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_I 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 -0.016 0.000 1.182 7 V CA 0.000 62.288 62.300 -0.020 0.000 1.235 7 V CB 0.000 31.813 31.823 -0.017 0.000 1.184 8 L N 0.792 122.005 121.223 -0.017 0.000 2.827 8 L HA -0.077 4.263 4.340 0.000 0.000 0.474 8 L C -2.104 174.756 176.870 -0.015 0.000 1.003 8 L CA -0.556 54.273 54.840 -0.018 0.000 1.187 8 L CB -1.587 40.456 42.059 -0.026 0.000 0.837 8 L HN 0.751 nan 8.230 nan 0.000 0.580 9 P HA -0.052 nan 4.420 nan 0.000 0.269 9 P C 0.360 177.654 177.300 -0.010 0.000 1.185 9 P CA 0.165 63.258 63.100 -0.010 0.000 0.769 9 P CB 0.402 32.097 31.700 -0.008 0.000 0.809 10 E N 2.087 122.282 120.200 -0.007 0.000 2.901 10 E HA -0.197 4.153 4.350 0.000 0.000 0.284 10 E C 0.377 176.974 176.600 -0.005 0.000 1.473 10 E CA 0.283 56.680 56.400 -0.006 0.000 1.292 10 E CB -0.538 29.160 29.700 -0.004 0.000 1.013 10 E HN 0.496 nan 8.360 nan 0.000 0.654 11 N N -2.102 116.597 118.700 -0.002 0.000 2.696 11 N HA -0.304 4.436 4.740 0.000 0.000 0.241 11 N C -0.179 175.330 175.510 -0.002 0.000 1.107 11 N CA 1.695 54.746 53.050 0.003 0.000 0.932 11 N CB -1.248 37.245 38.487 0.010 0.000 1.163 11 N HN 0.405 nan 8.380 nan 0.000 0.595 12 M N 1.180 120.772 119.600 -0.014 0.000 2.069 12 M HA 0.201 4.681 4.480 0.000 0.000 0.349 12 M C -0.332 175.935 176.300 -0.056 0.000 1.194 12 M CA -0.181 55.103 55.300 -0.027 0.000 1.081 12 M CB 0.809 33.391 32.600 -0.030 0.000 1.500 12 M HN 0.000 nan 8.290 nan 0.000 0.438 13 K N 2.488 122.840 120.400 -0.081 0.000 2.380 13 K HA 0.228 4.548 4.320 0.000 0.000 0.267 13 K C -0.203 176.227 176.600 -0.283 0.000 0.990 13 K CA 0.140 56.310 56.287 -0.194 0.000 0.946 13 K CB 0.604 32.993 32.500 -0.186 0.000 0.937 13 K HN 0.479 nan 8.250 nan 0.000 0.491 14 R N 2.338 122.592 120.500 -0.410 0.000 2.483 14 R HA 0.232 4.572 4.340 0.000 0.000 0.303 14 R C -1.681 174.368 176.300 -0.419 0.000 0.987 14 R CA -0.440 55.477 56.100 -0.304 0.000 0.881 14 R CB 0.648 30.860 30.300 -0.146 0.000 1.177 14 R HN 0.501 nan 8.270 nan 0.000 0.451 15 Y N 5.051 125.364 120.300 0.022 0.000 2.377 15 Y HA 0.553 5.103 4.550 -0.000 0.000 0.339 15 Y C 0.168 176.080 175.900 0.020 0.000 1.011 15 Y CA -1.098 57.015 58.100 0.022 0.000 1.093 15 Y CB 1.893 40.371 38.460 0.030 0.000 1.201 15 Y HN 0.452 nan 8.280 nan 0.000 0.455 16 M N 1.475 121.179 119.600 0.173 0.000 2.294 16 M HA 0.801 5.281 4.480 0.000 0.000 0.280 16 M C -0.196 176.158 176.300 0.090 0.000 1.085 16 M CA -0.328 