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 3iyf_1_A DATA FIRST_RESID 7 DATA SEQUENCE VLPENMKRYM GRDAQRMNIL AGRIIAETVR STLGPKGMDK MLVDDLGDVV DATA SEQUENCE VTNDGVTILR EMSVEHPAAK MLIEVAKTQE KEVGDGTTTA VVVAGELLRK DATA SEQUENCE AEELLDQNVH PTIVVKGYQA AAQKAQELLK TIACEVGAQD KEILTKIAMT DATA SEQUENCE SITGKGAEKA KEKLAEIIVE AVSAVVDDEG KVDKDLIKIE KKSGASIDDT DATA SEQUENCE ELIKGVLVDK ERVSAQMPKK VTDAKIALLN CAIEETASEM LKDMVAEIKA DATA SEQUENCE SGANVLFCQK GIDDLAQHYL AKEGIVAARR VKKSDMEKLA KATGANVITN DATA SEQUENCE IKDLSAQDLG DAGLVEERKI SGDSMIFVEE CKHPKAVTML IRGTTEHVIE DATA SEQUENCE EVARAVDDAV GVVGCTIEDG RIVSGGGSTE VELSMKLREY AEGISGREQL DATA SEQUENCE AVRAFADALE VIPRTLAENA GLDAIEILVK VRAAHASNGN KCAGLNVFTG DATA SEQUENCE AVEDMCENGV VEPLRVKTQA IQSAAESTEM LLRIDDVIAA E 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 7 V HA 0.000 nan 4.120 nan 0.000 0.244 7 V C 0.000 176.084 176.094 -0.017 0.000 1.182 7 V CA 0.000 62.291 62.300 -0.015 0.000 1.235 7 V CB 0.000 31.815 31.823 -0.013 0.000 1.184 8 L N -2.438 118.774 121.223 -0.019 0.000 1.330 8 L HA 0.214 4.554 4.340 0.000 0.000 0.038 8 L C -2.283 174.574 176.870 -0.021 0.000 1.656 8 L CA 0.346 55.174 54.840 -0.021 0.000 1.034 8 L CB -2.297 39.746 42.059 -0.027 0.000 1.964 8 L HN 0.380 nan 8.230 nan 0.000 0.408 9 P HA -0.020 nan 4.420 nan 0.000 0.288 9 P C -0.284 177.007 177.300 -0.015 0.000 1.320 9 P CA -0.139 62.954 63.100 -0.013 0.000 0.862 9 P CB -0.028 31.667 31.700 -0.009 0.000 1.369 10 E N 0.007 120.200 120.200 -0.012 0.000 1.827 10 E HA -0.269 4.081 4.350 0.000 0.000 0.375 10 E C 0.484 177.076 176.600 -0.012 0.000 0.379 10 E CA 1.231 57.624 56.400 -0.011 0.000 1.372 10 E CB -0.574 29.122 29.700 -0.007 0.000 0.321 10 E HN 0.729 nan 8.360 nan 0.000 0.371 11 N N 0.490 119.183 118.700 -0.012 0.000 2.732 11 N HA -0.284 4.456 4.740 0.000 0.000 0.250 11 N C -0.521 174.979 175.510 -0.017 0.000 1.097 11 N CA 1.780 54.824 53.050 -0.010 0.000 0.812 11 N CB -1.255 37.230 38.487 -0.003 0.000 1.148 11 N HN 0.350 nan 8.380 nan 0.000 0.572 12 M N 0.826 120.409 119.600 -0.028 0.000 2.088 12 M HA 0.322 4.802 4.480 0.000 0.000 0.346 12 M C -0.222 176.031 176.300 -0.079 0.000 1.111 12 M CA -0.209 55.061 55.300 -0.050 0.000 1.017 12 M CB 1.113 33.686 32.600 -0.046 0.000 1.568 12 M HN 0.052 nan 8.290 nan 0.000 0.445 13 K N 3.277 123.606 120.400 -0.118 0.000 2.448 13 K HA 0.214 4.534 4.320 0.000 0.000 0.278 13 K C -0.227 176.165 176.600 -0.347 0.000 1.009 13 K CA 0.276 56.413 56.287 -0.250 0.000 0.995 13 K CB 0.545 32.887 32.500 -0.263 0.000 0.917 13 K HN 0.531 nan 8.250 nan 0.000 0.481 14 R N 2.386 122.624 120.500 -0.436 0.000 2.599 14 R HA 0.204 4.544 4.340 0.000 0.000 0.295 14 R C 0.039 176.061 176.300 -0.464 0.000 0.963 14 R CA -0.488 55.399 56.100 -0.355 0.000 0.883 14 R CB 0.761 30.960 30.300 -0.167 0.000 1.171 14 R HN 0.645 nan 8.270 nan 0.000 0.450 15 Y N 3.406 123.699 120.300 -0.013 0.000 2.174 15 Y HA 0.015 4.565 4.550 -0.000 0.000 0.273 15 Y C 0.902 176.787 175.900 -0.026 0.000 1.087 15 Y CA 0.509 58.597 58.100 -0.021 0.000 1.078 15 Y CB -0.196 38.251 38.460 -0.021 0.000 1.010 15 Y HN 0.533 nan 8.280 nan 0.000 0.478 16 M N 0.255 119.918 119.600 0.105 0.000 4.045 16 M HA -0.123 4.357 4.480 0.000 0.000 0.157 16 M C 0.137 176.453 176.300 0.026 0.000 1.532 16 M CA 0.816 56.141 55.300 0.042 0.000 1.097 16 M CB -1.746 30.867 32.600 0.021 0.000 1.346 16 M HN 0.942 nan 8.290 nan 0.000 0.192 17 G N 2.631 111.427 108.800 -0.006 0.000 2.598 17 G HA2 -0.313 3.648 3.960 0.000 0.000 0.244 17 G HA3 -0.313 3.648 3.960 0.000 0.000 0.244 17 G C 0.145 175.036 174.900 -0.016 0.000 1.302 17 G CA 0.949 46.037 45.100 -0.019 0.000 0.903 17 G HN 1.284 nan 8.290 nan 0.000 0.575 18 R N -0.340 120.148 120.500 -0.019 0.000 2.301 18 R HA -0.323 4.017 4.340 0.000 0.000 0.250 18 R C 2.358 178.629 176.300 -0.047 0.000 1.102 18 R CA 3.150 59.233 56.100 -0.028 0.000 0.933 18 R CB -0.850 29.437 30.300 -0.022 0.000 0.955 18 R HN 0.722 nan 8.270 nan 0.000 0.439 19 D N -0.755 119.631 120.400 -0.022 0.000 2.472 19 D HA -0.324 4.317 4.640 0.000 0.000 0.194 19 D C 1.653 177.866 176.300 -0.144 0.000 1.023 19 D CA 2.263 56.236 54.000 -0.045 0.000 0.869 19 D CB -0.769 40.142 40.800 0.185 0.000 0.997 19 D HN 0.518 nan 8.370 nan 0.000 0.463 20 A N 0.414 123.228 122.820 -0.010 0.000 1.835 20 A HA -0.261 4.059 4.320 0.000 0.000 0.215 20 A C 2.129 179.669 177.584 -0.074 0.000 1.199 20 A CA 2.252 54.281 52.037 -0.013 0.000 0.615 20 A CB -0.942 18.075 19.000 0.028 0.000 0.838 20 A HN 0.335 nan 8.150 nan 0.000 0.444 21 Q N -0.964 118.801 119.800 -0.058 0.000 2.028 21 Q HA -0.364 3.976 4.340 0.000 0.000 0.215 21 Q C 2.330 178.283 176.000 -0.079 0.000 1.041 21 Q CA 2.410 58.175 55.803 -0.063 0.000 0.897 21 Q CB -0.480 28.226 28.738 -0.052 0.000 1.017 21 Q HN 0.683 nan 8.270 nan 0.000 0.418 22 R N 0.135 120.579 120.500 -0.092 0.000 2.134 22 R HA -0.223 4.117 4.340 0.000 0.000 0.248 22 R C 2.271 178.506 176.300 -0.109 0.000 1.143 22 R CA 2.179 58.220 56.100 -0.099 0.000 0.957 22 R CB -0.159 30.066 30.300 -0.125 0.000 0.867 22 R HN 0.348 nan 8.270 nan 0.000 0.441 23 M N -0.288 119.216 119.600 -0.160 0.000 2.156 23 M HA -0.118 4.362 4.480 0.000 0.000 0.264 23 M C 1.804 178.020 176.300 -0.140 0.000 1.067 23 M CA 1.741 56.943 55.300 -0.163 0.000 1.131 23 M CB -0.578 31.877 32.600 -0.242 0.000 1.368 23 M HN 0.345 nan 8.290 nan 0.000 0.416 24 N N 0.665 119.282 118.700 -0.139 0.000 2.135 24 N HA -0.024 4.717 4.740 0.000 0.000 0.186 24 N C 1.813 177.284 175.510 -0.065 0.000 1.027 24 N CA 0.826 53.803 53.050 -0.121 0.000 0.849 24 N CB 0.048 38.475 38.487 -0.100 0.000 1.002 24 N HN 0.201 nan 8.380 nan 0.000 0.425 25 I N 1.188 121.725 120.570 -0.054 0.000 2.113 25 I HA -0.315 3.855 4.170 0.000 0.000 0.242 25 I C 2.319 178.420 176.117 -0.025 0.000 1.064 25 I CA 1.139 62.417 61.300 -0.037 0.000 1.320 25 I CB -0.358 37.619 38.000 -0.039 0.000 1.028 25 I HN 0.189 nan 8.210 nan 0.000 0.406 26 L N 0.934 122.141 121.223 -0.026 0.000 1.990 26 L HA -0.250 4.090 4.340 0.000 0.000 0.213 26 L C 2.666 179.543 176.870 0.012 0.000 1.072 26 L CA 2.075 56.910 54.840 -0.008 0.000 0.755 26 L CB -0.449 41.606 42.059 -0.007 0.000 0.889 26 L HN 0.247 nan 8.230 nan 0.000 0.432 27 A N -1.123 121.710 122.820 0.022 0.000 2.125 27 A HA -0.079 4.241 4.320 0.000 0.000 0.219 27 A C 2.165 179.761 177.584 0.020 0.000 1.156 27 A CA 1.552 53.615 52.037 0.042 0.000 0.671 27 A CB -1.020 18.011 19.000 0.053 0.000 0.794 27 A HN 0.562 nan 8.150 nan 0.000 0.459 28 G N -0.652 108.149 108.800 0.002 0.000 2.486 28 G HA2 0.004 3.964 3.960 0.000 0.000 0.210 28 G HA3 0.004 3.964 3.960 0.000 0.000 0.210 28 G C 1.693 176.592 174.900 -0.002 0.000 1.168 28 G CA 0.460 45.559 45.100 -0.002 0.000 0.820 28 G HN 0.529 nan 8.290 nan 0.000 0.544 29 R N 0.560 121.057 120.500 -0.005 0.000 2.070 29 R HA -0.008 4.332 4.340 0.000 0.000 0.232 29 R C 2.510 178.808 176.300 -0.004 0.000 1.138 29 R CA 1.567 57.663 56.100 -0.007 0.000 0.936 29 R CB -0.743 29.551 30.300 -0.010 0.000 0.839 29 R HN 0.431 nan 8.270 nan 0.000 0.429 30 I N 1.449 122.019 120.570 0.001 0.000 2.087 30 I HA -0.309 3.861 4.170 0.000 0.000 0.240 30 I C 2.200 178.318 176.117 0.001 0.000 1.054 30 I CA 1.721 63.023 61.300 0.003 0.000 1.311 30 I CB -0.683 37.322 38.000 0.009 0.000 1.024 30 I HN 0.134 nan 8.210 nan 0.000 0.402 31 I N 0.135 120.707 120.570 0.004 0.000 3.564 31 I HA 0.121 4.291 4.170 0.000 0.000 0.294 31 I C 2.377 178.493 176.117 -0.002 0.000 1.289 31 I CA 0.717 62.019 61.300 0.003 0.000 1.325 31 I CB -0.799 37.206 38.000 0.008 0.000 1.039 31 I HN 0.210 nan 8.210 nan 0.000 0.474 32 A N 1.699 124.516 122.820 -0.005 0.000 1.901 32 A HA -0.009 4.311 4.320 0.000 0.000 0.210 32 A C 2.232 179.808 177.584 -0.012 0.000 1.208 32 A CA 0.546 52.577 52.037 -0.011 0.000 0.644 32 A CB -0.190 18.803 19.000 -0.013 0.000 0.863 32 A HN 0.368 nan 8.150 nan 0.000 0.454 33 E N -0.334 119.860 120.200 -0.010 0.000 2.028 33 E HA -0.110 4.240 4.350 0.000 0.000 0.191 33 E C 1.898 178.493 176.600 -0.010 0.000 0.988 33 E CA 1.383 57.777 56.400 -0.011 0.000 0.799 33 E CB -0.575 29.120 29.700 -0.009 0.000 0.755 33 E HN 0.478 nan 8.360 nan 0.000 0.447 34 T N 0.999 115.549 114.554 -0.007 0.000 2.515 34 T HA -0.234 4.116 4.350 0.000 0.000 0.246 34 T C 1.676 176.370 174.700 -0.008 0.000 1.268 34 T CA 2.485 64.581 62.100 -0.006 0.000 1.136 34 T CB -0.297 68.569 68.868 -0.004 0.000 0.847 34 T HN 0.201 nan 8.240 nan 0.000 0.442 35 V N 0.232 120.140 119.914 -0.010 0.000 3.111 35 V HA 0.336 4.456 4.120 0.000 0.000 0.343 35 V C 1.654 177.739 176.094 -0.015 0.000 1.417 35 V CA 0.064 62.357 62.300 -0.012 0.000 1.142 35 V CB -0.162 31.655 31.823 -0.010 0.000 1.114 35 V HN 0.486 nan 8.190 nan 0.000 0.520 36 R N 1.866 122.356 120.500 -0.017 0.000 2.134 36 R HA -0.188 4.152 4.340 0.000 0.000 0.248 36 R C 1.634 177.921 176.300 -0.021 0.000 1.143 36 R CA 2.442 58.530 56.100 -0.021 0.000 0.957 36 R CB -1.182 29.105 30.300 -0.021 0.000 0.867 36 R HN 0.551 nan 8.270 nan 0.000 0.441 37 S N 0.175 115.864 115.700 -0.018 0.000 2.593 37 S HA -0.009 4.461 4.470 0.000 0.000 0.217 37 S C 1.613 176.201 174.600 -0.019 0.000 0.966 37 S CA 0.493 58.682 58.200 -0.019 0.000 0.914 37 S CB 0.376 63.567 63.200 -0.015 0.000 0.776 37 S HN 0.633 nan 8.310 nan 0.000 0.523 38 T N 1.424 115.967 114.554 -0.018 0.000 2.668 38 T HA 0.025 4.375 4.350 0.000 0.000 0.262 38 T C 0.954 175.641 174.700 -0.021 0.000 1.045 38 T CA 0.331 62.420 62.100 -0.018 0.000 1.152 38 T CB -0.709 68.150 68.868 -0.015 0.000 0.864 38 T HN 0.345 nan 8.240 nan 0.000 0.419 39 L N 2.848 124.058 121.223 -0.023 0.000 2.410 39 L HA 0.538 4.878 4.340 0.000 0.000 0.273 39 L C 0.563 177.414 176.870 -0.031 0.000 1.152 39 L CA 1.477 56.302 54.840 -0.025 0.000 0.855 39 L CB -0.504 41.541 42.059 -0.022 0.000 1.129 39 L HN 0.926 nan 8.230 nan 0.000 0.463 40 G N 5.711 114.492 108.800 -0.031 0.000 2.422 40 G HA2 -0.098 3.863 3.960 0.000 0.000 0.607 40 G HA3 -0.098 3.863 3.960 0.000 0.000 0.607 40 G C -2.475 172.397 174.900 -0.046 0.000 1.270 40 G CA -0.112 44.964 45.100 -0.041 0.000 0.992 40 G HN 0.580 nan 8.290 nan 0.000 0.499 41 P HA 0.185 nan 4.420 nan 0.000 0.255 41 P C 0.721 177.963 177.300 -0.096 0.000 1.301 41 P CA 0.459 63.502 63.100 -0.096 0.000 0.817 41 P CB 0.245 31.822 31.700 -0.204 0.000 1.259 42 K N -0.411 119.944 120.400 -0.074 0.000 2.353 42 K HA 0.287 4.607 4.320 0.000 0.000 0.195 42 K C 1.207 177.786 176.600 -0.035 0.000 1.031 42 K CA 0.228 56.481 56.287 -0.057 0.000 1.079 42 K CB 1.038 33.501 32.500 -0.062 0.000 0.857 42 K HN 0.153 nan 8.250 nan 0.000 0.535 43 G N 0.840 109.623 108.800 -0.028 0.000 2.658 43 G HA2 0.719 4.679 3.960 0.000 0.000 0.292 43 G HA3 0.719 4.679 3.960 0.000 0.000 0.292 43 G C -1.511 173.381 174.900 -0.013 0.000 1.320 43 G CA -0.439 44.648 45.100 -0.021 0.000 0.933 43 G HN 0.011 nan 8.290 nan 0.000 0.476 44 M N 0.491 120.085 119.600 -0.011 0.000 2.529 44 M HA 0.295 4.775 4.480 0.000 0.000 0.291 44 M C -1.851 174.444 176.300 -0.008 0.000 1.093 44 M CA -0.543 54.752 55.300 -0.007 0.000 0.890 44 M CB 1.806 34.402 32.600 -0.008 0.000 1.794 44 M HN 0.520 nan 8.290 nan 0.000 0.524 45 D N 2.724 123.122 120.400 -0.005 0.000 2.440 45 D HA 0.638 5.278 4.640 0.000 0.000 0.269 45 D C -0.748 175.549 176.300 -0.004 0.000 1.249 45 D CA -0.109 53.888 54.000 -0.005 0.000 1.055 45 D CB 0.545 41.344 40.800 -0.002 0.000 1.104 45 D HN 0.470 nan 8.370 nan 0.000 0.561 46 K N -0.474 119.925 120.400 -0.003 0.000 2.546 46 K HA 0.390 4.710 4.320 0.000 0.000 0.264 46 K C -1.073 175.527 176.600 0.000 0.000 0.937 46 K CA -0.581 55.705 56.287 -0.002 0.000 0.833 46 K CB 2.568 35.066 32.500 -0.003 0.000 1.378 46 K HN 0.260 nan 8.250 nan 0.000 0.432 47 M N 5.092 124.692 119.600 0.001 0.000 1.998 47 M HA 0.305 4.785 4.480 0.000 0.000 0.289 47 M C -1.443 174.859 176.300 0.003 0.000 0.886 47 M CA -0.760 54.541 55.300 0.003 0.000 0.853 47 M CB 0.256 32.859 32.600 0.004 0.000 1.462 47 M HN 0.536 nan 8.290 nan 0.000 0.375 48 L N 3.642 124.867 121.223 0.003 0.000 2.467 48 L HA 0.584 4.924 4.340 0.000 0.000 0.270 48 L C -0.514 176.358 176.870 0.003 0.000 1.205 48 L CA -0.714 54.127 54.840 0.003 0.000 0.828 48 L CB 0.287 42.347 42.059 0.002 0.000 1.101 48 L HN 0.355 nan 8.230 nan 0.000 0.479 49 V N 0.098 120.013 119.914 0.002 0.000 2.697 49 V HA 0.214 4.334 4.120 0.000 0.000 0.300 49 V C -0.647 175.447 176.094 0.001 0.000 1.115 49 V CA -0.935 61.367 62.300 0.002 0.000 0.912 49 V CB 1.658 33.482 31.823 0.001 0.000 1.024 49 V HN 0.938 nan 8.190 nan 0.000 0.431 50 D N 2.031 122.432 120.400 0.001 0.000 2.469 50 D HA 0.182 4.822 4.640 0.000 0.000 0.278 50 D C 0.801 177.101 176.300 -0.000 0.000 1.231 50 D CA -0.222 53.778 54.000 0.000 0.000 1.075 50 D CB 0.586 41.387 40.800 0.001 0.000 1.121 50 D HN 0.432 nan 8.370 nan 0.000 0.571 51 D N -0.738 119.661 120.400 -0.001 0.000 2.178 51 D HA -0.097 4.544 4.640 0.000 0.000 0.201 51 D C 2.056 178.356 176.300 -0.001 0.000 0.980 51 D CA 0.915 54.914 54.000 -0.001 0.000 0.842 51 D CB -0.018 40.781 40.800 -0.001 0.000 0.948 51 D HN 0.352 nan 8.370 nan 0.000 0.472 52 L N 0.304 121.527 121.223 0.000 0.000 2.376 52 L HA 0.073 4.413 4.340 0.000 0.000 0.219 52 L C 1.681 178.551 176.870 0.001 0.000 1.133 52 L CA 0.481 55.321 54.840 0.001 0.000 0.816 52 L CB -0.716 41.344 42.059 0.001 0.000 0.933 52 L HN 0.031 nan 8.230 nan 0.000 0.449 53 G N 0.867 109.667 108.800 0.001 0.000 2.321 53 G HA2 -0.329 3.631 3.960 0.000 0.000 0.287 53 G HA3 -0.329 3.631 3.960 0.000 0.000 0.287 53 G C 0.037 174.938 174.900 0.002 0.000 1.018 53 G CA 0.602 45.702 45.100 0.001 0.000 0.855 53 G HN 0.398 nan 8.290 nan 0.000 0.507 54 D N -0.798 119.604 120.400 0.003 0.000 2.368 54 D HA 0.459 5.099 4.640 0.000 0.000 0.240 54 D C 0.610 176.912 176.300 0.005 0.000 1.169 54 D CA 0.706 54.708 54.000 0.004 0.000 0.906 54 D CB 1.138 41.941 40.800 0.004 0.000 1.187 54 D HN 0.704 nan 8.370 nan 0.000 0.435 55 V N 0.524 120.441 119.914 0.006 0.000 2.532 55 V HA 0.465 4.586 4.120 0.000 0.000 0.294 55 V C -0.661 175.439 176.094 0.010 0.000 1.036 55 V CA -0.976 61.328 62.300 0.007 0.000 0.876 55 V CB 1.426 33.253 31.823 0.007 0.000 1.012 55 V HN 0.284 nan 8.190 nan 0.000 0.432 56 V N 4.185 124.105 119.914 0.010 0.000 2.409 56 V HA 0.548 4.668 4.120 0.000 0.000 0.290 56 V C -0.101 176.000 176.094 0.011 0.000 1.017 56 V CA -0.625 61.682 62.300 0.012 0.000 0.841 56 V CB 1.603 33.432 31.823 0.011 0.000 1.003 56 V HN 0.662 nan 8.190 nan 0.000 0.426 57 V N 4.521 124.443 119.914 0.015 0.000 2.370 57 V HA 0.833 4.953 4.120 0.000 0.000 0.279 57 V C 0.267 176.365 176.094 0.006 0.000 1.029 57 V CA -0.056 62.251 62.300 0.011 0.000 0.870 57 V CB 1.268 33.101 31.823 0.017 0.000 0.984 57 V HN 1.102 nan 8.190 nan 0.000 0.451 58 T N 0.045 114.599 114.554 -0.000 0.000 3.047 58 T HA 0.294 4.644 4.350 0.000 0.000 0.340 58 T C 0.121 174.815 174.700 -0.009 0.000 1.421 58 T CA -0.682 61.413 62.100 -0.007 0.000 1.090 58 T CB 1.876 70.740 68.868 -0.006 0.000 1.292 58 T HN 0.426 nan 8.240 nan 0.000 0.480 59 N N 0.985 119.677 118.700 -0.014 0.000 2.324 59 N HA -0.027 4.714 4.740 0.000 0.000 0.192 59 N C -0.312 175.189 175.510 -0.015 0.000 1.046 59 N CA 0.444 53.485 53.050 -0.015 0.000 0.898 59 N CB -0.230 38.247 38.487 -0.017 0.000 1.079 59 N HN 0.762 nan 8.380 nan 0.000 0.456 60 D N 1.006 121.395 120.400 -0.017 0.000 7.612 60 D HA -0.101 4.539 4.640 0.000 0.000 0.171 60 D C 1.279 177.572 176.300 -0.011 0.000 1.375 60 D CA 0.762 54.754 54.000 -0.015 0.000 0.857 60 D CB -0.640 40.150 40.800 -0.017 0.000 1.630 60 D HN 0.488 nan 8.370 nan 0.000 0.943 61 G N 2.311 111.105 108.800 -0.010 0.000 2.816 61 G HA2 -0.406 3.554 3.960 0.000 0.000 0.229 61 G HA3 -0.406 3.554 3.960 0.000 0.000 0.229 61 G C 1.651 176.548 174.900 -0.005 0.000 1.158 61 G CA 1.117 46.213 45.100 -0.008 0.000 0.761 61 G HN 0.512 nan 8.290 nan 0.000 0.636 62 V N 0.606 120.518 119.914 -0.004 0.000 2.277 62 V HA -0.324 3.796 4.120 0.000 0.000 0.239 62 V C 2.826 178.919 176.094 -0.001 0.000 1.006 62 V CA 3.970 66.269 62.300 -0.002 0.000 1.018 62 V CB -1.196 30.626 31.823 -0.002 0.000 0.665 62 V HN 0.644 nan 8.190 nan 0.000 0.488 63 T N 0.793 115.346 114.554 -0.002 0.000 2.327 63 T HA -0.417 3.933 4.350 0.000 0.000 0.205 63 T C 1.410 176.109 174.700 -0.000 0.000 1.544 63 T CA 3.399 65.499 62.100 -0.001 0.000 1.023 63 T CB -0.973 67.894 68.868 -0.001 0.000 0.802 63 T HN 0.559 nan 8.240 nan 0.000 0.450 64 I N 0.527 121.096 120.570 -0.002 0.000 2.242 64 I HA -0.315 3.855 4.170 0.000 0.000 0.242 64 I C 2.283 178.400 176.117 0.000 0.000 0.998 64 I CA 1.983 63.282 61.300 -0.001 0.000 1.283 64 I CB -0.508 37.490 38.000 -0.003 0.000 0.985 64 I HN 0.260 nan 8.210 nan 0.000 0.415 65 L N -1.290 119.934 121.223 0.001 0.000 2.463 65 L HA 0.074 4.414 4.340 0.000 0.000 0.219 65 L C 2.489 179.361 176.870 0.005 0.000 1.088 65 L CA 0.231 55.073 54.840 0.003 0.000 0.849 65 L CB -0.433 41.629 42.059 0.004 0.000 1.012 65 L HN 0.044 nan 8.230 nan 0.000 0.468 66 R N 0.548 121.050 120.500 0.004 0.000 2.154 66 R HA -0.213 4.128 4.340 0.000 0.000 0.236 66 R C 2.064 178.366 176.300 0.004 0.000 1.121 66 R CA 2.000 58.102 56.100 0.004 0.000 0.915 66 R CB -0.374 29.928 30.300 0.003 0.000 0.856 66 R HN 0.350 nan 8.270 nan 0.000 0.431 67 E N 0.117 120.319 120.200 0.003 0.000 2.024 67 E HA -0.012 4.338 