -0.043 0.000 2.337 44 Y HA -0.133 4.417 4.550 -0.000 0.000 0.293 44 Y C 2.129 177.968 175.900 -0.102 0.000 1.123 44 Y CA 0.768 58.833 58.100 -0.057 0.000 1.201 44 Y CB 0.059 38.480 38.460 -0.065 0.000 1.011 44 Y HN -0.229 nan 8.280 nan 0.000 0.545 45 V N -0.413 119.401 119.914 -0.167 0.000 2.295 45 V HA -0.325 3.795 4.120 -0.000 0.000 0.246 45 V C 1.958 177.936 176.094 -0.193 0.000 1.049 45 V CA 2.028 64.171 62.300 -0.261 0.000 1.024 45 V CB -0.928 30.705 31.823 -0.316 0.000 0.648 45 V HN 0.394 nan 8.190 nan 0.000 0.447 46 Y N 0.641 120.801 120.300 -0.233 0.000 2.200 46 Y HA -0.073 4.477 4.550 -0.000 0.000 0.290 46 Y C 2.567 178.328 175.900 -0.231 0.000 1.137 46 Y CA 0.700 58.639 58.100 -0.269 0.000 1.163 46 Y CB -1.432 36.765 38.460 -0.438 0.000 0.988 46 Y HN 0.203 nan 8.280 nan 0.000 0.518 47 A N -0.732 122.062 122.820 -0.044 0.000 1.933 47 A HA -0.162 4.158 4.320 -0.000 0.000 0.218 47 A C 2.514 179.980 177.584 -0.197 0.000 1.175 47 A CA 1.908 53.888 52.037 -0.094 0.000 0.628 47 A CB -0.927 18.031 19.000 -0.070 0.000 0.814 47 A HN 0.386 nan 8.150 nan 0.000 0.444 48 S N -0.185 115.304 115.700 -0.352 0.000 2.356 48 S HA -0.040 4.430 4.470 -0.000 0.000 0.223 48 S C 2.328 176.787 174.600 -0.235 0.000 1.032 48 S CA 1.236 59.205 58.200 -0.385 0.000 1.005 48 S CB -0.448 62.420 63.200 -0.553 0.000 0.867 48 S HN 0.795 nan 8.310 nan 0.000 0.449 49 A N 2.010 124.715 122.820 -0.191 0.000 1.873 49 A HA -0.079 4.241 4.320 -0.000 0.000 0.215 49 A C 2.025 179.546 177.584 -0.105 0.000 1.186 49 A CA 1.172 53.120 52.037 -0.149 0.000 0.616 49 A CB -0.362 18.570 19.000 -0.113 0.000 0.823 49 A HN 0.226 nan 8.150 nan 0.000 0.442 50 K N 0.110 120.456 120.400 -0.090 0.000 2.152 50 K HA -0.139 4.181 4.320 -0.000 0.000 0.206 50 K C 1.869 178.439 176.600 -0.049 0.000 1.048 50 K CA 1.622 57.871 56.287 -0.062 0.000 0.933 50 K CB -0.297 32.170 32.500 -0.055 0.000 0.721 50 K HN 0.617 nan 8.250 nan 0.000 0.447 51 K N 0.385 120.744 120.400 -0.068 0.000 2.167 51 K HA 0.025 4.345 4.320 -0.000 0.000 0.203 51 K C 1.850 178.427 176.600 -0.038 0.000 1.052 51 K CA 0.873 57.128 56.287 -0.053 0.000 0.956 51 K CB 0.086 32.542 32.500 -0.073 0.000 0.735 51 K HN 0.061 nan 8.250 nan 0.000 0.451 52 A N 0.760 123.546 122.820 -0.057 0.000 2.072 52 A HA -0.082 4.238 4.320 -0.000 0.000 0.216 52 A C 1.965 179.567 177.584 0.030 0.000 1.156 52 A CA 0.494 52.510 52.037 -0.035 0.000 0.701 52 A CB -0.255 18.686 19.000 -0.099 0.000 0.816 52 A HN 0.316 nan 8.150 nan 0.000 0.458 53 Q N 0.185 120.000 119.800 0.025 0.000 2.077 53 Q HA -0.159 4.181 4.340 -0.000 0.000 0.206 53 Q C -0.695 175.374 176.000 0.115 0.000 0.989 53 Q CA 2.199 58.055 55.803 0.090 0.000 0.853 53 Q CB -1.107 27.660 28.738 0.048 0.000 0.907 53 Q HN 0.411 nan 8.270 nan 0.000 0.418 54 P HA -0.109 nan 4.420 nan 0.000 0.215 54 P C 0.730 178.064 177.300 0.057 0.000 1.153 54 P CA 2.114 65.242 63.100 0.046 0.000 0.853 54 P CB -0.303 31.412 31.700 0.026 0.000 0.788 55 A N -1.640 121.229 122.820 0.081 0.000 2.066 55 A HA -0.139 4.181 4.320 -0.000 0.000 0.218 55 A C 2.118 179.793 177.584 0.151 0.000 1.157 55 A CA 0.675 52.766 52.037 0.091 0.000 0.670 55 A CB -1.661 17.392 19.000 0.089 0.000 0.804 55 A HN 0.327 nan 8.150 nan 0.000 0.453 56 W N 0.583 121.867 121.300 -0.028 0.000 2.453 56 W HA -0.058 4.602 4.660 0.000 0.000 0.289 56 W C 2.157 178.649 176.519 -0.046 0.000 1.215 56 W CA 1.051 58.378 57.345 -0.029 0.000 1.297 56 W CB -0.137 29.302 29.460 -0.037 0.000 1.113 56 W HN 0.373 nan 8.180 nan 0.000 0.551 57 R N 0.985 121.479 120.500 -0.010 0.000 2.115 57 R HA -0.099 4.241 4.340 -0.000 0.000 0.230 57 R C 2.178 178.357 176.300 -0.202 0.000 1.111 57 R CA 1.498 57.504 56.100 -0.158 0.000 0.976 57 R CB -0.542 29.727 30.300 -0.051 0.000 0.870 57 R HN 0.079 nan 8.270 nan 0.000 0.445 58 A N 1.253 124.005 122.820 -0.113 0.000 2.119 58 A HA 0.078 4.398 4.320 -0.000 0.000 0.217 58 A C 1.115 178.617 177.584 -0.137 0.000 1.153 58 A CA 0.313 52.289 52.037 -0.100 0.000 0.692 58 A CB -0.234 18.743 19.000 -0.038 0.000 0.799 58 A HN 0.227 nan 8.150 nan 0.000 0.458 59 L N 0.649 121.758 121.223 -0.191 0.000 2.474 59 L HA 0.133 4.473 4.340 -0.000 0.000 0.259 59 L C 1.190 177.899 176.870 -0.269 0.000 1.232 59 L CA -0.136 54.582 54.840 -0.204 0.000 0.821 59 L CB 0.427 42.327 42.059 -0.265 0.000 1.108 59 L HN 0.443 nan 8.230 nan 0.000 0.495 60 S N -0.884 114.697 115.700 -0.199 0.000 2.652 60 S HA 0.161 4.631 4.470 -0.000 0.000 0.270 60 S C 0.796 175.261 174.600 -0.225 0.000 1.243 60 S CA -0.545 57.545 58.200 -0.182 0.000 0.999 60 S CB 0.581 63.740 63.200 -0.068 0.000 0.973 60 S HN 0.419 nan 8.310 nan 0.000 0.544 61 Y N 0.630 120.859 120.300 -0.118 0.000 2.165 61 Y HA -0.114 4.436 4.550 -0.000 0.000 0.286 61 Y C 2.214 178.054 175.900 -0.099 0.000 1.155 61 Y CA 1.536 59.565 58.100 -0.119 0.000 1.164 61 Y CB -0.494 37.914 38.460 -0.085 0.000 0.978 61 Y HN 0.733 nan 8.280 nan 0.000 0.513 62 I N 0.039 120.660 120.570 0.084 0.000 2.264 62 I HA -0.324 3.846 4.170 -0.000 0.000 0.248 62 I C 1.957 178.073 176.117 -0.002 0.000 1.111 62 I CA 1.685 63.008 61.300 0.038 0.000 1.382 62 I CB -0.127 37.888 38.000 0.025 0.000 1.060 62 I HN 0.291 nan 8.210 nan 0.000 0.418 63 E N 0.241 120.414 120.200 -0.045 0.000 2.072 63 E HA -0.210 4.140 4.350 -0.000 0.000 0.191 63 E C 2.308 178.893 176.600 -0.024 0.000 0.985 63 E CA 0.951 57.306 56.400 -0.075 0.000 0.801 63 E CB -0.068 29.587 29.700 -0.075 0.000 0.750 63 E HN 0.481 nan 8.360 nan 0.000 0.452 64 R N 0.404 120.853 120.500 -0.084 0.000 2.092 64 R HA -0.053 4.287 4.340 -0.000 0.000 0.231 64 R C 2.360 178.725 176.300 0.110 0.000 1.119 64 R CA 0.990 57.055 56.100 -0.058 0.000 0.970 64 R CB -0.252 29.804 30.300 -0.406 0.000 0.864 64 R HN 0.098 nan 8.270 nan 0.000 0.440 65 A N 1.322 124.164 122.820 0.037 0.000 1.933 65 A HA -0.113 4.207 4.320 -0.000 0.000 0.218 65 A C 2.357 179.954 177.584 0.023 0.000 1.175 65 A CA 1.665 53.693 52.037 -0.015 0.000 0.628 65 A CB -0.504 18.504 19.000 0.013 0.000 0.814 65 A HN 0.390 nan 8.150 nan 0.000 0.444 66 A N -1.406 121.461 122.820 0.078 0.000 1.898 66 A HA -0.081 4.239 4.320 -0.000 0.000 0.216 66 A C 2.094 179.717 177.584 0.066 0.000 1.181 66 A CA 1.429 53.506 52.037 0.068 0.000 0.620 66 A CB -0.824 18.127 19.000 -0.081 0.000 0.819 66 A HN 0.618 nan 8.150 nan 0.000 0.442 67 Y N -0.005 120.356 120.300 0.101 0.000 2.145 67 Y HA -0.197 4.353 4.550 -0.000 0.000 0.286 67 Y C 2.308 178.234 175.900 0.042 0.000 1.145 67 Y CA 1.378 59.548 58.100 0.118 0.000 1.148 67 Y CB -0.256 38.364 38.460 0.267 0.000 0.981 67 Y HN 0.188 nan 8.280 nan 0.000 0.507 68 L N -1.142 120.193 121.223 0.188 0.000 2.046 68 L HA -0.279 4.061 4.340 -0.000 0.000 0.208 68 L C 2.391 179.216 176.870 -0.074 0.000 1.077 68 L CA 1.124 55.965 54.840 0.003 0.000 0.747 68 L CB -0.679 41.356 42.059 -0.040 0.000 0.896 68 L HN 0.380 nan 8.230 nan 0.000 0.432 69 H N 0.025 119.104 119.070 0.015 0.000 2.353 69 H HA -0.197 4.359 4.556 -0.000 0.000 0.300 69 H C 2.242 177.546 175.328 -0.039 0.000 1.090 69 H CA 1.675 57.712 56.048 -0.018 0.000 1.327 69 H CB -0.001 29.751 29.762 -0.017 0.000 1.383 69 H HN 0.219 nan 8.280 nan 0.000 0.508 70 K N 0.731 121.191 120.400 0.101 0.000 2.026 70 K HA -0.093 4.227 4.320 -0.000 0.000 0.208 70 K C 2.192 178.765 176.600 -0.045 0.000 1.048 70 K CA 1.198 57.505 56.287 0.034 0.000 0.929 70 K CB -0.273 32.260 32.500 0.056 0.000 0.713 70 K HN -0.036 nan 8.250 nan 0.000 0.439 71 V N 1.255 121.091 119.914 -0.131 0.000 2.287 71 V HA -0.302 3.818 4.120 -0.000 0.000 0.248 71 V C 2.430 178.378 176.094 -0.243 0.000 1.053 71 V CA 2.120 64.224 62.300 -0.328 0.000 1.027 71 V CB -1.003 30.380 31.823 -0.732 0.000 0.646 71 V HN 0.557 nan 8.190 nan 0.000 0.447 72 A N -0.274 122.453 122.820 -0.155 0.000 1.940 72 A HA -0.269 4.051 4.320 -0.000 0.000 0.219 72 A C 1.989 179.542 177.584 -0.052 0.000 1.176 72 A CA 2.096 54.082 52.037 -0.085 0.000 0.631 72 A CB -0.629 18.364 19.000 -0.013 0.000 0.814 72 A HN 0.560 nan 8.150 nan 0.000 0.446 73 D N 0.046 120.426 120.400 -0.034 0.000 2.097 73 D HA -0.125 4.515 4.640 -0.000 0.000 0.195 73 D C 1.842 178.121 176.300 -0.036 0.000 0.989 73 D CA 1.304 55.289 54.000 -0.025 0.000 0.827 73 D CB -0.397 40.395 40.800 -0.013 0.000 0.966 73 D HN 0.516 nan 8.370 nan 0.000 0.456 74 I N 0.702 121.241 120.570 -0.052 0.000 2.163 74 I HA -0.260 3.910 4.170 -0.000 0.000 0.243 74 I C 2.476 178.565 176.117 -0.046 0.000 1.085 74 I CA 0.750 62.021 61.300 -0.048 0.000 1.347 74 I CB -0.192 37.770 38.000 -0.063 0.000 1.044 74 I HN -0.004 nan 8.210 nan 0.000 0.408 75 L N -0.617 120.565 121.223 -0.068 0.000 2.042 75 L HA -0.252 4.088 4.340 -0.000 0.000 0.210 75 L C 2.694 179.543 176.870 -0.035 0.000 1.076 75 L CA 1.140 55.948 54.840 -0.054 0.000 0.749 75 L CB -0.491 41.524 42.059 -0.073 0.000 0.893 75 L HN 0.311 nan 8.230 nan 0.000 0.432 76 M N -0.695 118.885 119.600 -0.033 0.000 2.086 76 M HA -0.207 4.273 4.480 -0.000 0.000 0.261 76 M C 2.345 178.635 176.300 -0.015 0.000 1.067 76 M CA 1.567 56.853 55.300 -0.023 0.000 1.116 76 M CB -1.264 31.324 32.600 -0.020 0.000 1.348 76 M HN 0.223 nan 8.290 nan 0.000 0.407 77 R N 0.381 120.872 120.500 -0.014 0.000 2.091 77 R HA -0.169 4.171 4.340 -0.000 0.000 0.238 77 R C 0.232 176.532 176.300 0.000 0.000 1.136 77 R CA 1.697 57.793 56.100 -0.006 0.000 0.959 77 R CB -0.047 30.249 30.300 -0.007 0.000 0.856 77 R HN 0.282 nan 8.270 nan 0.000 0.437 78 D N 0.245 120.644 120.400 -0.002 0.000 2.427 78 D HA -0.008 4.632 4.640 -0.000 0.000 0.224 78 D C 0.988 177.294 176.300 0.009 0.000 1.157 78 D CA 0.149 54.154 54.000 0.009 0.000 0.828 78 D CB 0.514 41.321 40.800 0.011 0.000 0.974 78 D HN 0.463 nan 8.370 nan 0.000 0.498 79 K N 0.496 120.895 120.400 -0.002 0.000 2.103 79 K HA -0.162 4.158 4.320 -0.000 0.000 0.207 79 K C 1.277 177.869 176.600 -0.014 0.000 1.048 79 K CA 1.068 57.344 56.287 -0.018 0.000 0.930 79 K CB 0.059 32.539 32.500 -0.034 0.000 0.716 79 K HN -0.088 nan 8.250 nan 0.000 0.444 80 E N 1.417 121.635 120.200 0.030 0.000 2.072 80 E HA -0.117 4.233 4.350 -0.000 0.000 0.190 80 E C 1.982 178.660 176.600 0.130 0.000 0.982 80 E CA 1.164 57.628 56.400 0.106 0.000 0.803 80 E CB -0.005 29.780 29.700 0.143 0.000 0.755 80 E HN 0.375 nan 8.360 nan 0.000 0.453 81 K N 0.817 121.266 120.400 0.082 0.000 2.057 81 K HA -0.151 4.169 4.320 -0.000 0.000 0.207 81 K C 1.960 178.604 176.600 0.073 0.000 1.049 81 K CA 1.384 57.717 56.287 0.076 0.000 0.931 81 K CB -0.153 32.378 32.500 0.052 0.000 0.714 81 K HN 0.130 nan 8.250 nan 0.000 0.440 82 I N 0.730 121.330 120.570 0.049 0.000 2.233 82 I HA -0.102 4.068 4.170 -0.000 0.000 0.243 82 I C 2.573 178.706 176.117 0.026 0.000 1.093 82 I CA 1.153 62.477 61.300 0.040 0.000 1.380 82 I CB -0.571 37.446 38.000 0.028 0.000 1.067 82 I HN 0.349 nan 8.210 nan 0.000 0.413 83 G N 0.664 109.458 108.800 -0.010 0.000 2.450 83 G HA2 -0.236 3.724 3.960 -0.000 0.000 0.220 83 G HA3 -0.236 3.724 3.960 -0.000 0.000 0.220 83 G C 1.850 176.760 174.900 0.016 0.000 1.130 83 G CA 0.862 45.911 45.100 -0.086 0.000 0.760 83 G HN 0.481 nan 8.290 nan 0.000 0.557 84 A N 0.599 123.530 122.820 0.185 0.000 1.902 84 A HA 0.087 4.407 4.320 -0.000 0.000 0.217 84 A C 2.380 180.061 177.584 0.161 0.000 1.181 84 A CA 1.242 53.464 52.037 0.308 0.000 0.623 84 A CB -0.263 18.889 19.000 0.253 0.000 0.818 84 A HN 0.389 nan 8.150 nan 0.000 0.443 85 I N -1.010 119.622 120.570 0.102 0.000 2.333 85 I HA -0.130 4.040 4.170 -0.000 0.000 0.246 85 I C 2.354 178.500 176.117 0.049 0.000 1.106 85 I CA 0.629 61.969 61.300 0.068 0.000 1.411 85 I CB -0.250 37.781 38.000 0.051 0.000 1.082 85 I HN 0.351 nan 8.210 nan 0.000 0.420 86 L N 0.654 121.899 121.223 0.037 0.000 2.013 86 L HA -0.256 4.084 4.340 -0.000 0.000 0.212 86 L C 2.660 179.550 176.870 0.033 0.000 1.073 86 L CA 2.171 57.025 54.840 0.024 0.000 0.753 86 L CB -1.081 40.975 42.059 -0.005 0.000 0.890 86 L HN 0.227 nan 8.230 nan 0.000 0.432 87 S N -0.796 114.928 115.700 0.040 0.000 2.365 87 S HA -0.283 4.187 4.470 -0.000 0.000 0.225 87 S C 2.068 176.723 174.600 0.092 0.000 1.039 87 S CA 1.976 60.215 58.200 0.066 0.000 1.033 87 S CB -0.251 63.035 63.200 0.143 0.000 0.887 87 S HN 0.618 nan 8.310 nan 0.000 0.447 88 K N 0.346 120.801 120.400 0.092 0.000 2.103 88 K HA -0.035 4.285 4.320 -0.000 0.000 0.204 88 K C 2.360 179.007 176.600 0.079 0.000 1.052 88 K CA 1.358 57.695 56.287 0.083 0.000 0.945 88 K CB -0.195 32.348 32.500 0.072 0.000 0.722 88 K HN 0.548 nan 8.250 nan 0.000 0.443 89 E N 0.910 121.152 120.200 0.069 0.000 2.152 89 E HA -0.122 4.228 4.350 -0.000 0.000 0.192 89 E C 1.298 177.960 176.600 0.104 0.000 0.983 89 E CA 1.172 57.612 56.400 0.067 0.000 0.818 89 E CB 0.433 30.156 29.700 0.038 0.000 0.758 89 E HN 0.201 nan 8.360 nan 0.000 0.467 90 V N -3.629 116.367 119.914 0.136 0.000 3.253 90 V HA 0.578 4.698 4.120 -0.000 0.000 0.320 90 V C 0.485 176.737 176.094 0.263 0.000 1.442 90 V CA 0.160 62.597 62.300 0.228 0.000 1.097 90 V CB 0.094 32.111 31.823 0.322 0.000 1.008 90 V HN 0.170 nan 8.190 nan 0.000 0.463 91 A N 0.452 123.380 122.820 0.180 0.000 2.791 91 A HA -0.267 4.053 4.320 -0.000 0.000 0.292 91 A C 0.437 178.183 177.584 0.270 0.000 1.487 91 A CA 1.691 53.836 52.037 0.180 0.000 0.760 91 A CB -2.059 17.026 19.000 0.141 0.000 1.031 91 A HN 1.011 nan 8.150 nan 0.000 0.503 92 K N 0.403 120.916 120.400 0.188 0.000 2.182 92 K HA 0.532 4.852 4.320 -0.000 0.000 0.262 92 K C 0.812 177.431 176.600 0.031 0.000 0.957 92 K CA 0.023 56.350 56.287 0.065 0.000 0.842 92 K CB 1.065 33.392 32.500 -0.287 0.000 1.099 92 K HN 0.933 nan 8.250 nan 0.000 0.438 93 G N 2.726 111.546 108.800 0.033 0.000 2.464 93 G HA2 -0.187 3.773 3.960 -0.000 0.000 0.231 93 G HA3 -0.187 3.773 3.960 -0.000 0.000 0.231 93 G C 0.363 175.284 174.900 0.034 0.000 1.267 93 G CA 0.014 45.145 45.100 0.053 0.000 0.863 93 G HN 0.888 nan 8.290 nan 0.000 0.559 94 Y N 1.587 121.883 120.300 -0.006 0.000 2.053 94 Y HA -0.262 4.288 4.550 -0.000 0.000 0.277 94 Y C 2.807 178.696 175.900 -0.019 0.000 1.159 94 Y CA 2.479 60.573 58.100 -0.010 0.000 1.125 94 Y CB -0.021 38.439 38.460 -0.001 0.000 0.969 94 Y HN 0.574 nan 8.280 nan 0.000 0.492 95 K N -0.687 119.643 120.400 -0.117 0.000 2.097 95 K HA -0.180 4.140 4.320 -0.000 0.000 0.206 95 K C 2.507 178.990 176.600 -0.194 0.000 1.049 95 K CA 1.346 57.526 56.287 -0.179 0.000 0.933 95 K CB -0.353 32.140 32.500 -0.013 0.000 0.717 95 K HN 0.240 nan 8.250 nan 0.000 0.442 96 S N 0.398 116.010 115.700 -0.148 0.000 2.402 96 S HA -0.086 4.384 4.470 -0.000 0.000 0.229 96 S C 1.966 176.448 174.600 -0.197 0.000 1.021 96 S CA 1.064 59.172 58.200 -0.152 0.000 0.974 96 S CB -0.078 63.031 63.200 -0.151 0.000 0.800 96 S HN 0.382 nan 8.310 nan 0.000 0.484 97 A N 0.556 123.236 122.820 -0.234 0.000 1.897 97 A HA 0.069 4.389 4.320 -0.000 0.000 0.215 97 A C 2.259 179.706 177.584 -0.229 0.000 1.181 97 A CA 1.417 53.321 52.037 -0.221 0.000 0.620 97 A CB -0.826 18.061 19.000 -0.188 0.000 0.821 97 A HN 0.421 nan 8.150 nan 0.000 0.443 98 V N -0.604 119.102 119.914 -0.347 0.000 2.427 98 V HA -0.181 3.939 4.120 -0.000 0.000 0.248 98 V C 2.748 178.742 176.094 -0.166 0.000 1.051 98 V CA 2.177 64.306 