55.032 55.300 0.100 0.000 0.969 16 M CB 2.096 34.734 32.600 0.064 0.000 1.770 16 M HN 0.888 nan 8.290 nan 0.000 0.485 17 G N 2.805 111.643 108.800 0.064 0.000 2.520 17 G HA2 -0.265 3.695 3.960 0.000 0.000 0.248 17 G HA3 -0.265 3.695 3.960 0.000 0.000 0.248 17 G C 0.477 175.397 174.900 0.033 0.000 1.161 17 G CA 0.555 45.683 45.100 0.047 0.000 0.946 17 G HN 1.192 nan 8.290 nan 0.000 0.565 18 R N 1.551 122.066 120.500 0.025 0.000 2.097 18 R HA -0.186 4.154 4.340 0.000 0.000 0.236 18 R C 2.190 178.489 176.300 -0.001 0.000 1.135 18 R CA 3.281 59.386 56.100 0.008 0.000 0.934 18 R CB -1.655 28.644 30.300 -0.003 0.000 0.846 18 R HN 0.674 nan 8.270 nan 0.000 0.431 19 D N 1.296 121.712 120.400 0.026 0.000 2.723 19 D HA -0.302 4.338 4.640 0.000 0.000 0.208 19 D C 1.867 178.144 176.300 -0.038 0.000 1.050 19 D CA 2.600 56.614 54.000 0.024 0.000 0.893 19 D CB -1.087 39.844 40.800 0.219 0.000 1.062 19 D HN 0.511 nan 8.370 nan 0.000 0.478 20 A N -0.065 122.796 122.820 0.069 0.000 1.972 20 A HA -0.244 4.076 4.320 0.000 0.000 0.219 20 A C 2.227 179.818 177.584 0.012 0.000 1.169 20 A CA 2.118 54.197 52.037 0.071 0.000 0.635 20 A CB -0.665 18.393 19.000 0.097 0.000 0.810 20 A HN 0.353 nan 8.150 nan 0.000 0.446 21 Q N -1.179 118.619 119.800 -0.004 0.000 2.096 21 Q HA -0.085 4.256 4.340 0.000 0.000 0.197 21 Q C 2.363 178.344 176.000 -0.031 0.000 0.964 21 Q CA 1.146 56.941 55.803 -0.014 0.000 0.838 21 Q CB -0.152 28.575 28.738 -0.019 0.000 0.906 21 Q HN 0.713 nan 8.270 nan 0.000 0.444 22 R N 0.392 120.860 120.500 -0.054 0.000 2.152 22 R HA -0.099 4.241 4.340 0.000 0.000 0.232 22 R C 1.830 178.063 176.300 -0.112 0.000 1.117 22 R CA 1.202 57.254 56.100 -0.080 0.000 0.981 22 R CB -0.070 30.174 30.300 -0.094 0.000 0.870 22 R HN 0.300 nan 8.270 nan 0.000 0.451 23 M N 0.174 119.696 119.600 -0.130 0.000 2.236 23 M HA -0.064 4.416 4.480 0.000 0.000 0.266 23 M C 1.443 177.741 176.300 -0.003 0.000 1.070 23 M CA 1.548 56.763 55.300 -0.142 0.000 1.137 23 M CB -0.130 32.385 32.600 -0.140 0.000 1.378 23 M HN 0.337 nan 8.290 nan 0.000 0.426 24 N N -0.142 118.588 118.700 0.050 0.000 2.415 24 N HA 0.029 4.769 4.740 0.000 0.000 0.176 24 N C 1.530 177.065 175.510 0.041 0.000 1.042 24 N CA 0.209 53.318 53.050 0.098 0.000 0.902 24 N CB 0.398 38.923 38.487 0.062 0.000 0.986 24 N HN 0.128 nan 8.380 nan 0.000 0.447 25 I N 1.215 121.783 120.570 -0.002 0.000 2.090 25 I HA -0.256 3.914 4.170 0.000 0.000 0.236 25 I C 2.144 178.246 176.117 -0.024 0.000 1.064 25 I CA 1.127 62.416 61.300 -0.018 0.000 1.324 25 I CB -0.099 37.881 38.000 -0.032 0.000 1.044 25 I HN 0.124 nan 8.210 nan 0.000 0.399 26 L N -0.186 121.006 121.223 -0.052 0.000 2.131 26 L HA -0.227 4.114 4.340 0.000 0.000 0.210 26 L C 2.522 179.356 176.870 -0.060 0.000 1.092 26 L CA 1.335 56.132 54.840 -0.071 0.000 0.759 26 L CB -0.355 41.632 42.059 -0.121 0.000 0.903 26 L HN 0.323 nan 8.230 nan 0.000 0.435 27 A N -0.466 122.327 122.820 -0.045 0.000 1.873 27 A HA -0.093 4.227 4.320 0.000 0.000 0.215 27 A C 2.286 179.889 177.584 0.031 0.000 1.186 27 A CA 1.522 53.574 52.037 0.026 0.000 0.616 27 A CB -1.202 17.961 19.000 0.272 0.000 0.823 27 A HN 0.463 nan 8.150 nan 0.000 0.442 28 G N -0.410 108.406 108.800 0.026 0.000 2.434 28 G HA2 -0.208 3.752 3.960 0.000 0.000 0.214 28 G HA3 -0.208 3.752 3.960 0.000 0.000 0.214 28 G C 1.653 176.550 174.900 -0.004 0.000 1.202 28 G CA 0.935 46.042 45.100 0.012 0.000 0.788 28 G HN 0.544 nan 8.290 nan 0.000 0.539 29 R N 0.216 120.708 120.500 -0.013 0.000 2.189 29 R HA -0.216 4.124 4.340 0.000 0.000 0.252 29 R C 2.546 178.835 176.300 -0.018 0.000 1.134 29 R CA 2.193 58.282 56.100 -0.019 0.000 0.954 29 R CB -0.660 29.626 30.300 -0.024 0.000 0.890 29 R HN 0.495 nan 8.270 nan 0.000 0.443 30 I N 1.106 121.665 120.570 -0.018 0.000 2.333 30 I HA -0.187 3.983 4.170 0.000 0.000 0.246 30 I C 2.475 178.585 176.117 -0.012 0.000 1.106 30 I CA 0.760 62.049 61.300 -0.018 0.000 1.411 30 I CB -0.695 37.292 38.000 -0.020 0.000 1.082 30 I HN 0.212 nan 8.210 nan 0.000 0.420 31 I N 1.328 121.895 120.570 -0.006 0.000 2.141 31 I HA -0.408 3.763 4.170 0.000 0.000 0.243 31 I C 2.573 178.685 176.117 -0.008 0.000 1.035 31 I CA 2.477 63.776 61.300 -0.003 0.000 1.302 31 I CB -1.274 36.727 38.000 0.001 0.000 1.006 31 I HN 0.223 nan 8.210 nan 0.000 0.413 32 A N 1.425 124.238 122.820 -0.012 0.000 1.855 32 A HA -0.132 4.188 4.320 0.000 0.000 0.213 32 A C 2.094 179.667 177.584 -0.018 0.000 1.195 32 A CA 1.395 53.422 52.037 -0.017 0.000 0.610 32 A CB -0.835 18.153 19.000 -0.020 0.000 0.837 32 A HN 0.669 nan 8.150 nan 0.000 0.444 33 E N -0.109 120.080 120.200 -0.018 0.000 2.246 33 E HA -0.316 4.034 4.350 0.000 0.000 0.232 33 E C 1.907 178.498 176.600 -0.015 0.000 1.087 33 E CA 2.251 58.641 56.400 -0.017 0.000 0.964 33 E CB -1.251 28.438 29.700 -0.017 0.000 0.827 33 E HN 0.594 nan 8.360 nan 0.000 0.476 34 T N 0.950 115.496 114.554 -0.013 0.000 2.597 34 T HA -0.231 4.120 4.350 0.000 0.000 0.267 34 T C 2.033 176.727 174.700 -0.011 0.000 1.053 34 T CA 1.750 63.844 