4.350 0.000 0.000 0.190 67 E C 1.092 177.693 176.600 0.002 0.000 0.974 67 E CA 0.230 56.632 56.400 0.003 0.000 0.810 67 E CB -0.189 29.513 29.700 0.003 0.000 0.775 67 E HN 0.141 nan 8.360 nan 0.000 0.453 68 M N 2.662 122.263 119.600 0.002 0.000 3.385 68 M HA -0.079 4.401 4.480 0.000 0.000 0.239 68 M C 0.559 176.860 176.300 0.001 0.000 1.761 68 M CA 0.194 55.495 55.300 0.001 0.000 1.726 68 M CB -2.012 30.588 32.600 0.000 0.000 1.495 68 M HN -0.065 nan 8.290 nan 0.000 0.502 69 S N 1.849 117.549 115.700 0.000 0.000 3.152 69 S HA -0.030 4.441 4.470 0.000 0.000 0.207 69 S C 0.466 175.064 174.600 -0.003 0.000 0.636 69 S CA -0.044 58.155 58.200 -0.001 0.000 1.787 69 S CB -1.115 62.083 63.200 -0.002 0.000 1.230 69 S HN 0.546 nan 8.310 nan 0.000 0.553 70 V N 2.871 122.785 119.914 0.000 0.000 2.720 70 V HA 0.056 4.176 4.120 0.000 0.000 0.307 70 V C 1.413 177.504 176.094 -0.006 0.000 1.071 70 V CA 0.787 63.087 62.300 0.000 0.000 1.199 70 V CB 0.415 32.246 31.823 0.013 0.000 0.900 70 V HN 0.859 nan 8.190 nan 0.000 0.494 71 E N 4.438 124.621 120.200 -0.029 0.000 2.005 71 E HA -0.155 4.196 4.350 0.000 0.000 0.191 71 E C 0.526 177.086 176.600 -0.067 0.000 0.987 71 E CA 0.640 56.996 56.400 -0.074 0.000 0.814 71 E CB -0.494 29.120 29.700 -0.144 0.000 0.772 71 E HN 0.891 nan 8.360 nan 0.000 0.453 72 H N 3.164 122.240 119.070 0.009 0.000 3.211 72 H HA -0.058 4.498 4.556 0.000 0.000 0.246 72 H C -1.773 173.562 175.328 0.011 0.000 0.802 72 H CA -0.544 55.511 56.048 0.010 0.000 1.421 72 H CB 0.261 30.028 29.762 0.008 0.000 1.432 72 H HN 0.273 nan 8.280 nan 0.000 0.503 73 P HA -0.201 nan 4.420 nan 0.000 0.218 73 P C 1.323 178.664 177.300 0.069 0.000 1.149 73 P CA 1.531 64.704 63.100 0.123 0.000 0.817 73 P CB 0.285 32.058 31.700 0.122 0.000 0.785 74 A N 0.704 123.547 122.820 0.039 0.000 1.859 74 A HA -0.239 4.082 4.320 0.000 0.000 0.217 74 A C 2.291 179.889 177.584 0.024 0.000 1.198 74 A CA 2.447 54.479 52.037 -0.009 0.000 0.629 74 A CB -1.793 17.159 19.000 -0.080 0.000 0.830 74 A HN 0.205 nan 8.150 nan 0.000 0.446 75 A N -0.609 122.245 122.820 0.057 0.000 2.225 75 A HA -0.083 4.237 4.320 0.000 0.000 0.215 75 A C 1.817 179.429 177.584 0.046 0.000 1.164 75 A CA 1.532 53.605 52.037 0.059 0.000 0.710 75 A CB -0.325 18.729 19.000 0.091 0.000 0.780 75 A HN 0.576 nan 8.150 nan 0.000 0.473 76 K N -0.545 119.884 120.400 0.048 0.000 2.361 76 K HA 0.118 4.438 4.320 0.000 0.000 0.194 76 K C 0.660 177.275 176.600 0.025 0.000 1.032 76 K CA 0.567 56.874 56.287 0.034 0.000 1.048 76 K CB -0.164 32.356 32.500 0.034 0.000 0.842 76 K HN 0.702 nan 8.250 nan 0.000 0.526 77 M N 0.278 119.892 119.600 0.024 0.000 2.853 77 M HA 0.321 4.801 4.480 0.000 0.000 0.274 77 M C 1.054 177.363 176.300 0.016 0.000 1.289 77 M CA 0.304 55.615 55.300 0.018 0.000 1.031 77 M CB 0.395 33.004 32.600 0.016 0.000 1.352 77 M HN -0.037 nan 8.290 nan 0.000 0.485 78 L N -0.856 120.377 121.223 0.017 0.000 3.227 78 L HA 0.342 4.682 4.340 0.000 0.000 0.287 78 L C 1.545 178.423 176.870 0.012 0.000 1.161 78 L CA 0.088 54.937 54.840 0.014 0.000 1.048 78 L CB 0.455 42.523 42.059 0.014 0.000 1.541 78 L HN 0.407 nan 8.230 nan 0.000 0.590 79 I N 0.778 121.356 120.570 0.013 0.000 2.406 79 I HA -0.193 3.977 4.170 0.000 0.000 0.249 79 I C 2.014 178.136 176.117 0.009 0.000 1.122 79 I CA 1.789 63.095 61.300 0.010 0.000 1.431 79 I CB -0.040 37.966 38.000 0.011 0.000 1.087 79 I HN 0.359 nan 8.210 nan 0.000 0.424 80 E N -0.092 120.115 120.200 0.011 0.000 2.284 80 E HA -0.212 4.139 4.350 0.000 0.000 0.200 80 E C 1.727 178.333 176.600 0.011 0.000 1.008 80 E CA 1.654 58.061 56.400 0.011 0.000 0.829 80 E CB -0.617 29.090 29.700 0.012 0.000 0.744 80 E HN 0.470 nan 8.360 nan 0.000 0.491 81 V N -0.060 119.861 119.914 0.011 0.000 3.431 81 V HA 0.216 4.336 4.120 0.000 0.000 0.253 81 V C 1.862 177.961 176.094 0.009 0.000 1.184 81 V CA 0.886 63.193 62.300 0.012 0.000 1.104 81 V CB 0.538 32.371 31.823 0.016 0.000 0.799 81 V HN 0.389 nan 8.190 nan 0.000 0.462 82 A N -0.474 122.350 122.820 0.007 0.000 2.348 82 A HA 0.199 4.520 4.320 0.000 0.000 0.224 82 A C 2.024 179.610 177.584 0.003 0.000 1.227 82 A CA 0.294 52.333 52.037 0.004 0.000 0.885 82 A CB 0.031 19.032 19.000 0.002 0.000 0.933 82 A HN 0.342 nan 8.150 nan 0.000 0.506 83 K N 0.619 121.022 120.400 0.005 0.000 1.979 83 K HA -0.138 4.182 4.320 0.000 0.000 0.213 83 K C 2.155 178.758 176.600 0.004 0.000 1.036 83 K CA 2.278 58.568 56.287 0.005 0.000 0.954 83 K CB -0.691 31.812 32.500 0.005 0.000 0.743 83 K HN 0.464 nan 8.250 nan 0.000 0.443 84 T N -0.487 114.071 114.554 0.006 0.000 2.418 84 T HA -0.412 3.938 4.350 0.000 0.000 0.207 84 T C 1.827 176.530 174.700 0.005 0.000 1.485 84 T CA 2.649 64.752 62.100 0.006 0.000 1.014 84 T CB -1.091 67.781 68.868 0.007 0.000 0.785 84 T HN 0.532 nan 8.240 nan 0.000 0.470 85 Q N 0.807 120.610 119.800 0.004 0.000 2.311 85 Q HA 0.088 4.428 4.340 0.000 0.000 0.203 85 Q C 2.381 178.382 176.000 0.001 0.000 0.954 85 Q CA 1.218 57.023 55.803 0.003 0.000 0.885 85 Q CB -0.113 28.627 28.738 0.004 0.000 0.963 85 Q HN 0.753 nan 8.270 nan 0.000 0.471 86 E N 0.375 120.575 120.200 0.000 0.000 2.107 86 E HA -0.185 4.165 4.350 0.000 0.000 0.191 86 E C 1.339 177.939 176.600 -0.001 0.000 0.982 86 E CA 0.914 57.313 56.400 -0.001 0.000 0.809 86 E CB 0.221 29.920 29.700 -0.002 0.000 0.756 86 E HN 0.253 nan 8.360 nan 0.000 0.459 87 K N 0.996 121.397 120.400 0.001 0.000 2.063 87 K HA -0.162 4.159 4.320 0.000 0.000 0.208 87 K C 2.018 178.618 176.600 0.000 0.000 1.048 87 K CA 1.219 57.507 56.287 0.001 0.000 0.928 87 K CB -0.140 32.361 32.500 0.001 0.000 0.713 87 K HN 0.099 nan 8.250 nan 0.000 0.442 88 E N 0.303 120.504 120.200 0.001 0.000 2.407 88 E HA -0.220 4.130 4.350 0.000 0.000 0.321 88 E C 1.681 178.280 176.600 -0.000 0.000 0.845 88 E CA 1.635 58.036 56.400 0.001 0.000 1.789 88 E CB -0.407 29.294 29.700 0.002 0.000 0.811 88 E HN 0.051 nan 8.360 nan 0.000 0.585 89 V N -0.912 119.002 119.914 -0.000 0.000 3.235 89 V HA 0.088 4.208 4.120 0.000 0.000 0.259 89 V C 1.350 177.442 176.094 -0.002 0.000 1.133 89 V CA 1.953 64.253 62.300 -0.001 0.000 1.128 89 V CB 0.327 32.150 31.823 -0.001 0.000 0.757 89 V HN 0.782 nan 8.190 nan 0.000 0.469 90 G N 0.045 108.844 108.800 -0.002 0.000 3.047 90 G HA2 -0.205 3.755 3.960 0.000 0.000 0.203 90 G HA3 -0.205 3.755 3.960 0.000 0.000 0.203 90 G C 0.016 174.913 174.900 -0.005 0.000 1.444 90 G CA 0.157 45.255 45.100 -0.004 0.000 1.020 90 G HN 0.487 nan 8.290 nan 0.000 0.563 91 D N 1.425 121.822 120.400 -0.005 0.000 2.256 91 D HA 0.537 5.177 4.640 0.000 0.000 0.250 91 D C 1.102 177.399 176.300 -0.006 0.000 1.093 91 D CA 1.430 55.426 54.000 -0.007 0.000 0.882 91 D CB 0.851 41.647 40.800 -0.007 0.000 1.185 91 D HN 1.524 nan 8.370 nan 0.000 0.437 92 G N 1.750 110.545 108.800 -0.008 0.000 2.192 92 G HA2 -0.281 3.679 3.960 0.000 0.000 0.193 92 G HA3 -0.281 3.679 3.960 0.000 0.000 0.193 92 G C 1.148 176.044 174.900 -0.007 0.000 0.999 92 G CA 0.624 45.720 45.100 -0.008 0.000 0.659 92 G HN 0.577 nan 8.290 nan 0.000 0.503 93 T N -2.183 112.367 114.554 -0.007 0.000 2.674 93 T HA -0.060 4.290 4.350 0.000 0.000 0.265 93 T C 2.115 176.811 174.700 -0.007 0.000 1.039 93 T CA 2.523 64.620 62.100 -0.005 0.000 1.150 93 T CB -0.597 68.267 68.868 -0.006 0.000 0.864 93 T HN 0.171 nan 8.240 nan 0.000 0.427 94 T N 1.348 115.896 114.554 -0.010 0.000 2.951 94 T HA 0.008 4.358 4.350 0.000 0.000 0.268 94 T C 2.011 176.700 174.700 -0.017 0.000 1.073 94 T CA 1.429 63.521 62.100 -0.014 0.000 1.134 94 T CB -0.641 68.218 68.868 -0.015 0.000 0.884 94 T HN 0.535 nan 8.240 nan 0.000 0.479 95 T N 1.469 116.013 114.554 -0.017 0.000 2.613 95 T HA 0.153 4.503 4.350 0.000 0.000 0.248 95 T C 2.136 176.822 174.700 -0.024 0.000 1.107 95 T CA 1.032 63.119 62.100 -0.022 0.000 1.238 95 T CB -0.886 67.969 68.868 -0.021 0.000 0.899 95 T HN 0.358 nan 8.240 nan 0.000 0.400 96 A N 1.260 124.071 122.820 -0.014 0.000 1.818 96 A HA -0.313 4.007 4.320 0.000 0.000 0.310 96 A C 2.555 180.133 177.584 -0.009 0.000 3.572 96 A CA 4.106 56.141 52.037 -0.004 0.000 0.984 96 A CB -1.877 17.124 19.000 0.002 0.000 0.719 96 A HN 0.949 nan 8.150 nan 0.000 0.500 97 V N -2.192 117.717 119.914 -0.008 0.000 2.307 97 V HA -0.133 3.987 4.120 0.000 0.000 0.245 97 V C 2.205 178.289 176.094 -0.017 0.000 1.045 97 V CA 2.451 64.746 62.300 -0.008 0.000 1.024 97 V CB -1.279 30.542 31.823 -0.003 0.000 0.651 97 V HN 0.513 nan 8.190 nan 0.000 0.449 98 V N 1.716 121.616 119.914 -0.024 0.000 2.231 98 V HA -0.230 3.890 4.120 0.000 0.000 0.248 98 V C 2.708 178.775 176.094 -0.045 0.000 1.054 98 V CA 2.515 64.796 62.300 -0.031 0.000 1.015 98 V CB -1.078 30.725 31.823 -0.033 0.000 0.638 98 V HN 0.694 nan 8.190 nan 0.000 0.444 99 V N -1.226 118.652 119.914 -0.061 0.000 3.383 99 V HA 0.112 4.232 4.120 0.000 0.000 0.272 99 V C 1.892 177.922 176.094 -0.106 0.000 1.181 99 V CA 1.551 63.792 62.300 -0.098 0.000 1.171 99 V CB -1.301 30.442 31.823 -0.133 0.000 0.800 99 V HN 0.406 nan 8.190 nan 0.000 0.515 100 A N 0.475 123.263 122.820 -0.053 0.000 2.140 100 A HA 0.512 4.832 4.320 0.000 0.000 0.209 100 A C 2.143 179.720 177.584 -0.012 0.000 1.181 100 A CA 0.809 52.833 52.037 -0.021 0.000 0.824 100 A CB -0.356 18.643 19.000 -0.001 0.000 0.879 100 A HN 0.594 nan 8.150 nan 0.000 0.480 101 G N 0.033 108.822 108.800 -0.019 0.000 2.492 101 G HA2 -0.062 3.898 3.960 0.000 0.000 0.214 101 G HA3 -0.062 3.898 3.960 0.000 0.000 0.214 101 G C 1.369 176.258 174.900 -0.018 0.000 1.147 101 G CA 0.953 46.045 45.100 -0.014 0.000 0.809 101 G HN 0.629 nan 8.290 nan 0.000 0.533 102 E N -0.119 120.063 120.200 -0.031 0.000 2.112 102 E HA -0.014 4.336 4.350 0.000 0.000 0.190 102 E C 1.959 178.541 176.600 -0.030 0.000 0.979 102 E CA 0.261 56.641 56.400 -0.033 0.000 0.814 102 E CB -0.225 29.450 29.700 -0.042 0.000 0.762 102 E HN 0.217 nan 8.360 nan 0.000 0.460 103 L N 1.150 122.344 121.223 -0.049 0.000 2.675 103 L HA 0.067 4.407 4.340 0.000 0.000 0.238 103 L C 1.466 178.376 176.870 0.066 0.000 1.155 103 L CA 0.817 55.649 54.840 -0.014 0.000 0.881 103 L CB -0.055 41.953 42.059 -0.086 0.000 1.008 103 L HN 0.276 nan 8.230 nan 0.000 0.443 104 L N -1.585 119.652 121.223 0.023 0.000 2.286 104 L HA 0.061 4.401 4.340 0.000 0.000 0.203 104 L C 2.570 179.443 176.870 0.004 0.000 1.068 104 L CA 0.273 55.122 54.840 0.015 0.000 0.811 104 L CB -0.472 41.589 42.059 0.003 0.000 0.989 104 L HN 0.210 nan 8.230 nan 0.000 0.467 105 R N 0.820 121.321 120.500 0.001 0.000 2.096 105 R HA -0.162 4.179 4.340 0.000 0.000 0.235 105 R C 1.862 178.166 176.300 0.007 0.000 1.127 105 R CA 1.409 57.508 56.100 -0.002 0.000 0.968 105 R CB -0.042 30.255 30.300 -0.006 0.000 0.861 105 R HN 0.177 nan 8.270 nan 0.000 0.440 106 K N 0.277 120.690 120.400 0.022 0.000 2.186 106 K HA 0.078 4.398 4.320 0.000 0.000 0.202 106 K C 1.916 178.547 176.600 0.051 0.000 1.052 106 K CA 0.983 57.294 56.287 0.040 0.000 0.965 106 K CB -0.039 32.496 32.500 0.058 0.000 0.746 106 K HN 0.271 nan 8.250 nan 0.000 0.457 107 A N 1.190 124.038 122.820 0.045 0.000 2.121 107 A HA -0.152 4.168 4.320 0.000 0.000 0.218 107 A C 2.011 179.580 177.584 -0.024 0.000 1.154 107 A CA 1.244 53.274 52.037 -0.012 0.000 0.679 107 A CB -0.256 18.701 19.000 -0.072 0.000 0.795 107 A HN 0.366 nan 8.150 nan 0.000 0.458 108 E N 0.064 120.257 120.200 -0.011 0.000 2.072 108 E HA -0.184 4.166 4.350 0.000 0.000 0.190 108 E C 1.746 178.340 176.600 -0.010 0.000 0.982 108 E CA 0.980 57.370 56.400 -0.016 0.000 0.803 108 E CB -0.122 29.569 29.700 -0.015 0.000 0.755 108 E HN 0.718 nan 8.360 nan 0.000 0.453 109 E N 0.284 120.484 120.200 -0.000 0.000 2.113 109 E HA -0.275 4.076 4.350 0.000 0.000 0.210 109 E C 2.207 178.809 176.600 0.003 0.000 1.040 109 E CA 1.745 58.148 56.400 0.005 0.000 0.847 109 E CB -0.232 29.477 29.700 0.016 0.000 0.755 109 E HN 0.341 nan 8.360 nan 0.000 0.459 110 L N -0.042 121.182 121.223 0.002 0.000 2.071 110 L HA -0.097 4.243 4.340 0.000 0.000 0.201 110 L C 2.454 179.319 176.870 -0.008 0.000 1.076 110 L CA 0.523 55.362 54.840 -0.002 0.000 0.755 110 L CB -0.757 41.298 42.059 -0.005 0.000 0.915 110 L HN 0.120 nan 8.230 nan 0.000 0.445 111 L N 0.057 121.268 121.223 -0.020 0.000 2.486 111 L HA -0.388 3.952 4.340 0.000 0.000 0.222 111 L C 1.640 178.501 176.870 -0.015 0.000 1.121 111 L CA 2.312 57.139 54.840 -0.020 0.000 0.856 111 L CB -1.726 40.313 42.059 -0.032 0.000 0.924 111 L HN 0.397 nan 8.230 nan 0.000 0.453 112 D N -0.917 119.476 120.400 -0.011 0.000 2.197 112 D HA -0.121 4.519 4.640 0.000 0.000 0.212 112 D C 1.876 178.174 176.300 -0.002 0.000 0.963 112 D CA 0.652 54.647 54.000 -0.008 0.000 0.864 112 D CB -0.460 40.333 40.800 -0.011 0.000 1.009 112 D HN 0.433 nan 8.370 nan 0.000 0.479 113 Q N 1.841 121.641 119.800 0.001 0.000 2.633 113 Q HA -0.166 4.174 4.340 0.000 0.000 0.214 113 Q C -0.148 175.856 176.000 0.008 0.000 0.951 113 Q CA 0.491 56.297 55.803 0.005 0.000 1.017 113 Q CB -1.919 26.822 28.738 0.005 0.000 1.014 113 Q HN 0.436 nan 8.270 nan 0.000 0.591 114 N N -2.254 116.451 118.700 0.008 0.000 2.586 114 N HA -0.228 4.512 4.740 0.000 0.000 0.244 114 N C -0.908 174.620 175.510 0.030 0.000 1.215 114 N CA 0.554 53.613 53.050 0.015 0.000 0.796 114 N CB -0.638 37.857 38.487 0.014 0.000 1.185 114 N HN 0.260 nan 8.380 nan 0.000 0.577 115 V N 1.839 121.769 119.914 0.027 0.000 2.486 115 V HA -0.159 3.961 4.120 0.000 0.000 0.290 115 V C 0.762 176.909 176.094 0.088 0.000 0.991 115 V CA 0.457 62.781 62.300 0.041 0.000 1.142 115 V CB -0.228 31.607 31.823 0.021 0.000 0.926 115 V HN 0.336 nan 8.190 nan 0.000 0.472 116 H N 10.929 129.987 119.070 -0.020 0.000 3.156 116 H HA -0.085 4.471 4.556 0.001 0.000 0.213 116 H C -1.290 174.020 175.328 -0.030 0.000 0.718 116 H CA -1.016 55.020 56.048 -0.021 0.000 1.408 116 H CB 0.327 30.079 29.762 -0.016 0.000 1.459 116 H HN 0.461 nan 8.280 nan 0.000 0.464 117 P HA -0.251 nan 4.420 nan 0.000 0.221 117 P C 1.404 178.773 177.300 0.114 0.000 1.141 117 P CA 1.858 65.036 63.100 0.131 0.000 0.794 117 P CB -0.191 31.541 31.700 0.053 0.000 0.764 118 T N -2.074 112.579 114.554 0.166 0.000 2.701 118 T HA -0.254 4.096 4.350 0.000 0.000 0.265 118 T C 1.776 176.460 174.700 -0.028 0.000 1.032 118 T CA 1.431 63.519 62.100 -0.019 0.000 1.158 118 T CB -1.015 67.695 68.868 -0.264 0.000 0.854 118 T HN 0.000 nan 8.240 nan 0.000 0.463 119 I N 0.233 120.790 120.570 -0.022 0.000 2.429 119 I HA 0.109 4.279 4.170 0.000 0.000 0.247 119 I C 2.753 178.853 176.117 -0.029 0.000 1.099 119 I CA 0.603 61.890 61.300 -0.022 0.000 1.422 119 I CB -0.761 37.230 38.000 -0.015 0.000 1.112 119 I HN 0.264 nan 8.210 nan 0.000 0.430 120 V N 1.465 121.333 119.914 -0.077 0.000 2.358 120 V HA -0.186 3.935 4.120 0.000 0.000 0.246 120 V C 2.637 178.548 176.094 -0.305 0.000 1.047 120 V CA 2.060 64.226 62.300 -0.224 0.000 1.035 120 V CB -0.187 31.474 31.823 -0.270 0.000 0.658 120 V HN 0.286 nan 8.190 nan 0.000 0.452 121 V N -1.093 118.736 119.914 -0.141 0.000 2.255 121 V HA -0.263 3.857 4.120 0.000 0.000 0.247 121 V C 2.450 178.568 176.094 0.040 0.000 1.051 121 V CA 2.497 64.776 62.300 -0.035 0.000 1.018 121 V CB -1.372 30.447 31.823 -0.006 0.000 0.641 121 V HN 0.468 nan 8.190 nan 0.000 0.445 122 K N 1.375 121.790 120.400 0.026 0.000 2.519 122 K HA 0.044 4.364 4.320 0.000 0.000 0.196 122 K C 1.869 178.518 176.600 0.083 0.000 1.041 122 K CA 1.069 57.381 56.287 0.041 0.000 0.954 122 K CB -0.547 31.964 32.500 0.018 0.000 0.774 122 K HN 0.684 nan 8.250 nan 0.000 0.480 123 G N -1.543 107.354 108.800 0.163 0.000 2.608 123 G HA2 -0.110 3.850 3.960 0.000 0.000 0.210 123 G HA3 -0.110 3.850 3.960 0.000 0.000 0.210 123 G C 0.793 175.896 174.900 0.339 0.000 1.139 123 G CA 0.028 45.304 45.100 0.293 0.000 0.812 123 G HN 0.214 nan 8.290 nan 0.000 0.529 124 Y N 1.305 121.588 120.300 -0.029 0.000 2.500 124 Y HA 0.097 4.647 4.550 0.000 0.000 0.270 124 Y C 2.922 178.692 175.900 -0.217 0.000 1.134 124 Y CA 0.260 58.292 58.100 -0.113 0.000 1.293 124 Y CB 0.093 38.614 38.460 0.102 0.000 1.063 124 Y HN 0.426 nan 8.280 nan 0.000 0.534 125 Q N -0.953 118.869 119.800 0.038 0.000 2.212 125 Q HA 0.028 4.368 4.340 0.000 0.000 0.199 125 Q C 2.080 178.037 176.000 -0.071 0.000 0.950 125 Q CA 1.202 56.990 55.803 -0.026 0.000 0.863 125 Q CB -0.332 28.415 28.738 0.015 0.000 0.944 125 Q HN 0.236 nan 8.270 nan 0.000 0.465 126 A N 1.614 124.409 122.820 -0.042 0.000 1.903 126 A HA 0.263 4.583 4.320 0.000 0.000 0.213 126 A C 2.289 179.807 177.584 -0.110 0.000 1.185 126 A CA 1.021 53.043 52.037 -0.025 0.000 0.628 126 A CB -0.580 18.459 19.000 0.065 0.000 0.830 126 A HN 0.469 nan 8.150 nan 0.000 0.446 127 A N -0.677 122.036 122.820 -0.178 0.000 2.239 127 A HA 0.435 4.755 4.320 0.000 0.000 0.209 127 A C 2.029 179.277 177.584 -0.560 0.000 1.171 127 A CA 1.366 53.189 52.037 -0.357 0.000 0.768 127 A CB -0.506 18.316 19.000 -0.296 0.000 0.790 127 A HN 0.793 nan 8.150 nan 0.000 0.478 128 A N -0.047 122.489 122.820 -0.473 0.000 1.901 128 A HA 0.049 4.370 4.320 0.000 0.000 0.210 128 A C 2.012 179.470 177.584 -0.210 0.000 1.208 128 A CA 0.967 52.785 52.037 -0.365 0.000 0.644 128 A CB -0.412 18.445 19.000 -0.239 0.000 0.863 128 A HN 0.541 nan 8.150 nan 0.000 0.454 129 Q N 0.516 120.211 119.800 -0.175 0.000 2.135 129 Q HA -0.177 4.163 4.340 0.000 0.000 0.204 129 Q C 1.841 177.748 176.000 -0.155 0.000 0.981 129 Q CA 1.901 57.626 