62.300 -0.285 0.000 1.048 98 V CB -0.576 31.011 31.823 -0.394 0.000 0.666 98 V HN 0.580 nan 8.190 nan 0.000 0.456 99 S N -0.830 114.776 115.700 -0.156 0.000 2.382 99 S HA -0.247 4.223 4.470 -0.000 0.000 0.228 99 S C 2.070 176.626 174.600 -0.072 0.000 1.027 99 S CA 1.853 59.993 58.200 -0.100 0.000 0.991 99 S CB -0.212 62.934 63.200 -0.089 0.000 0.823 99 S HN 0.749 nan 8.310 nan 0.000 0.469 100 E N 0.250 120.409 120.200 -0.068 0.000 2.085 100 E HA -0.133 4.217 4.350 -0.000 0.000 0.194 100 E C 1.875 178.458 176.600 -0.029 0.000 0.994 100 E CA 1.564 57.954 56.400 -0.016 0.000 0.801 100 E CB -0.030 29.671 29.700 0.001 0.000 0.743 100 E HN 0.403 nan 8.360 nan 0.000 0.453 101 V N 0.526 120.410 119.914 -0.049 0.000 2.307 101 V HA -0.224 3.896 4.120 -0.000 0.000 0.245 101 V C 2.473 178.540 176.094 -0.044 0.000 1.045 101 V CA 1.388 63.664 62.300 -0.040 0.000 1.024 101 V CB -0.423 31.374 31.823 -0.045 0.000 0.651 101 V HN 0.194 nan 8.190 nan 0.000 0.449 102 V N 0.215 120.098 119.914 -0.052 0.000 2.332 102 V HA -0.292 3.828 4.120 -0.000 0.000 0.248 102 V C 2.612 178.677 176.094 -0.047 0.000 1.055 102 V CA 2.500 64.771 62.300 -0.047 0.000 1.038 102 V CB -0.814 30.979 31.823 -0.049 0.000 0.651 102 V HN 0.506 nan 8.190 nan 0.000 0.450 103 R N -0.302 120.165 120.500 -0.056 0.000 2.115 103 R HA -0.148 4.192 4.340 -0.000 0.000 0.230 103 R C 2.275 178.535 176.300 -0.067 0.000 1.111 103 R CA 1.899 57.956 56.100 -0.071 0.000 0.976 103 R CB -0.325 29.922 30.300 -0.088 0.000 0.870 103 R HN 0.568 nan 8.270 nan 0.000 0.445 104 T N 0.471 114.992 114.554 -0.054 0.000 2.777 104 T HA -0.068 4.282 4.350 -0.000 0.000 0.266 104 T C 1.844 176.520 174.700 -0.041 0.000 1.040 104 T CA 1.257 63.329 62.100 -0.047 0.000 1.141 104 T CB -0.264 68.585 68.868 -0.033 0.000 0.868 104 T HN 0.422 nan 8.240 nan 0.000 0.444 105 A N 1.695 124.491 122.820 -0.041 0.000 1.908 105 A HA -0.166 4.154 4.320 -0.000 0.000 0.218 105 A C 2.209 179.789 177.584 -0.006 0.000 1.181 105 A CA 1.712 53.729 52.037 -0.034 0.000 0.627 105 A CB -0.573 18.408 19.000 -0.032 0.000 0.818 105 A HN 0.580 nan 8.150 nan 0.000 0.445 106 E N -0.446 119.749 120.200 -0.008 0.000 2.051 106 E HA -0.144 4.206 4.350 -0.000 0.000 0.192 106 E C 1.893 178.519 176.600 0.043 0.000 0.991 106 E CA 1.228 57.637 56.400 0.015 0.000 0.799 106 E CB -0.265 29.422 29.700 -0.020 0.000 0.748 106 E HN 0.686 nan 8.360 nan 0.000 0.449 107 I N 0.848 121.417 120.570 -0.001 0.000 2.252 107 I HA -0.263 3.907 4.170 -0.000 0.000 0.245 107 I C 2.271 178.419 176.117 0.051 0.000 1.102 107 I CA 0.943 62.249 61.300 0.010 0.000 1.385 107 I CB -0.105 37.869 38.000 -0.044 0.000 1.064 107 I HN 0.121 nan 8.210 nan 0.000 0.414 108 I N 0.687 121.268 120.570 0.018 0.000 2.179 108 I HA -0.323 3.847 4.170 -0.000 0.000 0.242 108 I C 2.039 178.148 176.117 -0.013 0.000 1.088 108 I CA 1.851 63.151 61.300 0.000 0.000 1.357 108 I CB -0.533 37.440 38.000 -0.045 0.000 1.051 108 I HN 0.280 nan 8.210 nan 0.000 0.409 109 N N -0.284 118.434 118.700 0.030 0.000 2.120 109 N HA -0.252 4.488 4.740 -0.000 0.000 0.188 109 N C 1.955 177.511 175.510 0.076 0.000 1.024 109 N CA 1.167 54.260 53.050 0.072 0.000 0.852 109 N CB -0.221 38.378 38.487 0.186 0.000 1.003 109 N HN 0.269 nan 8.380 nan 0.000 0.424 110 Y N 1.362 121.665 120.300 0.005 0.000 2.181 110 Y HA -0.165 4.385 4.550 -0.000 0.000 0.288 110 Y C 2.303 178.196 175.900 -0.013 0.000 1.146 110 Y CA 1.407 59.509 58.100 0.003 0.000 1.164 110 Y CB -0.205 38.250 38.460 -0.009 0.000 0.982 110 Y HN 0.058 nan 8.280 nan 0.000 0.515 111 A N 0.067 122.972 122.820 0.142 0.000 1.898 111 A HA -0.111 4.209 4.320 -0.000 0.000 0.216 111 A C 2.394 179.963 177.584 -0.025 0.000 1.181 111 A CA 1.624 53.703 52.037 0.071 0.000 0.620 111 A CB -1.424 17.619 19.000 0.073 0.000 0.819 111 A HN 0.547 nan 8.150 nan 0.000 0.442 112 A N -0.327 122.438 122.820 -0.092 0.000 1.883 112 A HA -0.188 4.132 4.320 -0.000 0.000 0.217 112 A C 1.956 179.466 177.584 -0.123 0.000 1.186 112 A CA 1.840 53.771 52.037 -0.176 0.000 0.624 112 A CB -0.399 18.266 19.000 -0.558 0.000 0.822 112 A HN 0.462 nan 8.150 nan 0.000 0.444 113 E N -0.885 119.242 120.200 -0.121 0.000 2.230 113 E HA -0.097 4.253 4.350 -0.000 0.000 0.192 113 E C 1.920 178.415 176.600 -0.174 0.000 0.987 113 E CA 1.167 57.503 56.400 -0.106 0.000 0.841 113 E CB -0.161 29.478 29.700 -0.102 0.000 0.783 113 E HN 0.772 nan 8.360 nan 0.000 0.481 114 E N 0.641 120.713 120.200 -0.214 0.000 2.046 114 E HA -0.074 4.276 4.350 -0.000 0.000 0.190 114 E C 2.057 178.580 176.600 -0.129 0.000 0.982 114 E CA 1.419 57.709 56.400 -0.183 0.000 0.800 114 E CB -0.553 29.079 29.700 -0.112 0.000 0.756 114 E HN 0.201 nan 8.360 nan 0.000 0.449 115 G N 0.765 109.512 108.800 -0.089 0.000 2.422 115 G HA2 -0.182 3.778 3.960 -0.000 0.000 0.218 115 G HA3 -0.182 3.778 3.960 -0.000 0.000 0.218 115 G C 1.472 176.272 174.900 -0.167 0.000 1.140 115 G CA 1.018 46.074 45.100 -0.074 0.000 0.775 115 G HN 0.404 nan 8.290 nan 0.000 0.545 116 L N -1.678 119.462 121.223 -0.139 0.000 2.376 116 L HA 0.358 4.698 4.340 -0.000 0.000 0.219 116 L C 1.936 178.603 176.870 -0.338 0.000 1.133 116 L CA 1.025 55.751 54.840 -0.190 0.000 0.816 116 L CB -0.093 41.947 42.059 -0.031 0.000 0.933 116 L HN -0.031 nan 8.230 nan 0.000 0.449 117 R N -0.565 119.772 120.500 -0.271 0.000 2.586 117 R HA 0.336 4.675 4.340 -0.000 0.000 0.306 117 R C -0.167 175.981 176.300 -0.254 0.000 1.079 117 R CA -0.439 55.523 56.100 -0.230 0.000 1.083 117 R CB 0.041 30.247 30.300 -0.157 0.000 1.306 117 R HN 0.228 nan 8.270 nan 0.000 0.567 118 M N 1.170 120.542 119.600 -0.379 0.000 2.200 118 M HA 0.100 4.580 4.480 -0.000 0.000 0.355 118 M C -0.332 175.824 176.300 -0.240 0.000 1.283 118 M CA 0.682 55.812 55.300 -0.284 0.000 1.124 118 M CB 0.846 33.279 32.600 -0.278 0.000 1.625 118 M HN 0.018 nan 8.290 nan 0.000 0.463 119 E N 0.924 121.042 120.200 -0.136 0.000 2.299 119 E HA 0.727 5.077 4.350 -0.000 0.000 0.265 119 E C -0.175 176.396 176.600 -0.049 0.000 0.911 119 E CA -0.883 55.464 56.400 -0.089 0.000 0.789 119 E CB 1.598 31.255 29.700 -0.071 0.000 1.246 119 E HN 0.797 nan 8.360 nan 0.000 0.427 120 G N 0.452 109.238 108.800 -0.024 0.000 2.642 120 G HA2 0.528 4.488 3.960 -0.000 0.000 0.291 120 G HA3 0.528 4.488 3.960 -0.000 0.000 0.291 120 G C -0.895 174.004 174.900 -0.003 0.000 1.345 120 G CA -0.508 44.590 45.100 -0.004 0.000 1.043 120 G HN 0.559 nan 8.290 nan 0.000 0.528 121 E N -1.808 118.395 120.200 0.005 0.000 2.367 121 E HA 0.570 4.920 4.350 -0.000 0.000 0.273 121 E C -1.691 174.914 176.600 0.008 0.000 0.903 121 E CA -0.956 55.446 56.400 0.004 0.000 0.764 121 E CB 2.557 32.258 29.700 0.001 0.000 1.252 121 E HN 0.210 nan 8.360 nan 0.000 0.446 122 V N 2.444 122.360 119.914 0.004 0.000 2.409 122 V HA 0.343 4.463 4.120 -0.000 0.000 0.291 122 V C -0.387 175.700 176.094 -0.011 0.000 1.020 122 V CA -0.685 61.614 62.300 -0.001 0.000 0.848 122 V CB 0.839 32.663 31.823 0.002 0.000 0.990 122 V HN 0.530 nan 8.190 nan 0.000 0.430 123 L N 4.034 125.244 121.223 -0.021 0.000 2.331 123 L HA 0.656 4.996 4.340 -0.000 0.000 0.275 123 L C -0.008 176.840 176.870 -0.037 0.000 1.022 123 L CA -0.685 54.143 54.840 -0.021 0.000 0.812 123 L CB 1.690 43.739 42.059 -0.018 0.000 1.257 123 L HN 0.497 nan 8.230 nan 0.000 0.435 124 E N 1.459 121.645 120.200 -0.022 0.000 2.156 124 E HA 0.178 4.528 4.350 -0.000 0.000 0.279 124 E C 0.707 177.304 176.600 -0.005 0.000 0.965 124 E CA -0.268 56.116 56.400 -0.028 0.000 0.789 124 E CB 2.043 31.735 29.700 -0.013 0.000 1.098 124 E HN 0.818 nan 8.360 nan 0.000 0.397 125 G N 2.765 111.552 108.800 -0.021 0.000 2.448 125 G HA2 -0.218 3.742 3.960 -0.000 0.000 0.219 125 G HA3 -0.218 3.742 3.960 -0.000 0.000 0.219 125 G C 1.266 176.199 174.900 0.055 0.000 1.127 125 G CA 0.700 45.809 45.100 0.014 0.000 0.766 125 G HN 0.583 nan 8.290 nan 0.000 0.552 126 G N 0.253 109.068 108.800 0.024 0.000 2.559 126 G HA2 0.015 3.975 3.960 -0.000 0.000 0.216 126 G HA3 0.015 3.975 3.960 -0.000 0.000 0.216 126 G C 1.853 176.770 174.900 0.028 0.000 1.126 126 G CA 1.072 46.185 45.100 0.021 0.000 0.778 126 G HN 0.408 nan 8.290 nan 0.000 0.543 127 S N -0.459 115.272 115.700 0.052 0.000 2.414 127 S HA 0.078 4.548 4.470 -0.000 0.000 0.227 127 S C 1.651 176.297 174.600 0.076 0.000 1.022 127 S CA 0.333 58.566 58.200 0.054 0.000 0.958 127 S CB -0.137 63.106 63.200 0.071 0.000 0.797 127 S HN 0.440 nan 8.310 nan 0.000 0.493 128 F N 1.865 121.805 119.950 -0.017 0.000 2.383 128 F HA 0.260 4.787 4.527 -0.000 0.000 0.287 128 F C 0.616 176.408 175.800 -0.013 0.000 1.069 128 F CA 0.248 58.240 58.000 -0.014 0.000 1.402 128 F CB 0.551 39.543 39.000 -0.014 0.000 1.116 128 F HN 0.107 nan 8.300 nan 0.000 0.549 129 E N -0.572 119.707 120.200 0.131 0.000 2.308 129 E HA 0.505 4.855 4.350 -0.000 0.000 0.275 129 E C 0.060 176.679 176.600 0.033 0.000 0.890 129 E CA -0.217 56.216 56.400 0.055 0.000 0.754 129 E CB 1.781 31.565 29.700 0.140 0.000 1.207 129 E HN 0.061 nan 8.360 nan 0.000 0.426 130 A N 3.661 126.481 122.820 0.001 0.000 1.892 130 A HA -0.184 4.136 4.320 -0.000 0.000 0.218 130 A C 2.227 179.816 177.584 0.007 0.000 1.188 130 A CA 2.307 54.343 52.037 -0.001 0.000 0.631 130 A CB -1.105 17.888 19.000 -0.010 0.000 0.822 130 A HN 0.899 nan 8.150 nan 0.000 0.447 131 A N -0.974 121.854 122.820 0.013 0.000 2.076 131 A HA 0.003 4.323 4.320 -0.000 0.000 0.220 131 A C 1.978 179.571 177.584 0.015 0.000 1.160 131 A CA 1.776 53.822 52.037 0.014 0.000 0.653 131 A CB -0.483 18.529 19.000 0.019 0.000 0.801 131 A HN 0.429 nan 8.150 nan 0.000 0.455 132 S N -0.575 115.139 115.700 0.024 0.000 2.582 132 S HA 0.067 4.537 4.470 -0.000 0.000 0.234 132 S C 1.443 176.042 174.600 -0.001 0.000 0.961 132 S CA 0.286 58.495 58.200 0.015 0.000 0.953 132 S CB 0.075 63.294 63.200 0.031 0.000 0.800 132 S HN 0.835 nan 8.310 nan 0.000 0.471 133 K N 1.583 121.982 120.400 -0.002 0.000 2.281 133 K HA -0.050 4.270 4.320 -0.000 0.000 0.203 133 K C 1.091 177.674 176.600 -0.028 0.000 1.046 133 K CA 1.117 57.397 56.287 -0.011 0.000 0.938 133 K CB -0.041 32.454 32.500 -0.007 0.000 0.737 133 K HN 0.001 nan 8.250 nan 0.000 0.458 134 K N 1.174 121.554 120.400 -0.033 0.000 2.374 134 K HA 0.106 4.426 4.320 -0.000 0.000 0.196 134 K C 0.014 176.552 176.600 -0.104 0.000 1.023 134 K CA 0.141 56.398 56.287 -0.051 0.000 1.103 134 K CB 0.563 33.049 32.500 -0.024 0.000 0.848 134 K HN 0.176 nan 8.250 nan 0.000 0.528 135 K N 2.055 122.393 120.400 -0.103 0.000 2.201 135 K HA 0.297 4.617 4.320 -0.000 0.000 0.278 135 K C -0.262 176.213 176.600 -0.209 0.000 1.027 135 K CA -0.358 55.834 56.287 -0.159 0.000 0.909 135 K CB 0.556 33.003 32.500 -0.088 0.000 1.062 135 K HN 0.038 nan 8.250 nan 0.000 0.465 136 I N -0.056 120.295 120.570 -0.365 0.000 2.785 136 I HA 0.668 4.838 4.170 -0.000 0.000 0.302 136 I C -1.080 174.880 176.117 -0.262 0.000 1.069 136 I CA -1.171 59.950 61.300 -0.298 0.000 1.045 136 I CB 2.347 40.147 38.000 -0.333 0.000 1.236 136 I HN 0.531 nan 8.210 nan 0.000 0.429 137 A N 4.511 127.256 122.820 -0.126 0.000 2.287 137 A HA 0.705 5.025 4.320 -0.000 0.000 0.317 137 A C -0.681 176.898 177.584 -0.008 0.000 1.220 137 A CA -0.593 51.413 52.037 -0.051 0.000 0.835 137 A CB 1.285 20.265 19.000 -0.034 0.000 1.180 137 A HN 0.557 nan 8.150 nan 0.000 0.500 138 V N 4.214 124.160 119.914 0.053 0.000 2.318 138 V HA 0.277 4.397 4.120 -0.000 0.000 0.271 138 V C -0.252 175.877 176.094 0.057 0.000 1.030 138 V CA -0.287 62.059 62.300 0.077 0.000 0.844 138 V CB 1.051 32.967 31.823 0.155 0.000 1.015 138 V HN 0.606 nan 8.190 nan 0.000 0.460 139 V N 6.735 126.670 119.914 0.035 0.000 2.347 139 V HA 0.553 4.673 4.120 -0.000 0.000 0.280 139 V C 0.158 176.269 176.094 0.029 0.000 1.021 139 V CA -0.675 61.642 62.300 0.029 0.000 0.847 139 V CB 1.262 33.095 31.823 0.017 0.000 0.990 139 V HN 0.803 nan 8.190 nan 0.000 0.444 140 R N 3.626 124.147 120.500 0.035 0.000 2.740 140 R HA 0.614 4.954 4.340 -0.000 0.000 0.282 140 R C -0.462 175.864 176.300 0.045 0.000 0.969 140 R CA -0.944 55.181 56.100 0.041 0.000 0.918 140 R CB 2.372 32.703 30.300 0.051 0.000 1.175 140 R HN 0.593 nan 8.270 nan 0.000 0.464 141 R N 1.717 122.249 120.500 0.053 0.000 2.539 141 R HA 0.209 4.549 4.340 -0.000 0.000 0.275 141 R C -0.262 176.085 176.300 0.078 0.000 1.077 141 R CA -0.038 56.097 56.100 0.059 0.000 1.097 141 R CB 0.859 31.192 30.300 0.056 0.000 1.018 141 R HN 0.603 nan 8.270 nan 0.000 0.483 142 E N 2.008 122.244 120.200 0.059 0.000 2.393 142 E HA 0.362 4.712 4.350 -0.000 0.000 0.273 142 E C -2.454 174.171 176.600 0.042 0.000 0.918 142 E CA -2.056 54.371 56.400 0.045 0.000 0.773 142 E CB 2.926 32.644 29.700 0.031 0.000 1.275 142 E HN 0.325 nan 8.360 nan 0.000 0.451 143 P HA -0.009 nan 4.420 nan 0.000 0.274 143 P C 0.800 178.123 177.300 0.040 0.000 1.256 143 P CA -0.118 63.004 63.100 0.036 0.000 0.795 143 P CB 0.790 32.515 31.700 0.042 0.000 1.038 144 V N -2.777 117.162 119.914 0.043 0.000 3.052 144 V HA 0.351 4.471 4.120 -0.000 0.000 0.254 144 V C 1.187 177.313 176.094 0.054 0.000 1.100 144 V CA 1.476 63.816 62.300 0.066 0.000 1.112 144 V CB -1.089 30.808 31.823 0.124 0.000 0.738 144 V HN 0.873 nan 8.190 nan 0.000 0.469 145 G N 0.812 109.638 108.800 0.044 0.000 2.145 145 G HA2 -0.054 3.906 3.960 -0.000 0.000 0.203 145 G HA3 -0.054 3.906 3.960 -0.000 0.000 0.203 145 G C -0.755 174.157 174.900 0.019 0.000 1.096 145 G CA -0.155 44.963 45.100 0.029 0.000 1.282 145 G HN 0.799 nan 8.290 nan 0.000 0.474 146 L N 1.992 123.208 121.223 -0.012 0.000 2.264 146 L HA 0.794 5.134 4.340 -0.000 0.000 0.289 146 L C -0.059 176.805 176.870 -0.010 0.000 1.044 146 L CA -0.827 53.986 54.840 -0.045 0.000 0.807 146 L CB 1.560 43.539 42.059 -0.133 0.000 1.192 146 L HN 0.543 nan 8.230 nan 0.000 0.425 147 V N 6.297 126.220 119.914 0.015 0.000 2.394 147 V HA 0.336 4.456 4.120 -0.000 0.000 0.282 147 V C -0.167 175.979 176.094 0.087 0.000 1.031 147 V CA -0.648 61.698 62.300 0.077 0.000 0.881 147 V CB 1.395 33.237 31.823 0.032 0.000 0.982 147 V HN 0.689 nan 8.190 nan 0.000 0.451 148 L N 5.741 127.045 121.223 0.134 0.000 2.260 148 L HA 0.755 5.095 4.340 -0.000 0.000 0.289 148 L C 0.318 177.324 176.870 0.227 0.000 1.057 148 L CA -0.058 54.881 54.840 0.165 0.000 0.811 148 L CB 0.641 42.788 42.059 0.148 0.000 1.184 148 L HN 0.733 nan 8.230 nan 0.000 0.429 149 A N 6.974 129.938 122.820 0.240 0.000 2.288 149 A HA 0.762 5.082 4.320 -0.000 0.000 0.320 149 A C -0.664 177.144 177.584 0.373 0.000 1.217 149 A CA -0.445 51.756 52.037 0.273 0.000 0.840 149 A CB 0.328 19.441 19.000 0.189 0.000 1.179 149 A HN 0.699 nan 8.150 nan 0.000 0.504 150 I N 2.937 123.707 120.570 0.333 0.000 2.410 150 I HA 0.307 4.477 4.170 -0.000 0.000 0.286 150 I C 0.419 176.652 176.117 0.193 0.000 1.009 150 I CA -0.304 61.189 61.300 0.323 0.000 1.111 150 I CB 2.099 40.358 38.000 0.432 0.000 1.262 150 I HN 0.715 nan 8.210 nan 0.000 0.443 151 S N 7.138 122.998 115.700 0.267 0.000 2.690 151 S HA 0.756 5.226 4.470 -0.000 0.000 0.291 151 S C -2.746 171.905 174.600 0.085 0.000 1.138 151 S CA -1.391 56.907 58.200 0.163 0.000 1.013 151 S CB 1.961 65.329 63.200 0.279 0.000 1.053 151 S HN 0.336 nan 8.310 nan 0.000 0.539 152 P