62.100 -0.011 0.000 1.165 34 T CB -0.661 68.202 68.868 -0.008 0.000 0.863 34 T HN 0.184 nan 8.240 nan 0.000 0.427 35 V N 2.582 122.488 119.914 -0.013 0.000 2.548 35 V HA -0.126 3.995 4.120 0.000 0.000 0.249 35 V C 2.529 178.613 176.094 -0.016 0.000 1.055 35 V CA 2.005 64.296 62.300 -0.014 0.000 1.065 35 V CB -0.483 31.333 31.823 -0.012 0.000 0.681 35 V HN 0.619 nan 8.190 nan 0.000 0.462 36 R N 0.428 120.917 120.500 -0.018 0.000 2.112 36 R HA 0.074 4.414 4.340 0.000 0.000 0.216 36 R C 1.920 178.207 176.300 -0.021 0.000 1.080 36 R CA 1.225 57.312 56.100 -0.022 0.000 0.996 36 R CB -0.992 29.295 30.300 -0.022 0.000 0.902 36 R HN 0.509 nan 8.270 nan 0.000 0.449 37 S N 0.940 116.629 115.700 -0.019 0.000 2.723 37 S HA -0.097 4.373 4.470 0.000 0.000 0.231 37 S C 1.444 176.035 174.600 -0.016 0.000 0.967 37 S CA 0.909 59.099 58.200 -0.017 0.000 0.958 37 S CB -0.150 63.042 63.200 -0.015 0.000 0.778 37 S HN 0.643 nan 8.310 nan 0.000 0.537 38 T N -0.715 113.829 114.554 -0.016 0.000 3.033 38 T HA 0.237 4.587 4.350 0.000 0.000 0.248 38 T C 0.648 175.338 174.700 -0.017 0.000 1.040 38 T CA -0.303 61.788 62.100 -0.015 0.000 1.133 38 T CB -0.395 68.466 68.868 -0.012 0.000 0.895 38 T HN 0.254 nan 8.240 nan 0.000 0.465 39 L N 2.337 123.548 121.223 -0.021 0.000 2.475 39 L HA 0.578 4.918 4.340 0.000 0.000 0.250 39 L C 0.889 177.743 176.870 -0.027 0.000 1.224 39 L CA 1.461 56.288 54.840 -0.022 0.000 0.821 39 L CB -0.204 41.840 42.059 -0.024 0.000 1.141 39 L HN 0.872 nan 8.230 nan 0.000 0.494 40 G N 1.576 110.358 108.800 -0.029 0.000 2.787 40 G HA2 -0.155 3.805 3.960 0.000 0.000 0.685 40 G HA3 -0.155 3.805 3.960 0.000 0.000 0.685 40 G C -1.671 173.206 174.900 -0.039 0.000 1.437 40 G CA -0.380 44.696 45.100 -0.040 0.000 0.872 40 G HN 0.689 nan 8.290 nan 0.000 0.566 41 P HA -0.179 nan 4.420 nan 0.000 0.219 41 P C 1.297 178.569 177.300 -0.047 0.000 1.158 41 P CA 1.898 64.957 63.100 -0.069 0.000 0.895 41 P CB 0.037 31.647 31.700 -0.150 0.000 0.792 42 K N -0.605 119.764 120.400 -0.053 0.000 2.397 42 K HA 0.273 4.594 4.320 0.000 0.000 0.202 42 K C 1.146 177.732 176.600 -0.024 0.000 1.022 42 K CA 0.010 56.273 56.287 -0.039 0.000 1.141 42 K CB 0.207 32.678 32.500 -0.049 0.000 0.857 42 K HN 0.153 nan 8.250 nan 0.000 0.514 43 G N 0.246 109.034 108.800 -0.021 0.000 2.531 43 G HA2 0.568 4.528 3.960 0.000 0.000 0.313 43 G HA3 0.568 4.528 3.960 0.000 0.000 0.313 43 G C -0.481 174.414 174.900 -0.008 0.000 1.238 43 G CA -0.375 44.716 45.100 -0.016 0.000 0.994 43 G HN -0.042 