55.803 -0.131 0.000 0.856 129 Q CB -0.422 28.266 28.738 -0.084 0.000 0.902 129 Q HN 0.692 nan 8.270 nan 0.000 0.425 130 K N 0.647 120.906 120.400 -0.235 0.000 2.243 130 K HA 0.090 4.410 4.320 0.000 0.000 0.201 130 K C 1.868 178.316 176.600 -0.253 0.000 1.051 130 K CA 0.823 56.918 56.287 -0.321 0.000 0.970 130 K CB -0.105 32.026 32.500 -0.614 0.000 0.755 130 K HN 0.218 nan 8.250 nan 0.000 0.465 131 A N 0.547 123.237 122.820 -0.217 0.000 2.119 131 A HA -0.027 4.293 4.320 0.000 0.000 0.216 131 A C 1.817 179.345 177.584 -0.094 0.000 1.152 131 A CA 0.471 52.423 52.037 -0.142 0.000 0.708 131 A CB -0.177 18.755 19.000 -0.113 0.000 0.805 131 A HN 0.294 nan 8.150 nan 0.000 0.460 132 Q N 0.289 120.029 119.800 -0.099 0.000 2.079 132 Q HA -0.170 4.170 4.340 0.000 0.000 0.200 132 Q C 1.709 177.667 176.000 -0.069 0.000 0.974 132 Q CA 1.769 57.531 55.803 -0.069 0.000 0.840 132 Q CB -0.270 28.428 28.738 -0.066 0.000 0.898 132 Q HN 0.845 nan 8.270 nan 0.000 0.430 133 E N 0.566 120.708 120.200 -0.096 0.000 2.051 133 E HA -0.133 4.217 4.350 0.000 0.000 0.192 133 E C 2.026 178.581 176.600 -0.074 0.000 0.991 133 E CA 0.931 57.278 56.400 -0.089 0.000 0.799 133 E CB -0.132 29.502 29.700 -0.111 0.000 0.748 133 E HN 0.253 nan 8.360 nan 0.000 0.449 134 L N 0.481 121.651 121.223 -0.088 0.000 2.478 134 L HA -0.032 4.308 4.340 0.000 0.000 0.223 134 L C 2.117 178.961 176.870 -0.044 0.000 1.140 134 L CA 0.003 54.806 54.840 -0.062 0.000 0.842 134 L CB -0.223 41.792 42.059 -0.073 0.000 0.953 134 L HN 0.085 nan 8.230 nan 0.000 0.452 135 L N 0.334 121.531 121.223 -0.043 0.000 1.955 135 L HA -0.251 4.089 4.340 0.000 0.000 0.213 135 L C 2.564 179.423 176.870 -0.019 0.000 1.072 135 L CA 1.820 56.643 54.840 -0.029 0.000 0.755 135 L CB -0.470 41.576 42.059 -0.022 0.000 0.888 135 L HN 0.140 nan 8.230 nan 0.000 0.432 136 K N -0.638 119.749 120.400 -0.022 0.000 2.044 136 K HA -0.306 4.014 4.320 0.000 0.000 0.224 136 K C 1.872 178.466 176.600 -0.010 0.000 1.056 136 K CA 2.544 58.821 56.287 -0.016 0.000 0.962 136 K CB -1.256 31.233 32.500 -0.019 0.000 0.730 136 K HN 0.545 nan 8.250 nan 0.000 0.453 137 T N -0.279 114.267 114.554 -0.013 0.000 3.072 137 T HA 0.008 4.358 4.350 0.000 0.000 0.266 137 T C 1.645 176.350 174.700 0.008 0.000 1.127 137 T CA 0.865 62.962 62.100 -0.005 0.000 1.107 137 T CB -0.407 68.456 68.868 -0.008 0.000 0.910 137 T HN 0.436 nan 8.240 nan 0.000 0.513 138 I N -0.921 119.653 120.570 0.007 0.000 3.860 138 I HA 0.520 4.690 4.170 0.000 0.000 0.319 138 I C 0.926 177.061 176.117 0.030 0.000 1.279 138 I CA -0.098 61.218 61.300 0.026 0.000 1.220 138 I CB -1.103 36.899 38.000 0.004 0.000 1.027 138 I HN 0.251 nan 8.210 nan 0.000 0.428 139 A N 2.698 125.527 122.820 0.016 0.000 1.633 139 A HA -0.237 4.083 4.320 0.000 0.000 0.227 139 A C 0.506 178.104 177.584 0.023 0.000 1.186 139 A CA 0.928 52.973 52.037 0.014 0.000 0.751 139 A CB -2.380 16.625 19.000 0.009 0.000 1.172 139 A HN 0.903 nan 8.150 nan 0.000 0.257 140 C N 3.272 122.587 119.300 0.024 0.000 2.264 140 C HA 0.698 5.158 4.460 0.000 0.000 0.324 140 C C 0.232 175.230 174.990 0.013 0.000 1.267 140 C CA -0.973 58.058 59.018 0.021 0.000 1.618 140 C CB 0.377 28.133 27.740 0.027 0.000 2.278 140 C HN 0.794 nan 8.230 nan 0.000 0.499 141 E N 2.418 122.624 120.200 0.010 0.000 2.392 141 E HA 0.447 4.797 4.350 0.000 0.000 0.264 141 E C -0.425 176.179 176.600 0.006 0.000 1.024 141 E CA -0.175 56.230 56.400 0.007 0.000 0.903 141 E CB 1.219 30.922 29.700 0.006 0.000 0.963 141 E HN 0.728 nan 8.360 nan 0.000 0.432 142 V N 1.455 121.373 119.914 0.005 0.000 2.915 142 V HA 0.312 4.432 4.120 0.000 0.000 0.273 142 V C -0.087 176.010 176.094 0.005 0.000 1.538 142 V CA -0.287 62.016 62.300 0.005 0.000 0.946 142 V CB 1.838 33.665 31.823 0.006 0.000 1.183 142 V HN 0.861 nan 8.190 nan 0.000 0.446 143 G N 3.388 112.191 108.800 0.004 0.000 2.664 143 G HA2 0.508 4.469 3.960 0.000 0.000 0.242 143 G HA3 0.508 4.469 3.960 0.000 0.000 0.242 143 G C 0.932 175.834 174.900 0.004 0.000 1.225 143 G CA 0.196 45.298 45.100 0.004 0.000 0.849 143 G HN 1.757 nan 8.290 nan 0.000 0.581 144 A N -0.268 122.555 122.820 0.004 0.000 2.252 144 A HA 0.181 4.501 4.320 0.000 0.000 0.213 144 A C 1.975 179.562 177.584 0.005 0.000 1.188 144 A CA 1.230 53.270 52.037 0.004 0.000 0.863 144 A CB 0.071 19.074 19.000 0.004 0.000 0.893 144 A HN 0.615 nan 8.150 nan 0.000 0.495 145 Q N 0.592 120.395 119.800 0.004 0.000 2.398 145 Q HA 0.023 4.363 4.340 0.000 0.000 0.204 145 Q C -0.256 175.747 176.000 0.005 0.000 0.932 145 Q CA 0.604 56.410 55.803 0.005 0.000 0.916 145 Q CB -0.628 28.113 28.738 0.005 0.000 1.024 145 Q HN 0.289 nan 8.270 nan 0.000 0.504 146 D N 1.498 121.901 120.400 0.005 0.000 2.661 146 D HA -0.104 4.537 4.640 0.000 0.000 0.244 146 D C 0.648 176.951 176.300 0.005 0.000 1.196 146 D CA 0.380 54.382 54.000 0.004 0.000 0.881 146 D CB 0.592 41.395 40.800 0.005 0.000 1.141 146 D HN 0.312 nan 8.370 nan 0.000 0.530 147 K N 3.693 124.096 120.400 0.005 0.000 2.147 147 K HA -0.186 4.134 4.320 0.000 0.000 0.205 147 K C 1.601 178.204 176.600 0.005 0.000 1.049 147 K CA 0.878 57.168 56.287 0.005 0.000 0.936 147 K CB 0.110 32.613 32.500 0.005 0.000 0.722 147 K HN 0.578 nan 8.250 nan 0.000 0.446 148 E N 1.333 121.536 120.200 0.005 0.000 2.097 148 E HA -0.221 4.129 4.350 0.000 0.000 0.196 148 E C 2.051 178.655 176.600 0.006 0.000 1.000 148 E CA 1.745 58.148 56.400 0.005 0.000 0.804 148 E CB -0.313 29.389 29.700 0.005 0.000 0.740 148 E HN 0.560 nan 8.360 nan 0.000 0.454 149 I N -1.452 119.122 120.570 0.006 0.000 2.546 149 I HA -0.176 3.994 4.170 0.000 0.000 0.255 149 I C 2.095 178.216 176.117 0.007 0.000 1.163 149 I CA 0.712 62.016 61.300 0.007 0.000 1.457 149 I CB -0.137 37.867 38.000 0.007 0.000 1.092 149 I HN 0.017 nan 8.210 nan 0.000 0.434 150 L N 1.662 122.889 121.223 0.007 0.000 2.109 150 L HA -0.109 4.232 4.340 0.000 0.000 0.207 150 L C 2.937 179.812 176.870 0.007 0.000 1.086 150 L CA 2.437 57.281 54.840 0.006 0.000 0.760 150 L CB -1.183 40.880 42.059 0.006 0.000 0.910 150 L HN 0.609 nan 8.230 nan 0.000 0.437 151 T N -3.423 111.135 114.554 0.007 0.000 2.788 151 T HA -0.238 4.112 4.350 0.000 0.000 0.268 151 T C 2.006 176.712 174.700 0.010 0.000 1.044 151 T CA 1.293 63.398 62.100 0.008 0.000 1.139 151 T CB -0.240 68.632 68.868 0.007 0.000 0.867 151 T HN 0.225 nan 8.240 nan 0.000 0.454 152 K N 0.947 121.354 120.400 0.011 0.000 2.025 152 K HA 0.056 4.376 4.320 0.000 0.000 0.207 152 K C 2.464 179.072 176.600 0.013 0.000 1.049 152 K CA 1.559 57.854 56.287 0.013 0.000 0.933 152 K CB -0.525 31.983 32.500 0.013 0.000 0.714 152 K HN 0.678 nan 8.250 nan 0.000 0.438 153 I N -1.266 119.311 120.570 0.011 0.000 2.194 153 I HA -0.271 3.899 4.170 0.000 0.000 0.246 153 I C 2.244 178.366 176.117 0.008 0.000 1.093 153 I CA 1.892 63.197 61.300 0.009 0.000 1.355 153 I CB -0.456 37.549 38.000 0.008 0.000 1.046 153 I HN -0.067 nan 8.210 nan 0.000 0.413 154 A N 2.078 124.904 122.820 0.008 0.000 1.970 154 A HA 0.014 4.334 4.320 0.000 0.000 0.216 154 A C 2.469 180.058 177.584 0.010 0.000 1.170 154 A CA 1.316 53.358 52.037 0.008 0.000 0.645 154 A CB -0.656 18.348 19.000 0.007 0.000 0.816 154 A HN 0.717 nan 8.150 nan 0.000 0.447 155 M N -1.914 117.693 119.600 0.012 0.000 2.394 155 M HA 0.009 4.489 4.480 0.000 0.000 0.264 155 M C 1.168 177.480 176.300 0.019 0.000 1.073 155 M CA 2.079 57.389 55.300 0.016 0.000 1.111 155 M CB -0.668 31.943 32.600 0.018 0.000 1.401 155 M HN 0.066 nan 8.290 nan 0.000 0.448 156 T N -0.099 114.465 114.554 0.017 0.000 3.081 156 T HA 0.126 4.476 4.350 0.000 0.000 0.250 156 T C 1.794 176.500 174.700 0.011 0.000 1.100 156 T CA 0.684 62.794 62.100 0.017 0.000 1.038 156 T CB 0.103 68.981 68.868 0.017 0.000 0.962 156 T HN 0.450 nan 8.240 nan 0.000 0.516 157 S N 0.979 116.684 115.700 0.009 0.000 2.428 157 S HA 0.190 4.661 4.470 0.000 0.000 0.230 157 S C 1.112 175.716 174.600 0.006 0.000 1.014 157 S CA 0.548 58.751 58.200 0.006 0.000 0.957 157 S CB -0.127 63.076 63.200 0.004 0.000 0.784 157 S HN 0.455 nan 8.310 nan 0.000 0.499 158 I N 2.192 122.768 120.570 0.010 0.000 3.626 158 I HA 0.134 4.305 4.170 0.000 0.000 0.345 158 I C 0.303 176.431 176.117 0.017 0.000 1.502 158 I CA -0.221 61.085 61.300 0.010 0.000 1.135 158 I CB 0.199 38.206 38.000 0.011 0.000 1.456 158 I HN 0.137 nan 8.210 nan 0.000 0.460 159 T N -1.816 112.748 114.554 0.017 0.000 2.859 159 T HA 0.547 4.897 4.350 0.000 0.000 0.281 159 T C 0.972 175.680 174.700 0.013 0.000 1.005 159 T CA -0.025 62.088 62.100 0.023 0.000 1.025 159 T CB 1.803 70.686 68.868 0.025 0.000 0.977 159 T HN 0.499 nan 8.240 nan 0.000 0.458 160 G N 2.842 111.655 108.800 0.021 0.000 2.395 160 G HA2 -0.223 3.737 3.960 0.000 0.000 0.300 160 G HA3 -0.223 3.737 3.960 0.000 0.000 0.300 160 G C -0.199 174.704 174.900 0.004 0.000 0.998 160 G CA 0.834 45.942 45.100 0.013 0.000 1.046 160 G HN 1.046 nan 8.290 nan 0.000 0.513 161 K N -1.536 118.868 120.400 0.008 0.000 2.349 161 K HA 0.726 5.046 4.320 0.000 0.000 0.243 161 K C 1.314 177.914 176.600 -0.001 0.000 1.058 161 K CA -0.673 55.611 56.287 -0.004 0.000 0.871 161 K CB 0.602 33.092 32.500 -0.016 0.000 1.337 161 K HN 0.259 nan 8.250 nan 0.000 0.469 162 G N -0.186 108.606 108.800 -0.013 0.000 3.186 162 G HA2 0.276 4.236 3.960 0.000 0.000 0.214 162 G HA3 0.276 4.236 3.960 0.000 0.000 0.214 162 G C 0.275 175.178 174.900 0.005 0.000 1.222 162 G CA 0.442 45.538 45.100 -0.006 0.000 0.921 162 G HN 0.638 nan 8.290 nan 0.000 0.504 163 A N 0.173 122.999 122.820 0.009 0.000 2.056 163 A HA 0.258 4.578 4.320 0.000 0.000 0.230 163 A C 0.808 178.400 177.584 0.013 0.000 2.771 163 A CA 0.457 52.501 52.037 0.011 0.000 1.995 163 A CB -1.045 17.960 19.000 0.008 0.000 0.355 163 A HN 0.381 nan 8.150 nan 0.000 0.878 164 E N 0.354 120.566 120.200 0.021 0.000 2.396 164 E HA -0.180 4.171 4.350 0.000 0.000 0.200 164 E C 1.354 177.969 176.600 0.024 0.000 1.023 164 E CA 1.744 58.162 56.400 0.030 0.000 0.857 164 E CB 0.042 29.772 29.700 0.049 0.000 0.775 164 E HN 0.311 nan 8.360 nan 0.000 0.525 165 K N 0.202 120.612 120.400 0.016 0.000 2.242 165 K HA 0.226 4.546 4.320 0.000 0.000 0.200 165 K C 1.492 178.094 176.600 0.003 0.000 1.050 165 K CA 0.970 57.260 56.287 0.005 0.000 0.981 165 K CB 0.034 32.536 32.500 0.004 0.000 0.795 165 K HN 0.194 nan 8.250 nan 0.000 0.477 166 A N 2.428 125.253 122.820 0.007 0.000 2.346 166 A HA -0.012 4.308 4.320 0.000 0.000 0.242 166 A C 1.755 179.344 177.584 0.008 0.000 1.323 166 A CA 0.181 52.222 52.037 0.007 0.000 0.940 166 A CB -0.462 18.543 19.000 0.009 0.000 0.943 166 A HN 0.249 nan 8.150 nan 0.000 0.501 167 K N 0.711 121.116 120.400 0.008 0.000 2.097 167 K HA -0.199 4.121 4.320 0.000 0.000 0.205 167 K C 1.510 178.115 176.600 0.009 0.000 1.050 167 K CA 1.672 57.965 56.287 0.011 0.000 0.938 167 K CB -0.268 32.242 32.500 0.015 0.000 0.718 167 K HN 0.560 nan 8.250 nan 0.000 0.442 168 E N 0.923 121.126 120.200 0.006 0.000 2.049 168 E HA -0.249 4.101 4.350 0.000 0.000 0.198 168 E C 1.939 178.542 176.600 0.005 0.000 1.007 168 E CA 1.660 58.062 56.400 0.004 0.000 0.809 168 E CB 0.082 29.782 29.700 0.001 0.000 0.749 168 E HN 0.207 nan 8.360 nan 0.000 0.450 169 K N -0.306 120.097 120.400 0.005 0.000 2.098 169 K HA -0.024 4.296 4.320 0.000 0.000 0.203 169 K C 1.915 178.519 176.600 0.008 0.000 1.051 169 K CA 0.420 56.711 56.287 0.007 0.000 0.957 169 K CB -0.089 32.415 32.500 0.007 0.000 0.738 169 K HN 0.080 nan 8.250 nan 0.000 0.447 170 L N 0.283 121.511 121.223 0.008 0.000 2.275 170 L HA 0.027 4.367 4.340 0.000 0.000 0.215 170 L C 1.941 178.815 176.870 0.007 0.000 1.119 170 L CA 1.709 56.554 54.840 0.008 0.000 0.790 170 L CB -1.029 41.035 42.059 0.008 0.000 0.919 170 L HN 0.199 nan 8.230 nan 0.000 0.443 171 A N -1.859 120.966 122.820 0.007 0.000 2.095 171 A HA -0.039 4.281 4.320 0.000 0.000 0.212 171 A C 2.276 179.864 177.584 0.007 0.000 1.162 171 A CA 0.494 52.535 52.037 0.007 0.000 0.753 171 A CB -0.101 18.904 19.000 0.008 0.000 0.840 171 A HN 0.383 nan 8.150 nan 0.000 0.468 172 E N 0.204 120.408 120.200 0.007 0.000 2.075 172 E HA -0.058 4.292 4.350 0.000 0.000 0.190 172 E C 1.978 178.582 176.600 0.007 0.000 0.969 172 E CA 0.956 57.360 56.400 0.007 0.000 0.815 172 E CB -0.149 29.555 29.700 0.006 0.000 0.776 172 E HN 0.701 nan 8.360 nan 0.000 0.457 173 I N 0.892 121.467 120.570 0.008 0.000 2.700 173 I HA -0.172 3.999 4.170 0.000 0.000 0.261 173 I C 2.159 178.280 176.117 0.006 0.000 1.219 173 I CA 1.064 62.369 61.300 0.008 0.000 1.463 173 I CB -0.685 37.321 38.000 0.010 0.000 1.092 173 I HN 0.152 nan 8.210 nan 0.000 0.452 174 I N -0.523 120.050 120.570 0.005 0.000 2.480 174 I HA -0.057 4.113 4.170 0.000 0.000 0.251 174 I C 2.204 178.323 176.117 0.003 0.000 1.124 174 I CA 0.820 62.122 61.300 0.003 0.000 1.444 174 I CB -0.589 37.413 38.000 0.003 0.000 1.098 174 I HN -0.011 nan 8.210 nan 0.000 0.428 175 V N 2.057 121.973 119.914 0.005 0.000 2.515 175 V HA -0.165 3.955 4.120 0.000 0.000 0.250 175 V C 2.504 178.602 176.094 0.005 0.000 1.058 175 V CA 1.930 64.233 62.300 0.005 0.000 1.064 175 V CB -0.902 30.924 31.823 0.005 0.000 0.675 175 V HN 0.466 nan 8.190 nan 0.000 0.461 176 E N 0.534 120.738 120.200 0.006 0.000 2.152 176 E HA -0.073 4.277 4.350 0.000 0.000 0.192 176 E C 2.319 178.922 176.600 0.005 0.000 0.983 176 E CA 1.136 57.540 56.400 0.006 0.000 0.818 176 E CB -0.193 29.511 29.700 0.008 0.000 0.758 176 E HN 0.609 nan 8.360 nan 0.000 0.467 177 A N 1.133 123.955 122.820 0.003 0.000 1.898 177 A HA -0.076 4.244 4.320 0.000 0.000 0.214 177 A C 2.479 180.062 177.584 -0.001 0.000 1.183 177 A CA 0.794 52.831 52.037 -0.001 0.000 0.622 177 A CB -0.427 18.571 19.000 -0.003 0.000 0.824 177 A HN 0.093 nan 8.150 nan 0.000 0.444 178 V N -0.054 119.860 119.914 0.000 0.000 2.548 178 V HA -0.157 3.963 4.120 0.000 0.000 0.249 178 V C 2.502 178.599 176.094 0.003 0.000 1.055 178 V CA 2.012 64.313 62.300 0.001 0.000 1.065 178 V CB -0.823 31.000 31.823 0.001 0.000 0.681 178 V HN 0.485 nan 8.190 nan 0.000 0.462 179 S N 0.076 115.779 115.700 0.005 0.000 2.469 179 S HA -0.050 4.420 4.470 0.000 0.000 0.238 179 S C 1.944 176.550 174.600 0.010 0.000 0.998 179 S CA 1.317 59.521 58.200 0.007 0.000 0.957 179 S CB -0.166 63.039 63.200 0.008 0.000 0.764 179 S HN 0.693 nan 8.310 nan 0.000 0.514 180 A N 0.653 123.478 122.820 0.009 0.000 1.984 180 A HA 0.214 4.534 4.320 0.000 0.000 0.203 180 A C 2.235 179.826 177.584 0.012 0.000 1.292 180 A CA 0.611 52.654 52.037 0.011 0.000 0.782 180 A CB -0.722 18.284 19.000 0.009 0.000 0.924 180 A HN 0.423 nan 8.150 nan 0.000 0.475 181 V N -0.997 118.920 119.914 0.004 0.000 2.287 181 V HA -0.104 4.016 4.120 0.000 0.000 0.248 181 V C 1.522 177.623 176.094 0.012 0.000 1.053 181 V CA 1.532 63.834 62.300 0.003 0.000 1.027 181 V CB -1.562 30.258 31.823 -0.005 0.000 0.646 181 V HN 0.439 nan 8.190 nan 0.000 0.447 182 V N 4.174 124.095 119.914 0.011 0.000 2.458 182 V HA 0.184 4.305 4.120 0.000 0.000 0.287 182 V C -0.145 175.959 176.094 0.017 0.000 1.009 182 V CA 0.149 62.456 62.300 0.012 0.000 1.091 182 V CB -0.777 31.051 31.823 0.009 0.000 0.960 182 V HN 0.927 nan 8.190 nan 0.000 0.476 183 D N 4.212 124.623 120.400 0.018 0.000 2.193 183 D HA 0.388 5.028 4.640 0.000 0.000 0.249 183 D C 0.150 176.458 176.300 0.013 0.000 1.034 183 D CA -0.505 53.507 54.000 0.019 0.000 0.902 183 D CB 1.000 41.815 40.800 0.024 0.000 1.182 183 D HN 0.641 nan 8.370 nan 0.000 0.436 184 D N 0.779 121.185 120.400 0.011 0.000 2.689 184 D HA -0.251 4.389 4.640 0.000 0.000 0.237 184 D C -0.728 175.576 176.300 0.006 0.000 1.148 184 D CA 0.666 54.670 54.000 0.008 0.000 0.656 184 D CB -0.986 39.819 40.800 0.007 0.000 1.050 184 D HN 0.651 nan 8.370 nan 0.000 0.426 185 E N -0.479 119.725 120.200 0.007 0.000 0.706 185 E HA -0.077 4.273 4.350 0.000 0.000 0.354 185 E C 0.688 177.290 176.600 0.005 0.000 0.731 185 E CA 1.403 57.806 56.400 0.006 0.000 1.332 185 E CB -0.897 28.806 29.700 0.005 0.000 0.404 185 E HN 0.782 nan 8.360 nan 0.000 0.359 186 G N 3.240 112.043 108.800 0.004 0.000 2.465 186 G HA2 0.029 3.989 3.960 0.000 0.000 0.230 186 G HA3 0.029 3.989 3.960 0.000 0.000 0.230 186 G C -0.364 174.538 174.900 0.003 0.000 1.324 186 G CA -0.166 44.936 45.100 0.003 0.000 0.878 186 G HN 0.406 nan 8.290 nan 0.000 0.497 187 K N -0.362 120.040 120.400 0.003 0.000 2.076 187 K HA 0.238 4.559 4.320 0.000 0.000 0.291 187 K C -0.944 175.658 176.600 0.004 0.000 1.830 187 K CA -0.223 56.066 56.287 0.004 0.000 0.842 187 K CB -0.197 32.305 32.500 0.004 0.000 1.388 187 K HN 0.579 nan 8.250 nan 0.000 0.382 188 V N 1.912 121.827 119.914 0.003 0.000 2.487 188 V HA 0.476 4.596 4.120 0.000 0.000 0.298 188 V C -0.187 175.906 176.094 -0.000 0.000 1.028 188 V CA -0.887 61.414 62.300 0.002 0.000 0.860 188 V CB 1.763 33.587 31.823 0.002 0.000 0.991 188 V HN 0.454 nan 8.190 nan 0.000 0.427 189 D N 3.598 123.998 120.400 -0.001 0.000 2.304 189 D HA 0.282 4.922 4.640 0.000 0.000 0.250 189 D C 1.049 177.345 176.300 -0.007 0.000 1.107 189 D CA -0.366 53.632 54.000 -0.004 0.000 0.885 189 D CB 1.679 42.477 40.800 -0.003 0.000 1.192 189 D HN 0.461 nan 8.370 nan 0.000 0.436 190 K N 1.646 122.042 120.400 -0.007 0.000 2.007 190 K HA -0.111 4.210 4.320 0.000 0.000 0.206 190 K C 0.883 177.474 176.600 -0.014 0.000 1.047 190 K CA 0.769 57.050 56.287 -0.009 0.000 0.937 190 K CB -0.007 32.488 32.500 -0.008 0.000 0.718 