HA 0.352 nan 4.420 nan 0.000 0.287 152 P C 0.587 177.945 177.300 0.096 0.000 1.292 152 P CA -0.979 62.144 63.100 0.039 0.000 0.879 152 P CB 0.576 32.245 31.700 -0.053 0.000 1.214 153 F N 1.371 121.403 119.950 0.135 0.000 2.269 153 F HA -0.150 4.377 4.527 0.000 0.000 0.301 153 F C 1.456 177.355 175.800 0.165 0.000 1.082 153 F CA 1.664 59.750 58.000 0.144 0.000 1.360 153 F CB -1.698 37.384 39.000 0.136 0.000 1.041 153 F HN 0.152 nan 8.300 nan 0.000 0.512 154 N N -0.617 117.623 118.700 -0.767 0.000 2.457 154 N HA -0.145 4.595 4.740 -0.000 0.000 0.180 154 N C -0.448 174.746 175.510 -0.527 0.000 1.050 154 N CA 0.898 53.624 53.050 -0.539 0.000 0.906 154 N CB -0.758 37.384 38.487 -0.576 0.000 0.968 154 N HN 0.566 nan 8.380 nan 0.000 0.445 155 Y N -0.287 119.939 120.300 -0.124 0.000 2.640 155 Y HA 0.328 4.878 4.550 0.000 0.000 0.295 155 Y C -1.869 174.019 175.900 -0.019 0.000 1.023 155 Y CA -1.585 56.460 58.100 -0.092 0.000 1.163 155 Y CB 1.642 40.033 38.460 -0.114 0.000 1.145 155 Y HN -0.039 nan 8.280 nan 0.000 0.609 156 P HA -0.164 nan 4.420 nan 0.000 0.219 156 P C 1.195 178.628 177.300 0.221 0.000 1.146 156 P CA 1.391 64.609 63.100 0.196 0.000 0.808 156 P CB 0.720 32.529 31.700 0.182 0.000 0.779 157 V N -0.044 119.961 119.914 0.151 0.000 2.581 157 V HA -0.031 4.089 4.120 -0.000 0.000 0.240 157 V C 2.651 178.767 176.094 0.037 0.000 1.054 157 V CA 1.227 63.590 62.300 0.105 0.000 1.076 157 V CB -1.225 30.650 31.823 0.087 0.000 0.748 157 V HN 0.147 nan 8.190 nan 0.000 0.474 158 N N 0.579 119.310 118.700 0.053 0.000 2.084 158 N HA -0.158 4.582 4.740 -0.000 0.000 0.190 158 N C 1.463 176.929 175.510 -0.074 0.000 1.030 158 N CA 1.318 54.355 53.050 -0.023 0.000 0.849 158 N CB -0.007 38.453 38.487 -0.046 0.000 1.012 158 N HN 0.236 nan 8.380 nan 0.000 0.423 159 L N 0.817 122.015 121.223 -0.040 0.000 2.650 159 L HA 0.130 4.470 4.340 -0.000 0.000 0.235 159 L C 1.686 178.532 176.870 -0.040 0.000 1.149 159 L CA 0.300 55.105 54.840 -0.059 0.000 0.887 159 L CB -0.820 41.219 42.059 -0.033 0.000 1.021 159 L HN 0.158 nan 8.230 nan 0.000 0.441 160 A N -1.045 121.721 122.820 -0.091 0.000 1.938 160 A HA 0.286 4.606 4.320 -0.000 0.000 0.207 160 A C 2.273 179.715 177.584 -0.237 0.000 1.292 160 A CA 0.716 52.573 52.037 -0.300 0.000 0.700 160 A CB -0.950 17.684 19.000 -0.610 0.000 0.947 160 A HN 0.328 nan 8.150 nan 0.000 0.476 161 G N 0.541 109.258 108.800 -0.138 0.000 2.450 161 G HA2 -0.224 3.736 3.960 -0.000 0.000 0.220 161 G HA3 -0.224 3.736 3.960 -0.000 0.000 0.220 161 G C 1.877 176.759 174.900 -0.031 0.000 1.130 161 G CA 1.923 46.994 45.100 -0.048 0.000 0.760 161 G HN 0.885 nan 8.290 nan 0.000 0.557 162 S N -0.100 115.569 115.700 -0.052 0.000 2.447 162 S HA 0.056 4.526 4.470 -0.000 0.000 0.233 162 S C 2.003 176.601 174.600 -0.002 0.000 1.006 162 S CA 1.359 59.540 58.200 -0.033 0.000 0.957 162 S CB -0.046 63.112 63.200 -0.070 0.000 0.773 162 S HN 0.482 nan 8.310 nan 0.000 0.507 163 K N 0.394 120.786 120.400 -0.014 0.000 2.214 163 K HA 0.369 4.689 4.320 -0.000 0.000 0.201 163 K C 1.946 178.545 176.600 -0.001 0.000 1.049 163 K CA 0.645 56.937 56.287 0.009 0.000 0.978 163 K CB -0.166 32.351 32.500 0.028 0.000 0.842 163 K HN 0.316 nan 8.250 nan 0.000 0.474 164 I N 1.512 122.068 120.570 -0.025 0.000 2.202 164 I HA -0.247 3.923 4.170 -0.000 0.000 0.242 164 I C 2.515 178.670 176.117 0.064 0.000 1.091 164 I CA 1.274 62.570 61.300 -0.006 0.000 1.368 164 I CB -0.302 37.645 38.000 -0.087 0.000 1.058 164 I HN 0.118 nan 8.210 nan 0.000 0.410 165 A N 0.980 123.852 122.820 0.087 0.000 1.898 165 A HA -0.051 4.269 4.320 -0.000 0.000 0.216 165 A C -0.034 177.605 177.584 0.091 0.000 1.181 165 A CA 1.416 53.522 52.037 0.114 0.000 0.620 165 A CB -1.794 17.256 19.000 0.083 0.000 0.819 165 A HN 0.253 nan 8.150 nan 0.000 0.442 166 P HA -0.064 nan 4.420 nan 0.000 0.217 166 P C 1.740 179.063 177.300 0.038 0.000 1.150 166 P CA 1.789 64.917 63.100 0.046 0.000 0.832 166 P CB -0.071 31.648 31.700 0.032 0.000 0.787 167 A N -0.381 122.454 122.820 0.025 0.000 1.858 167 A HA -0.159 4.160 4.320 -0.000 0.000 0.216 167 A C 2.222 179.877 177.584 0.118 0.000 1.190 167 A CA 1.458 53.505 52.037 0.016 0.000 0.617 167 A CB -1.633 17.363 19.000 -0.007 0.000 0.827 167 A HN 0.090 nan 8.150 nan 0.000 0.443 168 L N -1.079 120.256 121.223 0.186 0.000 2.056 168 L HA -0.142 4.198 4.340 -0.000 0.000 0.207 168 L C 2.514 179.614 176.870 0.384 0.000 1.078 168 L CA 1.101 56.170 54.840 0.383 0.000 0.749 168 L CB -0.487 41.797 42.059 0.375 0.000 0.901 168 L HN 0.446 nan 8.230 nan 0.000 0.433 169 I N 0.552 121.253 120.570 0.219 0.000 2.264 169 I HA -0.241 3.929 4.170 -0.000 0.000 0.248 169 I C 2.396 178.586 176.117 0.122 0.000 1.111 169 I CA 1.499 62.884 61.300 0.141 0.000 1.382 169 I CB -0.310 37.750 38.000 0.101 0.000 1.060 169 I HN 0.115 nan 8.210 nan 0.000 0.418 170 A N -0.446 122.452 122.820 0.130 0.000 2.167 170 A HA 0.378 4.698 4.320 -0.000 0.000 0.214 170 A C 1.902 179.498 177.584 0.020 0.000 1.151 170 A CA 0.793 52.907 52.037 0.127 0.000 0.735 170 A CB -0.900 18.158 19.000 0.097 0.000 0.802 170 A HN 0.894 nan 8.150 nan 0.000 0.467 171 G N -1.230 107.580 108.800 0.018 0.000 2.168 171 G HA2 -0.182 3.778 3.960 -0.000 0.000 0.197 171 G HA3 -0.182 3.778 3.960 -0.000 0.000 0.197 171 G C -0.104 174.939 174.900 0.239 0.000 0.997 171 G CA -0.047 45.030 45.100 -0.038 0.000 0.658 171 G HN 0.437 nan 8.290 nan 0.000 0.513 172 N N 0.122 118.970 118.700 0.247 0.000 2.445 172 N HA 0.551 5.291 4.740 -0.000 0.000 0.264 172 N C 0.653 176.296 175.510 0.221 0.000 1.227 172 N CA 0.556 53.715 53.050 0.182 0.000 0.963 172 N CB 2.034 40.571 38.487 0.083 0.000 1.188 172 N HN 0.756 nan 8.380 nan 0.000 0.491 173 V N -1.370 118.583 119.914 0.066 0.000 2.975 173 V HA 0.623 4.743 4.120 -0.000 0.000 0.318 173 V C -0.118 175.938 176.094 -0.064 0.000 1.077 173 V CA -0.775 61.474 62.300 -0.084 0.000 1.000 173 V CB 1.821 33.567 31.823 -0.129 0.000 1.066 173 V HN 0.365 nan 8.190 nan 0.000 0.452 174 I N 1.666 122.171 120.570 -0.109 0.000 2.646 174 I HA 0.794 4.964 4.170 -0.000 0.000 0.299 174 I C 0.065 176.099 176.117 -0.139 0.000 1.036 174 I CA -0.617 60.639 61.300 -0.074 0.000 1.074 174 I CB 1.819 39.810 38.000 -0.015 0.000 1.258 174 I HN 1.035 nan 8.210 nan 0.000 0.430 175 A N 5.947 128.744 122.820 -0.038 0.000 2.332 175 A HA 0.601 4.921 4.320 -0.000 0.000 0.300 175 A C -1.290 176.335 177.584 0.069 0.000 1.153 175 A CA -0.414 51.604 52.037 -0.031 0.000 0.764 175 A CB 0.793 19.901 19.000 0.180 0.000 1.174 175 A HN 0.431 nan 8.150 nan 0.000 0.467 176 F N 3.260 123.083 119.950 -0.212 0.000 2.385 176 F HA 0.647 5.174 4.527 0.000 0.000 0.360 176 F C 0.013 175.798 175.800 -0.025 0.000 1.122 176 F CA -1.433 56.517 58.000 -0.083 0.000 1.090 176 F CB 1.546 40.504 39.000 -0.069 0.000 1.150 176 F HN 0.449 nan 8.300 nan 0.000 0.472 177 K N 9.173 129.507 120.400 -0.110 0.000 2.404 177 K HA 0.533 4.853 4.320 -0.000 0.000 0.257 177 K C -3.005 173.368 176.600 -0.379 0.000 1.026 177 K CA -2.113 53.994 56.287 -0.300 0.000 0.951 177 K CB 0.919 33.404 32.500 -0.024 0.000 1.203 177 K HN 0.256 nan 8.250 nan 0.000 0.446 178 P HA 0.207 nan 4.420 nan 0.000 0.275 178 P C -2.635 174.648 177.300 -0.027 0.000 1.266 178 P CA -1.512 61.432 63.100 -0.260 0.000 0.793 178 P CB -0.237 31.306 31.700 -0.261 0.000 1.074 179 P HA 0.059 nan 4.420 nan 0.000 0.274 179 P C 0.614 177.958 177.300 0.073 0.000 1.237 179 P CA 0.160 63.328 63.100 0.114 0.000 0.793 179 P CB 0.187 32.002 31.700 0.192 0.000 0.977 180 T N -0.185 114.409 114.554 0.067 0.000 2.674 180 T HA -0.172 4.178 4.350 -0.000 0.000 0.265 180 T C 0.975 175.704 174.700 0.049 0.000 1.039 180 T CA 1.512 63.637 62.100 0.042 0.000 1.150 180 T CB -0.511 68.382 68.868 0.042 0.000 0.864 180 T HN 0.428 nan 8.240 nan 0.000 0.427 181 Q N 0.934 120.778 119.800 0.073 0.000 2.402 181 Q HA 0.436 4.776 4.340 -0.000 0.000 0.238 181 Q C 0.653 176.732 176.000 0.131 0.000 1.126 181 Q CA 0.416 56.266 55.803 0.079 0.000 0.904 181 Q CB -0.235 28.533 28.738 0.050 0.000 1.357 181 Q HN 0.486 nan 8.270 nan 0.000 0.491 182 G N 1.662 110.516 108.800 0.090 0.000 2.273 182 G HA2 -0.190 3.770 3.960 -0.000 0.000 0.162 182 G HA3 -0.190 3.770 3.960 -0.000 0.000 0.162 182 G C 1.033 175.966 174.900 0.055 0.000 1.006 182 G CA 0.148 45.309 45.100 0.102 0.000 0.704 182 G HN 0.482 nan 8.290 nan 0.000 0.487 183 S N 0.031 115.737 115.700 0.010 0.000 2.399 183 S HA 0.074 4.544 4.470 -0.000 0.000 0.231 183 S C 2.360 176.911 174.600 -0.082 0.000 1.022 183 S CA 1.313 59.491 58.200 -0.036 0.000 0.983 183 S CB -0.173 63.001 63.200 -0.043 0.000 0.803 183 S HN 0.510 nan 8.310 nan 0.000 0.480 184 I N 1.010 121.482 120.570 -0.164 0.000 2.133 184 I HA -0.170 4.000 4.170 -0.000 0.000 0.238 184 I C 2.417 178.410 176.117 -0.207 0.000 1.074 184 I CA 1.028 62.092 61.300 -0.393 0.000 1.342 184 I CB -0.501 37.158 38.000 -0.568 0.000 1.053 184 I HN 0.193 nan 8.210 nan 0.000 0.404 185 S N 0.895 116.550 115.700 -0.075 0.000 2.387 185 S HA -0.196 4.274 4.470 -0.000 0.000 0.230 185 S C 2.109 176.785 174.600 0.127 0.000 1.035 185 S CA 1.471 59.688 58.200 0.028 0.000 1.014 185 S CB -0.974 62.260 63.200 0.057 0.000 0.836 185 S HN 0.677 nan 8.310 nan 0.000 0.466 186 G N 1.306 110.206 108.800 0.167 0.000 2.432 186 G HA2 -0.090 3.870 3.960 -0.000 0.000 0.219 186 G HA3 -0.090 3.870 3.960 -0.000 0.000 0.219 186 G C 1.267 176.382 174.900 0.360 0.000 1.135 186 G CA 0.480 45.791 45.100 0.352 0.000 0.767 186 G HN 0.462 nan 8.290 nan 0.000 0.550 187 L N -0.177 121.166 121.223 0.201 0.000 2.270 187 L HA 0.189 4.529 4.340 -0.000 0.000 0.210 187 L C 2.722 179.785 176.870 0.321 0.000 1.104 187 L CA 0.074 55.092 54.840 0.297 0.000 0.804 187 L CB -0.205 41.998 42.059 0.241 0.000 0.937 187 L HN 0.183 nan 8.230 nan 0.000 0.450 188 L N -0.476 120.866 121.223 0.199 0.000 2.093 188 L HA -0.211 4.129 4.340 -0.000 0.000 0.208 188 L C 2.527 179.527 176.870 0.216 0.000 1.085 188 L CA 0.701 55.648 54.840 0.179 0.000 0.755 188 L CB -0.316 41.806 42.059 0.106 0.000 0.904 188 L HN 0.278 nan 8.230 nan 0.000 0.435 189 L N 0.354 121.734 121.223 0.262 0.000 2.093 189 L HA -0.101 4.239 4.340 -0.000 0.000 0.208 189 L C 2.600 179.687 176.870 0.362 0.000 1.085 189 L CA 1.934 56.935 54.840 0.268 0.000 0.755 189 L CB -0.706 41.533 42.059 0.300 0.000 0.904 189 L HN 0.114 nan 8.230 nan 0.000 0.435 190 A N -0.823 122.293 122.820 0.494 0.000 1.972 190 A HA -0.231 4.089 4.320 -0.000 0.000 0.219 190 A C 2.172 180.002 177.584 0.411 0.000 1.169 190 A CA 1.740 54.126 52.037 0.582 0.000 0.635 190 A CB -0.626 18.795 19.000 0.701 0.000 0.810 190 A HN 0.623 nan 8.150 nan 0.000 0.446 191 E N -0.387 120.080 120.200 0.446 0.000 2.118 191 E HA -0.150 4.200 4.350 -0.000 0.000 0.195 191 E C 2.233 178.923 176.600 0.150 0.000 0.992 191 E CA 1.008 57.622 56.400 0.358 0.000 0.804 191 E CB -0.247 29.575 29.700 0.203 0.000 0.741 191 E HN 0.651 nan 8.360 nan 0.000 0.458 192 A N 0.085 122.945 122.820 0.067 0.000 2.015 192 A HA -0.116 4.204 4.320 -0.000 0.000 0.219 192 A C 1.754 179.210 177.584 -0.214 0.000 1.163 192 A CA 0.861 52.845 52.037 -0.089 0.000 0.646 192 A CB -0.489 18.411 19.000 -0.167 0.000 0.806 192 A HN 0.180 nan 8.150 nan 0.000 0.448 193 F N -0.150 119.651 119.950 -0.247 0.000 2.234 193 F HA 0.039 4.566 4.527 -0.000 0.000 0.296 193 F C 2.695 178.334 175.800 -0.268 0.000 1.089 193 F CA 0.883 58.664 58.000 -0.366 0.000 1.343 193 F CB -0.172 38.313 39.000 -0.859 0.000 1.040 193 F HN 0.257 nan 8.300 nan 0.000 0.498 194 A N -0.256 122.451 122.820 -0.189 0.000 1.873 194 A HA -0.217 4.103 4.320 -0.000 0.000 0.215 194 A C 2.105 179.689 177.584 -0.000 0.000 1.186 194 A CA 1.752 53.603 52.037 -0.310 0.000 0.616 194 A CB -0.824 17.875 19.000 -0.502 0.000 0.823 194 A HN 0.403 nan 8.150 nan 0.000 0.442 195 E N -0.160 120.062 120.200 0.035 0.000 2.204 195 E HA -0.073 4.277 4.350 -0.000 0.000 0.194 195 E C 1.903 178.536 176.600 0.055 0.000 0.989 195 E CA 0.802 57.238 56.400 0.060 0.000 0.824 195 E CB -0.196 29.531 29.700 0.045 0.000 0.756 195 E HN 0.544 nan 8.360 nan 0.000 0.477 196 A N 0.217 123.053 122.820 0.027 0.000 2.119 196 A HA 0.102 4.422 4.320 -0.000 0.000 0.217 196 A C 1.809 179.513 177.584 0.201 0.000 1.153 196 A CA 1.108 53.194 52.037 0.082 0.000 0.692 196 A CB -0.545 18.469 19.000 0.023 0.000 0.799 196 A HN 0.477 nan 8.150 nan 0.000 0.458 197 G N -1.669 107.223 108.800 0.152 0.000 2.149 197 G HA2 -0.168 3.792 3.960 -0.000 0.000 0.235 197 G HA3 -0.168 3.792 3.960 -0.000 0.000 0.235 197 G C -0.089 174.867 174.900 0.093 0.000 1.018 197 G CA 0.115 45.325 45.100 0.185 0.000 0.728 197 G HN 0.375 nan 8.290 nan 0.000 0.508 198 L N 1.024 122.177 121.223 -0.117 0.000 2.514 198 L HA 0.329 4.669 4.340 -0.000 0.000 0.280 198 L C -1.133 175.582 176.870 -0.259 0.000 1.223 198 L CA -0.617 53.910 54.840 -0.521 0.000 0.864 198 L CB -0.054 41.761 42.059 -0.405 0.000 1.118 198 L HN 0.018 nan 8.230 nan 0.000 0.494 199 P HA 0.079 nan 4.420 nan 0.000 0.268 199 P C -0.900 176.331 177.300 -0.114 0.000 1.208 199 P CA -0.403 62.646 63.100 -0.085 0.000 0.777 199 P CB 0.401 32.104 31.700 0.005 0.000 0.875 200 A N 2.163 124.941 122.820 -0.070 0.000 2.567 200 A HA 0.368 4.688 4.320 -0.000 0.000 0.240 200 A C 1.601 179.081 177.584 -0.173 0.000 1.053 200 A CA 0.909 52.871 52.037 -0.124 0.000 0.755 200 A CB -1.527 17.412 19.000 -0.102 0.000 0.978 200 A HN 0.898 nan 8.150 nan 0.000 0.507 201 G N 1.130 109.787 108.800 -0.239 0.000 2.253 201 G HA2 -0.281 3.679 3.960 -0.000 0.000 0.251 201 G HA3 -0.281 3.679 3.960 -0.000 0.000 0.251 201 G C 1.000 175.742 174.900 -0.264 0.000 0.998 201 G CA 0.637 45.585 45.100 -0.253 0.000 0.621 201 G HN 1.231 nan 8.290 nan 0.000 0.524 202 V N -0.343 119.383 119.914 -0.314 0.000 2.358 202 V HA 0.265 4.385 4.120 -0.000 0.000 0.246 202 V C 1.145 177.019 176.094 -0.367 0.000 1.047 202 V CA 2.153 64.144 62.300 -0.515 0.000 1.035 202 V CB -0.222 31.028 31.823 -0.955 0.000 0.658 202 V HN 0.563 nan 8.190 nan 0.000 0.452 203 F N 1.356 121.088 119.950 -0.363 0.000 2.477 203 F HA 0.549 5.076 4.527 -0.000 0.000 0.335 203 F C -0.358 175.360 175.800 -0.138 0.000 1.130 203 F CA -0.790 57.037 58.000 -0.289 0.000 0.948 203 F CB 0.947 39.730 39.000 -0.362 0.000 1.154 203 F HN 0.034 nan 8.300 nan 0.000 0.439 204 N N 2.783 120.892 118.700 -0.984 0.000 2.357 204 N HA 0.433 5.173 4.740 -0.000 0.000 0.284 204 N C -1.327 173.736 175.510 -0.745 0.000 1.236 204 N CA -0.679 51.938 53.050 -0.720 0.000 0.774 204 N CB 2.326 40.562 38.487 -0.418 0.000 1.534 204 N HN 0.599 nan 8.380 nan 0.000 0.478 205 T N -1.989 112.313 114.554 -0.419 0.000 2.932 205 T HA 0.771 5.121 4.350 -0.000 0.000 0.289 205 T C -0.264 174.315 174.700 -0.203 0.000 1.039 205 T CA -0.630 61.309 62.100 -0.268 0.000 1.024 205 T CB 1.143 69.942 68.868 -0.115 0.000 1.090 205 T HN 0.358 nan 8.240 nan 0.000 0.496 206 I N 2.075 122.521 120.570 -0.206 0.000 2.534 206 I HA 0.476 4.646 4.170 -0.000 0.000 0.288 206 I C -0.162 175.871 176.117 -0.140 0.000 1.077 206 I CA -0.758 60.450 61.300 -0.154 0.000 1.051 206 I CB 2.552 40.465 38.000 -0.145 0.000 1.234 206 I HN 1.032 nan 8.210 nan 0.000 0.425 207 T N 1.649 116.154 114.554 -0.082 0.000 2.907 207 T HA 0.966 5.316 4.350 -0.000 0.000 0.292 207 T C -0.288 174.395 174.700 -0.028 0.000 1.043 207 T CA -0.848 61.218 62.100 -0.057 0.000 1.003 207 T CB 2.354 71.204 68.868 -0.030 0.000 1.084 207 T HN 1.075 nan 8.240 nan 0.000 0.483 208 G N 1.040 109.833 108.800 -0.013 0.000 2.350 208 G HA2 0.329 4.289 3.960 -0.000 0.000 0.304 208 G HA3 0.329 4.289 3.960 -0.000 0.000 0.304 208 G C -1.580 173.329 174.900 0.015 0.000 1.421 208 G CA -1.280 43.820 45.100 0.001 0.000 0.934 208 G HN 0.778 nan 8.290 nan 0.000 0.632 209 R N 0.530 121.043 120.500 0.021 0.000 2.316 209 R HA 0.347 4.687 4.340 -0.000 0.000 0.314 209 R C 1.772 178.097 176.300 0.042 0.000 1.069 209 R CA 0.332 56.452 56.100 0.032 0.000 0.959 209 R CB 1.223 31.540 30.300 0.029 0.000 0.987 209 R HN 0.853 nan 8.270 nan 0.000 0.446 210 G N 1.769 110.604 108.800 0.057 0.000 2.503 210 G HA2 -0.360 3.600 3.960 -0.000 0.000 0.221 210 G HA3 -0.360 3.600 3.960 -0.000 0.000 0.221 210 G C 1.316 176.251 174.900 0.058 0.000 1.131 210 G CA 1.281 46.424 45.100 0.072 0.000 0.756 210 G HN 0.655 nan 8.290 nan 0.000 0.572 211 S N -0.502 115.226 115.700 0.046 0.000 2.595 211 S HA 0.098 4.568 4.470 -0.000 0.000 0.235 211 S C 1.556 176.175 174.600 0.031 0.000 0.974 211 S CA 1.511 59.732 58.200 0.035 0.000 0.942 211 S CB 0.042 63.259 63.200 0.027 0.000 0.766 211 S HN 0.629 nan 8.310 nan 0.000 0.536 212 E N 0.223 120.444 120.200 0.035 0.000 2.441 212 E HA 0.291 4.641 4.350 -0.000 0.000 0.207 212 E C 1.482 178.105 176.600 0.038 0.000 0.803 212 E CA 0.511 56.927 56.400 0.027 0.000 1.240 212 E CB 0.350 30.058 29.700 0.013 0.000 1.233 212 E HN 0.718 nan 8.360 nan 0.000 0.590 213 I N -2.786 117.817 120.570 0.055 0.000 4.139 213 I HA 0.440 4.610 4.170 -0.000 0.000 0.335 213 I C 1.889 178.093 176.117 0.145 0.000 1.327 213 I CA -0.037 61.321 61.300 0.097 0.000 1.112 213 I CB 0.387 38.425 38.000 0.063 0.000 1.058 213 I HN 0.007 nan 8.210 nan 0.000 0.396 214 G N 2.292 111.153 108.800 0.102 0.000 2.586 214 G HA2 -0.304 3.656 3.960 -0.000 0.000 0.218 214 G HA3 -0.304 3.656 3.960 -0.000 0.000 0.218 214 G C 1.062 176.017 174.900 0.092 0.000 1.216 214 G CA 1.873 47.029 45.100 0.093 0.000 0.786 214 G HN 0.379 nan 8.290 nan 0.000 0.583 215 D N -0.869 119.580 120.400 0.081 0.000 2.144 215 D HA -0.098 4.542 4.640 -0.000 0.000 0.199 215 D C 1.938 178.295 176.300 0.096 0.000 0.984 215 D CA 0.789 54.826 54.000 0.062 0.000 0.834 215 D CB -0.387 40.444 40.800 0.052 0.000 0.955 215 D HN 0.406 nan 8.370 nan 0.000 0.465 216 Y N 1.871 122.202 120.300 0.051 0.000 2.070 216 Y HA -0.220 4.330 4.550 -0.000 0.000 0.280 216 Y C 2.243 178.243 175.900 0.167 0.000 1.148 216 Y CA 1.708 59.858 58.100 0.083 0.000 1.125 216 Y CB -0.491 38.008 38.460 0.065 0.000 0.975 216 Y HN 0.053 nan 8.280 nan 0.000 0.492 217 I N -2.150 118.555 120.570 0.224 0.000 2.335 217 I HA -0.212 3.958 4.170 -0.000 0.000 0.251 217 I C 1.748 177.982 176.117 0.196 0.000 1.129 217 I CA 1.728 63.182 61.300 0.257 0.000 1.402 217 I CB -0.932 37.204 38.000 0.226 0.000 1.069 217 I HN 0.110 nan 8.210 nan 0.000 0.424 218 V N 1.446 121.415 119.914 0.091 0.000 2.407 218 V HA -0.142 3.978 4.120 -0.000 0.000 0.245 218 V C 2.456 178.538 176.094 -0.020 0.000 1.041 218 V CA 1.882 64.199 62.300 0.029 0.000 1.040 218 V CB -0.705 31.115 31.823 -0.006 0.000 0.671 218 V HN 0.415 nan 8.190 nan 0.000 0.455 219 E N -1.247 118.924 120.200 -0.047 0.000 2.274 219 E HA -0.115 4.235 4.350 -0.000 0.000 0.194 219 E C 0.918 177.451 176.600 -0.111 0.000 0.996 219 E CA -0.035 56.314 56.400 -0.085 0.000 0.840 219 E CB -0.068 29.578 29.700 -0.091 0.000 0.772 219 E HN 0.535 nan 8.360 nan 0.000 0.491 220 H N 1.452 120.379 119.070 -0.239 0.000 3.140 220 H HA -0.076 4.480 4.556 -0.000 0.000 0.316 220 H C 1.005 176.215 175.328 -0.196 0.000 0.986 220 H CA 0.660 56.563 56.048 -0.241 0.000 1.397 220 H CB 0.815 30.500 29.762 -0.127 0.000 1.377 220 H HN 0.091 nan 8.280 nan 0.000 0.585 221 Q N 3.872 123.704 119.800 0.054 0.000 2.472 221 Q HA 0.014 4.354 4.340 -0.000 0.000 0.208 221 Q C 1.922 177.944 176.000 0.036 0.000 0.958 221 Q CA 0.842 56.659 55.803 0.024 0.000 0.932 221 Q CB 0.013 28.734 28.738 -0.029 0.000 1.007 221 Q HN 0.719 nan 8.270 nan 0.000 0.508 222 A N 0.012 122.895 122.820 0.105 0.000 2.014 222 A HA -0.003 4.317 4.320 -0.000 0.000 0.218 222 A C 1.083 178.485 177.584 -0.304 0.000 1.163 222 A CA 0.220 52.163 52.037 -0.156 0.000 0.652 222 A CB 0.057 18.850 19.000 -0.344 0.000 0.808 222 A HN 0.127 nan 8.150 nan 0.000 0.449 223 V N 1.777 121.461 119.914 -0.384 0.000 2.479 223 V HA -0.009 4.111 4.120 -0.000 0.000 0.281 223 V C 0.609 176.627 176.094 -0.127 0.000 1.031 223 V CA 0.581 62.692 62.300 -0.314 0.000 1.038 223 V CB 0.308 31.944 31.823 -0.312 0.000 0.981 223 V HN 0.603 nan 8.190 nan 0.000 0.478 224 N N 3.371 122.039 118.700 -0.054 0.000 2.356 224 N HA 0.231 4.971 4.740 -0.000 0.000 0.178 224 N C -0.416 175.164 175.510 0.118 0.000 1.075 224 N CA 0.182 53.247 53.050 0.024 0.000 0.889 224 N CB 0.470 38.982 38.487 0.042 0.000 0.999 224 N HN 0.586 nan 8.380 nan 0.000 0.464 225 F N 0.511 120.439 119.950 -0.037 0.000 2.615 225 F HA 0.481 5.008 4.527 -0.000 0.000 0.312 225 F C -1.957 173.850 175.800 0.011 0.000 1.119 225 F CA -1.218 56.781 58.000 -0.001 0.000 0.979 225 F CB 1.254 40.266 39.000 0.020 0.000 1.266 225 F HN -0.281 nan 8.300 nan 0.000 0.444 226 I N 4.497 125.031 120.570 -0.060 0.000 2.382 226 I HA 0.345 4.515 4.170 -0.000 0.000 0.286 226 I C -0.796 175.454 176.117 0.221 0.000 1.002 226 I CA -0.281 61.080 61.300 0.101 0.000 1.135 226 I CB 1.727 39.720 38.000 -0.012 0.000 1.288 226 I HN 0.560 nan 8.210 nan 0.000 0.448 227 N N 6.467 125.418 118.700 0.419 0.000 2.518 227 N HA 0.522 5.262 4.740 -0.000 0.000 0.254 227 N C -1.574 174.161 175.510 0.375 0.000 0.979 227 N CA -0.483 52.837 53.050 0.449 0.000 0.930 227 N CB 1.000 39.732 38.487 0.409 0.000 1.152 227 N HN 0.494 nan 8.380 nan 0.000 0.505 228 F N 2.413 122.465 119.950 0.172 0.000 2.556 228 F HA 0.527 5.054 4.527 -0.000 0.000 0.314 228 F C -1.138 174.747 175.800 0.141 0.000 1.106 228 F CA -0.308 57.779 58.000 0.145 0.000 0.911 228 F CB 2.027 41.092 39.000 0.108 0.000 1.190 228 F HN 0.114 nan 8.300 nan 0.000 0.448 229 T N 4.354 118.477 114.554 -0.718 0.000 2.812 229 T HA 0.802 5.152 4.350 -0.000 0.000 0.282 229 T C -0.212 173.862 174.700 -1.042 0.000 0.990 229 T CA -0.245 61.512 62.100 -0.572 0.000 0.960 229 T CB 1.246 70.009 68.868 -0.175 0.000 0.948 229 T HN 1.130 nan 8.240 nan 0.000 0.438 230 G N 1.688 110.084 108.800 -0.673 0.000 2.356 230 G HA2 0.465 4.425 3.960 -0.000 0.000 0.281 230 G HA3 0.465 4.425 3.960 -0.000 0.000 0.281 230 G C -0.558 174.396 174.900 0.090 0.000 1.246 230 G CA -0.290 44.629 45.100 -0.302 0.000 0.889 230 G HN 0.918 nan 8.290 nan 0.000 0.486 231 S N -0.610 115.211 115.700 0.202 0.000 2.579 231 S HA 0.398 4.868 4.470 -0.000 0.000 0.275 231 S C 1.343 176.073 174.600 0.216 0.000 1.345 231 S CA 1.084 59.362 58.200 0.131 0.000 1.031 231 S CB 1.239 64.481 63.200 0.069 0.000 0.892 231 S HN 0.829 nan 8.310 nan 0.000 0.529 232 T N 2.627 117.280 114.554 0.164 0.000 2.833 232 T HA 0.013 4.363 4.350 -0.000 0.000 0.269 232 T C 2.048 176.804 174.700 0.094 0.000 1.054 232 T CA 1.485 63.685 62.100 0.167 0.000 1.135 232 T CB -1.006 67.990 68.868 0.214 0.000 0.869 232 T HN 0.858 nan 8.240 nan 0.000 0.466 233 G N 2.112 110.953 108.800 0.070 0.000 2.459 233 G HA2 -0.162 3.798 3.960 -0.000 0.000 0.217 233 G HA3 -0.162 3.798 3.960 -0.000 0.000 0.217 233 G C 1.412 176.311 174.900 -0.000 0.000 1.183 233 G CA 0.519 45.634 45.100 0.025 0.000 0.776 233 G HN 0.373 nan 8.290 nan 0.000 0.552 234 I N 1.981 122.563 120.570 0.020 0.000 2.252 234 I HA -0.061 4.109 4.170 -0.000 0.000 0.245 234 I C 3.067 179.027 176.117 -0.261 0.000 1.102 234 I CA 1.207 62.458 61.300 -0.081 0.000 1.385 234 I CB -1.660 36.346 38.000 0.010 0.000 1.064 234 I HN 0.233 nan 8.210 nan 0.000 0.414 235 G N 0.577 109.284 108.800 -0.156 0.000 2.450 235 G HA2 -0.218 3.742 3.960 -0.000 0.000 0.220 235 G HA3 -0.218 3.742 3.960 -0.000 0.000 0.220 235 G C 1.552 176.374 174.900 -0.130 0.000 1.130 235 G CA 0.356 45.344 45.100 -0.186 0.000 0.760 235 G HN 0.408 nan 8.290 nan 0.000 0.557 236 E N 0.304 120.462 120.200 -0.071 0.000 2.106 236 E HA -0.062 4.288 4.350 -0.000 0.000 0.192 236 E C 2.736 179.285 176.600 -0.085 0.000 0.984 236 E CA 0.433 56.797 56.400 -0.060 0.000 0.806 236 E CB -0.127 29.551 29.700 -0.037 0.000 0.750 236 E HN 0.398 nan 8.360 nan 0.000 0.458 237 R N 0.416 120.854 120.500 -0.104 0.000 2.092 237 R HA -0.020 4.320 4.340 -0.000 0.000 0.231 237 R C 2.494 178.717 176.300 -0.129 0.000 1.119 237 R CA 0.807 56.846 56.100 -0.101 0.000 0.970 237 R CB -0.177 30.067 30.300 -0.094 0.000 0.864 237 R HN 0.186 nan 8.270 nan 0.000 0.440 238 I N -0.085 120.365 120.570 -0.200 0.000 2.252 238 I HA -0.164 4.006 4.170 -0.000 0.000 0.245 238 I C 2.515 178.545 176.117 -0.145 0.000 1.102 238 I CA 1.373 62.547 61.300 -0.209 0.000 1.385 238 I CB -0.833 36.950 38.000 -0.361 0.000 1.064 238 I HN 0.310 nan 8.210 nan 0.000 0.414 239 G N 1.447 110.172 108.800 -0.126 0.000 2.476 239 G HA2 -0.263 3.697 3.960 -0.000 0.000 0.218 239 G HA3 -0.263 3.697 3.960 -0.000 0.000 0.218 239 G C 1.753 176.603 174.900 -0.082 0.000 1.164 239 G CA 0.748 45.792 45.100 -0.093 0.000 0.768 239 G HN 0.356 nan 8.290 nan 0.000 0.560 240 K N -0.367 119.987 120.400 -0.076 0.000 2.057 240 K HA 0.118 4.438 4.320 -0.000 0.000 0.206 240 K C 2.629 179.190 176.600 -0.064 0.000 1.050 240 K CA 1.019 57.268 56.287 -0.063 0.000 0.935 240 K CB -0.208 32.260 32.500 -0.054 0.000 0.715 240 K HN 0.299 nan 8.250 nan 0.000 0.439 241 M N 0.413 119.969 119.600 -0.073 0.000 2.394 241 M HA -0.058 4.422 4.480 -0.000 0.000 0.264 241 M C 2.282 178.538 176.300 -0.074 0.000 1.073 241 M CA 0.931 56.190 55.300 -0.068 0.000 1.111 241 M CB -0.202 32.358 32.600 -0.068 0.000 1.401 241 M HN 0.175 nan 8.290 nan 0.000 0.448 242 A N 0.470 123.238 122.820 -0.087 0.000 1.969 242 A HA 0.207 4.527 4.320 -0.000 0.000 0.218 242 A C 1.758 179.293 177.584 -0.082 0.000 1.169 242 A CA 1.520 53.500 52.037 -0.096 0.000 0.635 242 A CB -0.986 17.940 19.000 -0.123 0.000 0.810 242 A HN 0.581 nan 8.150 nan 0.000 0.445 243 G N -0.111 108.646 108.800 -0.071 0.000 2.565 243 G HA2 -0.424 3.536 3.960 -0.000 0.000 0.295 243 G HA3 -0.424 3.536 3.960 -0.000 0.000 0.295 243 G C 0.985 175.849 174.900 -0.060 0.000 1.165 243 G CA 1.189 46.254 45.100 -0.058 0.000 0.977 243 G HN 1.281 nan 8.290 nan 0.000 0.546 244 M N 0.195 119.763 119.600 -0.053 0.000 2.428 244 M HA 0.472 4.952 4.480 -0.000 0.000 0.239 244 M C 0.955 177.220 176.300 -0.059 0.000 1.121 244 M CA 0.025 55.295 55.300 -0.050 0.000 1.019 244 M CB 0.237 32.816 32.600 -0.035 0.000 1.485 244 M HN 0.316 nan 8.290 nan 0.000 0.484 245 R N 3.079 123.533 120.500 -0.076 0.000 2.543 245 R HA 0.335 4.675 4.340 -0.000 0.000 0.277 245 R C -2.237 173.964 176.300 -0.166 0.000 1.074 245 R CA -1.470 54.574 56.100 -0.095 0.000 1.076 245 R CB -0.102 30.139 30.300 -0.098 0.000 0.993 245 R HN 0.148 nan 8.270 nan 0.000 0.459 246 P HA 0.091 nan 4.420 nan 0.000 0.271 246 P C -0.498 176.279 177.300 -0.873 0.000 1.218 246 P CA 0.170 63.061 63.100 -0.349 0.000 0.780 246 P CB 0.616 32.247 31.700 -0.114 0.000 0.901 247 I N -0.966 119.165 120.570 -0.731 0.000 3.074 247 I HA 0.738 4.908 4.170 -0.000 0.000 0.310 247 I C -1.185 174.749 176.117 -0.305 0.000 1.153 247 I CA -1.853 59.027 61.300 -0.700 0.000 0.993 247 I CB 2.452 40.278 38.000 -0.291 0.000 1.237 247 I HN 0.197 nan 8.210 nan 0.000 0.443 248 M N 5.001 124.600 119.600 -0.002 0.000 2.204 248 M HA 0.633 5.113 4.480 -0.000 0.000 0.293 248 M C -2.261 174.171 176.300 0.220 0.000 0.994 248 M CA -0.184 55.257 55.300 0.235 0.000 0.925 248 M CB 1.709 34.586 32.600 0.462 0.000 1.577 248 M HN 0.625 nan 8.290 nan 0.000 0.439 249 L N 4.494 125.827 121.223 0.183 0.000 2.385 249 L HA 0.958 5.298 4.340 -0.000 0.000 0.273 249 L C -0.741 176.246 176.870 0.194 0.000 0.990 249 L CA -0.967 54.022 54.840 0.247 0.000 0.821 249 L CB 2.116 44.293 42.059 0.196 0.000 1.279 249 L HN 0.848 nan 8.230 nan 0.000 0.412 250 A N 4.786 127.734 122.820 0.213 0.000 2.363 250 A HA 0.798 5.118 4.320 -0.000 0.000 0.296 250 A C -0.514 177.170 177.584 0.166 0.000 1.237 250 A CA -0.361 51.779 52.037 0.172 0.000 0.773 250 A CB 0.622 19.773 19.000 0.253 0.000 1.153 250 A HN 0.674 nan 8.150 nan 0.000 0.473 251 L N 1.781 123.103 121.223 0.165 0.000 2.755 251 L HA 0.744 5.084 4.340 -0.000 0.000 0.243 251 L C 1.347 178.301 176.870 0.140 0.000 1.579 251 L CA -1.078 53.869 54.840 0.179 0.000 1.669 251 L CB 0.086 42.276 42.059 0.219 0.000 2.294 251 L HN 0.653 nan 8.230 nan 0.000 0.588 252 G N -1.336 107.546 108.800 0.137 0.000 2.606 252 G HA2 0.484 4.444 3.960 -0.000 0.000 0.252 252 G HA3 0.484 4.444 3.960 -0.000 0.000 0.252 252 G C -0.503 174.291 174.900 -0.176 0.000 1.206 252 G CA 0.251 45.326 45.100 -0.042 0.000 0.861 252 G HN 0.749 nan 8.290 nan 0.000 0.561 253 G N -1.082 107.477 108.800 -0.402 0.000 2.690 253 G HA2 0.517 4.477 3.960 -0.000 0.000 0.293 253 G HA3 0.517 4.477 3.960 -0.000 0.000 0.293 253 G C -1.026 173.636 174.900 -0.398 0.000 1.399 253 G CA -0.716 44.204 45.100 -0.299 0.000 0.890 253 G HN 0.605 nan 8.290 nan 0.000 0.485 254 K N 1.172 121.492 120.400 -0.133 0.000 3.146 254 K HA 0.282 4.602 4.320 -0.000 0.000 0.168 254 K C -0.773 175.861 176.600 0.056 0.000 1.075 254 K CA -0.512 55.772 56.287 -0.004 0.000 0.843 254 K CB -0.010 32.597 32.500 0.180 0.000 1.002 254 K HN 0.374 nan 8.250 nan 0.000 0.597 255 D N 1.338 121.758 120.400 0.033 0.000 2.487 255 D HA -0.028 4.612 4.640 -0.000 0.000 0.243 255 D C -0.093 176.229 176.300 0.037 0.000 1.154 255 D CA 0.546 54.574 54.000 0.047 0.000 0.876 255 D CB 0.941 41.770 40.800 0.048 0.000 1.161 255 D HN 0.491 nan 8.370 nan 0.000 0.478 256 S N 0.312 116.039 115.700 0.045 0.000 2.585 256 S HA 0.692 5.162 4.470 -0.000 0.000 0.277 256 S C -0.227 174.410 174.600 0.063 0.000 1.241 256 S CA -1.098 57.124 58.200 0.036 0.000 1.041 256 S CB 1.958 65.174 63.200 0.028 0.000 0.987 256 S HN 0.461 nan 8.310 nan 0.000 0.512 257 A N 2.962 125.834 122.820 0.086 0.000 2.277 257 A HA 0.628 4.948 4.320 -0.000 0.000 0.318 257 A C -0.318 177.366 177.584 0.165 0.000 1.339 257 A CA -0.796 51.356 52.037 0.191 0.000 0.875 257 A CB -0.151 18.990 19.000 0.234 0.000 1.158 257 A HN 0.865 nan 8.150 nan 0.000 0.514 258 I N 3.177 123.842 120.570 0.158 0.000 2.312 258 I HA 0.253 4.423 4.170 -0.000 0.000 0.291 258 I C -0.538 175.687 176.117 0.181 0.000 1.031 258 I CA -0.391 60.977 61.300 0.113 0.000 1.293 258 I CB 1.530 39.560 38.000 0.050 0.000 1.403 258 I HN 0.299 nan 8.210 nan 0.000 0.484 259 V N 7.696 127.690 119.914 0.134 0.000 2.347 259 V HA 0.391 4.511 4.120 -0.000 0.000 0.280 259 V C 0.303 176.447 176.094 0.083 0.000 1.021 259 V CA -0.581 61.800 62.300 0.134 0.000 0.847 259 V CB 1.207 33.060 31.823 0.050 0.000 0.990 259 V HN 0.504 nan 8.190 nan 0.000 0.444 260 L N 3.043 124.321 121.223 0.092 0.000 2.416 260 L HA 0.461 4.801 4.340 -0.000 0.000 0.262 260 L C 1.553 178.457 176.870 0.057 0.000 1.093 260 L CA -0.547 