nan 8.290 nan 0.000 0.493 44 M N 0.433 120.029 119.600 -0.006 0.000 2.378 44 M HA 0.269 4.749 4.480 0.000 0.000 0.289 44 M C -1.041 175.258 176.300 -0.001 0.000 1.136 44 M CA -0.777 54.522 55.300 -0.002 0.000 0.917 44 M CB 2.044 34.642 32.600 -0.003 0.000 1.669 44 M HN 0.477 nan 8.290 nan 0.000 0.461 45 D N 2.568 122.970 120.400 0.003 0.000 2.278 45 D HA 0.142 4.782 4.640 0.000 0.000 0.234 45 D C -0.290 176.012 176.300 0.003 0.000 1.344 45 D CA 0.848 54.851 54.000 0.005 0.000 0.892 45 D CB 0.539 41.344 40.800 0.010 0.000 1.204 45 D HN 0.311 nan 8.370 nan 0.000 0.489 46 K N -0.377 120.026 120.400 0.005 0.000 2.543 46 K HA 0.331 4.652 4.320 0.000 0.000 0.255 46 K C -0.959 175.644 176.600 0.005 0.000 0.934 46 K CA -0.565 55.724 56.287 0.003 0.000 0.810 46 K CB 2.154 34.655 32.500 0.000 0.000 1.315 46 K HN 0.292 nan 8.250 nan 0.000 0.433 47 M N 4.939 124.541 119.600 0.005 0.000 2.480 47 M HA 0.200 4.680 4.480 0.000 0.000 0.320 47 M C -1.220 175.083 176.300 0.005 0.000 1.141 47 M CA -0.975 54.329 55.300 0.006 0.000 1.102 47 M CB 0.177 32.781 32.600 0.006 0.000 1.249 47 M HN 0.389 nan 8.290 nan 0.000 0.446 48 L N 3.225 124.451 121.223 0.005 0.000 2.476 48 L HA 0.518 4.858 4.340 0.000 0.000 0.264 48 L C 0.025 176.898 176.870 0.005 0.000 1.224 48 L CA -0.127 54.716 54.840 0.005 0.000 0.821 48 L CB 0.763 42.825 42.059 0.005 0.000 1.101 48 L HN 0.410 nan 8.230 nan 0.000 0.488 49 V N -0.290 119.627 119.914 0.005 0.000 3.178 49 V HA 0.536 4.657 4.120 0.000 0.000 0.302 49 V C -0.909 175.188 176.094 0.005 0.000 1.262 49 V CA -1.065 61.238 62.300 0.005 0.000 1.030 49 V CB 2.417 34.243 31.823 0.004 0.000 1.074 49 V HN 0.909 nan 8.190 nan 0.000 0.438 50 D N -0.121 120.282 120.400 0.005 0.000 2.585 50 D HA 0.285 4.925 4.640 0.000 0.000 0.254 50 D C 0.004 176.307 176.300 0.005 0.000 1.067 50 D CA -0.495 53.508 54.000 0.005 0.000 1.090 50 D CB 1.409 42.212 40.800 0.005 0.000 1.408 50 D HN 0.429 nan 8.370 nan 0.000 0.554 51 D N -0.114 120.289 120.400 0.005 0.000 2.354 51 D HA -0.068 4.573 4.640 0.000 0.000 0.216 51 D C 1.860 178.163 176.300 0.004 0.000 0.970 51 D CA 0.643 54.646 54.000 0.005 0.000 0.905 51 D CB 0.129 40.932 40.800 0.005 0.000 0.903 51 D HN 0.355 nan 8.370 nan 0.000 0.508 52 L N -0.441 120.784 121.223 0.004 0.000 2.270 52 L HA 0.126 4.466 4.340 0.000 0.000 0.210 52 L C 1.796 178.669 176.870 0.004 0.000 1.104 52 L CA 0.696 55.538 54.840 0.004 0.000 0.804 52 L CB -0.377 41.685 42.059 0.004 0.000 0.937 52 L HN 0.142 nan 8.230 nan 0.000 0.450 