190 K HN 0.249 nan 8.250 nan 0.000 0.438 191 D N 0.763 121.154 120.400 -0.015 0.000 2.350 191 D HA -0.048 4.592 4.640 0.000 0.000 0.216 191 D C 1.334 177.618 176.300 -0.027 0.000 0.968 191 D CA 0.428 54.417 54.000 -0.019 0.000 0.894 191 D CB 0.093 40.882 40.800 -0.018 0.000 0.909 191 D HN -0.029 nan 8.370 nan 0.000 0.520 192 L N -0.157 121.050 121.223 -0.027 0.000 2.558 192 L HA 0.196 4.536 4.340 0.000 0.000 0.225 192 L C 0.590 177.439 176.870 -0.035 0.000 1.128 192 L CA 0.391 55.211 54.840 -0.035 0.000 0.868 192 L CB 0.141 42.180 42.059 -0.034 0.000 1.006 192 L HN -0.034 nan 8.230 nan 0.000 0.454 193 I N 0.211 120.764 120.570 -0.028 0.000 2.395 193 I HA 0.104 4.274 4.170 0.000 0.000 0.282 193 I C 0.640 176.739 176.117 -0.029 0.000 1.107 193 I CA -0.224 61.060 61.300 -0.026 0.000 1.210 193 I CB 0.178 38.167 38.000 -0.018 0.000 1.456 193 I HN 0.003 nan 8.210 nan 0.000 0.504 194 K N 5.814 126.190 120.400 -0.039 0.000 2.336 194 K HA 0.316 4.636 4.320 0.000 0.000 0.262 194 K C -0.108 176.470 176.600 -0.037 0.000 0.992 194 K CA -0.063 56.198 56.287 -0.043 0.000 0.927 194 K CB 0.831 33.295 32.500 -0.060 0.000 0.956 194 K HN 0.576 nan 8.250 nan 0.000 0.495 195 I N 0.545 121.093 120.570 -0.036 0.000 2.698 195 I HA 0.309 4.479 4.170 0.000 0.000 0.276 195 I C -0.910 175.187 176.117 -0.033 0.000 1.166 195 I CA -0.907 60.377 61.300 -0.028 0.000 1.101 195 I CB 1.406 39.395 38.000 -0.018 0.000 1.305 195 I HN 0.321 nan 8.210 nan 0.000 0.526 196 E N 4.999 125.172 120.200 -0.044 0.000 2.174 196 E HA 0.490 4.840 4.350 0.000 0.000 0.282 196 E C -0.999 175.581 176.600 -0.034 0.000 0.992 196 E CA -0.604 55.763 56.400 -0.055 0.000 0.803 196 E CB 1.097 30.738 29.700 -0.099 0.000 1.090 196 E HN 0.445 nan 8.360 nan 0.000 0.396 197 K N 3.695 124.080 120.400 -0.025 0.000 2.389 197 K HA 0.516 4.837 4.320 0.000 0.000 0.261 197 K C -0.595 176.003 176.600 -0.004 0.000 1.014 197 K CA -0.827 55.456 56.287 -0.006 0.000 0.920 197 K CB 1.068 33.571 32.500 0.004 0.000 1.149 197 K HN 0.104 nan 8.250 nan 0.000 0.444 198 K N 0.942 121.345 120.400 0.005 0.000 2.281 198 K HA 0.491 4.812 4.320 0.000 0.000 0.242 198 K C -0.511 176.103 176.600 0.023 0.000 0.971 198 K CA -0.783 55.513 56.287 0.015 0.000 0.834 198 K CB 2.046 34.559 32.500 0.022 0.000 1.181 198 K HN 0.578 nan 8.250 nan 0.000 0.435 199 S N 0.021 115.734 115.700 0.022 0.000 2.489 199 S HA 0.671 5.141 4.470 0.000 0.000 0.277 199 S C -0.073 174.544 174.600 0.028 0.000 1.230 199 S CA -0.351 57.862 58.200 0.022 0.000 1.053 199 S CB 0.925 64.133 63.200 0.015 0.000 0.955 199 S HN 0.741 nan 8.310 nan 0.000 0.488 200 G N 1.201 110.017 108.800 0.026 0.000 3.160 200 G HA2 0.550 4.510 3.960 0.000 0.000 0.573 200 G HA3 0.550 4.510 3.960 0.000 0.000 0.573 200 G C -0.582 174.333 174.900 0.025 0.000 1.286 200 G CA -0.149 44.966 45.100 0.024 0.000 1.151 200 G HN 1.314 nan 8.290 nan 0.000 0.555 201 A N 0.426 123.258 122.820 0.020 0.000 2.811 201 A HA 0.983 5.303 4.320 0.000 0.000 0.269 201 A C 0.170 177.763 177.584 0.015 0.000 1.011 201 A CA 0.762 52.810 52.037 0.019 0.000 0.540 201 A CB -0.135 18.877 19.000 0.019 0.000 1.626 201 A HN 2.372 nan 8.150 nan 0.000 0.777 202 S N -1.754 113.955 115.700 0.014 0.000 3.728 202 S HA 0.663 5.133 4.470 0.000 0.000 0.253 202 S C 0.975 175.584 174.600 0.014 0.000 1.032 202 S CA 0.285 58.493 58.200 0.013 0.000 1.323 202 S CB 0.393 63.598 63.200 0.009 0.000 1.223 202 S HN 1.776 nan 8.310 nan 0.000 0.728 203 I N -0.292 120.285 120.570 0.012 0.000 3.883 203 I HA 0.402 4.572 4.170 0.000 0.000 0.326 203 I C 0.007 176.130 176.117 0.011 0.000 1.283 203 I CA 0.289 61.596 61.300 0.012 0.000 1.161 203 I CB -0.046 37.960 38.000 0.010 0.000 1.012 203 I HN 0.342 nan 8.210 nan 0.000 0.421 204 D N -0.220 120.187 120.400 0.011 0.000 2.448 204 D HA 0.004 4.645 4.640 0.000 0.000 0.256 204 D C 0.803 177.110 176.300 0.012 0.000 1.108 204 D CA 0.166 54.172 54.000 0.009 0.000 0.848 204 D CB -0.018 40.785 40.800 0.006 0.000 1.281 204 D HN 0.325 nan 8.370 nan 0.000 0.509 205 D N 1.352 121.761 120.400 0.015 0.000 2.328 205 D HA -0.010 4.630 4.640 0.000 0.000 0.226 205 D C -0.019 176.296 176.300 0.025 0.000 1.066 205 D CA 0.274 54.285 54.000 0.018 0.000 0.861 205 D CB 0.255 41.066 40.800 0.018 0.000 0.912 205 D HN 0.089 nan 8.370 nan 0.000 0.521 206 T N -0.645 113.923 114.554 0.024 0.000 2.779 206 T HA 0.240 4.590 4.350 0.000 0.000 0.296 206 T C 0.014 174.730 174.700 0.027 0.000 0.938 206 T CA -0.699 61.418 62.100 0.028 0.000 1.119 206 T CB 1.124 70.005 68.868 0.022 0.000 0.891 206 T HN 0.211 nan 8.240 nan 0.000 0.526 207 E N 2.659 122.880 120.200 0.036 0.000 2.299 207 E HA 0.597 4.947 4.350 0.000 0.000 0.265 207 E C -1.276 175.347 176.600 0.037 0.000 0.911 207 E CA -1.375 55.046 56.400 0.035 0.000 0.789 207 E CB 1.420 31.145 29.700 0.042 0.000 1.246 207 E HN 0.452 nan 8.360 nan 0.000 0.427 208 L N 3.071 124.312 121.223 0.031 0.000 2.297 208 L HA 0.326 4.667 4.340 0.000 0.000 0.277 208 L C -0.522 176.367 176.870 0.032 0.000 1.040 208 L CA -0.559 54.296 54.840 0.024 0.000 0.867 208 L CB 0.613 42.681 42.059 0.015 0.000 1.244 208 L HN 0.569 nan 8.230 nan 0.000 0.433 209 I N 1.372 121.968 120.570 0.043 0.000 2.406 209 I HA 0.140 4.311 4.170 0.000 0.000 0.293 209 I C 0.801 176.934 176.117 0.027 0.000 1.101 209 I CA -0.348 60.984 61.300 0.053 0.000 1.334 209 I CB 0.255 38.314 38.000 0.099 0.000 1.421 209 I HN 0.578 nan 8.210 nan 0.000 0.513 210 K N 4.495 124.909 120.400 0.023 0.000 2.639 210 K HA -0.069 4.251 4.320 0.000 0.000 0.195 210 K C 0.950 177.547 176.600 -0.006 0.000 1.044 210 K CA 0.762 57.054 56.287 0.008 0.000 0.930 210 K CB -0.544 31.959 32.500 0.004 0.000 0.776 210 K HN 0.937 nan 8.250 nan 0.000 0.495 211 G N -0.005 108.794 108.800 -0.002 0.000 3.234 211 G HA2 0.452 4.412 3.960 0.000 0.000 0.159 211 G HA3 0.452 4.412 3.960 0.000 0.000 0.159 211 G C -1.181 173.692 174.900 -0.045 0.000 1.175 211 G CA -0.563 44.527 45.100 -0.015 0.000 0.900 211 G HN -0.037 nan 8.290 nan 0.000 0.621 212 V N 0.747 120.622 119.914 -0.065 0.000 2.407 212 V HA 0.450 4.571 4.120 0.000 0.000 0.291 212 V C -0.725 175.286 176.094 -0.139 0.000 1.018 212 V CA -0.449 61.782 62.300 -0.115 0.000 0.842 212 V CB 1.333 33.069 31.823 -0.146 0.000 0.996 212 V HN 0.487 nan 8.190 nan 0.000 0.426 213 L N 7.399 128.517 121.223 -0.174 0.000 2.277 213 L HA 0.624 4.965 4.340 0.000 0.000 0.284 213 L C 0.004 176.733 176.870 -0.234 0.000 1.028 213 L CA -0.330 54.340 54.840 -0.285 0.000 0.835 213 L CB 1.333 43.147 42.059 -0.410 0.000 1.215 213 L HN 0.644 nan 8.230 nan 0.000 0.425 214 V N 0.765 120.558 119.914 -0.202 0.000 3.406 214 V HA 0.465 4.585 4.120 0.000 0.000 0.305 214 V C 0.257 176.291 176.094 -0.100 0.000 1.136 214 V CA -0.485 61.732 62.300 -0.139 0.000 1.011 214 V CB 1.601 33.344 31.823 -0.133 0.000 1.221 214 V HN 0.692 nan 8.190 nan 0.000 0.454 215 D N -0.699 119.669 120.400 -0.053 0.000 2.370 215 D HA 0.172 4.813 4.640 0.000 0.000 0.230 215 D C 0.328 176.639 176.300 0.018 0.000 1.143 215 D CA -0.064 53.921 54.000 -0.025 0.000 0.834 215 D CB -0.348 40.426 40.800 -0.044 0.000 0.944 215 D HN 0.604 nan 8.370 nan 0.000 0.504 216 K N 0.493 120.928 120.400 0.059 0.000 2.118 216 K HA 0.290 4.610 4.320 0.000 0.000 0.267 216 K C 0.243 176.896 176.600 0.088 0.000 0.991 216 K CA -0.568 55.780 56.287 0.101 0.000 0.916 216 K CB 1.531 34.087 32.500 0.093 0.000 1.041 216 K HN 0.093 nan 8.250 nan 0.000 0.455 217 E N 1.646 121.883 120.200 0.061 0.000 2.319 217 E HA 0.133 4.483 4.350 0.000 0.000 0.268 217 E C -0.427 176.187 176.600 0.023 0.000 1.050 217 E CA -0.533 55.889 56.400 0.037 0.000 0.878 217 E CB 0.974 30.690 29.700 0.027 0.000 1.066 217 E HN 0.225 nan 8.360 nan 0.000 0.406 218 R N 2.483 122.991 120.500 0.014 0.000 2.419 218 R HA 0.064 4.404 4.340 0.000 0.000 0.305 218 R C 1.125 177.420 176.300 -0.008 0.000 1.242 218 R CA -0.166 55.930 56.100 -0.007 0.000 1.105 218 R CB 0.133 30.429 30.300 -0.006 0.000 1.116 218 R HN 0.437 nan 8.270 nan 0.000 0.523 219 V N 1.723 121.629 119.914 -0.013 0.000 2.351 219 V HA -0.389 3.731 4.120 0.000 0.000 0.243 219 V C 1.199 177.294 176.094 0.001 0.000 1.046 219 V CA 2.292 64.588 62.300 -0.007 0.000 1.107 219 V CB -0.264 31.553 31.823 -0.011 0.000 0.842 219 V HN 0.717 nan 8.190 nan 0.000 0.482 220 S N -1.774 113.924 115.700 -0.003 0.000 2.585 220 S HA 0.598 5.069 4.470 0.000 0.000 0.277 220 S C 0.737 175.336 174.600 -0.001 0.000 1.241 220 S CA -0.135 58.068 58.200 0.004 0.000 1.041 220 S CB 1.664 64.860 63.200 -0.007 0.000 0.987 220 S HN 0.626 nan 8.310 nan 0.000 0.512 221 A N 3.367 126.194 122.820 0.012 0.000 2.021 221 A HA 0.059 4.379 4.320 0.000 0.000 0.216 221 A C 2.061 179.641 177.584 -0.008 0.000 1.163 221 A CA 0.410 52.452 52.037 0.007 0.000 0.676 221 A CB -0.429 18.584 19.000 0.022 0.000 0.818 221 A HN 0.804 nan 8.150 nan 0.000 0.453 222 Q N -0.299 119.486 119.800 -0.025 0.000 2.084 222 Q HA -0.059 4.281 4.340 0.000 0.000 0.202 222 Q C 0.509 176.476 176.000 -0.054 0.000 0.978 222 Q CA 0.792 56.559 55.803 -0.061 0.000 0.844 222 Q CB -0.308 28.342 28.738 -0.147 0.000 0.898 222 Q HN 0.682 nan 8.270 nan 0.000 0.426 223 M N 2.470 122.040 119.600 -0.050 0.000 2.284 223 M HA 0.010 4.491 4.480 0.000 0.000 0.351 223 M C -2.053 174.227 176.300 -0.032 0.000 1.443 223 M CA -1.143 54.131 55.300 -0.044 0.000 1.031 223 M CB 0.067 32.640 32.600 -0.044 0.000 1.893 223 M HN -0.137 nan 8.290 nan 0.000 0.456 224 P HA -0.204 nan 4.420 nan 0.000 0.250 224 P C -0.627 176.666 177.300 -0.012 0.000 1.095 224 P CA 0.762 63.851 63.100 -0.019 0.000 0.774 224 P CB 0.057 31.746 31.700 -0.018 0.000 0.678 225 K N 3.627 124.023 120.400 -0.006 0.000 3.216 225 K HA 0.099 4.420 4.320 0.000 0.000 0.277 225 K C 0.335 176.940 176.600 0.007 0.000 1.246 225 K CA 0.202 56.491 56.287 0.003 0.000 1.227 225 K CB -0.629 31.875 32.500 0.005 0.000 1.487 225 K HN 0.448 nan 8.250 nan 0.000 0.341 226 K N -1.390 119.014 120.400 0.007 0.000 2.733 226 K HA -0.003 4.317 4.320 0.000 0.000 0.603 226 K C -1.971 174.633 176.600 0.006 0.000 1.263 226 K CA -0.123 56.169 56.287 0.009 0.000 1.059 226 K CB -0.461 32.040 32.500 0.001 0.000 1.856 226 K HN -0.089 nan 8.250 nan 0.000 0.392 227 V N 4.630 124.552 119.914 0.013 0.000 2.540 227 V HA 0.413 4.533 4.120 0.000 0.000 0.302 227 V C 1.421 177.524 176.094 0.014 0.000 1.035 227 V CA -0.014 62.291 62.300 0.009 0.000 0.873 227 V CB 1.482 33.308 31.823 0.005 0.000 0.992 227 V HN 1.011 nan 8.190 nan 0.000 0.428 228 T N 2.510 117.069 114.554 0.008 0.000 5.018 228 T HA -0.189 4.161 4.350 0.000 0.000 0.169 228 T C 0.450 175.159 174.700 0.015 0.000 1.281 228 T CA 1.295 63.401 62.100 0.009 0.000 1.255 228 T CB -0.443 68.428 68.868 0.005 0.000 0.839 228 T HN 0.851 nan 8.240 nan 0.000 0.289 229 D N 2.178 122.587 120.400 0.014 0.000 2.402 229 D HA 0.468 5.109 4.640 0.000 0.000 0.235 229 D C -0.468 175.844 176.300 0.020 0.000 1.226 229 D CA -0.551 53.460 54.000 0.017 0.000 0.918 229 D CB -0.159 40.653 40.800 0.020 0.000 1.043 229 D HN 0.777 nan 8.370 nan 0.000 0.506 230 A N 3.009 125.846 122.820 0.028 0.000 2.289 230 A HA 0.472 4.793 4.320 0.000 0.000 0.298 230 A C -0.188 177.421 177.584 0.041 0.000 1.208 230 A CA -0.918 51.139 52.037 0.034 0.000 0.845 230 A CB 0.507 19.535 19.000 0.047 0.000 1.125 230 A HN 0.325 nan 8.150 nan 0.000 0.517 231 K N 3.036 123.457 120.400 0.034 0.000 2.354 231 K HA 0.476 4.796 4.320 0.000 0.000 0.257 231 K C -0.820 175.809 176.600 0.049 0.000 1.062 231 K CA -0.274 56.037 56.287 0.041 0.000 0.971 231 K CB 0.409 32.927 32.500 0.030 0.000 1.305 231 K HN 0.532 nan 8.250 nan 0.000 0.449 232 I N 2.045 122.663 120.570 0.080 0.000 2.752 232 I HA 0.160 4.330 4.170 0.000 0.000 0.287 232 I C 0.425 176.607 176.117 0.108 0.000 1.188 232 I CA 0.297 61.673 61.300 0.127 0.000 1.427 232 I CB 0.647 38.779 38.000 0.221 0.000 1.365 232 I HN 0.645 nan 8.210 nan 0.000 0.585 233 A N 6.754 129.640 122.820 0.109 0.000 2.343 233 A HA 0.807 5.127 4.320 0.000 0.000 0.316 233 A C -1.185 176.469 177.584 0.116 0.000 1.104 233 A CA -0.509 51.580 52.037 0.087 0.000 0.768 233 A CB 0.864 19.892 19.000 0.046 0.000 1.213 233 A HN 0.508 nan 8.150 nan 0.000 0.456 234 L N 2.942 124.221 121.223 0.094 0.000 2.318 234 L HA 0.458 4.798 4.340 0.000 0.000 0.277 234 L C -0.732 176.182 176.870 0.074 0.000 1.008 234 L CA 0.004 54.907 54.840 0.104 0.000 0.846 234 L CB 1.391 43.495 42.059 0.075 0.000 1.220 234 L HN 0.701 nan 8.230 nan 0.000 0.423 235 L N 4.397 125.667 121.223 0.079 0.000 2.388 235 L HA 0.353 4.694 4.340 0.000 0.000 0.267 235 L C 0.671 177.571 176.870 0.050 0.000 0.995 235 L CA -0.227 54.645 54.840 0.054 0.000 0.864 235 L CB 1.287 43.374 42.059 0.047 0.000 1.216 235 L HN 0.671 nan 8.230 nan 0.000 0.430 236 N N 3.058 121.781 118.700 0.037 0.000 2.396 236 N HA -0.095 4.645 4.740 0.000 0.000 0.180 236 N C 0.152 175.678 175.510 0.027 0.000 1.028 236 N CA 0.532 53.600 53.050 0.030 0.000 0.893 236 N CB 0.138 38.639 38.487 0.023 0.000 0.967 236 N HN 0.554 nan 8.380 nan 0.000 0.440 237 C N 1.189 120.505 119.300 0.026 0.000 3.287 237 C HA 0.759 5.219 4.460 0.000 0.000 0.260 237 C C -0.131 174.872 174.990 0.022 0.000 1.133 237 C CA -0.303 58.728 59.018 0.022 0.000 1.402 237 C CB -1.509 26.242 27.740 0.018 0.000 1.832 237 C HN 0.552 nan 8.230 nan 0.000 0.509 238 A N 4.828 127.661 122.820 0.022 0.000 1.484 238 A HA -0.167 4.153 4.320 0.000 0.000 0.189 238 A C 0.395 177.992 177.584 0.021 0.000 1.227 238 A CA 0.976 53.025 52.037 0.020 0.000 0.644 238 A CB -0.969 18.041 19.000 0.017 0.000 1.124 238 A HN 1.216 nan 8.150 nan 0.000 0.178 239 I N 1.776 122.359 120.570 0.023 0.000 3.884 239 I HA 0.044 4.214 4.170 0.000 0.000 0.330 239 I C 1.156 177.290 176.117 0.027 0.000 1.451 239 I CA 0.529 61.844 61.300 0.026 0.000 1.165 239 I CB -0.279 37.738 38.000 0.028 0.000 1.097 239 I HN 0.855 nan 8.210 nan 0.000 0.404 240 E N 2.488 122.702 120.200 0.023 0.000 2.052 240 E HA 0.245 4.595 4.350 0.000 0.000 0.283 240 E C -0.812 175.800 176.600 0.020 0.000 1.071 240 E CA -0.187 56.225 56.400 0.021 0.000 0.851 240 E CB 0.811 30.521 29.700 0.017 0.000 1.066 240 E HN 0.170 nan 8.360 nan 0.000 0.396 241 E N 3.272 123.486 120.200 0.024 0.000 2.321 241 E HA 0.129 4.479 4.350 0.000 0.000 0.281 241 E C -0.930 175.684 176.600 0.023 0.000 0.910 241 E CA -0.834 55.579 56.400 0.021 0.000 0.770 241 E CB 1.993 31.706 29.700 0.023 0.000 1.225 241 E HN 0.606 nan 8.360 nan 0.000 0.417 242 T N 1.084 115.649 114.554 0.018 0.000 2.525 242 T HA 0.049 4.400 4.350 0.000 0.000 0.239 242 T C 0.714 175.427 174.700 0.022 0.000 1.047 242 T CA 0.582 62.692 62.100 0.017 0.000 1.215 242 T CB -0.393 68.482 68.868 0.012 0.000 1.025 242 T HN 0.631 nan 8.240 nan 0.000 0.487 243 A N 3.873 126.705 122.820 0.021 0.000 2.354 243 A HA 0.183 4.503 4.320 0.000 0.000 0.290 243 A C 1.191 178.798 177.584 0.037 0.000 1.037 243 A CA 0.882 52.935 52.037 0.026 0.000 1.257 243 A CB -0.945 18.066 19.000 0.018 0.000 0.757 243 A HN 1.758 nan 8.150 nan 0.000 0.335 244 S N 0.291 116.026 115.700 0.058 0.000 3.486 244 S HA -0.258 4.212 4.470 0.000 0.000 0.632 244 S C 1.207 175.853 174.600 0.075 0.000 2.553 244 S CA 1.506 59.755 58.200 0.082 0.000 2.974 244 S CB -1.410 61.833 63.200 0.073 0.000 0.320 244 S HN 1.777 nan 8.310 nan 0.000 1.613 245 E N -0.334 119.900 120.200 0.055 0.000 2.984 245 E HA -0.391 3.959 4.350 0.000 0.000 0.204 245 E C 1.810 178.425 176.600 0.024 0.000 0.887 245 E CA 2.649 59.066 56.400 0.029 0.000 1.571 245 E CB -0.614 29.095 29.700 0.015 0.000 1.568 245 E HN 0.575 nan 8.360 nan 0.000 0.437 246 M N -0.517 119.098 119.600 0.024 0.000 2.255 246 M HA -0.216 4.264 4.480 0.000 0.000 0.259 246 M C 2.221 178.540 176.300 0.032 0.000 1.071 246 M CA 1.300 56.613 55.300 0.022 0.000 1.074 246 M CB -0.091 32.520 32.600 0.019 0.000 1.384 246 M HN 0.368 nan 8.290 nan 0.000 0.415 247 L N -1.064 120.190 121.223 0.053 0.000 2.640 247 L HA 0.105 4.445 4.340 0.000 0.000 0.230 247 L C 1.544 178.482 176.870 0.114 0.000 1.123 247 L CA 0.733 55.618 54.840 0.075 0.000 0.900 247 L CB -0.135 41.969 42.059 0.074 0.000 1.146 247 L HN 0.023 nan 8.230 nan 0.000 0.484 248 K N -1.402 119.035 120.400 0.062 0.000 2.344 248 K HA 0.067 4.388 4.320 0.000 0.000 0.200 248 K C 1.072 177.613 176.600 -0.099 0.000 1.132 248 K CA 0.269 56.531 56.287 -0.043 0.000 0.935 248 K CB 0.319 32.680 32.500 -0.231 0.000 1.089 248 K HN 0.124 nan 8.250 nan 0.000 0.496 249 D N 0.959 121.324 120.400 -0.059 0.000 2.378 249 D HA -0.057 4.583 4.640 0.000 0.000 0.222 249 D C 1.418 177.702 176.300 -0.028 0.000 0.980 249 D CA 0.855 54.825 54.000 -0.051 0.000 0.907 249 D CB 0.237 41.017 40.800 -0.034 0.000 0.899 249 D HN 0.358 nan 8.370 nan 0.000 0.527 250 M N -0.769 118.827 119.600 -0.008 0.000 2.476 250 M HA -0.034 4.446 4.480 0.000 0.000 0.262 250 M C 1.988 178.292 176.300 0.006 0.000 1.111 250 M CA 0.451 55.754 55.300 0.004 0.000 1.127 250 M CB 0.531 33.140 32.600 0.015 0.000 1.376 250 M HN -0.135 nan 8.290 nan 0.000 0.465 251 V N 0.096 120.013 119.914 0.005 0.000 2.374 251 V HA 0.013 4.133 4.120 0.000 0.000 0.241 251 V C 2.591 178.673 176.094 -0.021 0.000 1.034 251 V CA 1.597 63.905 62.300 0.014 0.000 1.037 251 V CB -1.115 30.752 31.823 0.072 0.000 0.682 251 V HN 0.438 nan 8.190 nan 0.000 0.463 252 A N -0.439 122.343 122.820 -0.063 0.000 2.076 252 A HA -0.246 4.075 4.320 0.000 0.000 0.220 252 