54.330 54.840 0.062 0.000 0.801 260 L CB 1.038 43.130 42.059 0.056 0.000 1.191 260 L HN 0.622 nan 8.230 nan 0.000 0.459 261 E N 0.657 120.884 120.200 0.044 0.000 2.209 261 E HA -0.212 4.138 4.350 -0.000 0.000 0.196 261 E C 0.489 177.115 176.600 0.044 0.000 0.993 261 E CA 1.331 57.754 56.400 0.038 0.000 0.819 261 E CB -0.008 29.711 29.700 0.032 0.000 0.745 261 E HN 0.647 nan 8.360 nan 0.000 0.477 262 D N 0.212 120.645 120.400 0.055 0.000 2.342 262 D HA 0.100 4.740 4.640 -0.000 0.000 0.221 262 D C 0.294 176.641 176.300 0.080 0.000 1.101 262 D CA -0.128 53.909 54.000 0.062 0.000 0.837 262 D CB -0.083 40.756 40.800 0.065 0.000 0.938 262 D HN -0.021 nan 8.370 nan 0.000 0.508 263 A N 0.726 123.598 122.820 0.086 0.000 2.425 263 A HA 0.157 4.477 4.320 -0.000 0.000 0.242 263 A C 0.243 177.881 177.584 0.091 0.000 1.077 263 A CA -0.311 51.795 52.037 0.115 0.000 0.781 263 A CB 0.308 19.387 19.000 0.131 0.000 1.020 263 A HN 0.133 nan 8.150 nan 0.000 0.494 264 D N 2.264 122.731 120.400 0.113 0.000 2.402 264 D HA 0.204 4.844 4.640 -0.000 0.000 0.235 264 D C 1.039 177.364 176.300 0.043 0.000 1.226 264 D CA -0.117 53.932 54.000 0.081 0.000 0.918 264 D CB 0.042 40.904 40.800 0.104 0.000 1.043 264 D HN 0.440 nan 8.370 nan 0.000 0.506 265 L N 2.564 123.795 121.223 0.013 0.000 2.187 265 L HA -0.163 4.177 4.340 -0.000 0.000 0.213 265 L C 2.141 178.984 176.870 -0.044 0.000 1.100 265 L CA 0.973 55.795 54.840 -0.029 0.000 0.765 265 L CB -0.308 41.738 42.059 -0.022 0.000 0.904 265 L HN 0.382 nan 8.230 nan 0.000 0.437 266 E N 1.123 121.314 120.200 -0.015 0.000 2.046 266 E HA -0.212 4.138 4.350 -0.000 0.000 0.190 266 E C 2.158 178.749 176.600 -0.015 0.000 0.982 266 E CA 1.022 57.413 56.400 -0.014 0.000 0.800 266 E CB -0.240 29.462 29.700 0.003 0.000 0.756 266 E HN 0.411 nan 8.360 nan 0.000 0.449 267 L N 0.052 121.284 121.223 0.014 0.000 2.046 267 L HA -0.149 4.191 4.340 -0.000 0.000 0.208 267 L C 2.065 178.928 176.870 -0.011 0.000 1.077 267 L CA 2.013 56.883 54.840 0.049 0.000 0.747 267 L CB -0.602 41.527 42.059 0.118 0.000 0.896 267 L HN 0.173 nan 8.230 nan 0.000 0.432 268 T N 0.207 114.678 114.554 -0.138 0.000 2.708 268 T HA -0.139 4.211 4.350 -0.000 0.000 0.266 268 T C 1.937 176.362 174.700 -0.458 0.000 1.037 268 T CA 1.393 63.140 62.100 -0.589 0.000 1.146 268 T CB -0.436 68.100 68.868 -0.553 0.000 0.865 268 T HN 0.581 nan 8.240 nan 0.000 0.435 269 A N 1.442 124.126 122.820 -0.227 0.000 1.902 269 A HA -0.092 4.228 4.320 -0.000 0.000 0.217 269 A C 2.273 179.809 177.584 -0.079 0.000 1.181 269 A CA 1.587 53.541 52.037 -0.138 0.000 0.623 269 A CB -0.468 18.485 19.000 -0.078 0.000 0.818 269 A HN 0.406 nan 8.150 nan 0.000 0.443 270 K N -0.354 120.015 120.400 -0.052 0.000 2.032 270 K HA -0.137 4.183 4.320 -0.000 0.000 0.209 270 K C 1.871 178.479 176.600 0.013 0.000 1.048 270 K CA 1.518 57.802 56.287 -0.005 0.000 0.927 270 K CB -0.205 32.303 32.500 0.014 0.000 0.712 270 K HN 0.493 nan 8.250 nan 0.000 0.441 271 N N 0.639 119.345 118.700 0.009 0.000 2.188 271 N HA -0.103 4.637 4.740 -0.000 0.000 0.184 271 N C 1.919 177.454 175.510 0.042 0.000 1.018 271 N CA 0.991 54.086 53.050 0.076 0.000 0.858 271 N CB -0.020 38.616 38.487 0.249 0.000 0.989 271 N HN 0.171 nan 8.380 nan 0.000 0.426 272 I N 1.300 121.833 120.570 -0.062 0.000 2.252 272 I HA -0.215 3.955 4.170 -0.000 0.000 0.245 272 I C 2.184 178.312 176.117 0.019 0.000 1.102 272 I CA 0.690 61.959 61.300 -0.052 0.000 1.385 272 I CB -0.092 37.828 38.000 -0.134 0.000 1.064 272 I HN 0.066 nan 8.210 nan 0.000 0.414 273 I N 1.012 121.626 120.570 0.074 0.000 2.179 273 I HA -0.286 3.884 4.170 -0.000 0.000 0.242 273 I C 2.853 179.091 176.117 0.201 0.000 1.088 273 I CA 1.808 63.236 61.300 0.213 0.000 1.357 273 I CB -1.303 36.783 38.000 0.144 0.000 1.051 273 I HN 0.196 nan 8.210 nan 0.000 0.409 274 A N 0.801 123.684 122.820 0.105 0.000 1.902 274 A HA -0.105 4.215 4.320 -0.000 0.000 0.217 274 A C 2.464 180.082 177.584 0.055 0.000 1.181 274 A CA 1.916 54.003 52.037 0.083 0.000 0.623 274 A CB -1.277 17.756 19.000 0.055 0.000 0.818 274 A HN 0.450 nan 8.150 nan 0.000 0.443 275 G N -0.991 107.825 108.800 0.026 0.000 2.421 275 G HA2 0.131 4.091 3.960 -0.000 0.000 0.217 275 G HA3 0.131 4.091 3.960 -0.000 0.000 0.217 275 G C 1.635 176.488 174.900 -0.078 0.000 1.143 275 G CA 1.186 46.278 45.100 -0.013 0.000 0.784 275 G HN 0.750 nan 8.290 nan 0.000 0.541 276 A N 0.088 122.814 122.820 -0.156 0.000 1.930 276 A HA 0.348 4.668 4.320 -0.000 0.000 0.215 276 A C 1.850 179.110 177.584 -0.540 0.000 1.176 276 A CA 0.822 52.608 52.037 -0.418 0.000 0.632 276 A CB -0.236 18.371 19.000 -0.656 0.000 0.819 276 A HN 0.284 nan 8.150 nan 0.000 0.445 277 F N 0.173 120.113 119.950 -0.015 0.000 2.721 277 F HA 0.283 4.810 4.527 -0.000 0.000 0.301 277 F C 1.670 177.467 175.800 -0.005 0.000 1.096 277 F CA -0.421 57.568 58.000 -0.017 0.000 1.308 277 F CB -0.296 38.695 39.000 -0.016 0.000 1.086 277 F HN 0.170 nan 8.300 nan 0.000 0.587 278 G N -0.422 108.449 108.800 0.118 0.000 2.225 278 G HA2 -0.035 3.925 3.960 -0.000 0.000 0.245 278 G HA3 -0.035 3.925 3.960 -0.000 0.000 0.245 278 G C -0.082 174.901 174.900 0.138 0.000 1.249 278 G CA 0.088 45.250 45.100 0.104 0.000 0.919 278 G HN 0.420 nan 8.290 nan 0.000 0.486 279 Y N 1.667 121.948 120.300 -0.032 0.000 3.589 279 Y HA -0.334 4.216 4.550 0.000 0.000 0.218 279 Y C 1.411 177.285 175.900 -0.044 0.000 1.234 279 Y CA 0.737 58.798 58.100 -0.065 0.000 1.576 279 Y CB -1.873 36.494 38.460 -0.155 0.000 1.487 279 Y HN 1.227 nan 8.280 nan 0.000 0.616 280 S N -1.976 113.752 115.700 0.047 0.000 3.521 280 S HA -0.130 4.340 4.470 -0.000 0.000 0.328 280 S C 1.615 176.170 174.600 -0.075 0.000 1.165 280 S CA 1.544 59.748 58.200 0.006 0.000 0.941 280 S CB -1.701 61.468 63.200 -0.053 0.000 0.951 280 S HN 2.361 nan 8.310 nan 0.000 0.539 281 G N 0.124 108.852 108.800 -0.119 0.000 2.159 281 G HA2 -0.315 3.645 3.960 -0.000 0.000 0.256 281 G HA3 -0.315 3.645 3.960 -0.000 0.000 0.256 281 G C -0.103 174.524 174.900 -0.455 0.000 0.977 281 G CA 0.375 45.341 45.100 -0.224 0.000 0.652 281 G HN 0.707 nan 8.290 nan 0.000 0.531 282 Q N 0.221 119.664 119.800 -0.594 0.000 3.170 282 Q HA 0.405 4.745 4.340 -0.000 0.000 0.346 282 Q C 0.538 175.937 176.000 -1.001 0.000 1.333 282 Q CA 0.165 55.275 55.803 -1.154 0.000 0.958 282 Q CB 0.224 28.505 28.738 -0.762 0.000 1.600 282 Q HN 0.482 nan 8.270 nan 0.000 0.482 283 R N -0.526 119.483 120.500 -0.819 0.000 2.574 283 R HA 0.275 4.615 4.340 -0.000 0.000 0.288 283 R C 0.080 176.359 176.300 -0.036 0.000 1.004 283 R CA -0.568 55.393 56.100 -0.232 0.000 0.895 283 R CB 1.179 31.450 30.300 -0.047 0.000 1.191 283 R HN 0.330 nan 8.270 nan 0.000 0.444 284 C N 0.145 119.579 119.300 0.225 0.000 2.435 284 C HA -0.087 4.373 4.460 -0.000 0.000 0.279 284 C C 2.141 177.229 174.990 0.163 0.000 1.321 284 C CA 1.108 60.294 59.018 0.281 0.000 1.752 284 C CB -0.771 27.138 27.740 0.282 0.000 1.959 284 C HN 0.885 nan 8.230 nan 0.000 0.500 285 T N -1.105 113.529 114.554 0.133 0.000 3.188 285 T HA 0.464 4.814 4.350 -0.000 0.000 0.250 285 T C 0.548 175.269 174.700 0.036 0.000 1.077 285 T CA 0.469 62.633 62.100 0.108 0.000 0.967 285 T CB -0.210 68.730 68.868 0.120 0.000 1.006 285 T HN 0.464 nan 8.240 nan 0.000 0.552 286 A N 1.189 124.010 122.820 0.001 0.000 2.406 286 A HA 0.522 4.842 4.320 -0.000 0.000 0.243 286 A C 0.469 178.028 177.584 -0.041 0.000 1.082 286 A CA -0.478 51.531 52.037 -0.047 0.000 0.786 286 A CB 0.141 19.076 19.000 -0.109 0.000 1.029 286 A HN 0.363 nan 8.150 nan 0.000 0.495 287 V N 2.650 122.529 119.914 -0.059 0.000 2.446 287 V HA 0.050 4.170 4.120 -0.000 0.000 0.276 287 V C 1.015 177.055 176.094 -0.091 0.000 1.030 287 V CA 0.733 63.007 62.300 -0.043 0.000 1.033 287 V CB 0.407 32.210 31.823 -0.032 0.000 0.993 287 V HN 0.985 nan 8.190 nan 0.000 0.477 288 K N 4.796 125.162 120.400 -0.057 0.000 2.373 288 K HA 0.256 4.576 4.320 -0.000 0.000 0.200 288 K C 0.379 176.942 176.600 -0.062 0.000 1.054 288 K CA -0.082 56.165 56.287 -0.068 0.000 1.065 288 K CB 0.642 33.120 32.500 -0.036 0.000 0.886 288 K HN 0.758 nan 8.250 nan 0.000 0.546 289 R N -0.410 120.059 120.500 -0.051 0.000 2.536 289 R HA 0.293 4.633 4.340 -0.000 0.000 0.269 289 R C -1.415 174.862 176.300 -0.039 0.000 1.113 289 R CA -0.702 55.360 56.100 -0.063 0.000 0.948 289 R CB 1.043 31.281 30.300 -0.103 0.000 1.237 289 R HN -0.251 nan 8.270 nan 0.000 0.441 290 V N 4.726 124.616 119.914 -0.039 0.000 2.383 290 V HA 0.325 4.445 4.120 -0.000 0.000 0.275 290 V C 0.098 176.179 176.094 -0.022 0.000 1.036 290 V CA -0.617 61.671 62.300 -0.019 0.000 0.889 290 V CB 1.241 33.048 31.823 -0.027 0.000 0.985 290 V HN 0.576 nan 8.190 nan 0.000 0.459 291 L N 6.280 127.502 121.223 -0.002 0.000 2.297 291 L HA 0.563 4.903 4.340 -0.000 0.000 0.277 291 L C -0.381 176.497 176.870 0.013 0.000 1.040 291 L CA -0.357 54.480 54.840 -0.005 0.000 0.867 291 L CB 1.380 43.438 42.059 -0.001 0.000 1.244 291 L HN 0.457 nan 8.230 nan 0.000 0.433 292 V N 4.948 124.865 119.914 0.005 0.000 2.459 292 V HA 0.434 4.554 4.120 -0.000 0.000 0.295 292 V C 0.431 176.532 176.094 0.011 0.000 1.029 292 V CA -0.657 61.648 62.300 0.010 0.000 0.874 292 V CB 1.886 33.707 31.823 -0.004 0.000 0.985 292 V HN 0.588 nan 8.190 nan 0.000 0.438 293 M N 4.121 123.732 119.600 0.018 0.000 2.260 293 M HA 0.058 4.538 4.480 -0.000 0.000 0.348 293 M C 1.350 177.658 176.300 0.013 0.000 1.342 293 M CA 0.540 55.850 55.300 0.018 0.000 1.040 293 M CB 0.172 32.786 32.600 0.023 0.000 1.810 293 M HN 0.971 nan 8.290 nan 0.000 0.453 294 E N 2.823 123.030 120.200 0.012 0.000 2.108 294 E HA -0.230 4.120 4.350 -0.000 0.000 0.203 294 E C 1.698 178.304 176.600 0.009 0.000 1.022 294 E CA 2.720 59.126 56.400 0.010 0.000 0.823 294 E CB -0.011 29.695 29.700 0.011 0.000 0.744 294 E HN 0.780 nan 8.360 nan 0.000 0.456 295 S N -0.841 114.866 115.700 0.011 0.000 2.442 295 S HA -0.151 4.319 4.470 -0.000 0.000 0.236 295 S C 1.860 176.466 174.600 0.010 0.000 1.007 295 S CA 1.335 59.542 58.200 0.011 0.000 0.965 295 S CB -0.425 62.783 63.200 0.014 0.000 0.773 295 S HN 0.357 nan 8.310 nan 0.000 0.504 296 V N -2.571 117.349 119.914 0.009 0.000 3.528 296 V HA 0.686 4.806 4.120 -0.000 0.000 0.294 296 V C 2.238 178.331 176.094 -0.001 0.000 1.404 296 V CA 0.106 62.410 62.300 0.006 0.000 1.065 296 V CB -0.755 31.073 31.823 0.009 0.000 0.904 296 V HN 0.429 nan 8.190 nan 0.000 0.435 297 A N 1.502 124.322 122.820 -0.000 0.000 1.865 297 A HA -0.228 4.092 4.320 -0.000 0.000 0.217 297 A C 1.913 179.494 177.584 -0.006 0.000 1.191 297 A CA 2.488 54.523 52.037 -0.004 0.000 0.623 297 A CB -0.856 18.144 19.000 0.000 0.000 0.826 297 A HN 0.538 nan 8.150 nan 0.000 0.444 298 D N -0.791 119.608 120.400 -0.002 0.000 2.104 298 D HA -0.184 4.456 4.640 -0.000 0.000 0.194 298 D C 1.892 178.187 176.300 -0.007 0.000 0.994 298 D CA 1.617 55.615 54.000 -0.003 0.000 0.830 298 D CB -0.462 40.337 40.800 -0.001 0.000 0.959 298 D HN 0.743 nan 8.370 nan 0.000 0.452 299 E N -0.118 120.078 120.200 -0.007 0.000 2.077 299 E HA -0.168 4.182 4.350 -0.000 0.000 0.193 299 E C 2.144 178.734 176.600 -0.018 0.000 0.989 299 E CA 0.450 56.844 56.400 -0.010 0.000 0.800 299 E CB -0.047 29.649 29.700 -0.006 0.000 0.746 299 E HN 0.085 nan 8.360 nan 0.000 0.452 300 L N 0.284 121.494 121.223 -0.022 0.000 2.027 300 L HA -0.128 4.212 4.340 -0.000 0.000 0.206 300 L C 2.288 179.138 176.870 -0.032 0.000 1.074 300 L CA 1.271 56.089 54.840 -0.038 0.000 0.745 300 L CB -0.523 41.507 42.059 -0.048 0.000 0.898 300 L HN 0.012 nan 8.230 nan 0.000 0.433 301 V N -0.010 119.890 119.914 -0.022 0.000 2.324 301 V HA -0.319 3.801 4.120 -0.000 0.000 0.250 301 V C 2.740 178.823 176.094 -0.018 0.000 1.060 301 V CA 2.019 64.310 62.300 -0.015 0.000 1.042 301 V CB -0.685 31.134 31.823 -0.008 0.000 0.650 301 V HN 0.544 nan 8.190 nan 0.000 0.450 302 E N 0.516 120.705 120.200 -0.018 0.000 2.051 302 E HA -0.207 4.143 4.350 -0.000 0.000 0.192 302 E C 2.211 178.797 176.600 -0.024 0.000 0.991 302 E CA 1.600 57.988 56.400 -0.020 0.000 0.799 302 E CB -0.283 29.407 29.700 -0.017 0.000 0.748 302 E HN 0.547 nan 8.360 nan 0.000 0.449 303 K N -0.111 120.274 120.400 -0.025 0.000 2.032 303 K HA -0.140 4.180 4.320 -0.000 0.000 0.209 303 K C 2.075 178.659 176.600 -0.027 0.000 1.048 303 K CA 1.410 57.680 56.287 -0.027 0.000 0.927 303 K CB -0.266 32.215 32.500 -0.032 0.000 0.712 303 K HN 0.160 nan 8.250 nan 0.000 0.441 304 I N 1.260 121.815 120.570 -0.024 0.000 2.099 304 I HA -0.277 3.893 4.170 -0.000 0.000 0.239 304 I C 2.422 178.529 176.117 -0.017 0.000 1.066 304 I CA 1.368 62.664 61.300 -0.006 0.000 1.324 304 I CB -1.259 36.750 38.000 0.014 0.000 1.037 304 I HN 0.227 nan 8.210 nan 0.000 0.401 305 R N 0.623 121.108 120.500 -0.026 0.000 2.113 305 R HA -0.257 4.083 4.340 -0.000 0.000 0.244 305 R C 2.288 178.552 176.300 -0.061 0.000 1.142 305 R CA 2.246 58.318 56.100 -0.047 0.000 0.953 305 R CB -0.282 29.992 30.300 -0.043 0.000 0.860 305 R HN 0.473 nan 8.270 nan 0.000 0.438 306 E N 0.206 120.377 120.200 -0.048 0.000 2.072 306 E HA -0.193 4.157 4.350 -0.000 0.000 0.191 306 E C 1.804 178.370 176.600 -0.056 0.000 0.985 306 E CA 1.335 57.707 56.400 -0.048 0.000 0.801 306 E CB 0.144 29.823 29.700 -0.035 0.000 0.750 306 E HN 0.305 nan 8.360 nan 0.000 0.452 307 K N -0.135 120.235 120.400 -0.050 0.000 2.217 307 K HA -0.057 4.263 4.320 -0.000 0.000 0.202 307 K C 2.011 178.553 176.600 -0.096 0.000 1.051 307 K CA 0.709 56.964 56.287 -0.053 0.000 0.952 307 K CB 0.176 32.659 32.500 -0.027 0.000 0.736 307 K HN 0.016 nan 8.250 nan 0.000 0.453 308 V N 1.657 121.491 119.914 -0.134 0.000 2.490 308 V HA -0.205 3.915 4.120 -0.000 0.000 0.250 308 V C 1.928 177.885 176.094 -0.228 0.000 1.061 308 V CA 1.517 63.655 62.300 -0.269 0.000 1.064 308 V CB -0.360 31.282 31.823 -0.303 0.000 0.670 308 V HN 0.284 nan 8.190 nan 0.000 0.461 309 L N 0.072 121.206 121.223 -0.148 0.000 2.376 309 L HA 0.007 4.347 4.340 -0.000 0.000 0.219 309 L C 2.345 179.157 176.870 -0.097 0.000 1.133 309 L CA 1.053 55.823 54.840 -0.118 0.000 0.816 309 L CB -0.573 41.432 42.059 -0.088 0.000 0.933 309 L HN 0.316 nan 8.230 nan 0.000 0.449 310 A N -0.324 122.441 122.820 -0.090 0.000 2.251 310 A HA 0.207 4.527 4.320 -0.000 0.000 0.209 310 A C 1.000 178.542 177.584 -0.070 0.000 1.187 310 A CA -0.118 51.879 52.037 -0.066 0.000 0.823 310 A CB -0.249 18.721 19.000 -0.050 0.000 0.846 310 A HN 0.225 nan 8.150 nan 0.000 0.486 311 L N 1.983 123.143 121.223 -0.105 0.000 2.410 311 L HA 0.178 4.518 4.340 -0.000 0.000 0.273 311 L C 0.786 177.610 176.870 -0.076 0.000 1.152 311 L CA -0.376 54.403 54.840 -0.102 0.000 0.855 311 L CB 0.888 42.837 42.059 -0.184 0.000 1.129 311 L HN 0.355 nan 8.230 nan 0.000 0.463 312 T N 1.455 115.983 114.554 -0.044 0.000 2.897 312 T HA 0.614 4.964 4.350 -0.000 0.000 0.294 312 T C -0.223 174.463 174.700 -0.024 0.000 1.004 312 T CA -0.564 61.519 62.100 -0.028 0.000 1.106 312 T CB 1.061 69.923 68.868 -0.011 0.000 0.949 312 T HN 0.327 nan 8.240 nan 0.000 0.520 313 I N 1.871 122.428 120.570 -0.022 0.000 2.545 313 I HA 0.718 4.888 4.170 -0.000 0.000 0.292 313 I C 0.799 176.915 176.117 -0.002 0.000 1.040 313 I CA -0.584 60.707 61.300 -0.015 0.000 1.068 313 I CB 1.865 39.848 38.000 -0.029 0.000 1.251 313 I HN 1.098 nan 8.210 nan 0.000 0.424 314 G N 4.685 113.491 108.800 0.011 0.000 2.403 314 G HA2 -0.018 3.942 3.960 -0.000 0.000 0.223 314 G HA3 -0.018 3.942 3.960 -0.000 0.000 0.223 314 G C -1.554 173.363 174.900 0.030 0.000 1.287 314 G CA -0.891 44.219 45.100 0.016 0.000 0.982 314 G HN 0.582 nan 8.290 nan 0.000 0.471 315 N N 1.740 120.458 118.700 0.031 0.000 2.513 315 N HA 0.451 5.191 4.740 -0.000 0.000 0.274 315 N C -1.717 173.827 175.510 0.056 0.000 1.189 315 N CA -1.273 51.802 53.050 0.042 0.000 0.975 315 N CB 1.951 40.459 38.487 0.033 0.000 1.157 315 N HN 0.149 nan 8.380 nan 0.000 0.465 316 P HA -0.257 nan 4.420 nan 0.000 0.214 316 P C 1.193 178.555 177.300 0.103 0.000 1.163 316 P CA 1.334 64.491 63.100 0.095 0.000 0.889 316 P CB 0.049 31.810 31.700 0.103 0.000 0.790 317 E N -0.218 120.029 120.200 0.079 0.000 2.331 317 E HA -0.209 4.141 4.350 -0.000 0.000 0.199 317 E C 0.473 177.095 176.600 0.037 0.000 1.008 317 E CA 1.361 57.791 56.400 0.050 0.000 0.843 317 E CB -0.922 28.780 29.700 0.003 0.000 0.761 317 E HN 0.269 nan 8.360 nan 0.000 0.507 318 D N 1.317 121.743 120.400 0.042 0.000 2.339 318 D HA 0.013 4.653 4.640 -0.000 0.000 0.217 318 D C -0.289 176.039 176.300 0.047 0.000 1.050 318 D CA 0.153 54.173 54.000 0.033 0.000 0.856 318 D CB 0.003 40.816 40.800 0.022 0.000 0.922 318 D HN 0.082 nan 8.370 nan 0.000 0.518 319 D N 0.382 120.825 120.400 0.072 0.000 2.723 319 D HA -0.169 4.471 4.640 -0.000 0.000 0.236 319 D C 0.129 176.459 176.300 0.050 0.000 1.138 319 D CA 0.691 54.733 54.000 0.071 0.000 0.676 319 D CB -1.334 39.511 40.800 0.075 0.000 1.069 319 D HN 0.285 nan 8.370 nan 0.000 0.430 320 A N 0.246 123.095 122.820 0.049 0.000 2.407 320 A HA 0.159 4.479 4.320 -0.000 0.000 0.248 320 A C 1.400 179.011 177.584 0.045 0.000 1.082 320 A CA -0.022 52.037 52.037 0.037 0.000 0.785 320 A CB 0.607 19.627 19.000 0.033 0.000 1.020 320 A HN 0.023 nan 8.150 nan 0.000 0.489 321 D N 0.364 120.783 120.400 0.032 0.000 2.084 321 D HA -0.085 4.555 4.640 -0.000 0.000 0.194 321 D C 0.475 176.814 176.300 0.065 0.000 0.990 321 D CA 1.468 55.493 54.000 0.043 0.000 0.826 321 D CB -0.064 40.745 40.800 0.016 0.000 0.971 321 D HN 0.368 nan 8.370 nan 0.000 0.453 322 I N 1.900 122.494 120.570 0.039 0.000 2.312 322 I HA 0.140 4.310 4.170 -0.000 0.000 0.290 322 I C 0.726 176.869 176.117 0.044 0.000 1.008 322 I CA -0.207 61.119 61.300 0.044 0.000 1.226 322 I CB 0.761 38.766 38.000 0.008 0.000 1.371 322 I HN -0.124 nan 8.210 nan 0.000 0.468 323 T N 4.773 119.362 114.554 0.060 0.000 2.938 323 T HA 0.684 5.034 4.350 -0.000 0.000 0.285 323 T C -2.790 171.931 174.700 0.035 0.000 1.028 323 T CA -2.277 59.859 62.100 0.061 0.000 1.005 323 T CB 1.753 70.687 68.868 0.111 0.000 1.157 323 T HN 0.144 nan 8.240 nan 0.000 0.550 324 P HA 0.248 nan 4.420 nan 0.000 0.269 324 P C -0.135 177.163 177.300 -0.003 0.000 1.215 324 P CA -0.437 62.674 63.100 0.018 0.000 0.780 324 P CB 0.309 32.024 31.700 0.025 0.000 0.898 325 L N 2.575 123.787 121.223 -0.017 0.000 2.464 325 L HA 0.085 4.425 4.340 -0.000 0.000 0.264 325 L C 2.135 178.964 176.870 -0.068 0.000 1.199 325 L CA -0.408 54.404 54.840 -0.046 0.000 0.818 325 L CB -0.024 42.027 42.059 -0.014 0.000 1.102 325 L HN 0.324 nan 8.230 nan 0.000 0.473 326 I N 0.545 121.026 120.570 -0.148 0.000 2.315 326 I HA -0.243 3.927 4.170 -0.000 0.000 0.251 326 I C 0.506 176.518 176.117 -0.175 0.000 1.125 326 I CA 1.641 62.788 61.300 -0.254 0.000 1.392 326 I CB -0.329 37.186 38.000 -0.808 0.000 1.065 326 I HN 0.911 nan 8.210 nan 0.000 0.424 327 D N -4.786 115.537 120.400 -0.128 0.000 2.738 327 D HA 0.108 4.748 4.640 -0.000 0.000 0.308 327 D C 0.530 176.807 176.300 -0.038 0.000 1.311 327 D CA 0.039 53.994 54.000 -0.075 0.000 0.799 327 D CB 0.122 40.869 40.800 -0.088 0.000 1.332 327 D HN -0.208 nan 8.370 nan 0.000 0.441 328 T N -0.434 114.106 114.554 -0.023 0.000 2.708 328 T HA -0.118 4.232 4.350 -0.000 0.000 0.266 328 T C 1.560 176.268 174.700 0.013 0.000 1.037 328 T CA 1.644 63.741 62.100 -0.004 0.000 1.146 328 T CB -0.247 68.616 68.868 -0.009 0.000 0.865 328 T HN 0.419 nan 8.240 nan 0.000 0.435 329 K N 0.826 121.228 120.400 0.004 0.000 2.044 329 K HA -0.143 4.177 4.320 -0.000 0.000 0.210 329 K C 2.651 179.285 176.600 0.056 0.000 1.049 329 K CA 1.665 57.964 56.287 0.020 0.000 0.927 329 K CB -0.175 32.319 32.500 -0.009 0.000 0.713 329 K HN 0.222 nan 8.250 nan 0.000 0.443 330 S N 0.324 116.045 115.700 0.034 0.000 2.355 330 S HA -0.133 4.337 4.470 -0.000 0.000 0.222 330 S C 2.038 176.723 174.600 0.143 0.000 1.031 330 S CA 1.200 59.454 58.200 0.090 0.000 0.993 330 S CB -0.226 62.994 63.200 0.032 0.000 0.859 330 S HN 0.491 nan 8.310 nan 0.000 0.453 331 A N 1.779 124.646 122.820 0.079 0.000 1.969 331 A HA -0.133 4.187 4.320 -0.000 0.000 0.218 331 A C 1.770 179.402 177.584 0.080 0.000 1.169 331 A CA 1.553 53.633 52.037 0.072 0.000 0.635 331 A CB -0.555 18.468 19.000 0.038 0.000 0.810 331 A HN 0.321 nan 8.150 nan 0.000 0.445 332 D N -1.676 118.776 120.400 0.086 0.000 2.117 332 D HA -0.136 4.504 4.640 -0.000 0.000 0.198 332 D C 1.663 178.033 176.300 0.118 0.000 0.982 332 D CA 1.415 55.465 54.000 0.083 0.000 0.828 332 D CB -0.441 40.406 40.800 0.078 0.000 0.967 332 D HN 0.638 nan 8.370 nan 0.000 0.464 333 Y N 1.230 121.549 120.300 0.032 0.000 2.128 333 Y HA -0.253 4.297 4.550 -0.000 0.000 0.284 333 Y C 2.213 178.144 175.900 0.053 0.000 1.154 333 Y CA 1.303 59.428 58.100 0.041 0.000 1.149 333 Y CB -0.183 38.304 38.460 0.046 0.000 0.976 333 Y HN -0.207 nan 8.280 nan 0.000 0.505 334 V N 0.765 120.700 119.914 0.035 0.000 2.332 334 V HA -0.321 3.799 4.120 -0.000 0.000 0.248 334 V C 2.302 178.368 176.094 -0.046 0.000 1.055 334 V CA 2.327 64.606 62.300 -0.035 0.000 1.038 334 V CB -0.715 31.158 31.823 0.083 0.000 0.651 334 V HN 0.489 nan 8.190 nan 0.000 0.450 335 E N 0.178 120.377 120.200 -0.001 0.000 2.077 335 E HA -0.183 4.167 4.350 -0.000 0.000 0.193 335 E C 2.297 178.886 176.600 -0.019 0.000 0.989 335 E CA 1.266 57.673 56.400 0.011 0.000 0.800 335 E CB -0.416 29.300 29.700 0.026 0.000 0.746 335 E HN 0.606 nan 8.360 nan 0.000 0.452 336 G N 0.996 109.763 108.800 -0.054 0.000 2.422 336 G HA2 -0.239 3.721 3.960 -0.000 0.000 0.218 336 G HA3 -0.239 3.721 3.960 -0.000 0.000 0.218 336 G C 1.543 176.370 174.900 -0.121 0.000 1.146 336 G CA 0.560 45.617 45.100 -0.072 0.000 0.769 336 G HN 0.191 nan 8.290 nan 0.000 0.547 337 L N -0.079 121.024 121.223 -0.201 0.000 2.109 337 L HA 0.081 4.421 4.340 -0.000 0.000 0.207 337 L C 2.809 179.589 176.870 -0.150 0.000 1.086 337 L CA 0.446 55.164 54.840 -0.203 0.000 0.760 337 L CB -0.240 41.661 42.059 -0.262 0.000 0.910 337 L HN 0.194 nan 8.230 nan 0.000 0.437 338 I N -0.089 120.448 120.570 -0.056 0.000 2.226 338 I HA -0.281 3.889 4.170 -0.000 0.000 0.245 338 I C 2.159 178.280 176.117 0.007 0.000 1.100 338 I CA 1.068 62.405 61.300 0.062 0.000 1.374 338 I CB -0.340 37.778 38.000 0.196 0.000 1.057 338 I HN 0.348 nan 8.210 nan 0.000 0.413 339 N N 0.579 119.279 118.700 -0.001 0.000 2.142 339 N HA -0.219 4.521 4.740 -0.000 0.000 0.186 339 N C 1.579 177.057 175.510 -0.054 0.000 1.023 339 N CA 1.322 54.372 53.050 -0.000 0.000 0.852 339 N CB -0.545 37.944 38.487 0.004 0.000 0.998 339 N HN 0.412 nan 8.380 nan 0.000 0.424 340 D N 0.780 121.127 120.400 -0.089 0.000 2.123 340 D HA -0.133 4.507 4.640 -0.000 0.000 0.196 340 D C 1.564 177.770 176.300 -0.157 0.000 0.992 340 D CA 1.229 55.170 54.000 -0.098 0.000 0.833 340 D CB 0.227 40.971 40.800 -0.093 0.000 0.954 340 D HN 0.200 nan 8.370 nan 0.000 0.455 341 A N 0.912 123.551 122.820 -0.301 0.000 1.898 341 A HA -0.180 4.140 4.320 -0.000 0.000 0.216 341 A C 2.123 179.478 177.584 -0.382 0.000 1.181 341 A CA 1.416 53.147 52.037 -0.509 0.000 0.620 341 A CB -0.793 17.520 19.000 -1.144 0.000 0.819 341 A HN 0.385 nan 8.150 nan 0.000 0.442 342 N N -0.549 118.007 118.700 -0.240 0.000 2.142 342 N HA -0.168 4.572 4.740 -0.000 0.000 0.186 342 N C 0.867 176.388 175.510 0.019 0.000 1.023 342 N CA 1.392 54.472 53.050 0.050 0.000 0.852 342 N CB -0.119 38.488 38.487 0.200 0.000 0.998 342 N HN 0.330 nan 8.380 nan 0.000 0.424 343 D N 0.731 121.124 120.400 -0.013 0.000 2.178 343 D HA -0.079 4.561 4.640 -0.000 0.000 0.202 343 D C 1.321 177.614 176.300 -0.013 0.000 0.974 343 D CA 0.996 54.993 54.000 -0.005 0.000 0.841 343 D CB -0.030 40.764 40.800 -0.010 0.000 0.953 343 D HN 0.284 nan 8.370 nan 0.000 0.478 344 K N -0.656 119.721 120.400 -0.038 0.000 2.459 344 K HA 0.166 4.486 4.320 -0.000 0.000 0.193 344 K C 0.962 177.550 176.600 -0.020 0.000 1.030 344 K CA 0.567 56.835 56.287 -0.032 0.000 1.026 344 K CB 0.748 33.219 32.500 -0.048 0.000 0.809 344 K HN 0.177 nan 8.250 nan 0.000 0.504 345 G N 0.881 109.675 108.800 -0.009 0.000 2.154 345 G HA2 -0.214 3.746 3.960 -0.000 0.000 0.186 345 G HA3 -0.214 3.746 3.960 -0.000 0.000 0.186 345 G C 0.152 175.072 174.900 0.034 0.000 1.000 345 G CA -0.089 45.021 45.100 0.016 0.000 0.664 345 G HN 0.408 nan 8.290 nan 0.000 0.513 346 A N 0.153 122.987 122.820 0.023 0.000 2.425 346 A HA 0.639 4.959 4.320 -0.000 0.000 0.242 346 A C 0.813 178.530 177.584 0.222 0.000 1.077 346 A CA 1.113 53.200 52.037 0.084 0.000 0.781 346 A CB 0.290 19.273 19.000 -0.029 0.000 1.020 346 A HN 0.852 nan 8.150 nan 0.000 0.494 347 T N 2.388 117.068 114.554 0.210 0.000 2.794 347 T HA 0.462 4.811 4.350 -0.000 0.000 0.304 347 T C 0.421 175.204 174.700 0.138 0.000 0.973 347 T CA 0.417 62.609 62.100 0.154 0.000 0.972 347 T CB 0.198 69.111 68.868 0.075 0.000 0.952 347 T HN 0.942 nan 8.240 nan 0.000 0.509 348 A N 3.825 126.673 122.820 0.048 0.000 2.491 348 A HA 0.367 4.687 4.320 -0.000 0.000 0.261 348 A C 1.045 178.503 177.584 -0.210 0.000 1.101 348 A CA -0.320 51.499 52.037 -0.363 0.000 0.772 348 A CB -0.157 18.599 19.000 -0.407 0.000 1.043 348 A HN 0.967 nan 8.150 nan 0.000 0.501 349 L N 2.255 123.346 121.223 -0.221 0.000 2.607 349 L HA 0.146 4.486 4.340 -0.000 0.000 0.228 349 L C 0.347 177.132 176.870 -0.142 0.000 1.123 349 L CA 0.346 55.109 54.840 -0.129 0.000 0.890 349 L CB -0.078 41.932 42.059 -0.082 0.000 1.103 349 L HN 0.697 nan 8.230 nan 0.000 0.468 350 T N -1.076 113.357 114.554 -0.203 0.000 2.883 350 T HA 0.213 4.563 4.350 -0.000 0.000 0.296 350 T C -0.622 173.972 174.700 -0.177 0.000 1.117 350 T CA -0.691 61.306 62.100 -0.172 0.000 1.006 350 T CB 2.603 71.364 68.868 -0.177 0.000 1.191 350 T HN 0.108 nan 8.240 nan 0.000 0.508 351 E N 1.328 121.453 120.200 -0.125 0.000 2.366 351 E HA 0.303 4.653 4.350 -0.000 0.000 0.266 351 E C -0.927 175.616 176.600 -0.095 0.000 1.051 351 E CA -0.409 55.933 56.400 -0.096 0.000 0.884 351 E CB 0.551 30.212 29.700 -0.066 0.000 1.006 351 E HN 0.498 nan 8.360 nan 0.000 0.417 352 I N 3.316 123.847 120.570 -0.065 0.000 2.304 352 I HA 0.250 4.420 4.170 -0.000 0.000 0.291 352 I C 0.120 176.229 176.117 -0.013 0.000 1.018 352 I CA -0.234 61.048 61.300 -0.030 0.000 1.260 352 I CB 0.722 38.728 38.000 0.010 0.000 1.390 352 I HN 0.496 nan 8.210 nan 0.000 0.475 353 K N 7.010 127.404 120.400 -0.009 0.000 2.565 353 K HA 0.471 4.791 4.320 -0.000 0.000 0.251 353 K C -1.315 175.287 176.600 0.002 0.000 0.956 353 K CA -0.801 55.483 56.287 -0.006 0.000 0.809 353 K CB 1.998 34.488 32.500 -0.018 0.000 1.267 353 K HN 0.553 nan 8.250 nan 0.000 0.438 354 R N 3.096 123.600 120.500 0.007 0.000 2.513 354 R HA 0.312 4.652 4.340 -0.000 0.000 0.301 354 R C -1.411 174.893 176.300 0.007 0.000 0.968 354 R CA -0.483 55.623 56.100 0.011 0.000 0.872 354 R CB 1.737 32.047 30.300 0.017 0.000 1.177 354 R HN 0.641 nan 8.270 nan 0.000 0.444 355 E N 2.809 123.012 120.200 0.006 0.000 2.255 355 E HA 0.368 4.717 4.350 -0.000 0.000 0.256 355 E C -0.030 176.574 176.600 0.005 0.000 0.887 355 E CA 0.326 56.728 56.400 0.004 0.000 0.782 355 E CB 1.780 31.481 29.700 0.001 0.000 1.214 355 E HN 0.932 nan 8.360 nan 0.000 0.417 356 G N 4.042 112.845 108.800 0.005 0.000 2.565 356 G HA2 -0.357 3.603 3.960 -0.000 0.000 0.295 356 G HA3 -0.357 3.603 3.960 -0.000 0.000 0.295 356 G C 0.446 175.350 174.900 0.006 0.000 1.165 356 G CA 0.253 45.355 45.100 0.004 0.000 0.977 356 G HN 0.561 nan 8.290 nan 0.000 0.546 357 N N 0.425 119.129 118.700 0.007 0.000 2.214 357 N HA 0.269 5.009 4.740 -0.000 0.000 0.214 357 N C 0.083 175.599 175.510 0.011 0.000 1.132 357 N CA 0.000 53.055 53.050 0.008 0.000 0.856 357 N CB 0.610 39.098 38.487 0.001 0.000 1.020 357 N HN 0.443 nan 8.380 nan 0.000 0.509 358 L N 1.839 123.068 121.223 0.011 0.000 2.268 358 L HA 0.446 4.786 4.340 -0.000 0.000 0.289 358 L C -0.480 176.398 176.870 0.013 0.000 1.064 358 L CA -0.167 54.680 54.840 0.012 0.000 0.824 358 L CB 0.051 42.116 42.059 0.010 0.000 1.202 358 L HN -0.036 nan 8.230 nan 0.000 0.433 359 I N 4.481 125.062 120.570 0.019 0.000 2.353 359 I HA 0.230 4.400 4.170 -0.000 0.000 0.293 359 I C 0.019 176.147 176.117 0.018 0.000 0.992 359 I CA -0.501 60.813 61.300 0.023 0.000 1.268 359 I CB 1.187 39.211 38.000 0.040 0.000 1.387 359 I HN 0.558 nan 8.210 nan 0.000 0.478 360 C N 7.822 127.122 119.300 0.001 0.000 2.652 360 C HA 0.211 4.671 4.460 -0.000 0.000 0.412 360 C C -1.876 173.100 174.990 -0.023 0.000 1.294 360 C CA -0.841 58.162 59.018 -0.025 0.000 2.127 360 C CB -0.253 27.462 27.740 -0.043 0.000 2.691 360 C HN 0.481 nan 8.230 nan 0.000 0.615 361 P HA 0.251 nan 4.420 nan 0.000 0.267 361 P C -0.746 176.504 177.300 -0.084 0.000 1.209 361 P CA 0.379 63.422 63.100 -0.096 0.000 0.763 361 P CB 0.451 31.850 31.700 -0.501 0.000 0.816 362 I N 3.987 124.603 120.570 0.078 0.000 2.545 362 I HA 0.475 4.645 4.170 -0.000 0.000 0.292 362 I C -1.542 174.610 176.117 0.058 0.000 1.040 362 I CA -1.305 59.976 61.300 -0.031 0.000 1.068 362 I CB 1.911 39.829 38.000 -0.136 0.000 1.251 362 I HN 0.097 nan 8.210 nan 0.000 0.424 363 L N 7.860 129.033 121.223 -0.082 0.000 2.305 363 L HA 0.615 4.955 4.340 -0.000 0.000 0.284 363 L C -1.836 174.931 176.870 -0.171 0.000 1.013 363 L CA 0.117 54.956 54.840 -0.002 0.000 0.819 363 L CB 1.084 43.157 42.059 0.025 0.000 1.227 363 L HN 0.523 nan 8.230 nan 0.000 0.417 364 F N 3.638 123.605 119.950 0.029 0.000 2.444 364 F HA 0.407 4.934 4.527 -0.000 0.000 0.342 364 F C 0.213 176.009 175.800 -0.007 0.000 1.121 364 F CA -0.430 57.573 58.000 0.005 0.000 0.997 364 F CB 1.541 40.538 39.000 -0.006 0.000 1.130 364 F HN 0.502 nan 8.300 nan 0.000 0.454 365 D N 2.580 123.088 120.400 0.180 0.000 2.385 365 D HA 0.310 4.950 4.640 -0.000 0.000 0.254 365 D C -0.330 176.023 176.300 0.090 0.000 1.053 365 D CA -0.310 53.748 54.000 0.096 0.000 0.992 365 D CB 0.979 41.809 40.800 0.050 0.000 1.145 365 D HN 0.480 nan 8.370 nan 0.000 0.523 366 K N -0.146 120.280 120.400 0.045 0.000 3.096 366 K HA -0.106 4.214 4.320 -0.000 0.000 0.266 366 K C -0.533 176.075 176.600 0.012 0.000 1.043 366 K CA 0.101 56.404 56.287 0.027 0.000 0.758 366 K CB -2.247 30.272 32.500 0.031 0.000 1.260 366 K HN 0.181 nan 8.250 nan 0.000 0.481 367 V N 1.742 121.652 119.914 -0.006 0.000 2.555 367 V HA 0.108 4.228 4.120 -0.000 0.000 0.286 367 V C 1.220 177.275 176.094 -0.065 0.000 1.044 367 V CA 0.331 62.600 62.300 -0.052 0.000 1.026 367 V CB 1.414 