A C 2.233 179.791 177.584 -0.043 0.000 1.160 252 A CA 1.839 53.832 52.037 -0.074 0.000 0.653 252 A CB -0.407 18.523 19.000 -0.117 0.000 0.801 252 A HN 0.508 nan 8.150 nan 0.000 0.455 253 E N 0.146 120.328 120.200 -0.029 0.000 2.072 253 E HA -0.103 4.247 4.350 0.000 0.000 0.190 253 E C 1.889 178.482 176.600 -0.011 0.000 0.982 253 E CA 1.046 57.436 56.400 -0.017 0.000 0.803 253 E CB -0.223 29.470 29.700 -0.011 0.000 0.755 253 E HN 0.710 nan 8.360 nan 0.000 0.453 254 I N 0.933 121.499 120.570 -0.007 0.000 2.361 254 I HA -0.245 3.925 4.170 0.000 0.000 0.251 254 I C 2.438 178.550 176.117 -0.008 0.000 1.133 254 I CA 1.181 62.479 61.300 -0.004 0.000 1.413 254 I CB -0.170 37.828 38.000 -0.003 0.000 1.073 254 I HN -0.041 nan 8.210 nan 0.000 0.424 255 K N 1.517 121.909 120.400 -0.013 0.000 2.444 255 K HA 0.132 4.452 4.320 0.000 0.000 0.193 255 K C 1.780 178.372 176.600 -0.014 0.000 1.024 255 K CA 0.696 56.975 56.287 -0.014 0.000 1.077 255 K CB 0.182 32.672 32.500 -0.017 0.000 0.833 255 K HN 0.223 nan 8.250 nan 0.000 0.517 256 A N -0.203 122.609 122.820 -0.014 0.000 1.935 256 A HA 0.025 4.345 4.320 0.000 0.000 0.214 256 A C 2.086 179.667 177.584 -0.006 0.000 1.178 256 A CA 1.248 53.278 52.037 -0.011 0.000 0.640 256 A CB -0.344 18.647 19.000 -0.015 0.000 0.825 256 A HN 0.310 nan 8.150 nan 0.000 0.447 257 S N -2.056 113.642 115.700 -0.003 0.000 2.388 257 S HA 0.318 4.788 4.470 0.000 0.000 0.223 257 S C 1.417 176.018 174.600 0.003 0.000 1.034 257 S CA 1.318 59.519 58.200 0.001 0.000 0.963 257 S CB 0.201 63.403 63.200 0.004 0.000 0.827 257 S HN 1.417 nan 8.310 nan 0.000 0.481 258 G N 0.060 108.861 108.800 0.002 0.000 2.507 258 G HA2 0.057 4.017 3.960 0.000 0.000 0.205 258 G HA3 0.057 4.017 3.960 0.000 0.000 0.205 258 G C 0.048 174.950 174.900 0.004 0.000 0.996 258 G CA -0.217 44.885 45.100 0.003 0.000 0.776 258 G HN 0.676 nan 8.290 nan 0.000 0.532 259 A N 1.325 124.147 122.820 0.004 0.000 2.526 259 A HA 0.444 4.764 4.320 0.000 0.000 0.267 259 A C 1.521 179.098 177.584 -0.010 0.000 1.095 259 A CA 0.976 53.013 52.037 0.000 0.000 0.775 259 A CB 0.039 19.037 19.000 -0.002 0.000 1.036 259 A HN 0.933 nan 8.150 nan 0.000 0.510 260 N N 2.325 121.019 118.700 -0.011 0.000 2.457 260 N HA -0.030 4.710 4.740 0.000 0.000 0.180 260 N C -0.270 175.215 175.510 -0.043 0.000 1.050 260 N CA 1.245 54.283 53.050 -0.021 0.000 0.906 260 N CB -0.046 38.432 38.487 -0.014 0.000 0.968 260 N HN 0.298 nan 8.380 nan 0.000 0.445 261 V N 0.715 120.598 119.914 -0.050 0.000 2.733 261 V HA 0.531 4.651 4.120 0.000 0.000 0.306 261 V C -1.083 174.923 176.094 -0.146 0.000 1.084 261 V CA -0.974 61.257 62.300 -0.116 0.000 0.905 261 V CB 1.837 33.627 31.823 -0.054 0.000 1.010 261 V HN 0.182 nan 8.190 nan 0.000 0.424 262 L N 4.542 125.591 121.223 -0.290 0.000 2.493 262 L HA 0.757 5.097 4.340 0.000 0.000 0.265 262 L C -1.938 174.720 176.870 -0.352 0.000 0.954 262 L CA -0.149 54.578 54.840 -0.188 0.000 0.844 262 L CB 2.054 44.056 42.059 -0.094 0.000 1.302 262 L HN 0.537 nan 8.230 nan 0.000 0.405 263 F N 4.269 124.225 119.950 0.010 0.000 2.403 263 F HA 0.491 5.018 4.527 0.000 0.000 0.355 263 F C 0.182 175.986 175.800 0.007 0.000 1.119 263 F CA -0.708 57.296 58.000 0.007 0.000 1.007 263 F CB 1.249 40.251 39.000 0.004 0.000 1.194 263 F HN 0.530 nan 8.300 nan 0.000 0.443 264 C N 1.633 121.014 119.300 0.135 0.000 2.355 264 C HA 0.485 4.946 4.460 0.000 0.000 0.332 264 C C 1.317 176.356 174.990 0.080 0.000 1.255 264 C CA -0.686 58.383 59.018 0.085 0.000 1.792 264 C CB 1.056 28.826 27.740 0.050 0.000 2.300 264 C HN 1.034 nan 8.230 nan 0.000 0.515 265 Q N 1.902 121.738 119.800 0.059 0.000 2.096 265 Q HA 0.030 4.370 4.340 0.000 0.000 0.197 265 Q C 0.905 176.925 176.000 0.034 0.000 0.964 265 Q CA 1.141 56.969 55.803 0.042 0.000 0.838 265 Q CB 0.200 28.956 28.738 0.030 0.000 0.906 265 Q HN 0.722 nan 8.270 nan 0.000 0.444 266 K N 0.313 120.732 120.400 0.032 0.000 2.127 266 K HA 0.343 4.663 4.320 0.000 0.000 0.240 266 K C 0.335 176.951 176.600 0.028 0.000 1.024 266 K CA 0.155 56.458 56.287 0.026 0.000 0.918 266 K CB 0.557 33.070 32.500 0.023 0.000 1.108 266 K HN 0.273 nan 8.250 nan 0.000 0.485 267 G N 0.119 108.933 108.800 0.023 0.000 2.504 267 G HA2 0.569 4.529 3.960 0.000 0.000 0.257 267 G HA3 0.569 4.529 3.960 0.000 0.000 0.257 267 G C -0.270 174.642 174.900 0.021 0.000 1.451 267 G CA -0.591 44.522 45.100 0.021 0.000 1.059 267 G HN 0.521 nan 8.290 nan 0.000 0.550 268 I N -0.815 119.767 120.570 0.019 0.000 2.702 268 I HA 0.250 4.420 4.170 0.000 0.000 0.287 268 I C -1.773 174.354 176.117 0.016 0.000 1.342 268 I CA -0.818 60.493 61.300 0.019 0.000 1.063 268 I CB 2.006 40.017 38.000 0.018 0.000 1.331 268 I HN 0.377 nan 8.210 nan 0.000 0.427 269 D N 3.248 123.659 120.400 0.018 0.000 2.383 269 D HA 0.212 4.853 4.640 0.000 0.000 0.248 269 D C 0.731 177.033 176.300 0.003 0.000 1.170 269 D CA 0.129 54.134 54.000 0.009 0.000 0.977 269 D CB 1.447 42.254 40.800 0.011 0.000 1.120 269 D HN 0.551 nan 8.370 nan 0.000 0.481 270 D N 0.117 120.511 120.400 -0.011 0.000 2.263 270 D HA -0.084 4.556 4.640 0.000 0.000 0.208 270 D C 1.562 177.833 176.300 -0.048 0.000 0.971 270 D CA 0.532 54.518 54.000 -0.024 0.000 0.867 270 D CB 0.063 40.842 40.800 -0.034 0.000 0.929 270 D HN 0.252 nan 8.370 nan 0.000 0.492 271 L N -0.104 121.080 121.223 -0.064 0.000 2.270 271 L HA 0.059 4.399 4.340 0.000 0.000 0.210 271 L C 2.081 178.861 176.870 -0.149 0.000 1.104 271 L CA 0.384 55.141 54.840 -0.139 0.000 0.804 271 L CB -0.057 41.923 42.059 -0.132 0.000 0.937 271 L HN 0.049 nan 8.230 nan 0.000 0.450 272 A N 0.076 122.895 122.820 -0.001 0.000 1.854 272 A HA -0.257 4.063 4.320 0.000 0.000 0.214 272 A C 1.950 179.583 177.584 0.082 0.000 1.192 272 A CA 1.437 53.529 52.037 0.092 0.000 0.611 272 A CB -0.475 18.600 19.000 0.125 0.000 0.832 272 A HN 0.552 nan 8.150 nan 0.000 0.442 273 Q N -0.736 119.092 119.800 0.045 0.000 2.207 273 Q HA -0.305 4.036 4.340 0.000 0.000 0.215 273 Q C 1.978 178.003 176.000 0.042 0.000 1.006 273 Q CA 2.073 57.896 55.803 0.034 0.000 0.903 273 Q CB -0.639 28.109 28.738 0.017 0.000 0.947 273 Q HN 0.846 nan 8.270 nan 0.000 0.414 274 H N -1.135 117.875 119.070 -0.099 0.000 2.548 274 H HA -0.012 4.544 4.556 0.000 0.000 0.268 274 H C 0.947 176.204 175.328 -0.118 0.000 0.975 274 H CA 0.491 56.459 56.048 -0.132 0.000 1.195 274 H CB 0.360 29.991 29.762 -0.218 0.000 1.397 274 H HN 0.299 nan 8.280 nan 0.000 0.572 275 Y N 0.367 120.699 120.300 0.054 0.000 2.114 275 Y HA -0.185 4.365 4.550 0.000 0.000 0.284 275 Y C 2.557 178.430 175.900 -0.044 0.000 1.119 275 Y CA 0.404 58.506 58.100 0.004 0.000 1.108 275 Y CB -0.655 37.821 38.460 0.025 0.000 0.995 275 Y HN 0.135 nan 8.280 nan 0.000 0.491 276 L N -0.567 120.729 121.223 0.121 0.000 2.129 276 L HA -0.203 4.137 4.340 0.000 0.000 0.212 276 L C 2.179 179.043 176.870 -0.011 0.000 1.087 276 L CA 2.084 56.946 54.840 0.036 0.000 0.757 276 L CB -1.929 40.142 42.059 0.019 0.000 0.896 276 L HN 0.255 nan 8.230 nan 0.000 0.434 277 A N -1.650 121.143 122.820 -0.045 0.000 2.267 277 A HA -0.035 4.285 4.320 0.000 0.000 0.213 277 A C 2.231 179.735 177.584 -0.133 0.000 1.192 277 A CA 0.242 52.226 52.037 -0.089 0.000 0.851 277 A CB -0.081 18.846 19.000 -0.122 0.000 0.881 277 A HN 0.209 nan 8.150 nan 0.000 0.494 278 K N 0.176 120.499 120.400 -0.128 0.000 2.296 278 K HA -0.008 4.312 4.320 0.000 0.000 0.200 278 K C 1.581 178.165 176.600 -0.027 0.000 1.048 278 K CA 1.395 57.633 56.287 -0.082 0.000 0.966 278 K CB 0.003 32.495 32.500 -0.013 0.000 0.754 278 K HN 0.563 nan 8.250 nan 0.000 0.466 279 E N -2.015 118.175 120.200 -0.015 0.000 2.251 279 E HA 0.116 4.467 4.350 0.000 0.000 0.194 279 E C 0.848 177.438 176.600 -0.017 0.000 0.964 279 E CA 0.602 56.995 56.400 -0.011 0.000 0.868 279 E CB 0.615 30.310 29.700 -0.007 0.000 0.828 279 E HN 0.410 nan 8.360 nan 0.000 0.481 280 G N 0.985 109.770 108.800 -0.024 0.000 2.194 280 G HA2 -0.253 3.707 3.960 0.000 0.000 0.236 280 G HA3 -0.253 3.707 3.960 0.000 0.000 0.236 280 G C 0.275 175.158 174.900 -0.028 0.000 0.987 280 G CA -0.005 45.081 45.100 -0.024 0.000 0.635 280 G HN 0.183 nan 8.290 nan 0.000 0.520 281 I N 2.241 122.794 120.570 -0.028 0.000 2.396 281 I HA 0.378 4.549 4.170 0.000 0.000 0.289 281 I C 1.173 177.258 176.117 -0.053 0.000 1.056 281 I CA -0.626 60.651 61.300 -0.038 0.000 1.365 281 I CB 1.420 39.404 38.000 -0.028 0.000 1.407 281 I HN 0.139 nan 8.210 nan 0.000 0.509 282 V N 5.910 125.777 119.914 -0.077 0.000 2.555 282 V HA 0.756 4.877 4.120 0.000 0.000 0.286 282 V C 0.157 176.155 176.094 -0.161 0.000 1.044 282 V CA -0.080 62.156 62.300 -0.108 0.000 1.026 282 V CB 0.998 32.756 31.823 -0.108 0.000 0.981 282 V HN 0.823 nan 8.190 nan 0.000 0.480 283 A N 4.758 127.489 122.820 -0.147 0.000 2.454 283 A HA 0.987 5.307 4.320 0.000 0.000 0.302 283 A C -0.185 177.304 177.584 -0.158 0.000 1.079 283 A CA -0.441 51.491 52.037 -0.176 0.000 0.731 283 A CB 2.026 20.974 19.000 -0.088 0.000 1.299 283 A HN 2.330 nan 8.150 nan 0.000 0.413 284 A N 1.554 124.280 122.820 -0.156 0.000 2.483 284 A HA 0.611 4.932 4.320 0.000 0.000 0.308 284 A C 0.198 177.805 177.584 0.039 0.000 1.291 284 A CA -0.503 51.517 52.037 -0.029 0.000 0.774 284 A CB 0.180 19.234 19.000 0.090 0.000 1.134 284 A HN 1.107 nan 8.150 nan 0.000 0.471 285 R N 1.041 121.555 120.500 0.024 0.000 2.995 285 R HA 0.154 4.495 4.340 0.000 0.000 0.287 285 R C 0.554 176.880 176.300 0.044 0.000 1.168 285 R CA -0.218 55.900 56.100 0.031 0.000 1.183 285 R CB 0.222 30.534 30.300 0.019 0.000 1.157 285 R HN 0.464 nan 8.270 nan 0.000 0.577 286 R N 0.769 121.289 120.500 0.034 0.000 3.927 286 R HA -0.045 4.295 4.340 0.000 0.000 0.187 286 R C -0.860 175.463 176.300 0.039 0.000 2.122 286 R CA 0.343 56.463 56.100 0.033 0.000 1.718 286 R CB -1.714 28.600 30.300 0.022 0.000 1.177 286 R HN 0.340 nan 8.270 nan 0.000 0.627 287 V N 1.426 121.376 119.914 0.060 0.000 2.655 287 V HA 0.002 4.123 4.120 0.000 0.000 0.300 287 V C 0.973 177.088 176.094 0.036 0.000 1.044 287 V CA 0.131 62.471 62.300 0.065 0.000 1.095 287 V CB 0.941 32.841 31.823 0.128 0.000 0.952 287 V HN 0.352 nan 8.190 nan 0.000 0.485 288 K N 3.179 123.587 120.400 0.014 0.000 2.118 288 K HA 0.257 4.577 4.320 0.000 0.000 0.267 288 K C 1.158 177.755 176.600 -0.005 0.000 0.991 288 K CA -0.624 55.665 56.287 0.005 0.000 0.916 288 K CB 1.055 33.554 32.500 -0.001 0.000 1.041 288 K HN 0.647 nan 8.250 nan 0.000 0.455 289 K N 1.273 121.672 120.400 -0.003 0.000 2.054 289 K HA -0.417 3.903 4.320 0.000 0.000 0.227 289 K C 1.605 178.192 176.600 -0.020 0.000 1.019 289 K CA 2.613 58.895 56.287 -0.008 0.000 0.978 289 K CB -0.484 32.015 32.500 -0.002 0.000 0.782 289 K HN 0.658 nan 8.250 nan 0.000 0.454 290 S N 0.778 116.464 115.700 -0.022 0.000 2.412 290 S HA -0.255 4.215 4.470 0.000 0.000 0.311 290 S C 1.359 175.929 174.600 -0.051 0.000 1.182 290 S CA 2.486 60.666 58.200 -0.033 0.000 1.365 290 S CB -0.621 62.561 63.200 -0.031 0.000 1.295 290 S HN 0.512 nan 8.310 nan 0.000 0.463 291 D N -0.105 120.261 120.400 -0.058 0.000 2.355 291 D HA 0.093 4.733 4.640 0.000 0.000 0.218 291 D C 1.778 178.009 176.300 -0.115 0.000 1.004 291 D CA 0.224 54.169 54.000 -0.092 0.000 0.880 291 D CB -0.164 40.575 40.800 -0.103 0.000 0.911 291 D HN 0.321 nan 8.370 nan 0.000 0.528 292 M N 0.383 119.939 119.600 -0.074 0.000 2.213 292 M HA -0.127 4.353 4.480 0.000 0.000 0.263 292 M C 1.225 177.491 176.300 -0.057 0.000 1.062 292 M CA 1.417 56.685 55.300 -0.054 0.000 1.105 292 M CB -0.386 32.203 32.600 -0.018 0.000 1.385 292 M HN 0.043 nan 8.290 nan 0.000 0.417 293 E N -0.786 119.379 120.200 -0.057 0.000 2.476 293 E HA -0.015 4.335 4.350 0.000 0.000 0.199 293 E C 1.488 178.044 176.600 -0.074 0.000 1.021 293 E CA 0.191 56.558 56.400 -0.054 0.000 0.907 293 E CB -0.165 29.513 29.700 -0.037 0.000 0.974 293 E HN 0.503 nan 8.360 nan 0.000 0.489 294 K N 0.996 121.340 120.400 -0.094 0.000 2.062 294 K HA 0.040 4.360 4.320 0.000 0.000 0.205 294 K C 1.845 178.358 176.600 -0.145 0.000 1.051 294 K CA 0.846 57.064 56.287 -0.115 0.000 0.941 294 K CB -0.130 32.315 32.500 -0.093 0.000 0.719 294 K HN 0.052 nan 8.250 nan 0.000 0.440 295 L N 0.884 121.997 121.223 -0.183 0.000 2.179 295 L HA 0.024 4.364 4.340 0.000 0.000 0.208 295 L C 2.583 179.371 176.870 -0.136 0.000 1.096 295 L CA 0.640 55.334 54.840 -0.243 0.000 0.779 295 L CB -0.310 41.491 42.059 -0.430 0.000 0.922 295 L HN 0.289 nan 8.230 nan 0.000 0.443 296 A N 0.596 123.359 122.820 -0.094 0.000 1.968 296 A HA -0.140 4.181 4.320 0.000 0.000 0.217 296 A C 2.330 179.871 177.584 -0.072 0.000 1.169 296 A CA 1.285 53.288 52.037 -0.056 0.000 0.638 296 A CB -0.167 18.812 19.000 -0.035 0.000 0.812 296 A HN 0.356 nan 8.150 nan 0.000 0.446 297 K N -0.307 120.034 120.400 -0.098 0.000 2.044 297 K HA 0.202 4.522 4.320 0.000 0.000 0.204 297 K C 2.058 178.563 176.600 -0.158 0.000 1.045 297 K CA 1.214 57.416 56.287 -0.142 0.000 0.951 297 K CB -1.306 31.091 32.500 -0.172 0.000 0.738 297 K HN 0.244 nan 8.250 nan 0.000 0.443 298 A N 2.358 125.107 122.820 -0.118 0.000 1.900 298 A HA -0.366 3.954 4.320 0.000 0.000 0.250 298 A C 2.580 180.125 177.584 -0.065 0.000 2.132 298 A CA 4.381 56.364 52.037 -0.089 0.000 0.861 298 A CB -2.047 16.900 19.000 -0.090 0.000 0.830 298 A HN 0.758 nan 8.150 nan 0.000 0.499 299 T N -4.145 110.379 114.554 -0.049 0.000 2.701 299 T HA 0.326 4.676 4.350 0.000 0.000 0.263 299 T C 1.771 176.474 174.700 0.004 0.000 1.040 299 T CA 2.045 64.141 62.100 -0.007 0.000 1.147 299 T CB -0.560 68.322 68.868 0.024 0.000 0.865 299 T HN 2.330 nan 8.240 nan 0.000 0.426 300 G N 1.112 109.902 108.800 -0.017 0.000 2.159 300 G HA2 0.196 4.156 3.960 0.000 0.000 0.170 300 G HA3 0.196 4.156 3.960 0.000 0.000 0.170 300 G C 0.222 175.147 174.900 0.042 0.000 1.007 300 G CA -0.021 45.084 45.100 0.008 0.000 0.672 300 G HN 1.083 nan 8.290 nan 0.000 0.507 301 A N -0.225 122.609 122.820 0.025 0.000 2.507 301 A HA 0.538 4.858 4.320 0.000 0.000 0.235 301 A C 0.391 177.990 177.584 0.024 0.000 1.070 301 A CA 0.913 52.967 52.037 0.029 0.000 0.768 301 A CB 0.090 19.106 19.000 0.027 0.000 1.011 301 A HN 0.714 nan 8.150 nan 0.000 0.502 302 N N 0.189 118.907 118.700 0.028 0.000 2.443 302 N HA 0.393 5.133 4.740 0.000 0.000 0.269 302 N C -0.503 175.020 175.510 0.021 0.000 0.985 302 N CA -0.707 52.357 53.050 0.023 0.000 0.921 302 N CB 2.101 40.605 38.487 0.028 0.000 1.195 302 N HN 0.711 nan 8.380 nan 0.000 0.492 303 V N 4.109 124.032 119.914 0.015 0.000 2.703 303 V HA -0.051 4.069 4.120 0.000 0.000 0.300 303 V C 0.170 176.275 176.094 0.018 0.000 1.063 303 V CA 0.380 62.690 62.300 0.016 0.000 1.240 303 V CB -1.119 30.709 31.823 0.007 0.000 0.845 303 V HN 0.614 nan 8.190 nan 0.000 0.476 304 I N 3.716 124.299 120.570 0.022 0.000 3.449 304 I HA 0.776 4.947 4.170 0.000 0.000 0.294 304 I C 1.036 177.164 176.117 0.020 0.000 1.163 304 I CA -0.330 60.982 61.300 0.020 0.000 1.010 304 I CB 1.519 39.532 38.000 0.022 0.000 1.307 304 I HN 0.703 nan 8.210 nan 0.000 0.518 305 T N -0.635 113.929 114.554 0.018 0.000 3.309 305 T HA 0.133 4.483 4.350 0.000 0.000 0.182 305 T C 0.848 175.559 174.700 0.018 0.000 0.697 305 T CA 0.341 62.451 62.100 0.016 0.000 2.501 305 T CB -0.486 68.390 68.868 0.014 0.000 2.296 305 T HN 0.707 nan 8.240 nan 0.000 0.349 306 N N 0.252 118.961 118.700 0.016 0.000 2.290 306 N HA 0.130 4.870 4.740 0.000 0.000 0.269 306 N C 1.075 176.597 175.510 0.019 0.000 1.295 306 N CA -0.435 52.625 53.050 0.017 0.000 0.932 306 N CB -0.119 38.377 38.487 0.014 0.000 1.128 306 N HN 0.436 nan 8.380 nan 0.000 0.532 307 I N 0.854 121.436 120.570 0.019 0.000 2.138 307 I HA -0.103 4.068 4.170 0.000 0.000 0.225 307 I C 1.975 178.101 176.117 0.016 0.000 1.057 307 I CA 2.169 63.481 61.300 0.019 0.000 1.343 307 I CB -1.058 36.953 38.000 0.019 0.000 1.118 307 I HN 0.945 nan 8.210 nan 0.000 0.395 308 K N -1.285 119.122 120.400 0.012 0.000 10.660 308 K HA -0.366 3.954 4.320 0.000 0.000 0.523 308 K C 1.341 177.946 176.600 0.009 0.000 0.379 308 K CA 2.224 58.517 56.287 0.010 0.000 1.947 308 K CB -1.957 30.548 32.500 0.008 0.000 0.758 308 K HN 0.374 nan 8.250 nan 0.000 1.189 309 D N -0.136 120.272 120.400 0.012 0.000 2.423 309 D HA 0.173 4.814 4.640 0.000 0.000 0.212 309 D C 0.004 176.313 176.300 0.015 0.000 1.060 309 D CA 0.021 54.028 54.000 0.012 0.000 0.872 309 D CB 0.124 40.932 40.800 0.014 0.000 1.012 309 D HN 0.201 nan 8.370 nan 0.000 0.503 310 L N 1.082 122.315 121.223 0.017 0.000 2.654 310 L HA -0.071 4.269 4.340 0.000 0.000 0.309 310 L C -0.102 176.777 176.870 0.015 0.000 1.267 310 L CA 0.864 55.716 54.840 0.019 0.000 0.866 310 L CB -0.034 42.036 42.059 0.018 0.000 1.108 310 L HN -0.083 nan 8.230 nan 0.000 0.516 311 S N 0.724 116.434 115.700 0.017 0.000 2.744 311 S HA 0.390 4.860 4.470 0.000 0.000 0.310 311 S C 0.144 174.755 174.600 0.019 0.000 0.896 311 S CA -0.270 57.939 58.200 0.015 0.000 0.807 311 S CB 0.823 64.033 63.200 0.015 0.000 1.007 311 S HN 0.824 nan 8.310 nan 0.000 0.483 312 A N 1.494 124.324 122.820 0.016 0.000 2.259 312 A HA 0.112 4.432 4.320 0.000 0.000 0.208 312 A C 1.576 179.172 177.584 0.020 0.000 1.201 312 A CA 1.290 53.338 52.037 0.018 0.000 0.824 312 A CB -0.263 18.745 19.000 0.013 0.000 0.838 312 A HN 0.653 nan 8.150 nan 0.000 0.485 313 Q N -0.798 119.014 119.800 0.020 0.000 2.619 313 Q HA 0.035 4.375 4.340 0.000 0.000 0.230 313 Q C 0.386 