33.189 31.823 -0.080 0.000 0.981 367 V HN 0.488 nan 8.190 nan 0.000 0.480 368 T N 0.091 114.610 114.554 -0.058 0.000 2.940 368 T HA 0.251 4.601 4.350 -0.000 0.000 0.288 368 T C 1.183 175.876 174.700 -0.012 0.000 1.033 368 T CA 0.157 62.241 62.100 -0.026 0.000 1.033 368 T CB 1.524 70.394 68.868 0.004 0.000 1.079 368 T HN 0.773 nan 8.240 nan 0.000 0.496 369 T N -1.364 113.229 114.554 0.065 0.000 3.077 369 T HA -0.157 4.193 4.350 -0.000 0.000 0.269 369 T C 1.128 176.052 174.700 0.374 0.000 1.146 369 T CA 1.794 64.053 62.100 0.265 0.000 1.091 369 T CB -0.857 68.253 68.868 0.403 0.000 0.892 369 T HN 0.826 nan 8.240 nan 0.000 0.533 370 D N -0.344 120.161 120.400 0.175 0.000 2.350 370 D HA 0.117 4.757 4.640 -0.000 0.000 0.213 370 D C 0.540 176.902 176.300 0.104 0.000 1.031 370 D CA -0.038 54.043 54.000 0.136 0.000 0.861 370 D CB -0.177 40.667 40.800 0.073 0.000 0.926 370 D HN 0.467 nan 8.370 nan 0.000 0.520 371 M N 0.431 120.073 119.600 0.071 0.000 2.233 371 M HA 0.364 4.843 4.480 -0.000 0.000 0.355 371 M C 1.123 177.462 176.300 0.066 0.000 1.191 371 M CA -0.578 54.727 55.300 0.008 0.000 1.101 371 M CB 1.754 34.300 32.600 -0.090 0.000 1.592 371 M HN -0.178 nan 8.290 nan 0.000 0.461 372 R N 0.916 121.448 120.500 0.054 0.000 2.117 372 R HA -0.174 4.166 4.340 -0.000 0.000 0.243 372 R C 1.791 178.130 176.300 0.066 0.000 1.143 372 R CA 1.255 57.416 56.100 0.102 0.000 0.968 372 R CB -0.466 29.854 30.300 0.033 0.000 0.863 372 R HN 0.551 nan 8.270 nan 0.000 0.444 373 L N 0.663 121.855 121.223 -0.053 0.000 2.450 373 L HA -0.048 4.292 4.340 -0.000 0.000 0.224 373 L C 1.997 178.788 176.870 -0.131 0.000 1.149 373 L CA 1.244 56.030 54.840 -0.090 0.000 0.816 373 L CB -0.256 41.701 42.059 -0.170 0.000 0.932 373 L HN 0.109 nan 8.230 nan 0.000 0.449 374 A N -1.588 121.098 122.820 -0.224 0.000 2.014 374 A HA -0.116 4.204 4.320 -0.000 0.000 0.218 374 A C 1.646 178.806 177.584 -0.707 0.000 1.163 374 A CA 1.634 53.321 52.037 -0.583 0.000 0.652 374 A CB -0.632 17.835 19.000 -0.888 0.000 0.808 374 A HN 0.670 nan 8.150 nan 0.000 0.449 375 W N -0.696 120.638 121.300 0.058 0.000 3.471 375 W HA 0.279 4.939 4.660 -0.000 0.000 0.230 375 W C 0.325 176.952 176.519 0.179 0.000 1.105 375 W CA -0.386 57.021 57.345 0.104 0.000 1.631 375 W CB 0.255 29.758 29.460 0.071 0.000 0.848 375 W HN 0.028 nan 8.180 nan 0.000 0.766 376 E N 2.304 122.726 120.200 0.369 0.000 2.338 376 E HA 0.049 4.399 4.350 -0.000 0.000 0.272 376 E C -0.205 176.570 176.600 0.292 0.000 1.029 376 E CA -0.171 56.443 56.400 0.357 0.000 0.872 376 E CB 0.929 30.814 29.700 0.308 0.000 1.015 376 E HN -0.003 nan 8.360 nan 0.000 0.417 377 E N 4.474 124.860 120.200 0.310 0.000 2.299 377 E HA 0.018 4.368 4.350 -0.000 0.000 0.272 377 E C -1.854 174.934 176.600 0.313 0.000 1.043 377 E CA -1.621 54.887 56.400 0.180 0.000 0.895 377 E CB 0.727 30.410 29.700 -0.029 0.000 1.011 377 E HN 0.247 nan 8.360 nan 0.000 0.432 378 P HA 0.078 nan 4.420 nan 0.000 0.217 378 P C -0.334 177.237 177.300 0.452 0.000 1.153 378 P CA 0.058 63.351 63.100 0.322 0.000 0.843 378 P CB 0.197 31.981 31.700 0.139 0.000 0.794 379 F N -0.719 119.298 119.950 0.112 0.000 3.071 379 F HA -0.089 4.438 4.527 -0.000 0.000 0.295 379 F C 0.620 176.469 175.800 0.082 0.000 0.919 379 F CA 0.998 59.056 58.000 0.097 0.000 1.050 379 F CB -1.589 37.500 39.000 0.147 0.000 1.040 379 F HN 0.024 nan 8.300 nan 0.000 0.692 380 G N -0.554 108.306 108.800 0.100 0.000 2.692 380 G HA2 0.650 4.610 3.960 -0.000 0.000 0.291 380 G HA3 0.650 4.610 3.960 -0.000 0.000 0.291 380 G C -3.047 171.875 174.900 0.037 0.000 1.423 380 G CA -1.082 44.058 45.100 0.066 0.000 0.843 380 G HN -0.192 nan 8.290 nan 0.000 0.486 381 P HA 0.285 nan 4.420 nan 0.000 0.225 381 P C -0.507 176.970 177.300 0.294 0.000 1.768 381 P CA -0.151 63.086 63.100 0.228 0.000 0.943 381 P CB 0.158 32.026 31.700 0.280 0.000 1.936 382 V N 2.160 122.150 119.914 0.126 0.000 2.577 382 V HA 0.420 4.540 4.120 -0.000 0.000 0.303 382 V C -0.358 175.762 176.094 0.043 0.000 1.042 382 V CA -0.875 61.522 62.300 0.162 0.000 0.872 382 V CB 2.457 34.382 31.823 0.170 0.000 0.998 382 V HN 0.049 nan 8.190 nan 0.000 0.423 383 L N 8.061 129.338 121.223 0.091 0.000 2.376 383 L HA 0.792 5.132 4.340 -0.000 0.000 0.275 383 L C -2.652 174.278 176.870 0.100 0.000 0.987 383 L CA -1.742 53.099 54.840 0.001 0.000 0.828 383 L CB 2.511 44.501 42.059 -0.116 0.000 1.249 383 L HN 0.427 nan 8.230 nan 0.000 0.409 384 P HA 0.334 nan 4.420 nan 0.000 0.290 384 P C -1.188 176.116 177.300 0.006 0.000 1.276 384 P CA -0.350 62.779 63.100 0.048 0.000 0.808 384 P CB 1.494 33.169 31.700 -0.042 0.000 0.966 385 I N 4.763 125.348 120.570 0.026 0.000 2.362 385 I HA 0.408 4.578 4.170 -0.000 0.000 0.289 385 I C 0.544 176.651 176.117 -0.017 0.000 0.994 385 I CA -0.861 60.439 61.300 0.001 0.000 1.158 385 I CB 1.001 39.010 38.000 0.015 0.000 1.315 385 I HN 0.270 nan 8.210 nan 0.000 0.451 386 I N 6.256 126.802 120.570 -0.040 0.000 2.382 386 I HA 0.372 4.542 4.170 -0.000 0.000 0.286 386 I C 0.249 176.349 176.117 -0.028 0.000 1.002 386 I CA -0.648 60.621 61.300 -0.051 0.000 1.135 386 I CB 1.299 39.239 38.000 -0.100 0.000 1.288 386 I HN 0.409 nan 8.210 nan 0.000 0.448 387 R N 5.208 125.699 120.500 -0.015 0.000 2.357 387 R HA 0.595 4.935 4.340 -0.000 0.000 0.296 387 R C -0.513 175.787 176.300 -0.001 0.000 1.052 387 R CA -0.481 55.617 56.100 -0.004 0.000 0.988 387 R CB 1.474 31.775 30.300 0.002 0.000 1.025 387 R HN 0.533 nan 8.270 nan 0.000 0.469 388 V N -1.213 118.704 119.914 0.005 0.000 3.074 388 V HA 0.558 4.678 4.120 -0.000 0.000 0.314 388 V C 0.586 176.689 176.094 0.014 0.000 1.117 388 V CA -0.569 61.737 62.300 0.010 0.000 1.014 388 V CB 2.074 33.904 31.823 0.012 0.000 1.057 388 V HN 0.925 nan 8.190 nan 0.000 0.438 389 T N -1.963 112.601 114.554 0.016 0.000 3.010 389 T HA 0.419 4.769 4.350 -0.000 0.000 0.257 389 T C 0.592 175.303 174.700 0.018 0.000 1.020 389 T CA 0.550 62.660 62.100 0.017 0.000 0.938 389 T CB -0.322 68.556 68.868 0.016 0.000 1.049 389 T HN 1.650 nan 8.240 nan 0.000 0.522 390 S N -0.675 115.037 115.700 0.020 0.000 2.596 390 S HA 0.572 5.042 4.470 -0.000 0.000 0.270 390 S C 0.590 175.203 174.600 0.022 0.000 1.155 390 S CA -0.488 57.724 58.200 0.021 0.000 0.827 390 S CB 1.509 64.721 63.200 0.020 0.000 1.130 390 S HN -0.134 nan 8.310 nan 0.000 0.467 391 V N 1.904 121.831 119.914 0.022 0.000 2.427 391 V HA -0.109 4.011 4.120 -0.000 0.000 0.248 391 V C 2.605 178.712 176.094 0.021 0.000 1.051 391 V CA 2.237 64.550 62.300 0.021 0.000 1.048 391 V CB -0.988 30.846 31.823 0.019 0.000 0.666 391 V HN 0.936 nan 8.190 nan 0.000 0.456 392 E N 0.508 120.721 120.200 0.021 0.000 2.110 392 E HA -0.286 4.064 4.350 -0.000 0.000 0.193 392 E C 2.013 178.630 176.600 0.028 0.000 0.988 392 E CA 1.432 57.846 56.400 0.023 0.000 0.804 392 E CB -0.435 29.277 29.700 0.021 0.000 0.745 392 E HN 0.765 nan 8.360 nan 0.000 0.458 393 E N 1.183 121.400 120.200 0.029 0.000 2.072 393 E HA -0.124 4.226 4.350 -0.000 0.000 0.191 393 E C 2.072 178.694 176.600 0.037 0.000 0.985 393 E CA 1.048 57.469 56.400 0.034 0.000 0.801 393 E CB -0.064 29.654 29.700 0.030 0.000 0.750 393 E HN 0.234 nan 8.360 nan 0.000 0.452 394 A N 1.298 124.136 122.820 0.029 0.000 1.883 394 A HA -0.194 4.126 4.320 -0.000 0.000 0.217 394 A C 2.179 179.784 177.584 0.034 0.000 1.186 394 A CA 1.498 53.551 52.037 0.027 0.000 0.624 394 A CB -0.716 18.298 19.000 0.023 0.000 0.822 394 A HN 0.343 nan 8.150 nan 0.000 0.444 395 I N -0.663 119.926 120.570 0.032 0.000 2.208 395 I HA -0.278 3.892 4.170 -0.000 0.000 0.245 395 I C 2.579 178.726 176.117 0.050 0.000 1.097 395 I CA 1.720 63.040 61.300 0.033 0.000 1.363 395 I CB -0.425 37.589 38.000 0.023 0.000 1.051 395 I HN 0.455 nan 8.210 nan 0.000 0.413 396 E N 0.813 121.046 120.200 0.055 0.000 2.051 396 E HA -0.195 4.155 4.350 -0.000 0.000 0.192 396 E C 2.310 178.981 176.600 0.118 0.000 0.991 396 E CA 1.262 57.705 56.400 0.071 0.000 0.799 396 E CB -0.031 29.707 29.700 0.064 0.000 0.748 396 E HN 0.473 nan 8.360 nan 0.000 0.449 397 I N 0.427 121.070 120.570 0.122 0.000 2.315 397 I HA -0.252 3.918 4.170 -0.000 0.000 0.248 397 I C 2.634 178.863 176.117 0.186 0.000 1.117 397 I CA 0.593 61.999 61.300 0.177 0.000 1.404 397 I CB -0.232 37.812 38.000 0.072 0.000 1.071 397 I HN 0.064 nan 8.210 nan 0.000 0.419 398 S N 1.181 116.947 115.700 0.110 0.000 2.348 398 S HA -0.171 4.299 4.470 -0.000 0.000 0.221 398 S C 1.761 176.448 174.600 0.145 0.000 1.033 398 S CA 1.753 60.017 58.200 0.106 0.000 1.010 398 S CB -0.227 63.010 63.200 0.062 0.000 0.891 398 S HN 0.417 nan 8.310 nan 0.000 0.442 399 N N 0.989 119.759 118.700 0.116 0.000 2.494 399 N HA 0.003 4.743 4.740 -0.000 0.000 0.182 399 N C 1.418 176.991 175.510 0.105 0.000 1.076 399 N CA 0.541 53.647 53.050 0.094 0.000 0.908 399 N CB -0.262 38.258 38.487 0.055 0.000 0.967 399 N HN 0.501 nan 8.380 nan 0.000 0.449 400 K N 0.767 121.268 120.400 0.168 0.000 2.283 400 K HA 0.047 4.367 4.320 -0.000 0.000 0.202 400 K C 0.691 177.330 176.600 0.065 0.000 1.048 400 K CA 0.200 56.552 56.287 0.109 0.000 0.948 400 K CB -0.025 32.591 32.500 0.193 0.000 0.742 400 K HN -0.055 nan 8.250 nan 0.000 0.458 401 S N 1.130 117.007 115.700 0.295 0.000 2.568 401 S HA -0.055 4.415 4.470 -0.000 0.000 0.282 401 S C 1.020 175.649 174.600 0.049 0.000 1.338 401 S CA -0.172 58.194 58.200 0.277 0.000 1.045 401 S CB 0.631 64.070 63.200 0.398 0.000 0.873 401 S HN 0.491 nan 8.310 nan 0.000 0.516 402 E N 2.966 123.105 120.200 -0.101 0.000 2.482 402 E HA -0.084 4.266 4.350 -0.000 0.000 0.196 402 E C -0.617 175.846 176.600 -0.228 0.000 1.047 402 E CA 0.549 56.817 56.400 -0.219 0.000 0.869 402 E CB -0.105 29.391 29.700 -0.341 0.000 0.836 402 E HN 0.698 nan 8.360 nan 0.000 0.520 403 Y N 0.355 120.708 120.300 0.087 0.000 2.335 403 Y HA 0.534 5.084 4.550 -0.000 0.000 0.323 403 Y C 1.064 177.000 175.900 0.061 0.000 1.224 403 Y CA -0.216 57.930 58.100 0.076 0.000 1.241 403 Y CB 2.056 40.576 38.460 0.101 0.000 1.235 403 Y HN 0.009 nan 8.280 nan 0.000 0.492 404 G N 2.063 110.990 108.800 0.212 0.000 4.485 404 G HA2 0.262 4.222 3.960 -0.000 0.000 0.238 404 G HA3 0.262 4.222 3.960 -0.000 0.000 0.238 404 G C -0.403 174.529 174.900 0.054 0.000 1.216 404 G CA -0.209 44.955 45.100 0.108 0.000 0.611 404 G HN 0.558 nan 8.290 nan 0.000 0.422 405 L N -0.061 121.199 121.223 0.062 0.000 2.115 405 L HA 0.538 4.878 4.340 -0.000 0.000 0.200 405 L C 1.036 177.905 176.870 -0.001 0.000 1.094 405 L CA 1.758 56.597 54.840 -0.000 0.000 0.769 405 L CB -0.291 41.795 42.059 0.044 0.000 0.931 405 L HN 0.428 nan 8.230 nan 0.000 0.455 406 Q N -1.720 118.113 119.800 0.054 0.000 2.615 406 Q HA 0.725 5.065 4.340 -0.000 0.000 0.298 406 Q C -1.583 174.454 176.000 0.061 0.000 1.023 406 Q CA -0.644 55.200 55.803 0.068 0.000 0.768 406 Q CB 2.219 31.048 28.738 0.152 0.000 1.500 406 Q HN 0.301 nan 8.270 nan 0.000 0.441 407 A N 0.441 123.291 122.820 0.050 0.000 2.587 407 A HA 0.788 5.108 4.320 -0.000 0.000 0.293 407 A C -1.323 176.270 177.584 0.015 0.000 1.087 407 A CA -0.512 51.542 52.037 0.028 0.000 0.692 407 A CB 2.231 21.230 19.000 -0.002 0.000 1.291 407 A HN 0.414 nan 8.150 nan 0.000 0.407 408 S N -0.006 115.692 115.700 -0.003 0.000 2.503 408 S HA 0.770 5.240 4.470 -0.000 0.000 0.301 408 S C -0.856 173.638 174.600 -0.177 0.000 1.087 408 S CA -0.312 57.822 58.200 -0.110 0.000 1.042 408 S CB 0.760 63.967 63.200 0.012 0.000 1.043 408 S HN 0.489 nan 8.310 nan 0.000 0.489 409 I N 3.034 123.367 120.570 -0.395 0.000 2.478 409 I HA 0.404 4.574 4.170 -0.000 0.000 0.287 409 I C -1.527 174.299 176.117 -0.485 0.000 1.042 409 I CA -0.436 60.690 61.300 -0.290 0.000 1.067 409 I CB 1.429 39.288 38.000 -0.234 0.000 1.233 409 I HN 0.470 nan 8.210 nan 0.000 0.431 410 F N 4.275 124.201 119.950 -0.041 0.000 2.388 410 F HA 0.666 5.193 4.527 -0.000 0.000 0.358 410 F C 0.463 176.257 175.800 -0.011 0.000 1.122 410 F CA -0.426 57.563 58.000 -0.018 0.000 1.056 410 F CB 1.868 40.869 39.000 0.002 0.000 1.155 410 F HN 0.367 nan 8.300 nan 0.000 0.461 411 T N 1.440 116.060 114.554 0.109 0.000 2.775 411 T HA 0.238 4.588 4.350 -0.000 0.000 0.320 411 T C -0.372 174.409 174.700 0.135 0.000 1.597 411 T CA -0.683 61.472 62.100 0.092 0.000 1.022 411 T CB 1.248 70.133 68.868 0.027 0.000 1.485 411 T HN 0.393 nan 8.240 nan 0.000 0.494 412 N N 1.497 120.288 118.700 0.151 0.000 2.236 412 N HA 0.203 4.943 4.740 -0.000 0.000 0.196 412 N C -0.772 174.878 175.510 0.233 0.000 1.114 412 N CA 0.005 53.176 53.050 0.202 0.000 0.859 412 N CB 0.461 39.031 38.487 0.138 0.000 0.982 412 N HN 0.565 nan 8.380 nan 0.000 0.493 413 D N -0.196 120.321 120.400 0.194 0.000 2.477 413 D HA 0.126 4.766 4.640 -0.000 0.000 0.239 413 D C 0.532 176.965 176.300 0.222 0.000 1.102 413 D CA -0.547 53.564 54.000 0.185 0.000 0.901 413 D CB 0.005 40.868 40.800 0.106 0.000 1.026 413 D HN -0.155 nan 8.370 nan 0.000 0.515 414 F N 3.041 123.032 119.950 0.068 0.000 2.102 414 F HA 0.012 4.539 4.527 -0.000 0.000 0.298 414 F C -0.594 175.303 175.800 0.162 0.000 1.105 414 F CA 0.548 58.616 58.000 0.114 0.000 1.239 414 F CB -1.152 37.917 39.000 0.116 0.000 0.991 414 F HN 0.394 nan 8.300 nan 0.000 0.474 415 P HA -0.191 nan 4.420 nan 0.000 0.216 415 P C 1.612 179.002 177.300 0.150 0.000 1.150 415 P CA 1.676 64.874 63.100 0.164 0.000 0.837 415 P CB -0.168 31.584 31.700 0.088 0.000 0.786 416 R N -0.077 120.491 120.500 0.112 0.000 2.075 416 R HA -0.058 4.282 4.340 -0.000 0.000 0.232 416 R C 2.130 178.458 176.300 0.047 0.000 1.126 416 R CA 1.509 57.651 56.100 0.071 0.000 0.963 416 R CB -0.825 29.507 30.300 0.053 0.000 0.858 416 R HN 0.029 nan 8.270 nan 0.000 0.435 417 A N 0.245 123.068 122.820 0.006 0.000 1.940 417 A HA -0.187 4.133 4.320 -0.000 0.000 0.219 417 A C 1.959 179.485 177.584 -0.096 0.000 1.176 417 A CA 1.286 53.255 52.037 -0.114 0.000 0.631 417 A CB -0.738 18.066 19.000 -0.327 0.000 0.814 417 A HN 0.436 nan 8.150 nan 0.000 0.446 418 F N 0.183 120.070 119.950 -0.105 0.000 2.186 418 F HA 0.013 4.540 4.527 0.000 0.000 0.299 418 F C 2.530 178.301 175.800 -0.049 0.000 1.090 418 F CA 1.241 59.199 58.000 -0.071 0.000 1.307 418 F CB -0.371 38.614 39.000 -0.024 0.000 1.019 418 F HN 0.297 nan 8.300 nan 0.000 0.489 419 G N -0.129 108.761 108.800 0.149 0.000 2.408 419 G HA2 -0.185 3.775 3.960 -0.000 0.000 0.217 419 G HA3 -0.185 3.775 3.960 -0.000 0.000 0.217 419 G C 1.721 176.637 174.900 0.027 0.000 1.150 419 G CA 0.825 45.973 45.100 0.080 0.000 0.776 419 G HN 0.349 nan 8.290 nan 0.000 0.542 420 I N 1.323 121.892 120.570 -0.002 0.000 2.252 420 I HA -0.110 4.060 4.170 -0.000 0.000 0.245 420 I C 3.272 179.356 176.117 -0.055 0.000 1.102 420 I CA 0.868 62.151 61.300 -0.028 0.000 1.385 420 I CB -0.168 37.809 38.000 -0.039 0.000 1.064 420 I HN 0.220 nan 8.210 nan 0.000 0.414 421 A N 0.552 123.308 122.820 -0.106 0.000 1.908 421 A HA -0.262 4.058 4.320 -0.000 0.000 0.218 421 A C 2.200 179.726 177.584 -0.096 0.000 1.181 421 A CA 1.867 53.813 52.037 -0.152 0.000 0.627 421 A CB -0.687 18.131 19.000 -0.304 0.000 0.818 421 A HN 0.459 nan 8.150 nan 0.000 0.445 422 E N -0.580 119.589 120.200 -0.052 0.000 2.171 422 E HA -0.254 4.096 4.350 -0.000 0.000 0.197 422 E C 2.163 178.754 176.600 -0.017 0.000 0.997 422 E CA 1.517 57.906 56.400 -0.018 0.000 0.810 422 E CB -0.171 29.542 29.700 0.022 0.000 0.738 422 E HN 0.775 nan 8.360 nan 0.000 0.467 423 Q N -0.039 119.752 119.800 -0.016 0.000 2.354 423 Q HA 0.087 4.427 4.340 -0.000 0.000 0.203 423 Q C 0.433 176.428 176.000 -0.009 0.000 0.933 423 Q CA 0.035 55.834 55.803 -0.007 0.000 0.901 423 Q CB 0.301 29.039 28.738 0.000 0.000 1.007 423 Q HN 0.228 nan 8.270 nan 0.000 0.495 424 L N 2.351 123.561 121.223 -0.022 0.000 2.462 424 L HA 0.022 4.362 4.340 -0.000 0.000 0.272 424 L C 0.061 176.922 176.870 -0.015 0.000 1.166 424 L CA 0.225 55.055 54.840 -0.016 0.000 0.880 424 L CB 0.413 42.453 42.059 -0.032 0.000 1.142 424 L HN 0.094 nan 8.230 nan 0.000 0.473 425 E N 3.884 124.085 120.200 0.002 0.000 1.979 425 E HA 0.224 4.574 4.350 -0.000 0.000 0.285 425 E C -0.539 176.063 176.600 0.004 0.000 1.188 425 E CA -0.235 56.166 56.400 0.001 0.000 1.214 425 E CB 0.302 30.008 29.700 0.011 0.000 1.210 425 E HN 0.434 nan 8.360 nan 0.000 0.477 426 V N -2.507 117.397 119.914 -0.017 0.000 3.181 426 V HA 0.683 4.803 4.120 -0.000 0.000 0.308 426 V C 0.909 176.968 176.094 -0.058 0.000 1.214 426 V CA -0.623 61.663 62.300 -0.023 0.000 1.053 426 V CB 1.362 33.177 31.823 -0.014 0.000 1.069 426 V HN 0.285 nan 8.190 nan 0.000 0.441 427 G N 0.193 108.943 108.800 -0.082 0.000 2.411 427 G HA2 0.320 4.280 3.960 -0.000 0.000 0.213 427 G HA3 0.320 4.280 3.960 -0.000 0.000 0.213 427 G C 0.506 175.332 174.900 -0.124 0.000 1.166 427 G CA 1.063 46.090 45.100 -0.122 0.000 0.802 427 G HN 0.873 nan 8.290 nan 0.000 0.533 428 T N -0.198 114.297 114.554 -0.099 0.000 2.893 428 T HA 0.559 4.909 4.350 -0.000 0.000 0.293 428 T C -1.223 173.402 174.700 -0.125 0.000 1.027 428 T CA -0.374 61.647 62.100 -0.131 0.000 0.988 428 T CB 2.834 71.657 68.868 -0.074 0.000 1.043 428 T HN -0.074 nan 8.240 nan 0.000 0.461 429 V N 3.217 122.989 119.914 -0.236 0.000 2.444 429 V HA 0.371 4.491 4.120 -0.000 0.000 0.294 429 V C -0.880 175.016 176.094 -0.330 0.000 1.022 429 V CA -0.856 61.312 62.300 -0.219 0.000 0.850 429 V CB 1.239 32.909 31.823 -0.255 0.000 0.992 429 V HN 0.879 nan 8.190 nan 0.000 0.426 430 H N 4.300 123.257 119.070 -0.188 0.000 2.517 430 H HA 0.569 5.125 4.556 -0.000 0.000 0.317 430 H C -0.179 174.955 175.328 -0.322 0.000 1.080 430 H CA -0.257 55.674 56.048 -0.195 0.000 1.301 430 H CB 1.229 30.918 29.762 -0.122 0.000 1.425 430 H HN 0.529 nan 8.280 nan 0.000 0.471 431 I N 3.447 123.871 120.570 -0.244 0.000 2.315 431 I HA 0.056 4.226 4.170 -0.000 0.000 0.291 431 I C 0.042 175.985 176.117 -0.289 0.000 1.006 431 I CA -0.550 60.509 61.300 -0.401 0.000 1.265 431 I CB 0.686 38.297 38.000 -0.648 0.000 1.387 431 I HN 0.755 nan 8.210 nan 0.000 0.475 432 N N 4.266 122.667 118.700 -0.499 0.000 2.721 432 N HA -0.208 4.532 4.740 -0.000 0.000 0.249 432 N C -0.836 174.626 175.510 -0.079 0.000 1.072 432 N CA 0.820 53.700 53.050 -0.283 0.000 0.710 432 N CB -1.080 37.458 38.487 0.086 0.000 0.993 432 N HN 0.679 nan 8.380 nan 0.000 0.547 433 N N -0.158 118.401 118.700 -0.235 0.000 2.710 433 N HA 0.177 4.917 4.740 -0.000 0.000 0.257 433 N C -0.480 175.029 175.510 -0.002 0.000 1.327 433 N CA -0.657 52.407 53.050 0.024 0.000 0.861 433 N CB 1.708 40.227 38.487 0.053 0.000 1.532 433 N HN 0.184 nan 8.380 nan 0.000 0.499 434 K N -0.625 119.823 120.400 0.079 0.000 2.180 434 K HA 0.310 4.630 4.320 -0.000 0.000 0.251 434 K C 0.086 176.558 176.600 -0.214 0.000 1.014 434 K CA -0.249 56.065 56.287 0.046 0.000 0.913 434 K CB 0.041 32.568 32.500 0.045 0.000 1.008 434 K HN 0.528 nan 8.250 nan 0.000 0.490 435 T N -0.195 114.267 114.554 -0.154 0.000 2.860 435 T HA 0.197 4.547 4.350 -0.000 0.000 0.299 435 T C -0.215 174.312 174.700 -0.289 0.000 1.045 435 T CA -0.569 61.378 62.100 -0.255 0.000 1.071 435 T CB 0.513 69.387 68.868 0.010 0.000 0.985 435 T HN 0.784 nan 8.240 nan 0.000 0.537 436 Q N -0.539 119.097 119.800 -0.273 0.000 2.666 436 Q HA 0.329 4.669 4.340 -0.000 0.000 0.276 436 Q C 0.398 176.420 176.000 0.037 0.000 0.952 436 Q CA -1.207 54.523 55.803 -0.122 0.000 0.850 436 Q CB 1.182 29.810 28.738 -0.183 0.000 1.512 436 Q HN 0.622 nan 8.270 nan 0.000 0.395 437 R N 1.210 121.653 120.500 -0.096 0.000 2.115 437 R HA 0.089 4.429 4.340 -0.000 0.000 0.226 437 R C 0.624 176.866 176.300 -0.097 0.000 1.100 437 R CA 1.313 57.268 56.100 -0.241 0.000 0.980 437 R CB -0.370 29.461 30.300 -0.782 0.000 0.875 437 R HN 0.709 nan 8.270 nan 0.000 0.445 438 G N -0.090 108.640 108.800 -0.116 0.000 2.667 438 G HA2 0.026 3.986 3.960 -0.000 0.000 0.250 438 G HA3 0.026 3.986 3.960 -0.000 0.000 0.250 438 G C -0.754 174.099 174.900 -0.079 0.000 1.212 438 G CA -0.381 44.632 45.100 -0.145 0.000 0.874 438 G HN 0.171 nan 8.290 nan 0.000 0.561 439 T N -0.305 113.941 114.554 -0.513 0.000 2.913 439 T HA 0.113 4.463 4.350 -0.000 0.000 0.297 439 T C 1.242 175.640 174.700 -0.504 0.000 1.029 439 T CA -0.271 61.460 62.100 -0.616 0.000 1.104 439 T CB 0.451 68.773 68.868 -0.910 0.000 0.964 439 T HN 0.485 nan 8.240 nan 0.000 0.532 440 D N 2.324 122.497 120.400 -0.378 0.000 2.384 440 D HA -0.117 4.523 4.640 -0.000 0.000 0.222 440 D C 1.633 177.801 176.300 -0.220 0.000 0.976 440 D CA 0.612 54.450 54.000 -0.271 0.000 0.915 440 D CB 0.129 40.781 40.800 -0.248 0.000 0.896 440 D HN 0.610 nan 8.370 nan 0.000 0.523 441 N N 0.395 118.904 118.700 -0.318 0.000 2.446 441 N HA -0.119 4.621 4.740 -0.000 0.000 0.179 441 N C 0.809 176.499 175.510 0.300 0.000 1.054 441 N CA 0.012 52.995 53.050 -0.113 0.000 0.905 441 N CB -0.571 37.793 38.487 -0.205 0.000 0.973 441 N HN 0.184 nan 8.380 nan 0.000 0.448 442 F N 2.337 122.329 119.950 0.069 0.000 2.450 442 F HA 0.211 4.738 4.527 -0.000 0.000 0.339 442 F C -1.458 174.396 175.800 0.091 0.000 1.146 442 F CA -2.164 55.900 58.000 0.106 0.000 1.267 442 F CB 0.426 39.452 39.000 0.043 0.000 1.178 442 F HN -0.135 nan 8.300 nan 0.000 0.585 443 P HA 0.013 nan 4.420 nan 0.000 0.272 443 P C -1.121 176.171 177.300 -0.013 0.000 1.223 443 P CA 0.132 62.996 63.100 -0.393 0.000 0.784 443 P CB 0.745 31.981 31.700 -0.773 0.000 0.923 444 F N 4.750 124.609 119.950 -0.153 0.000 2.612 444 F HA 0.578 5.105 4.527 -0.000 0.000 0.332 444 F C -1.282 174.486 175.800 -0.053 0.000 1.167 444 F CA -0.816 57.151 58.000 -0.055 0.000 0.970 444 F CB 0.818 39.812 39.000 -0.009 0.000 1.234 444 F HN 0.264 nan 8.300 nan 0.000 0.453 445 L N 3.436 124.247 121.223 -0.686 0.000 2.622 445 L HA 1.079 5.419 4.340 -0.000 0.000 0.258 445 L C -1.198 175.405 176.870 -0.445 0.000 0.996 445 L CA -0.982 53.557 54.840 -0.502 0.000 0.858 445 L CB 2.008 43.914 42.059 -0.254 0.000 1.449 445 L HN 0.726 nan 8.230 nan 0.000 0.411 446 G N 0.217 108.846 108.800 -0.284 0.000 2.524 446 G HA2 0.796 4.756 3.960 -0.000 0.000 0.310 446 G HA3 0.796 4.756 3.960 -0.000 0.000 0.310 446 G C -0.972 173.882 174.900 -0.076 0.000 1.279 446 G CA -0.291 44.714 45.100 -0.159 0.000 0.974 446 G HN 1.024 nan 8.290 nan 0.000 0.484 447 A N 1.247 124.045 122.820 -0.037 0.000 2.242 447 A HA 0.850 5.170 4.320 -0.000 0.000 0.304 447 A C 0.985 178.574 177.584 0.009 0.000 1.100 447 A CA 0.158 52.185 52.037 -0.017 0.000 0.860 447 A CB 0.387 19.378 19.000 -0.015 0.000 1.168 447 A HN 1.003 nan 8.150 nan 0.000 0.503 448 K N -1.336 119.065 120.400 0.001 0.000 1.824 448 K HA -0.198 4.122 4.320 -0.000 0.000 0.120 448 K C 0.448 177.052 176.600 0.006 0.000 1.268 448 K CA 1.846 58.132 56.287 -0.003 0.000 0.420 448 K CB -0.770 31.727 32.500 -0.006 0.000 0.586 448 K HN 0.561 nan 8.250 nan 0.000 0.907 449 K N 1.110 121.510 120.400 -0.001 0.000 2.505 449 K HA 0.128 4.448 4.320 -0.000 0.000 0.192 449 K C 1.328 178.011 176.600 0.137 0.000 1.025 449 K CA 0.657 56.953 56.287 0.016 0.000 1.086 449 K CB 0.426 32.865 32.500 -0.101 0.000 0.840 449 K HN 0.271 nan 8.250 nan 0.000 0.514 450 S N -0.066 115.725 115.700 0.152 0.000 2.528 450 S HA 0.171 4.641 4.470 -0.000 0.000 0.219 450 S C 0.795 175.448 174.600 0.088 0.000 0.985 450 S CA 0.375 58.680 58.200 0.174 0.000 0.914 450 S CB 0.541 63.827 63.200 0.144 0.000 0.776 450 S HN 0.531 nan 8.310 nan 0.000 0.526 451 G N -0.133 108.700 108.800 0.056 0.000 2.328 451 G HA2 0.557 4.517 3.960 -0.000 0.000 0.295 451 G HA3 0.557 4.517 3.960 -0.000 0.000 0.295 451 G C -2.139 172.774 174.900 0.023 0.000 1.413 451 G CA -0.116 45.007 45.100 0.039 0.000 0.817 451 G HN 0.342 nan 8.290 nan 0.000 0.546 452 A N -0.667 122.174 122.820 0.035 0.000 2.408 452 A HA 1.126 5.446 4.320 -0.000 0.000 0.295 452 A C 0.461 178.072 177.584 0.045 0.000 1.040 452 A CA 0.566 52.618 52.037 0.025 0.000 0.707 452 A CB 1.290 20.301 19.000 0.018 0.000 1.235 452 A HN 2.846 nan 8.150 nan 0.000 0.418 453 G N 0.392 109.215 108.800 0.039 0.000 2.730 453 G HA2 0.108 4.068 3.960 -0.000 0.000 0.686 453 G HA3 0.108 4.068 3.960 -0.000 0.000 0.686 453 G C -0.722 174.207 174.900 0.049 0.000 1.343 453 G CA -0.352 44.794 45.100 0.075 0.000 0.826 453 G HN 1.308 nan 8.290 nan 0.000 0.582 454 I N 0.950 121.567 120.570 0.079 0.000 2.378 454 I HA 0.477 4.647 4.170 -0.000 0.000 0.291 454 I C 0.611 176.806 176.117 0.130 0.000 0.992 454 I CA -0.644 60.674 61.300 0.030 0.000 1.154 454 I CB 1.775 39.760 38.000 -0.025 0.000 1.315 454 I HN 0.680 nan 8.210 nan 0.000 0.448 455 Q N 2.814 122.686 119.800 0.119 0.000 2.699 455 Q HA 0.789 5.129 4.340 -0.000 0.000 0.240 455 Q C -0.345 175.811 176.000 0.258 0.000 1.033 455 Q CA -0.714 55.228 55.803 0.232 0.000 0.938 455 Q CB 2.183 31.104 28.738 0.305 0.000 1.312 455 Q HN 0.893 nan 8.270 nan 0.000 0.507 456 G N -0.965 107.999 108.800 0.274 0.000 2.788 456 G HA2 -0.163 3.797 3.960 -0.000 0.000 0.686 456 G HA3 -0.163 3.797 3.960 -0.000 0.000 0.686 456 G C 0.294 175.397 174.900 0.337 0.000 1.147 456 G CA -0.437 44.839 45.100 0.294 0.000 0.755 456 G HN 0.417 nan 8.290 nan 0.000 0.634 457 V N 2.964 123.003 119.914 0.209 0.000 2.218 457 V HA -0.355 3.765 4.120 -0.000 0.000 0.251 457 V C 3.116 179.290 176.094 0.133 0.000 1.057 457 V CA 3.430 65.833 62.300 0.171 0.000 1.022 457 V CB -0.717 31.234 31.823 0.213 0.000 0.645 457 V HN 1.095 nan 8.190 nan 0.000 0.451 458 K N -0.695 119.737 120.400 0.053 0.000 2.209 458 K HA -0.202 4.118 4.320 -0.000 0.000 0.204 458 K C 2.038 178.537 176.600 -0.168 0.000 1.048 458 K CA 2.207 58.422 56.287 -0.120 0.000 0.940 458 K CB -0.577 31.770 32.500 -0.255 0.000 0.729 458 K HN 0.543 nan 8.250 nan 0.000 0.451 459 Y N 1.977 122.326 120.300 0.081 0.000 2.263 459 Y HA -0.014 4.536 4.550 -0.000 0.000 0.292 459 Y C 2.694 178.634 175.900 0.066 0.000 1.130 459 Y CA 1.038 59.182 58.100 0.074 0.000 1.179 459 Y CB -0.093 38.418 38.460 0.086 0.000 0.998 459 Y HN 0.055 nan 8.280 nan 0.000 0.532 460 S N 0.286 116.113 115.700 0.211 0.000 2.382 460 S HA -0.152 4.318 4.470 -0.000 0.000 0.228 460 S C 2.007 176.625 174.600 0.030 0.000 1.027 460 S CA 1.314 59.583 58.200 0.116 0.000 0.991 460 S CB -0.452 62.809 63.200 0.101 0.000 0.823 460 S HN 0.363 nan 8.310 nan 0.000 0.469 461 I N 1.346 121.933 120.570 0.028 0.000 2.252 461 I HA -0.149 4.021 4.170 -0.000 0.000 0.245 461 I C 2.598 178.711 176.117 -0.007 0.000 1.102 461 I CA 1.166 62.465 61.300 -0.001 0.000 1.385 461 I CB -0.308 37.691 38.000 -0.002 0.000 1.064 461 I HN 0.308 nan 8.210 nan 0.000 0.414 462 E N 0.880 121.084 120.200 0.007 0.000 2.072 462 E HA -0.202 4.148 4.350 -0.000 0.000 0.191 462 E C 2.351 178.981 176.600 0.050 0.000 0.985 462 E CA 1.259 57.672 56.400 0.022 0.000 0.801 462 E CB -0.095 29.622 29.700 0.027 0.000 0.750 462 E HN 0.491 nan 8.360 nan 0.000 0.452 463 A N 1.099 123.962 122.820 0.072 0.000 1.877 463 A HA -0.135 4.185 4.320 -0.000 0.000 0.216 463 A C 1.956 179.547 177.584 0.011 0.000 1.186 463 A CA 1.274 53.386 52.037 0.124 0.000 0.620 463 A CB -0.340 18.776 19.000 0.194 0.000 0.822 463 A HN 0.151 nan 8.150 nan 0.000 0.443 464 M N 0.906 120.377 119.600 -0.216 0.000 2.652 464 M HA 0.087 4.567 4.480 -0.000 0.000 0.226 464 M C -0.096 176.130 176.300 -0.124 0.000 1.244 464 M CA 0.353 55.410 55.300 -0.405 0.000 0.986 464 M CB -0.278 31.968 32.600 -0.589 0.000 1.666 464 M HN 0.539 nan 8.290 nan 0.000 0.460 465 T N -4.342 110.200 114.554 -0.020 0.000 2.896 465 T HA 0.623 4.973 4.350 -0.000 0.000 0.297 465 T C -0.350 174.381 174.700 0.052 0.000 1.108 465 T CA -0.765 61.349 62.100 0.024 0.000 1.004 465 T CB 2.776 71.663 68.868 0.032 0.000 1.159 465 T HN 0.008 nan 8.240 nan 0.000 0.499 466 T N -0.516 114.069 114.554 0.052 0.000 2.762 466 T HA 0.734 5.084 4.350 -0.000 0.000 0.272 466 T C -1.306 173.419 174.700 0.043 0.000 0.982 466 T CA -0.595 61.538 62.100 0.053 0.000 1.013 466 T CB 1.641 70.542 68.868 0.055 0.000 1.309 466 T HN 0.654 nan 8.240 nan 0.000 0.572 467 V N 1.835 121.771 119.914 0.037 0.000 2.680 467 V HA 0.744 4.864 4.120 -0.000 0.000 0.309 467 V C -0.962 175.150 176.094 0.029 0.000 1.052 467 V CA -0.731 61.588 62.300 0.032 0.000 0.908 467 V CB 2.008 33.847 31.823 0.027 0.000 1.001 467 V HN 0.871 nan 8.190 nan 0.000 0.431 468 K N 2.805 123.223 120.400 0.029 0.000 2.450 468 K HA 0.571 4.891 4.320 -0.000 0.000 0.257 468 K C -0.739 175.879 176.600 0.030 0.000 0.953 468 K CA 0.031 56.334 56.287 0.028 0.000 0.844 468 K CB 1.717 34.234 32.500 0.028 0.000 1.103 468 K HN 0.613 nan 8.250 nan 0.000 0.429 469 S N 3.547 119.262 115.700 0.027 0.000 2.442 469 S HA 0.555 5.025 4.470 -0.000 0.000 0.297 469 S C -1.085 173.541 174.600 0.042 0.000 1.131 469 S CA -0.619 57.599 58.200 0.029 0.000 1.092 469 S CB 0.672 63.881 63.200 0.015 0.000 0.998 469 S HN 0.359 nan 8.310 nan 0.000 0.478 470 V N 6.383 126.337 119.914 0.067 0.000 2.326 470 V HA 0.426 4.546 4.120 -0.000 0.000 0.281 470 V C -0.367 175.820 176.094 0.154 0.000 1.015 470 V CA -0.671 61.691 62.300 0.104 0.000 0.823 470 V CB 1.358 33.245 31.823 0.107 0.000 1.009 470 V HN 0.739 nan 8.190 nan 0.000 0.436 471 V N 6.713 126.702 119.914 0.126 0.000 2.472 471 V HA 0.721 4.841 4.120 -0.000 0.000 0.290 471 V C -0.330 175.880 176.094 0.194 0.000 1.037 471 V CA -0.407 61.946 62.300 0.088 0.000 0.908 471 V CB 1.226 33.063 31.823 0.023 0.000 0.985 471 V HN 0.828 nan 8.190 nan 0.000 0.454 472 F N 1.295 121.246 119.950 0.001 0.000 2.713 472 F HA 0.736 5.263 4.527 -0.000 0.000 0.311 472 F C -1.397 174.405 175.800 0.004 0.000 1.141 472 F CA -1.313 56.689 58.000 0.002 0.000 0.939 472 F CB 1.372 40.373 39.000 0.002 0.000 1.325 472 F HN 0.330 nan 8.300 nan 0.000 0.453 473 D N 2.220 122.694 120.400 0.122 0.000 2.193 473 D HA 0.518 5.158 4.640 -0.000 0.000 0.244 473 D C -0.265 176.126 176.300 0.152 0.000 1.064 473 D CA 0.052 54.065 54.000 0.021 0.000 0.845 473 D CB 2.071 42.897 40.800 0.043 0.000 1.148 473 D HN 0.586 nan 8.370 nan 0.000 0.464 474 I N 2.305 122.896 120.570 0.035 0.000 2.472 474 I HA 0.147 4.317 4.170 -0.000 0.000 0.290 474 I C 1.001 177.167 176.117 0.082 0.000 1.016 474 I CA -0.360 61.012 61.300 0.121 0.000 1.348 474 I CB 0.612 38.641 38.000 0.047 0.000 1.417 474 I HN 0.007 nan 8.210 nan 0.000 0.521 475 K N 0.000 120.453 120.400 0.088 0.000 2.780 475 K HA 0.000 4.320 4.320 -0.000 0.000 0.191 475 K CA 0.000 56.320 56.287 0.055 0.000 0.838 475 K CB 0.000 32.531 32.500 0.052 0.000 1.064 475 K HN 0.000 nan 8.250 nan 0.000 0.543