176.401 176.000 0.025 0.000 0.871 313 Q CA 1.053 56.869 55.803 0.021 0.000 0.934 313 Q CB -0.923 27.826 28.738 0.019 0.000 1.183 313 Q HN 0.296 nan 8.270 nan 0.000 0.631 314 D N 0.933 121.348 120.400 0.025 0.000 2.430 314 D HA -0.019 4.622 4.640 0.000 0.000 0.240 314 D C -0.310 176.012 176.300 0.035 0.000 1.078 314 D CA 0.597 54.615 54.000 0.029 0.000 0.997 314 D CB 0.078 40.894 40.800 0.026 0.000 0.868 314 D HN 0.151 nan 8.370 nan 0.000 0.518 315 L N -0.706 120.539 121.223 0.037 0.000 2.354 315 L HA 0.554 4.894 4.340 0.000 0.000 0.264 315 L C 1.026 177.924 176.870 0.046 0.000 1.008 315 L CA -0.822 54.043 54.840 0.043 0.000 0.819 315 L CB 1.507 43.592 42.059 0.044 0.000 1.339 315 L HN -0.126 nan 8.230 nan 0.000 0.420 316 G N -0.196 108.636 108.800 0.054 0.000 2.828 316 G HA2 0.557 4.517 3.960 0.000 0.000 0.244 316 G HA3 0.557 4.517 3.960 0.000 0.000 0.244 316 G C -1.570 173.362 174.900 0.052 0.000 1.365 316 G CA -0.094 45.040 45.100 0.056 0.000 1.041 316 G HN 0.541 nan 8.290 nan 0.000 0.560 317 D N -1.374 119.059 120.400 0.054 0.000 2.333 317 D HA 0.516 5.157 4.640 0.000 0.000 0.225 317 D C -0.655 175.675 176.300 0.050 0.000 1.345 317 D CA -0.132 53.897 54.000 0.049 0.000 0.971 317 D CB 1.195 42.022 40.800 0.044 0.000 1.451 317 D HN 0.559 nan 8.370 nan 0.000 0.561 318 A N 2.372 125.225 122.820 0.055 0.000 2.363 318 A HA 0.645 4.965 4.320 0.000 0.000 0.296 318 A C 1.514 179.129 177.584 0.051 0.000 1.237 318 A CA -0.007 52.065 52.037 0.059 0.000 0.773 318 A CB 0.954 20.002 19.000 0.080 0.000 1.153 318 A HN 0.636 nan 8.150 nan 0.000 0.473 319 G N 1.604 110.430 108.800 0.042 0.000 3.011 319 G HA2 -0.234 3.727 3.960 0.000 0.000 0.312 319 G HA3 -0.234 3.727 3.960 0.000 0.000 0.312 319 G C 0.406 175.325 174.900 0.032 0.000 1.189 319 G CA 2.114 47.235 45.100 0.035 0.000 1.054 319 G HN 1.022 nan 8.290 nan 0.000 0.823 320 L N -1.768 119.481 121.223 0.043 0.000 2.505 320 L HA 0.630 4.970 4.340 0.000 0.000 0.259 320 L C -1.134 175.781 176.870 0.075 0.000 0.952 320 L CA -0.444 54.420 54.840 0.041 0.000 0.840 320 L CB 2.787 44.856 42.059 0.017 0.000 1.358 320 L HN 0.043 nan 8.230 nan 0.000 0.409 321 V N 3.012 122.971 119.914 0.074 0.000 2.629 321 V HA 0.426 4.546 4.120 0.000 0.000 0.263 321 V C -0.655 175.498 176.094 0.099 0.000 0.959 321 V CA -0.559 61.812 62.300 0.119 0.000 0.869 321 V CB 1.395 33.293 31.823 0.125 0.000 1.060 321 V HN 0.733 nan 8.190 nan 0.000 0.474 322 E N 2.778 123.047 120.200 0.114 0.000 2.222 322 E HA 0.366 4.716 4.350 0.000 0.000 0.267 322 E C -0.511 176.181 176.600 0.154 0.000 0.884 322 E CA -0.665 55.784 56.400 0.081 0.000 0.764 322 E CB 1.935 31.642 29.700 0.012 0.000 1.169 322 E HN 0.668 nan 8.360 nan 0.000 0.413 323 E N 4.764 125.037 120.200 0.121 0.000 1.985 323 E HA 0.028 4.378 4.350 0.000 0.000 0.268 323 E C -0.688 175.993 176.600 0.134 0.000 1.219 323 E CA 0.020 56.505 56.400 0.142 0.000 0.942 323 E CB 0.301 30.051 29.700 0.084 0.000 1.045 323 E HN 0.290 nan 8.360 nan 0.000 0.413 324 R N 4.319 124.948 120.500 0.216 0.000 2.204 324 R HA 0.150 4.490 4.340 0.000 0.000 0.341 324 R C -0.168 176.228 176.300 0.159 0.000 1.035 324 R CA -0.445 55.753 56.100 0.164 0.000 0.887 324 R CB 0.807 31.193 30.300 0.145 0.000 1.114 324 R HN 0.298 nan 8.270 nan 0.000 0.473 325 K N 2.855 123.310 120.400 0.091 0.000 2.472 325 K HA 0.038 4.358 4.320 0.000 0.000 0.280 325 K C -0.175 176.477 176.600 0.087 0.000 1.028 325 K CA 0.769 57.102 56.287 0.076 0.000 1.045 325 K CB 0.491 33.020 32.500 0.047 0.000 0.902 325 K HN 0.468 nan 8.250 nan 0.000 0.478 326 I N 2.489 123.112 120.570 0.088 0.000 2.512 326 I HA -0.009 4.161 4.170 0.000 0.000 0.287 326 I C 0.347 176.498 176.117 0.056 0.000 1.069 326 I CA 0.163 61.518 61.300 0.092 0.000 1.056 326 I CB 1.597 39.678 38.000 0.134 0.000 1.229 326 I HN 0.890 nan 8.210 nan 0.000 0.429 327 S N 4.800 120.527 115.700 0.045 0.000 3.011 327 S HA -0.199 4.271 4.470 0.000 0.000 0.278 327 S C 0.756 175.370 174.600 0.024 0.000 1.300 327 S CA 1.818 60.036 58.200 0.030 0.000 1.248 327 S CB -1.634 61.582 63.200 0.026 0.000 1.517 327 S HN 2.443 nan 8.310 nan 0.000 0.685 328 G N 0.298 109.115 108.800 0.029 0.000 2.545 328 G HA2 0.029 3.989 3.960 0.000 0.000 0.279 328 G HA3 0.029 3.989 3.960 0.000 0.000 0.279 328 G C -0.660 174.252 174.900 0.021 0.000 1.131 328 G CA 0.267 45.380 45.100 0.023 0.000 1.100 328 G HN 0.791 nan 8.290 nan 0.000 0.525 329 D N -0.634 119.782 120.400 0.027 0.000 2.803 329 D HA 0.425 5.065 4.640 0.000 0.000 0.218 329 D C -0.254 176.069 176.300 0.039 0.000 1.245 329 D CA -0.327 53.688 54.000 0.026 0.000 0.821 329 D CB 1.602 42.412 40.800 0.017 0.000 1.626 329 D HN 0.122 nan 8.370 nan 0.000 0.487 330 S N 1.887 117.610 115.700 0.039 0.000 2.448 330 S HA 0.422 4.893 4.470 0.000 0.000 0.279 330 S C 0.457 175.087 174.600 0.050 0.000 1.195 330 S CA -0.401 57.831 58.200 0.053 0.000 1.051 330 S CB 0.268 63.497 63.200 0.049 0.000 0.948 330 S HN 0.237 nan 8.310 nan 0.000 0.493 331 M N 2.829 122.469 119.600 0.066 0.000 2.762 331 M HA 0.616 5.096 4.480 0.000 0.000 0.306 331 M C -0.691 175.662 176.300 0.089 0.000 1.223 331 M CA -0.762 54.555 55.300 0.028 0.000 0.896 331 M CB 1.103 33.652 32.600 -0.084 0.000 1.684 331 M HN 0.343 nan 8.290 nan 0.000 0.491 332 I N 1.006 121.611 120.570 0.058 0.000 2.404 332 I HA 0.444 4.614 4.170 0.000 0.000 0.293 332 I C -1.204 174.975 176.117 0.105 0.000 0.992 332 I CA -0.403 60.999 61.300 0.171 0.000 1.149 332 I CB 1.373 39.529 38.000 0.260 0.000 1.315 332 I HN 0.454 nan 8.210 nan 0.000 0.446 333 F N 5.085 125.082 119.950 0.078 0.000 2.450 333 F HA 0.633 5.161 4.527 0.000 0.000 0.328 333 F C 0.137 175.972 175.800 0.059 0.000 1.068 333 F CA -0.644 57.385 58.000 0.048 0.000 1.007 333 F CB 1.756 40.776 39.000 0.032 0.000 1.251 333 F HN -0.038 nan 8.300 nan 0.000 0.492 334 V N 1.011 121.064 119.914 0.233 0.000 3.161 334 V HA 0.185 4.305 4.120 0.000 0.000 0.263 334 V C -0.832 175.322 176.094 0.101 0.000 0.838 334 V CA -0.903 61.478 62.300 0.135 0.000 1.057 334 V CB 0.280 32.145 31.823 0.070 0.000 0.943 334 V HN 0.758 nan 8.190 nan 0.000 0.500 335 E N 1.118 121.389 120.200 0.118 0.000 2.227 335 E HA 0.765 5.115 4.350 0.000 0.000 0.268 335 E C -0.181 176.452 176.600 0.056 0.000 0.990 335 E CA -0.701 55.751 56.400 0.087 0.000 0.856 335 E CB 1.840 31.599 29.700 0.099 0.000 1.159 335 E HN 0.344 nan 8.360 nan 0.000 0.401 336 E N -1.070 119.154 120.200 0.042 0.000 3.303 336 E HA -0.151 4.199 4.350 0.000 0.000 0.302 336 E C -0.915 175.705 176.600 0.033 0.000 0.902 336 E CA 0.490 56.910 56.400 0.033 0.000 1.042 336 E CB -2.078 27.638 29.700 0.026 0.000 1.528 336 E HN 0.581 nan 8.360 nan 0.000 0.424 337 C N 1.033 120.352 119.300 0.031 0.000 2.676 337 C HA 0.080 4.540 4.460 0.000 0.000 0.416 337 C C 2.022 177.031 174.990 0.033 0.000 1.299 337 C CA 0.027 59.062 59.018 0.027 0.000 2.048 337 C CB 0.891 28.636 27.740 0.008 0.000 2.713 337 C HN 0.328 nan 8.230 nan 0.000 0.624 338 K N 1.559 121.989 120.400 0.050 0.000 2.262 338 K HA -0.007 4.313 4.320 0.000 0.000 0.200 338 K C 0.868 177.541 176.600 0.121 0.000 1.049 338 K CA 1.338 57.668 56.287 0.072 0.000 0.979 338 K CB 0.024 32.572 32.500 0.080 0.000 0.773 338 K HN 0.947 nan 8.250 nan 0.000 0.474 339 H N 0.256 119.330 119.070 0.007 0.000 2.823 339 H HA 0.311 4.867 4.556 0.000 0.000 0.222 339 H C -2.667 172.663 175.328 0.003 0.000 1.414 339 H CA -1.357 54.694 56.048 0.005 0.000 1.289 339 H CB 0.865 30.629 29.762 0.005 0.000 1.970 339 H HN -0.100 nan 8.280 nan 0.000 0.517 340 P HA -0.007 nan 4.420 nan 0.000 0.264 340 P C 0.893 178.110 177.300 -0.138 0.000 1.236 340 P CA -0.062 62.965 63.100 -0.123 0.000 0.811 340 P CB 0.590 32.267 31.700 -0.039 0.000 0.840 341 K N 2.429 122.685 120.400 -0.241 0.000 2.366 341 K HA 0.078 4.399 4.320 0.000 0.000 0.198 341 K C 0.425 176.976 176.600 -0.082 0.000 1.044 341 K CA 0.560 56.783 56.287 -0.107 0.000 0.973 341 K CB 0.222 32.690 32.500 -0.055 0.000 0.767 341 K HN 0.280 nan 8.250 nan 0.000 0.475 342 A N 2.127 124.882 122.820 -0.109 0.000 2.291 342 A HA 0.478 4.798 4.320 0.000 0.000 0.311 342 A C -1.093 176.450 177.584 -0.070 0.000 1.224 342 A CA -0.695 51.292 52.037 -0.082 0.000 0.821 342 A CB 1.563 20.517 19.000 -0.076 0.000 1.172 342 A HN 0.075 nan 8.150 nan 0.000 0.494 343 V N 3.779 123.663 119.914 -0.049 0.000 2.384 343 V HA 0.531 4.652 4.120 0.000 0.000 0.287 343 V C 0.139 176.211 176.094 -0.037 0.000 1.020 343 V CA -0.043 62.236 62.300 -0.035 0.000 0.850 343 V CB 1.694 33.504 31.823 -0.021 0.000 0.987 343 V HN 0.955 nan 8.190 nan 0.000 0.436 344 T N 7.828 122.359 114.554 -0.039 0.000 2.913 344 T HA 0.389 4.739 4.350 0.000 0.000 0.287 344 T C -0.072 174.615 174.700 -0.022 0.000 1.008 344 T CA -0.238 61.837 62.100 -0.042 0.000 1.067 344 T CB 1.004 69.833 68.868 -0.064 0.000 0.996 344 T HN 0.709 nan 8.240 nan 0.000 0.513 345 M N 3.978 123.565 119.600 -0.022 0.000 2.065 345 M HA 0.355 4.835 4.480 0.000 0.000 0.308 345 M C -0.522 175.776 176.300 -0.003 0.000 0.939 345 M CA -0.604 54.693 55.300 -0.004 0.000 0.890 345 M CB 0.174 32.772 32.600 -0.004 0.000 1.383 345 M HN 0.551 nan 8.290 nan 0.000 0.381 346 L N 5.458 126.686 121.223 0.010 0.000 2.951 346 L HA -0.107 4.234 4.340 0.000 0.000 0.293 346 L C -1.035 175.852 176.870 0.029 0.000 1.040 346 L CA 0.917 55.774 54.840 0.029 0.000 1.005 346 L CB -0.316 41.802 42.059 0.098 0.000 1.470 346 L HN 0.619 nan 8.230 nan 0.000 0.446 347 I N 5.510 126.090 120.570 0.017 0.000 2.330 347 I HA 0.362 4.532 4.170 0.000 0.000 0.289 347 I C 0.322 176.455 176.117 0.027 0.000 1.001 347 I CA -0.737 60.575 61.300 0.020 0.000 1.193 347 I CB 1.014 39.022 38.000 0.013 0.000 1.345 347 I HN 0.472 nan 8.210 nan 0.000 0.461 348 R N 4.529 125.048 120.500 0.031 0.000 2.541 348 R HA 0.885 5.225 4.340 0.000 0.000 0.263 348 R C 0.089 176.404 176.300 0.026 0.000 1.112 348 R CA -0.906 55.212 56.100 0.031 0.000 1.170 348 R CB 0.802 31.125 30.300 0.038 0.000 1.167 348 R HN 0.856 nan 8.270 nan 0.000 0.582 349 G N -0.860 107.955 108.800 0.025 0.000 2.429 349 G HA2 0.192 4.152 3.960 0.000 0.000 0.300 349 G HA3 0.192 4.152 3.960 0.000 0.000 0.300 349 G C 0.411 175.324 174.900 0.023 0.000 1.598 349 G CA -0.162 44.953 45.100 0.024 0.000 0.863 349 G HN 0.696 nan 8.290 nan 0.000 0.614 350 T N -0.611 113.956 114.554 0.023 0.000 1.824 350 T HA -0.270 4.080 4.350 0.000 0.000 0.134 350 T C 1.258 175.970 174.700 0.020 0.000 1.870 350 T CA 2.733 64.847 62.100 0.023 0.000 0.887 350 T CB -1.277 67.608 68.868 0.027 0.000 0.796 350 T HN 1.377 nan 8.240 nan 0.000 0.404 351 T N 0.335 114.903 114.554 0.024 0.000 2.883 351 T HA 0.541 4.891 4.350 0.000 0.000 0.284 351 T C 0.852 175.565 174.700 0.022 0.000 1.041 351 T CA 0.130 62.236 62.100 0.012 0.000 1.007 351 T CB 1.781 70.642 68.868 -0.012 0.000 1.220 351 T HN 0.826 nan 8.240 nan 0.000 0.552 352 E N 0.531 120.733 120.200 0.003 0.000 3.442 352 E HA -0.436 3.914 4.350 0.000 0.000 0.345 352 E C 1.225 177.872 176.600 0.078 0.000 1.218 352 E CA 2.717 59.119 56.400 0.002 0.000 1.674 352 E CB -0.992 28.702 29.700 -0.011 0.000 1.582 352 E HN 0.821 nan 8.360 nan 0.000 0.332 353 H N 0.333 119.404 119.070 0.002 0.000 2.290 353 H HA -0.098 4.458 4.556 0.000 0.000 0.298 353 H C 2.399 177.729 175.328 0.003 0.000 1.087 353 H CA 1.362 57.412 56.048 0.003 0.000 1.291 353 H CB -0.097 29.667 29.762 0.003 0.000 1.369 353 H HN 0.137 nan 8.280 nan 0.000 0.492 354 V N 1.560 121.547 119.914 0.122 0.000 2.317 354 V HA -0.312 3.808 4.120 0.000 0.000 0.251 354 V C 2.190 178.311 176.094 0.045 0.000 1.065 354 V CA 2.036 64.375 62.300 0.065 0.000 1.049 354 V CB -0.667 31.183 31.823 0.044 0.000 0.651 354 V HN 0.383 nan 8.190 nan 0.000 0.450 355 I N 0.414 121.014 120.570 0.050 0.000 2.558 355 I HA -0.091 4.079 4.170 0.000 0.000 0.229 355 I C 2.442 178.579 176.117 0.032 0.000 1.060 355 I CA 1.211 62.532 61.300 0.034 0.000 1.396 355 I CB -1.306 36.710 38.000 0.027 0.000 1.207 355 I HN 0.349 nan 8.210 nan 0.000 0.423 356 E N 1.872 122.098 120.200 0.042 0.000 2.661 356 E HA -0.467 3.883 4.350 0.000 0.000 0.250 356 E C 1.710 178.324 176.600 0.023 0.000 1.059 356 E CA 2.600 59.029 56.400 0.048 0.000 1.381 356 E CB -0.962 28.768 29.700 0.050 0.000 1.255 356 E HN 0.715 nan 8.360 nan 0.000 0.469 357 E N 1.023 121.232 120.200 0.016 0.000 2.015 357 E HA -0.100 4.251 4.350 0.000 0.000 0.191 357 E C 2.130 178.731 176.600 0.002 0.000 0.991 357 E CA 1.637 58.034 56.400 -0.006 0.000 0.802 357 E CB -0.154 29.538 29.700 -0.014 0.000 0.759 357 E HN 0.245 nan 8.360 nan 0.000 0.447 358 V N 1.044 120.964 119.914 0.009 0.000 3.241 358 V HA -0.086 4.034 4.120 0.000 0.000 0.269 358 V C 2.068 178.164 176.094 0.004 0.000 1.151 358 V CA 1.278 63.582 62.300 0.007 0.000 1.158 358 V CB -0.591 31.238 31.823 0.010 0.000 0.764 358 V HN 0.479 nan 8.190 nan 0.000 0.508 359 A N -0.078 122.744 122.820 0.004 0.000 2.016 359 A HA -0.081 4.239 4.320 0.000 0.000 0.217 359 A C 2.395 179.977 177.584 -0.003 0.000 1.162 359 A CA 1.138 53.175 52.037 -0.000 0.000 0.662 359 A CB -0.207 18.791 19.000 -0.003 0.000 0.812 359 A HN 0.506 nan 8.150 nan 0.000 0.450 360 R N -1.211 119.287 120.500 -0.003 0.000 2.195 360 R HA 0.225 4.565 4.340 0.000 0.000 0.197 360 R C 1.945 178.242 176.300 -0.006 0.000 0.990 360 R CA 0.696 56.792 56.100 -0.006 0.000 1.048 360 R CB -0.106 30.187 30.300 -0.011 0.000 0.997 360 R HN 0.374 nan 8.270 nan 0.000 0.502 361 A N 0.702 123.520 122.820 -0.004 0.000 2.264 361 A HA -0.010 4.310 4.320 0.000 0.000 0.207 361 A C 1.610 179.194 177.584 -0.000 0.000 1.196 361 A CA 0.759 52.795 52.037 -0.001 0.000 0.778 361 A CB -0.016 18.985 19.000 0.001 0.000 0.779 361 A HN 0.195 nan 8.150 nan 0.000 0.483 362 V N -1.921 117.992 119.914 -0.001 0.000 3.539 362 V HA 0.071 4.191 4.120 0.000 0.000 0.262 362 V C 1.235 177.326 176.094 -0.004 0.000 1.381 362 V CA 1.064 63.362 62.300 -0.002 0.000 1.060 362 V CB 0.285 32.107 31.823 -0.002 0.000 0.842 362 V HN 0.370 nan 8.190 nan 0.000 0.445 363 D N 0.410 120.807 120.400 -0.005 0.000 2.194 363 D HA -0.065 4.575 4.640 0.000 0.000 0.204 363 D C 1.662 177.959 176.300 -0.005 0.000 0.964 363 D CA 1.293 55.290 54.000 -0.006 0.000 0.846 363 D CB 0.118 40.914 40.800 -0.007 0.000 0.962 363 D HN 0.479 nan 8.370 nan 0.000 0.490 364 D N 0.308 120.706 120.400 -0.004 0.000 2.110 364 D HA -0.035 4.605 4.640 0.000 0.000 0.202 364 D C 2.080 178.379 176.300 -0.001 0.000 0.975 364 D CA 1.088 55.086 54.000 -0.003 0.000 0.839 364 D CB -0.370 40.428 40.800 -0.003 0.000 0.996 364 D HN 0.062 nan 8.370 nan 0.000 0.464 365 A N 1.245 124.065 122.820 -0.000 0.000 1.886 365 A HA -0.336 3.984 4.320 0.000 0.000 0.240 365 A C 2.530 180.114 177.584 0.000 0.000 1.875 365 A CA 3.220 55.258 52.037 0.001 0.000 0.760 365 A CB -1.293 17.709 19.000 0.002 0.000 0.849 365 A HN 0.200 nan 8.150 nan 0.000 0.505 366 V N -0.614 119.299 119.914 -0.002 0.000 2.407 366 V HA -0.126 3.994 4.120 0.000 0.000 0.248 366 V C 2.711 178.804 176.094 -0.002 0.000 1.055 366 V CA 2.168 64.466 62.300 -0.002 0.000 1.049 366 V CB -1.715 30.106 31.823 -0.004 0.000 0.662 366 V HN 0.728 nan 8.190 nan 0.000 0.455 367 G N 0.729 109.528 108.800 -0.002 0.000 2.404 367 G HA2 -0.177 3.783 3.960 0.000 0.000 0.214 367 G HA3 -0.177 3.783 3.960 0.000 0.000 0.214 367 G C 1.796 176.696 174.900 -0.000 0.000 1.189 367 G CA 1.261 46.360 45.100 -0.001 0.000 0.789 367 G HN 0.555 nan 8.290 nan 0.000 0.533 368 V N -0.070 119.845 119.914 0.000 0.000 2.453 368 V HA -0.186 3.934 4.120 0.000 0.000 0.252 368 V C 2.563 178.659 176.094 0.002 0.000 1.068 368 V CA 2.265 64.566 62.300 0.001 0.000 1.070 368 V CB -0.817 31.007 31.823 0.002 0.000 0.664 368 V HN 0.142 nan 8.190 nan 0.000 0.461 369 V N 1.440 121.356 119.914 0.002 0.000 2.719 369 V HA 0.076 4.196 4.120 0.000 0.000 0.252 369 V C 2.912 179.007 176.094 0.002 0.000 1.065 369 V CA 1.559 63.860 62.300 0.003 0.000 1.086 369 V CB -1.165 30.660 31.823 0.003 0.000 0.700 369 V HN 0.652 nan 8.190 nan 0.000 0.467 370 G N -0.073 108.728 108.800 0.001 0.000 2.446 370 G HA2 -0.281 3.679 3.960 0.000 0.000 0.217 370 G HA3 -0.281 3.679 3.960 0.000 0.000 0.217 370 G C 1.726 176.627 174.900 0.002 0.000 1.168 370 G CA 1.506 46.606 45.100 0.001 0.000 0.771 370 G HN 0.556 nan 8.290 nan 0.000 0.551 371 C N 0.803 120.104 119.300 0.001 0.000 2.388 371 C HA -0.118 4.342 4.460 0.000 0.000 0.277 371 C C 3.421 178.412 174.990 0.002 0.000 1.210 371 C CA 1.847 60.866 59.018 0.001 0.000 1.743 371 C CB -1.510 26.231 27.740 0.001 0.000 2.047 371 C HN 0.613 nan 8.230 nan 0.000 0.458 372 T N 0.466 115.022 114.554 0.003 0.000 2.792 372 T HA -0.190 4.160 4.350 0.000 0.000 0.268 372 T C 1.436 176.138 174.700 0.003 0.000 1.059 372 T CA 2.092 64.194 62.100 0.003 0.000 1.136 372 T CB -0.448 68.423 68.868 0.004 0.000 0.846 372 T HN 0.399 nan 8.240 nan 0.000 0.489 373 I N 1.492 122.064 120.570 0.003 0.000 2.641 373 I HA 0.036 4.206 4.170 0.000 0.000 0.232 373 I C 2.641 178.760 176.117 0.003 0.000 1.060 373 I CA 1.200 62.502 61.300 0.003 0.000 1.417 373 I CB -1.537 36.465 38.000 0.003 0.000 1.227 373 I HN 0.412 nan 8.210 nan 0.000 0.434 374 E N 0.769 120.971 120.200 0.002 0.000 2.217 374 E HA -0.261 4.089 4.350 0.000 0.000 0.219 374 E C -0.056 176.545 176.600 0.001 0.000 1.070 374 E CA 1.492 57.893 56.400 0.002 0.000 0.889 374 E CB -0.303 29.398 29.700 0.001 0.000 0.768 374 E HN 0.431 nan 8.360 nan 0.000 0.465 375 D N -0.529 119.872 120.400 0.001 0.000 2.461 375 D HA 0.221 4.861 4.640 0.000 0.000 0.240 375 D C -0.190 176.111 176.300 0.002 0.000 1.094 375 D CA -0.105 53.895 54.000 0.001 0.000 0.868 375 D CB 1.367 42.168 40.800 0.000 0.000 1.062 375 D HN 0.151 nan 8.370 nan 0.000 0.530 376 G N 2.327 111.128 108.800 0.002 0.000 3.639 376 G HA2 0.081 4.041 3.960 0.000 0.000 0.279 376 G HA3 0.081 4.041 3.960 0.000 0.000 0.279 376 G C 0.571 175.473 174.900 0.004 0.000 1.312 376 G CA -0.319 44.782 45.100 0.003 0.000 1.355 376 G HN 0.128 nan 8.290 nan 0.000 0.595 377 R N 0.590 121.092 120.500 0.004 0.000 2.494 377 R HA 0.613 4.953 4.340 0.000 0.000 0.305 377 R C -0.407 175.897 176.300 0.007 0.000 0.959 377 R CA -0.772 55.331 56.100 0.005 0.000 0.864 377 R CB 1.262 31.564 30.300 0.003 0.000 1.159 377 R HN 0.295 nan 8.270 nan 0.000 0.446 378 I N 1.289 121.865 120.570 0.009 0.000 2.418 378 I HA 0.581 4.751 4.170 0.000 0.000 0.287 378 I C -1.401 174.726 176.117 0.017 0.000 1.008 378 I CA -0.964 60.343 61.300 0.012 0.000 1.104 378 I CB 2.008 40.015 38.000 0.012 0.000 1.264 378 I HN 0.314 nan 8.210 nan 0.000 0.438 379 V N 5.137 125.062 119.914 0.017 0.000 2.540 379 V HA 0.374 4.494 4.120 0.000 0.000 0.302 379 V C 0.296 176.406 176.094 0.026 0.000 1.035 379 V CA -0.240 62.073 62.300 0.023 0.000 0.873 379 V CB 2.287 34.120 31.823 0.017 0.000 0.992 379 V HN 0.906 nan 8.190 nan 0.000 0.428 380 S N 5.394 121.119 115.700 0.042 0.000 2.465 380 S HA 0.317 4.787 4.470 0.000 0.000 0.307 380 S C 0.618 175.239 174.600 0.035 0.000 1.187 380 S CA 0.306 58.536 58.200 0.051 0.000 1.141 380 S CB 0.092 63.352 63.200 0.100 0.000 1.108 380 S HN 1.068 nan 8.310 nan 0.000 0.525 381 G N 1.849 110.663 108.800 0.023 0.000 2.634 381 G HA2 0.449 4.409 3.960 0.000 0.000 0.255 381 G HA3 0.449 4.409 3.960 0.000 0.000 0.255 381 G C 0.941 175.851 174.900 0.016 0.000 1.205 381 G CA -0.178 44.930 45.100 0.012 0.000 0.884 381 G HN 1.286 nan 8.290 nan 0.000 0.549 382 G N -1.594 107.206 108.800 -0.000 0.000 2.323 382 G HA2 0.308 4.268 3.960 0.000 0.000 0.292 382 G HA3 0.308 4.268 3.960 0.000 0.000 0.292 382 G C 1.112 176.011 174.900 -0.000 0.000 1.040 382 G CA 1.081 46.174 45.100 -0.011 0.000 0.942 382 G HN 2.573 nan 8.290 nan 0.000 0.506 383 G N -2.217 106.582 108.800 -0.001 0.000 2.392 383 G HA2 0.088 4.048 3.960 0.000 0.000 0.215 383 G HA3 0.088 4.048 3.960 0.000 0.000 0.215 383 G C 0.811 175.709 174.900 -0.003 0.000 1.097 383 G CA 0.563 45.656 45.100 -0.012 0.000 0.840 383 G HN 1.319 nan 8.290 nan 0.000 0.492 384 S N -1.097 114.607 115.700 0.006 0.000 2.456 384 S HA 0.073 4.543 4.470 0.000 0.000 0.224 384 S C 2.341 176.749 174.600 -0.321 0.000 1.035 384 S CA 1.542 59.733 58.200 -0.015 0.000 0.940 384 S CB 0.117 63.465 63.200 0.248 0.000 0.799 384 S HN 0.555 nan 8.310 nan 0.000 0.508 385 T N 2.582 117.049 114.554 -0.146 0.000 2.809 385 T HA -0.056 4.294 4.350 0.000 0.000 0.260 385 T C 1.673 176.291 174.700 -0.137 0.000 1.039 385 T CA 1.060 63.078 62.100 -0.136 0.000 1.141 385 T CB -0.263 68.571 68.868 -0.057 0.000 0.869 385 T HN 0.443 nan 8.240 nan 0.000 0.437 386 E N 1.926 122.066 120.200 -0.100 0.000 2.365 386 E HA -0.269 4.081 4.350 0.000 0.000 0.252 386 E C 2.332 178.874 176.600 -0.096 0.000 1.017 386 E CA 2.151 58.501 56.400 -0.082 0.000 1.051 386 E CB -1.727 27.932 29.700 -0.068 0.000 0.978 386 E HN 0.526 nan 8.360 nan 0.000 0.523 387 V N 0.401 120.245 119.914 -0.116 0.000 2.453 387 V HA -0.267 3.853 4.120 0.000 0.000 0.252 387 V C 2.478 178.496 176.094 -0.128 0.000 1.068 387 V CA 2.737 64.975 62.300 -0.104 0.000 1.070 387 V CB -0.862 30.926 31.823 -0.059 0.000 0.664 387 V HN 0.315 nan 8.190 nan 0.000 0.461 388 E N 0.589 120.638 120.200 -0.251 0.000 2.072 388 E HA -0.086 4.264 4.350 0.000 0.000 0.190 388 E C 2.083 178.620 176.600 -0.104 0.000 0.982 388 E CA 1.391 57.654 56.400 -0.230 0.000 0.803 388 E CB -0.380 29.079 29.700 -0.401 0.000 0.755 388 E HN 0.638 nan 8.360 nan 0.000 0.453 389 L N 0.544 121.711 121.223 -0.094 0.000 2.079 389 L HA -0.192 4.148 4.340 0.000 0.000 0.210 389 L C 2.623 179.481 176.870 -0.019 0.000 1.081 389 L CA 1.494 56.307 54.840 -0.044 0.000 0.752 389 L CB -0.593 41.446 42.059 -0.033 0.000 0.896 389 L HN 0.298 nan 8.230 nan 0.000 0.433 390 S N 1.125 116.809 115.700 -0.027 0.000 2.335 390 S HA -0.247 4.223 4.470 0.000 0.000 0.216 390 S C 2.033 176.639 174.600 0.010 0.000 1.032 390 S CA 1.501 59.698 58.200 -0.005 0.000 1.000 390 S CB -0.284 62.906 63.200 -0.017 0.000 0.928 390 S HN 0.495 nan 8.310 nan 0.000 0.434 391 M N -0.552 119.050 119.600 0.003 0.000 2.630 391 M HA 0.217 4.697 4.480 0.000 0.000 0.254 391 M C 1.767 178.083 176.300 0.027 0.000 1.092 391 M CA 1.227 56.537 55.300 0.017 0.000 1.087 391 M CB -0.274 32.337 32.600 0.018 0.000 1.453 391 M HN 0.151 nan 8.290 nan 0.000 0.509 392 K N 0.731 121.144 120.400 0.023 0.000 2.334 392 K HA 0.252 4.572 4.320 0.000 0.000 0.195 392 K C 1.494 178.136 176.600 0.070 0.000 1.045 392 K CA 0.415 56.724 56.287 0.037 0.000 1.004 392 K CB 0.380 32.887 32.500 0.011 0.000 0.837 392 K HN 0.391 nan 8.250 nan 0.000 0.510 393 L N -0.249 121.017 121.223 0.070 0.000 2.590 393 L HA 0.141 4.481 4.340 0.000 0.000 0.227 393 L C 2.154 179.111 176.870 0.145 0.000 1.099 393 L CA 0.048 54.965 54.840 0.128 0.000 0.872 393 L CB 0.050 42.144 42.059 0.058 0.000 1.088 393 L HN 0.002 nan 8.230 nan 0.000 0.479 394 R N 1.029 121.578 120.500 0.082 0.000 2.097 394 R HA -0.186 4.154 4.340 0.000 0.000 0.236 394 R C 1.638 177.967 176.300 0.048 0.000 1.135 394 R CA 1.833 57.965 56.100 0.054 0.000 0.934 394 R CB -0.024 30.297 30.300 0.035 0.000 0.846 394 R HN 0.293 nan 8.270 nan 0.000 0.431 395 E N -0.866 119.371 120.200 0.061 0.000 2.494 395 E HA -0.137 4.213 4.350 0.000 0.000 0.193 395 E C 0.735 177.376 176.600 0.068 0.000 1.074 395 E CA 0.184 56.611 56.400 0.046 0.000 0.867 395 E CB 0.272 29.998 29.700 0.044 0.000 0.924 395 E HN 0.495 nan 8.360 nan 0.000 0.502 396 Y N 0.726 121.020 120.300 -0.009 0.000 2.503 396 Y HA 0.193 4.743 4.550 0.000 0.000 0.278 396 Y C 2.075 177.968 175.900 -0.012 0.000 1.111 396 Y CA 0.527 58.618 58.100 -0.014 0.000 1.270 396 Y CB 0.053 38.499 38.460 -0.024 0.000 1.063 396 Y HN -0.010 nan 8.280 nan 0.000 0.548 397 A N 0.713 123.417 122.820 -0.194 0.000 1.851 397 A HA -0.231 4.089 4.320 0.000 0.000 0.216 397 A C 1.958 179.427 177.584 -0.191 0.000 1.195 397 A CA 1.956 53.875 52.037 -0.197 0.000 0.622 397 A CB -0.876 18.086 19.000 -0.064 0.000 0.831 397 A HN 0.528 nan 8.150 nan 0.000 0.444 398 E N -0.635 119.496 120.200 -0.115 0.000 2.492 398 E HA -0.083 4.267 4.350 0.000 0.000 0.204 398 E C 1.681 178.213 176.600 -0.113 0.000 1.073 398 E CA 0.544 56.893 56.400 -0.085 0.000 0.887 398 E CB -0.230 29.444 29.700 -0.044 0.000 0.813 398 E HN 0.649 nan 8.360 nan 0.000 0.562 399 G N 0.884 109.562 108.800 -0.204 0.000 2.497 399 G HA2 -0.121 3.839 3.960 0.000 0.000 0.210 399 G HA3 -0.121 3.839 3.960 0.000 0.000 0.210 399 G C 1.554 176.321 174.900 -0.222 0.000 1.177 399 G CA 0.422 45.395 45.100 -0.213 0.000 0.822 399 G HN 0.340 nan 8.290 nan 0.000 0.550 400 I N 0.316 120.696 120.570 -0.316 0.000 2.185 400 I HA -0.108 4.062 4.170 0.000 0.000 0.246 400 I C 1.548 177.594 176.117 -0.117 0.000 1.088 400 I CA 0.458 61.616 61.300 -0.237 0.000 1.347 400 I CB -1.312 36.526 38.000 -0.270 0.000 1.041 400 I HN -0.036 nan 8.210 nan 0.000 0.415 401 S N 0.832 116.476 115.700 -0.093 0.000 3.345 401 S HA 0.125 4.595 4.470 0.000 0.000 0.288 401 S C 0.765 175.342 174.600 -0.039 0.000 1.561 401 S CA 1.266 59.431 58.200 -0.058 0.000 1.237 401 S CB -0.771 62.403 63.200 -0.044 0.000 0.635 401 S HN 1.207 nan 8.310 nan 0.000 0.377 402 G N 1.292 110.077 108.800 -0.025 0.000 2.516 402 G HA2 -0.215 3.745 3.960 0.000 0.000 0.220 402 G HA3 -0.215 3.745 3.960 0.000 0.000 0.220 402 G C 0.438 175.336 174.900 -0.004 0.000 1.165 402 G CA 0.345 45.436 45.100 -0.014 0.000 1.013 402 G HN 0.825 nan 8.290 nan 0.000 0.590 403 R N 0.605 121.105 120.500 0.001 0.000 2.093 403 R HA 0.169 4.509 4.340 0.000 0.000 0.224 403 R C 1.763 178.083 176.300 0.034 0.000 1.101 403 R CA 1.815 57.922 56.100 0.013 0.000 0.979 403 R CB -0.317 29.989 30.300 0.010 0.000 0.877 403 R HN 0.404 nan 8.270 nan 0.000 0.441 404 E N 1.522 121.742 120.200 0.032 0.000 2.463 404 E HA -0.167 4.184 4.350 0.000 0.000 0.201 404 E C 1.793 178.422 176.600 0.049 0.000 1.045 404 E CA 0.889 57.322 56.400 0.056 0.000 0.872 404 E CB -0.106 29.619 29.700 0.043 0.000 0.797 404 E HN 0.552 nan 8.360 nan 0.000 0.538 405 Q N 0.021 119.833 119.800 0.021 0.000 1.994 405 Q HA -0.111 4.230 4.340 0.000 0.000 0.198 405 Q C 1.092 177.121 176.000 0.049 0.000 0.976 405 Q CA 1.020 56.822 55.803 -0.002 0.000 0.828 405 Q CB 0.097 28.832 28.738 -0.005 0.000 0.894 405 Q HN 0.279 nan 8.270 nan 0.000 0.432 406 L N 0.503 121.767 121.223 0.069 0.000 2.599 406 L HA 0.206 4.546 4.340 0.000 0.000 0.230 406 L C 1.780 178.754 176.870 0.173 0.000 1.141 406 L CA 0.877 55.770 54.840 0.088 0.000 0.877 406 L CB -0.553 41.542 42.059 0.059 0.000 1.009 406 L HN 0.231 nan 8.230 nan 0.000 0.447 407 A N 0.346 123.320 122.820 0.257 0.000 1.850 407 A HA -0.021 4.299 4.320 0.000 0.000 0.212 407 A C 2.253 180.062 177.584 0.374 0.000 1.208 407 A CA 1.359 53.771 52.037 0.625 0.000 0.609 407 A CB -0.888 18.449 19.000 0.562 0.000 0.860 407 A HN 0.199 nan 8.150 nan 0.000 0.448 408 V N -1.112 118.895 119.914 0.156 0.000 2.594 408 V HA -0.218 3.903 4.120 0.000 0.000 0.253 408 V C 2.178 178.307 176.094 0.058 0.000 1.069 408 V CA 1.995 64.321 62.300 0.043 0.000 1.082 408 V CB -1.115 30.773 31.823 0.109 0.000 0.680 408 V HN 0.494 nan 8.190 nan 0.000 0.469 409 R N 1.560 122.107 120.500 0.079 0.000 2.075 409 R HA 0.059 4.399 4.340 0.000 0.000 0.230 409 R C 2.595 178.936 176.300 0.068 0.000 1.140 409 R CA 1.649 57.789 56.100 0.067 0.000 0.928 409 R CB -0.999 29.337 30.300 0.060 0.000 0.834 409 R HN 0.551 nan 8.270 nan 0.000 0.429 410 A N 0.267 123.152 122.820 0.108 0.000 2.131 410 A HA -0.173 4.147 4.320 0.000 0.000 0.220 410 A C 1.784 179.390 177.584 0.038 0.000 1.158 410 A CA 1.053 53.157 52.037 0.112 0.000 0.665 410 A CB -0.511 18.633 19.000 0.241 0.000 0.795 410 A HN 0.372 nan 8.150 nan 0.000 0.460 411 F N -0.481 119.315 119.950 -0.257 0.000 2.619 411 F HA 0.318 4.845 4.527 0.000 0.000 0.293 411 F C 2.247 177.939 175.800 -0.180 0.000 1.119 411 F CA 0.401 58.170 58.000 -0.384 0.000 1.445 411 F CB -0.046 38.531 39.000 -0.705 0.000 1.119 411 F HN 0.228 nan 8.300 nan 0.000 0.573 412 A N -0.370 122.499 122.820 0.082 0.000 1.861 412 A HA -0.064 4.257 4.320 0.000 0.000 0.212 412 A C 1.921 179.501 177.584 -0.006 0.000 1.199 412 A CA 1.455 53.526 52.037 0.057 0.000 0.613 412 A CB -0.894 18.135 19.000 0.048 0.000 0.846 412 A HN 0.225 nan 8.150 nan 0.000 0.446 413 D N 0.312 120.709 120.400 -0.004 0.000 2.265 413 D HA -0.059 4.581 4.640 0.000 0.000 0.208 413 D C 2.049 178.320 176.300 -0.047 0.000 0.977 413 D CA 1.192 55.182 54.000 -0.015 0.000 0.871 413 D CB -0.198 40.603 40.800 0.002 0.000 0.925 413 D HN 0.399 nan 8.370 nan 0.000 0.485 414 A N 0.048 122.814 122.820 -0.090 0.000 1.972 414 A HA -0.139 4.181 4.320 0.000 0.000 0.219 414 A C 1.942 179.437 177.584 -0.149 0.000 1.169 414 A CA 0.782 52.731 52.037 -0.146 0.000 0.635 414 A CB -0.427 18.470 19.000 -0.172 0.000 0.810 414 A HN 0.210 nan 8.150 nan 0.000 0.446 415 L N -0.352 120.790 121.223 -0.135 0.000 2.610 415 L HA 0.057 4.397 4.340 0.000 0.000 0.232 415 L C 1.969 178.797 176.870 -0.070 0.000 1.149 415 L CA 1.100 55.875 54.840 -0.107 0.000 0.872 415 L CB -0.339 41.683 42.059 -0.062 0.000 0.992 415 L HN 0.450 nan 8.230 nan 0.000 0.447 416 E N -1.668 118.495 120.200 -0.061 0.000 2.216 416 E HA -0.069 4.282 4.350 0.000 0.000 0.192 416 E C 2.157 178.730 176.600 -0.044 0.000 0.973 416 E CA 0.385 56.758 56.400 -0.045 0.000 0.851 416 E CB 0.281 29.961 29.700 -0.032 0.000 0.804 416 E HN 0.229 nan 8.360 nan 0.000 0.477 417 V N 1.844 121.727 119.914 -0.052 0.000 2.317 417 V HA -0.301 3.819 4.120 0.000 0.000 0.251 417 V C 2.084 178.150 176.094 -0.046 0.000 1.065 417 V CA 1.576 63.847 62.300 -0.049 0.000 1.049 417 V CB -0.254 31.537 31.823 -0.054 0.000 0.651 417 V HN 0.288 nan 8.190 nan 0.000 0.450 418 I N -0.184 120.355 120.570 -0.052 0.000 2.235 418 I HA -0.051 4.120 4.170 0.000 0.000 0.241 418 I C 0.063 176.155 176.117 -0.043 0.000 1.085 418 I CA 1.589 62.861 61.300 -0.047 0.000 1.378 418 I CB -2.054 35.917 38.000 -0.048 0.000 1.076 418 I HN 0.361 nan 8.210 nan 0.000 0.415 419 P HA -0.192 nan 4.420 nan 0.000 0.217 419 P C 1.623 178.903 177.300 -0.033 0.000 1.148 419 P CA 1.565 64.644 63.100 -0.036 0.000 0.828 419 P CB -0.206 31.475 31.700 -0.031 0.000 0.783 420 R N -0.288 120.193 120.500 -0.032 0.000 2.066 420 R HA -0.112 4.229 4.340 0.000 0.000 0.232 420 R C 2.284 178.566 176.300 -0.030 0.000 1.131 420 R CA 2.291 58.374 56.100 -0.028 0.000 0.955 420 R CB -1.032 29.252 30.300 -0.027 0.000 0.851 420 R HN 0.250 nan 8.270 nan 0.000 0.432 421 T N -0.947 113.587 114.554 -0.033 0.000 2.788 421 T HA -0.120 4.231 4.350 0.000 0.000 0.268 421 T C 1.895 176.573 174.700 -0.038 0.000 1.044 421 T CA 1.287 63.367 62.100 -0.033 0.000 1.139 421 T CB -0.325 68.523 68.868 -0.033 0.000 0.867 421 T HN 0.210 nan 8.240 nan 0.000 0.454 422 L N 0.633 121.830 121.223 -0.044 0.000 2.313 422 L HA 0.175 4.516 4.340 0.000 0.000 0.214 422 L C 3.274 180.106 176.870 -0.063 0.000 1.119 422 L CA 0.695 55.501 54.840 -0.057 0.000 0.809 422 L CB -0.823 41.199 42.059 -0.062 0.000 0.933 422 L HN 0.398 nan 8.230 nan 0.000 0.449 423 A N 0.222 123.011 122.820 -0.050 0.000 1.835 423 A HA -0.236 4.084 4.320 0.000 0.000 0.215 423 A C 2.168 179.731 177.584 -0.035 0.000 1.199 423 A CA 1.576 53.588 52.037 -0.041 0.000 0.615 423 A CB -0.572 18.410 19.000 -0.030 0.000 0.838 423 A HN 0.349 nan 8.150 nan 0.000 0.444 424 E N 0.145 120.327 120.200 -0.030 0.000 2.082 424 E HA -0.282 4.068 4.350 0.000 0.000 0.215 424 E C 1.901 178.486 176.600 -0.025 0.000 1.048 424 E CA 1.912 58.297 56.400 -0.025 0.000 0.869 424 E CB -0.421 29.265 29.700 -0.023 0.000 0.773 424 E HN 0.808 nan 8.360 nan 0.000 0.466 425 N N 0.425 119.107 118.700 -0.030 0.000 2.205 425 N HA -0.155 4.585 4.740 0.000 0.000 0.186 425 N C 1.712 177.204 175.510 -0.030 0.000 1.015 425 N CA 1.079 54.111 53.050 -0.030 0.000 0.862 425 N CB -0.242 38.227 38.487 -0.031 0.000 0.986 425 N HN 0.070 nan 8.380 nan 0.000 0.429 426 A N 0.659 123.456 122.820 -0.038 0.000 2.239 426 A HA 0.307 4.627 4.320 0.000 0.000 0.209 426 A C 1.941 179.513 177.584 -0.021 0.000 1.171 426 A CA 0.974 52.988 52.037 -0.039 0.000 0.768 426 A CB -0.808 18.152 19.000 -0.067 0.000 0.790 426 A HN 0.469 nan 8.150 nan 0.000 0.478 427 G N -1.272 107.518 108.800 -0.016 0.000 2.412 427 G HA2 -0.266 3.694 3.960 0.000 0.000 0.252 427 G HA3 -0.266 3.694 3.960 0.000 0.000 0.252 427 G C 0.280 175.174 174.900 -0.010 0.000 1.038 427 G CA 0.184 45.279 45.100 -0.010 0.000 0.628 427 G HN 1.136 nan 8.290 nan 0.000 0.531 428 L N 0.327 121.542 121.223 -0.013 0.000 3.913 428 L HA -0.088 4.252 4.340 0.000 0.000 0.544 428 L C 0.282 177.146 176.870 -0.011 0.000 1.002 428 L CA 0.631 55.462 54.840 -0.015 0.000 1.008 428 L CB -1.181 40.870 42.059 -0.014 0.000 0.760 428 L HN 0.630 nan 8.230 nan 0.000 0.846 429 D N 2.269 122.665 120.400 -0.007 0.000 2.344 429 D HA 0.521 5.161 4.640 0.000 0.000 0.253 429 D C 1.072 177.367 176.300 -0.007 0.000 1.255 429 D CA 0.568 54.564 54.000 -0.006 0.000 0.894 429 D CB 1.201 41.998 40.800 -0.005 0.000 1.067 429 D HN 0.611 nan 8.370 nan 0.000 0.492 430 A N 5.364 128.179 122.820 -0.009 0.000 1.845 430 A HA -0.159 4.161 4.320 0.000 0.000 0.215 430 A C 2.309 179.890 177.584 -0.006 0.000 1.195 430 A CA 0.930 52.962 52.037 -0.009 0.000 0.616 430 A CB -0.776 18.216 19.000 -0.013 0.000 0.832 430 A HN 0.787 nan 8.150 nan 0.000 0.443 431 I N -0.185 120.382 120.570 -0.004 0.000 2.181 431 I HA -0.329 3.841 4.170 0.000 0.000 0.247 431 I C 2.056 178.173 176.117 0.000 0.000 1.081 431 I CA 2.587 63.886 61.300 -0.002 0.000 1.340 431 I CB -0.480 37.520 38.000 -0.001 0.000 1.036 431 I HN 0.513 nan 8.210 nan 0.000 0.417 432 E N 0.687 120.887 120.200 0.001 0.000 2.051 432 E HA -0.142 4.208 4.350 0.000 0.000 0.189 432 E C 2.255 178.858 176.600 0.004 0.000 0.979 432 E CA 1.531 57.933 56.400 0.003 0.000 0.803 432 E CB -0.068 29.634 29.700 0.003 0.000 0.761 432 E HN 0.604 nan 8.360 nan 0.000 0.451 433 I N 1.239 121.810 120.570 0.002 0.000 2.252 433 I HA -0.225 3.945 4.170 0.000 0.000 0.245 433 I C 2.023 178.144 176.117 0.006 0.000 1.102 433 I CA 0.657 61.959 61.300 0.003 0.000 1.385 433 I CB -0.225 37.774 38.000 -0.001 0.000 1.064 433 I HN 0.113 nan 8.210 nan 0.000 0.414 434 L N 0.437 121.662 121.223 0.003 0.000 2.376 434 L HA -0.040 4.300 4.340 0.000 0.000 0.219 434 L C 2.230 179.106 176.870 0.010 0.000 1.133 434 L CA 1.248 56.091 54.840 0.005 0.000 0.816 434 L CB -0.953 41.105 42.059 -0.002 0.000 0.933 434 L HN 0.185 nan 8.230 nan 0.000 0.449 435 V N -1.224 118.696 119.914 0.010 0.000 3.506 435 V HA -0.025 4.095 4.120 0.000 0.000 0.263 435 V C 2.256 178.360 176.094 0.016 0.000 1.203 435 V CA 0.577 62.885 62.300 0.013 0.000 1.133 435 V CB -0.105 31.724 31.823 0.009 0.000 0.802 435 V HN 0.366 nan 8.190 nan 0.000 0.459 436 K N -0.040 120.369 120.400 0.016 0.000 2.128 436 K HA 0.030 4.351 4.320 0.000 0.000 0.202 436 K C 2.035 178.652 176.600 0.027 0.000 1.050 436 K CA 0.869 57.167 56.287 0.018 0.000 0.966 436 K CB 0.059 32.568 32.500 0.014 0.000 0.759 436 K HN 0.315 nan 8.250 nan 0.000 0.454 437 V N 1.351 121.286 119.914 0.035 0.000 2.407 437 V HA -0.137 3.983 4.120 0.000 0.000 0.245 437 V C 2.297 178.448 176.094 0.095 0.000 1.041 437 V CA 1.292 63.628 62.300 0.062 0.000 1.040 437 V CB -0.402 31.459 31.823 0.063 0.000 0.671 437 V HN 0.251 nan 8.190 nan 0.000 0.455 438 R N 0.302 120.840 120.500 0.063 0.000 2.088 438 R HA -0.172 4.168 4.340 0.000 0.000 0.232 438 R C 2.455 178.801 176.300 0.077 0.000 1.136 438 R CA 1.763 57.904 56.100 0.067 0.000 0.926 438 R CB -0.770 29.551 30.300 0.035 0.000 0.837 438 R HN 0.492 nan 8.270 nan 0.000 0.429 439 A N 0.699 123.548 122.820 0.049 0.000 2.032 439 A HA -0.173 4.147 4.320 0.000 0.000 0.221 439 A C 2.202 179.808 177.584 0.036 0.000 1.165 439 A CA 1.897 53.956 52.037 0.037 0.000 0.645 439 A CB -0.514 18.500 19.000 0.023 0.000 0.807 439 A HN 0.519 nan 8.150 nan 0.000 0.453 440 A N -1.806 121.037 122.820 0.037 0.000 2.016 440 A HA -0.015 4.305 4.320 0.000 0.000 0.217 440 A C 1.857 179.428 177.584 -0.023 0.000 1.162 440 A CA 1.465 53.502 52.037 0.000 0.000 0.662 440 A CB -0.674 18.317 19.000 -0.016 0.000 0.812 440 A HN 0.699 nan 8.150 nan 0.000 0.450 441 H N -0.456 118.616 119.070 0.003 0.000 2.357 441 H HA 0.022 4.578 4.556 0.000 0.000 0.301 441 H C 2.422 177.752 175.328 0.003 0.000 1.082 441 H CA 1.521 57.571 56.048 0.003 0.000 1.342 441 H CB 0.037 29.800 29.762 0.002 0.000 1.389 441 H HN 0.494 nan 8.280 nan 0.000 0.511 442 A N -0.512 122.382 122.820 0.124 0.000 1.940 442 A HA -0.191 4.129 4.320 0.000 0.000 0.219 442 A C 2.332 179.941 177.584 0.040 0.000 1.176 442 A CA 2.163 54.243 52.037 0.073 0.000 0.631 442 A CB -0.359 18.671 19.000 0.050 0.000 0.814 442 A HN 0.408 nan 8.150 nan 0.000 0.446 443 S N -0.207 115.504 115.700 0.018 0.000 2.499 443 S HA -0.047 4.423 4.470 0.000 0.000 0.225 443 S C 1.699 176.286 174.600 -0.022 0.000 1.050 443 S CA 0.538 58.737 58.200 -0.002 0.000 0.928 443 S CB -0.252 62.947 63.200 -0.001 0.000 0.803 443 S HN 0.861 nan 8.310 nan 0.000 0.506 444 N N 1.976 120.641 118.700 -0.057 0.000 2.131 444 N HA 0.351 5.091 4.740 0.000 0.000 0.190 444 N C 0.839 176.305 175.510 -0.074 0.000 1.055 444 N CA 1.154 54.152 53.050 -0.086 0.000 0.853 444 N CB -0.898 37.544 38.487 -0.075 0.000 1.035 444 N HN 0.425 nan 8.380 nan 0.000 0.440 445 G N -1.565 107.162 108.800 -0.121 0.000 2.352 445 G HA2 0.114 4.074 3.960 0.000 0.000 0.305 445 G HA3 0.114 4.074 3.960 0.000 0.000 0.305 445 G C -0.103 174.744 174.900 -0.088 0.000 1.537 445 G CA -0.078 44.997 45.100 -0.042 0.000 0.959 445 G HN 0.465 nan 8.290 nan 0.000 0.668 446 N N 0.663 119.457 118.700 0.157 0.000 2.090 446 N HA -0.448 4.292 4.740 0.000 0.000 0.156 446 N C 1.923 177.548 175.510 0.193 0.000 0.679 446 N CA 3.156 56.359 53.050 0.254 0.000 0.868 446 N CB -0.654 37.895 38.487 0.103 0.000 0.926 446 N HN 0.887 nan 8.380 nan 0.000 1.155 447 K N -0.610 119.817 120.400 0.045 0.000 1.985 447 K HA -0.072 4.248 4.320 0.000 0.000 0.210 447 K C 1.006 177.582 176.600 -0.039 0.000 1.047 447 K CA 1.488 57.780 56.287 0.008 0.000 0.932 447 K CB -0.789 31.709 32.500 -0.003 0.000 0.716 447 K HN 0.461 nan 8.250 nan 0.000 0.439 448 C N 2.052 121.272 119.300 -0.133 0.000 2.484 448 C HA 0.697 5.157 4.460 0.000 0.000 0.494 448 C C 0.033 174.822 174.990 -0.335 0.000 1.052 448 C CA -0.262 58.650 59.018 -0.177 0.000 1.307 448 C CB -1.762 25.927 27.740 -0.084 0.000 1.464 448 C HN 0.448 nan 8.230 nan 0.000 0.564 449 A N 3.568 126.242 122.820 -0.243 0.000 3.208 449 A HA 0.587 4.907 4.320 0.000 0.000 0.252 449 A C 0.318 177.983 177.584 0.136 0.000 1.225 449 A CA 0.261 52.257 52.037 -0.068 0.000 0.980 449 A CB -0.635 18.276 19.000 -0.149 0.000 1.414 449 A HN 1.061 nan 8.150 nan 0.000 0.721 450 G N -0.335 108.509 108.800 0.072 0.000 2.494 450 G HA2 0.566 4.527 3.960 0.000 0.000 0.270 450 G HA3 0.566 4.527 3.960 0.000 0.000 0.270 450 G C -0.228 174.695 174.900 0.037 0.000 1.423 450 G CA -0.441 44.697 45.100 0.063 0.000 1.055 450 G HN 0.775 nan 8.290 nan 0.000 0.536 451 L N 0.105 121.337 121.223 0.015 0.000 2.435 451 L HA 0.236 4.576 4.340 0.000 0.000 0.259 451 L C -0.231 176.616 176.870 -0.038 0.000 1.563 451 L CA -0.595 54.242 54.840 -0.006 0.000 0.789 451 L CB 0.880 42.932 42.059 -0.012 0.000 0.989 451 L HN 0.463 nan 8.230 nan 0.000 0.522 452 N N 0.344 119.035 118.700 -0.014 0.000 2.411 452 N HA 0.029 4.769 4.740 0.000 0.000 0.265 452 N C 1.452 176.908 175.510 -0.089 0.000 1.266 452 N CA 0.415 53.446 53.050 -0.032 0.000 0.889 452 N CB 1.263 39.797 38.487 0.079 0.000 1.069 452 N HN 0.306 nan 8.380 nan 0.000 0.476 453 V N 2.660 122.415 119.914 -0.264 0.000 2.332 453 V HA -0.190 3.930 4.120 0.000 0.000 0.248 453 V C 1.640 177.624 176.094 -0.184 0.000 1.055 453 V CA 1.431 63.540 62.300 -0.319 0.000 1.038 453 V CB -1.147 30.316 31.823 -0.600 0.000 0.651 453 V HN 0.507 nan 8.190 nan 0.000 0.450 454 F N 1.496 121.447 119.950 0.002 0.000 2.060 454 F HA -0.012 4.515 4.527 0.000 0.000 0.295 454 F C 2.810 178.610 175.800 0.001 0.000 1.120 454 F CA 2.155 60.156 58.000 0.001 0.000 1.205 454 F CB -1.394 37.606 39.000 0.001 0.000 0.986 454 F HN 0.084 nan 8.300 nan 0.000 0.470 455 T N -1.391 113.285 114.554 0.203 0.000 3.009 455 T HA 0.248 4.598 4.350 0.000 0.000 0.258 455 T C 0.814 175.551 174.700 0.062 0.000 1.063 455 T CA 0.963 63.127 62.100 0.106 0.000 1.139 455 T CB -0.652 68.267 68.868 0.085 0.000 0.890 455 T HN 0.485 nan 8.240 nan 0.000 0.471 456 G N 1.486 110.314 108.800 0.046 0.000 2.815 456 G HA2 0.347 4.307 3.960 0.000 0.000 0.234 456 G HA3 0.347 4.307 3.960 0.000 0.000 0.234 456 G C -0.174 174.737 174.900 0.019 0.000 0.971 456 G CA -0.398 44.714 45.100 0.019 0.000 1.124 456 G HN 1.062 nan 8.290 nan 0.000 0.435 457 A N 0.471 123.300 122.820 0.015 0.000 2.529 457 A HA 0.749 5.069 4.320 0.000 0.000 0.300 457 A C -0.055 177.540 177.584 0.017 0.000 0.942 457 A CA 0.008 52.055 52.037 0.016 0.000 0.614 457 A CB 0.029 19.042 19.000 0.020 0.000 1.367 457 A HN 2.205 nan 8.150 nan 0.000 0.443 458 V N -0.463 119.460 119.914 0.016 0.000 2.555 458 V HA 0.664 4.784 4.120 0.000 0.000 0.286 458 V C 0.174 176.277 176.094 0.014 0.000 1.044 458 V CA 0.131 62.441 62.300 0.017 0.000 1.026 458 V CB 0.790 32.623 31.823 0.017 0.000 0.981 458 V HN 0.987 nan 8.190 nan 0.000 0.480 459 E N 1.949 122.159 120.200 0.016 0.000 2.317 459 E HA 0.311 4.661 4.350 0.000 0.000 0.270 459 E C -1.006 175.595 176.600 0.003 0.000 0.885 459 E CA -0.826 55.583 56.400 0.014 0.000 0.760 459 E CB 1.782 31.501 29.700 0.032 0.000 1.227 459 E HN 0.830 nan 8.360 nan 0.000 0.434 460 D N 4.742 125.138 120.400 -0.006 0.000 2.389 460 D HA -0.068 4.572 4.640 0.000 0.000 0.278 460 D C 1.118 177.425 176.300 0.011 0.000 1.398 460 D CA 0.352 54.347 54.000 -0.010 0.000 1.090 460 D CB 0.398 41.190 40.800 -0.013 0.000 1.108 460 D HN 0.477 nan 8.370 nan 0.000 0.532 461 M N 1.956 121.567 119.600 0.018 0.000 2.260 461 M HA -0.216 4.265 4.480 0.000 0.000 0.261 461 M C 2.197 178.511 176.300 0.022 0.000 1.066 461 M CA 0.757 56.074 55.300 0.027 0.000 1.082 461 M CB -1.200 31.422 32.600 0.036 0.000 1.388 461 M HN 0.445 nan 8.290 nan 0.000 0.419 462 C N 0.428 119.736 119.300 0.013 0.000 2.500 462 C HA -0.037 4.424 4.460 0.000 0.000 0.273 462 C C 2.257 177.251 174.990 0.008 0.000 1.428 462 C CA 0.634 59.658 59.018 0.010 0.000 1.766 462 C CB -0.874 26.871 27.740 0.008 0.000 1.817 462 C HN 0.554 nan 8.230 nan 0.000 0.543 463 E N -0.651 119.554 120.200 0.007 0.000 2.490 463 E HA 0.033 4.383 4.350 0.000 0.000 0.209 463 E C 1.408 178.015 176.600 0.010 0.000 0.971 463 E CA -0.106 56.298 56.400 0.006 0.000 0.988 463 E CB 0.094 29.795 29.700 0.002 0.000 1.029 463 E HN 0.621 nan 8.360 nan 0.000 0.496 464 N N 0.276 118.986 118.700 0.017 0.000 2.013 464 N HA -0.150 4.590 4.740 0.000 0.000 0.195 464 N C 1.283 176.805 175.510 0.019 0.000 1.051 464 N CA 1.742 54.806 53.050 0.023 0.000 0.851 464 N CB 0.057 38.567 38.487 0.039 0.000 1.044 464 N HN 0.228 nan 8.380 nan 0.000 0.422 465 G N -1.152 107.661 108.800 0.022 0.000 2.227 465 G HA2 -0.198 3.762 3.960 0.000 0.000 0.168 465 G HA3 -0.198 3.762 3.960 0.000 0.000 0.168 465 G C 0.154 175.070 174.900 0.026 0.000 1.006 465 G CA 0.169 45.282 45.100 0.020 0.000 0.684 465 G HN 0.351 nan 8.290 nan 0.000 0.489 466 V N 0.333 120.268 119.914 0.034 0.000 2.443 466 V HA 0.667 4.787 4.120 0.000 0.000 0.326 466 V C 0.642 176.755 176.094 0.031 0.000 1.580 466 V CA -0.660 61.664 62.300 0.039 0.000 1.629 466 V CB -0.018 31.839 31.823 0.057 0.000 1.471 466 V HN 0.449 nan 8.190 nan 0.000 0.532 467 V N 1.243 121.172 119.914 0.025 0.000 2.834 467 V HA 0.550 4.671 4.120 0.000 0.000 0.313 467 V C 0.323 176.427 176.094 0.017 0.000 1.060 467 V CA -0.845 61.468 62.300 0.022 0.000 0.989 467 V CB 1.600 33.435 31.823 0.020 0.000 1.041 467 V HN 0.749 nan 8.190 nan 0.000 0.459 468 E N 3.156 123.365 120.200 0.016 0.000 2.227 468 E HA 0.508 4.858 4.350 0.000 0.000 0.268 468 E C -2.711 173.895 176.600 0.010 0.000 0.990 468 E CA -2.104 54.302 56.400 0.011 0.000 0.856 468 E CB 1.025 30.730 29.700 0.008 0.000 1.159 468 E HN 0.452 nan 8.360 nan 0.000 0.401 469 P HA 0.058 nan 4.420 nan 0.000 0.276 469 P C 0.169 177.472 177.300 0.005 0.000 1.261 469 P CA -0.479 62.625 63.100 0.006 0.000 0.800 469 P CB 0.981 32.683 31.700 0.004 0.000 1.066 470 L N 0.150 121.375 121.223 0.004 0.000 2.529 470 L HA 0.050 4.390 4.340 0.000 0.000 0.223 470 L C 2.402 179.273 176.870 0.001 0.000 1.113 470 L CA 0.687 55.529 54.840 0.003 0.000 0.861 470 L CB -0.448 41.613 42.059 0.003 0.000 1.012 470 L HN 0.496 nan 8.230 nan 0.000 0.461 471 R N 0.727 121.228 120.500 0.001 0.000 2.151 471 R HA -0.162 4.179 4.340 0.000 0.000 0.220 471 R C 1.743 178.044 176.300 0.001 0.000 1.120 471 R CA 2.723 58.824 56.100 0.001 0.000 0.882 471 R CB -0.505 29.795 30.300 0.000 0.000 0.806 471 R HN 0.053 nan 8.270 nan 0.000 0.440 472 V N 0.498 120.412 119.914 0.001 0.000 0.667 472 V HA -0.482 3.638 4.120 0.000 0.000 0.092 472 V C 2.209 178.303 176.094 0.000 0.000 1.130 472 V CA 2.866 65.166 62.300 0.000 0.000 3.175 472 V CB -1.397 30.427 31.823 0.001 0.000 0.378 472 V HN 0.480 nan 8.190 nan 0.000 0.359 473 K N 0.252 120.652 120.400 -0.000 0.000 2.098 473 K HA -0.015 4.305 4.320 0.000 0.000 0.203 473 K C 2.385 178.986 176.600 0.001 0.000 1.051 473 K CA 1.789 58.075 56.287 -0.001 0.000 0.957 473 K CB -0.623 31.876 32.500 -0.002 0.000 0.738 473 K HN 0.974 nan 8.250 nan 0.000 0.447 474 T N -0.882 113.672 114.554 0.000 0.000 2.720 474 T HA -0.186 4.164 4.350 0.000 0.000 0.268 474 T C 1.962 176.665 174.700 0.004 0.000 1.037 474 T CA 1.299 63.399 62.100 0.000 0.000 1.144 474 T CB -0.066 68.800 68.868 -0.003 0.000 0.864 474 T HN -0.020 nan 8.240 nan 0.000 0.444 475 Q N 0.757 120.560 119.800 0.004 0.000 2.354 475 Q HA 0.465 4.805 4.340 0.000 0.000 0.203 475 Q C 2.266 178.272 176.000 0.010 0.000 0.933 475 Q CA 0.997 56.803 55.803 0.007 0.000 0.901 475 Q CB -0.567 28.173 28.738 0.004 0.000 1.007 475 Q HN 0.692 nan 8.270 nan 0.000 0.495 476 A N 0.462 123.287 122.820 0.008 0.000 1.872 476 A HA -0.078 4.242 4.320 0.000 0.000 0.214 476 A C 1.912 179.506 177.584 0.017 0.000 1.187 476 A CA 1.346 53.388 52.037 0.008 0.000 0.614 476 A CB -0.720 18.281 19.000 0.001 0.000 0.826 476 A HN 0.459 nan 8.150 nan 0.000 0.442 477 I N -0.103 120.481 120.570 0.023 0.000 2.179 477 I HA -0.328 3.842 4.170 0.000 0.000 0.242 477 I C 2.641 178.796 176.117 0.063 0.000 1.088 477 I CA 1.924 63.253 61.300 0.047 0.000 1.357 477 I CB -1.182 36.857 38.000 0.065 0.000 1.051 477 I HN 0.577 nan 8.210 nan 0.000 0.409 478 Q N 2.352 122.176 119.800 0.040 0.000 2.061 478 Q HA -0.115 4.225 4.340 0.000 0.000 0.195 478 Q C 2.350 178.375 176.000 0.041 0.000 0.967 478 Q CA 1.622 57.448 55.803 0.038 0.000 0.829 478 Q CB -0.760 27.988 28.738 0.017 0.000 0.900 478 Q HN 0.549 nan 8.270 nan 0.000 0.450 479 S N 1.453 117.171 115.700 0.030 0.000 2.409 479 S HA -0.308 4.162 4.470 0.000 0.000 0.237 479 S C 2.021 176.643 174.600 0.037 0.000 1.060 479 S CA 1.649 59.867 58.200 0.029 0.000 1.052 479 S CB -0.604 62.608 63.200 0.020 0.000 0.871 479 S HN 0.566 nan 8.310 nan 0.000 0.465 480 A N 1.758 124.605 122.820 0.045 0.000 1.871 480 A HA 0.654 4.974 4.320 0.000 0.000 0.211 480 A C 2.601 180.239 177.584 0.091 0.000 1.207 480 A CA 1.179 53.246 52.037 0.051 0.000 0.620 480 A CB -1.482 17.534 19.000 0.028 0.000 0.860 480 A HN 1.090 nan 8.150 nan 0.000 0.450 481 A N 0.171 123.079 122.820 0.147 0.000 2.042 481 A HA -0.233 4.087 4.320 0.000 0.000 0.222 481 A C 1.819 179.504 177.584 0.168 0.000 1.167 481 A CA 1.893 54.074 52.037 0.240 0.000 0.649 481 A CB -0.486 18.733 19.000 0.364 0.000 0.809 481 A HN 0.631 nan 8.150 nan 0.000 0.457 482 E N -0.886 119.376 120.200 0.103 0.000 2.340 482 E HA -0.041 4.309 4.350 0.000 0.000 0.194 482 E C 2.164 178.802 176.600 0.063 0.000 0.996 482 E CA 0.712 57.157 56.400 0.075 0.000 0.869 482 E CB -0.037 29.692 29.700 0.048 0.000 0.835 482 E HN 0.680 nan 8.360 nan 0.000 0.493 483 S N 1.535 117.272 115.700 0.061 0.000 2.329 483 S HA -0.117 4.353 4.470 0.000 0.000 0.215 483 S C 2.244 176.875 174.600 0.050 0.000 1.031 483 S CA 1.947 60.175 58.200 0.047 0.000 0.985 483 S CB -0.471 62.750 63.200 0.035 0.000 0.917 483 S HN 0.292 nan 8.310 nan 0.000 0.441 484 T N -0.184 114.409 114.554 0.065 0.000 3.160 484 T HA 0.137 4.487 4.350 0.000 0.000 0.257 484 T C 1.319 176.069 174.700 0.084 0.000 1.147 484 T CA 0.998 63.138 62.100 0.065 0.000 1.064 484 T CB -0.307 68.593 68.868 0.054 0.000 0.949 484 T HN 0.832 nan 8.240 nan 0.000 0.526 485 E N 0.385 120.642 120.200 0.095 0.000 2.389 485 E HA 0.132 4.483 4.350 0.000 0.000 0.199 485 E C 2.031 178.659 176.600 0.047 0.000 0.978 485 E CA -0.190 56.259 56.400 0.080 0.000 0.912 485 E CB -0.301 29.470 29.700 0.120 0.000 0.907 485 E HN 0.440 nan 8.360 nan 0.000 0.494 486 M N 1.957 121.582 119.600 0.042 0.000 3.424 486 M HA -0.315 4.166 4.480 0.000 0.000 0.284 486 M C 1.896 178.208 176.300 0.019 0.000 1.045 486 M CA 2.349 57.665 55.300 0.027 0.000 1.057 486 M CB -0.661 31.954 32.600 0.026 0.000 1.202 486 M HN 0.338 nan 8.290 nan 0.000 0.584 487 L N 0.094 121.328 121.223 0.017 0.000 2.293 487 L HA -0.331 4.009 4.340 0.000 0.000 0.230 487 L C 2.544 179.414 176.870 0.001 0.000 1.118 487 L CA 1.820 56.666 54.840 0.009 0.000 0.846 487 L CB -1.437 40.627 42.059 0.008 0.000 0.923 487 L HN 0.526 nan 8.230 nan 0.000 0.452 488 L N -0.959 120.269 121.223 0.008 0.000 2.240 488 L HA -0.042 4.298 4.340 0.000 0.000 0.211 488 L C 2.467 179.330 176.870 -0.012 0.000 1.106 488 L CA 1.210 56.047 54.840 -0.005 0.000 0.793 488 L CB -0.433 41.621 42.059 -0.007 0.000 0.927 488 L HN 0.154 nan 8.230 nan 0.000 0.446 489 R N 0.142 120.641 120.500 -0.002 0.000 1.931 489 R HA -0.131 4.209 4.340 0.000 0.000 0.124 489 R C 0.622 176.916 176.300 -0.011 0.000 0.579 489 R CA 0.776 56.876 56.100 -0.000 0.000 1.636 489 R CB -1.243 29.063 30.300 0.010 0.000 0.504 489 R HN 0.056 nan 8.270 nan 0.000 0.680 490 I N 3.424 123.989 120.570 -0.008 0.000 2.790 490 I HA -0.227 3.943 4.170 0.000 0.000 0.152 490 I C -0.052 176.049 176.117 -0.026 0.000 0.895 490 I CA 0.865 62.156 61.300 -0.016 0.000 2.734 490 I CB -0.520 37.471 38.000 -0.016 0.000 0.603 490 I HN 0.753 nan 8.210 nan 0.000 0.353 491 D N 4.471 124.855 120.400 -0.027 0.000 3.118 491 D HA 0.282 4.922 4.640 0.000 0.000 0.352 491 D C -0.652 175.635 176.300 -0.022 0.000 1.498 491 D CA -0.385 53.594 54.000 -0.035 0.000 0.759 491 D CB 0.377 41.140 40.800 -0.062 0.000 1.251 491 D HN 0.718 nan 8.370 nan 0.000 0.504 492 D N -0.651 119.743 120.400 -0.010 0.000 2.722 492 D HA 0.351 4.991 4.640 0.000 0.000 0.231 492 D C -1.858 174.447 176.300 0.009 0.000 1.218 492 D CA -0.600 53.403 54.000 0.006 0.000 0.753 492 D CB 1.952 42.749 40.800 -0.006 0.000 1.471 492 D HN -0.120 nan 8.370 nan 0.000 0.455 493 V N 3.297 123.228 119.914 0.028 0.000 2.439 493 V HA 0.396 4.516 4.120 0.000 0.000 0.277 493 V C -0.140 175.956 176.094 0.002 0.000 1.008 493 V CA -0.595 61.722 62.300 0.030 0.000 0.846 493 V CB 0.990 32.851 31.823 0.065 0.000 1.031 493 V HN 0.555 nan 8.190 nan 0.000 0.441 494 I N 4.085 124.646 120.570 -0.016 0.000 2.297 494 I HA 0.777 4.947 4.170 0.000 0.000 0.291 494 I C 0.555 176.661 176.117 -0.018 0.000 1.033 494 I CA -0.019 61.257 61.300 -0.039 0.000 1.253 494 I CB 1.204 39.182 38.000 -0.035 0.000 1.396 494 I HN 0.660 nan 8.210 nan 0.000 0.476 495 A N 5.431 128.236 122.820 -0.025 0.000 2.479 495 A HA 1.043 5.363 4.320 0.000 0.000 0.296 495 A C -0.649 176.936 177.584 0.001 0.000 1.121 495 A CA -0.402 51.644 52.037 0.015 0.000 0.743 495 A CB 1.999 21.040 19.000 0.069 0.000 1.323 495 A HN 1.163 nan 8.150 nan 0.000 0.415 496 A N 0.230 123.058 122.820 0.013 0.000 2.360 496 A HA 0.474 4.795 4.320 0.000 0.000 0.290 496 A C -0.380 177.217 177.584 0.021 0.000 0.839 496 A CA 0.027 52.072 52.037 0.014 0.000 0.632 496 A CB -0.832 18.170 19.000 0.004 0.000 1.121 496 A HN 1.840 nan 8.150 nan 0.000 0.346 497 E N 0.000 120.208 120.200 0.014 0.000 2.725 497 E HA 0.000 4.350 4.350 0.000 0.000 0.291 497 E CA 0.000 56.406 56.400 0.010 0.000 0.976 497 E CB 0.000 29.704 29.700 0.006 0.000 0.812 497 E HN 0.000 nan 8.360 nan 0.000 0.440