53 G N 0.163 108.966 108.800 0.004 0.000 2.132 53 G HA2 -0.253 3.708 3.960 0.000 0.000 0.234 53 G HA3 -0.253 3.708 3.960 0.000 0.000 0.234 53 G C 0.011 174.914 174.900 0.004 0.000 0.989 53 G CA 0.112 45.215 45.100 0.004 0.000 0.676 53 G HN 0.314 nan 8.290 nan 0.000 0.522 54 D N 0.287 120.690 120.400 0.005 0.000 2.423 54 D HA 0.389 5.029 4.640 0.000 0.000 0.238 54 D C 0.906 177.210 176.300 0.006 0.000 1.142 54 D CA 0.885 54.889 54.000 0.006 0.000 0.884 54 D CB 1.362 42.166 40.800 0.006 0.000 1.199 54 D HN 0.964 nan 8.370 nan 0.000 0.438 55 V N 1.290 121.208 119.914 0.007 0.000 2.448 55 V HA 0.729 4.850 4.120 0.000 0.000 0.295 55 V C -0.345 175.755 176.094 0.010 0.000 1.025 55 V CA -0.847 61.457 62.300 0.008 0.000 0.859 55 V CB 1.381 33.207 31.823 0.006 0.000 0.988 55 V HN 0.361 nan 8.190 nan 0.000 0.431 56 V N 2.812 122.732 119.914 0.011 0.000 2.697 56 V HA 0.799 4.919 4.120 0.000 0.000 0.300 56 V C -0.629 175.474 176.094 0.015 0.000 1.115 56 V CA -0.524 61.784 62.300 0.015 0.000 0.912 56 V CB 1.351 33.181 31.823 0.012 0.000 1.024 56 V HN 1.001 nan 8.190 nan 0.000 0.431 57 V N 2.936 122.863 119.914 0.020 0.000 2.378 57 V HA 0.966 5.086 4.120 0.000 0.000 0.288 57 V C 0.304 176.411 176.094 0.020 0.000 1.016 57 V CA 0.225 62.536 62.300 0.019 0.000 0.840 57 V CB 0.691 32.530 31.823 0.028 0.000 0.994 57 V HN 1.273 nan 8.190 nan 0.000 0.431 58 T N -0.227 114.334 114.554 0.013 0.000 2.786 58 T HA 0.387 4.737 4.350 0.000 0.000 0.316 58 T C 0.082 174.783 174.700 0.002 0.000 1.503 58 T CA -0.565 61.540 62.100 0.008 0.000 1.019 58 T CB 2.372 71.243 68.868 0.005 0.000 1.415 58 T HN 0.403 nan 8.240 nan 0.000 0.496 59 N N -0.086 118.614 118.700 -0.001 0.000 2.513 59 N HA 0.032 4.773 4.740 0.000 0.000 0.196 59 N C -0.390 175.115 175.510 -0.008 0.000 1.041 59 N CA 0.301 53.348 53.050 -0.004 0.000 0.916 59 N CB -0.044 38.441 38.487 -0.004 0.000 1.172 59 N HN 0.697 nan 8.380 nan 0.000 0.444 60 D N 0.436 120.830 120.400 -0.011 0.000 2.662 60 D HA 0.007 4.648 4.640 0.000 0.000 0.237 60 D C 1.170 177.463 176.300 -0.010 0.000 1.154 60 D CA 0.392 54.385 54.000 -0.013 0.000 0.861 60 D CB 0.678 41.468 40.800 -0.016 0.000 1.146 60 D HN 0.427 nan 8.370 nan 0.000 0.518 61 G N 2.393 111.187 108.800 -0.011 0.000 2.418 61 G HA2 -0.242 3.718 3.960 0.000 0.000 0.217 61 G HA3 -0.242 3.718 3.960 0.000 0.000 0.217 61 G C 1.706 176.601 174.900 -0.008 0.000 1.158 61 G CA 0.616 45.711 45.100 -0.009 0.000 0.771 61 G HN 0.481 nan 8.290 nan 0.000 0.545 62 V N 0.580 120.489 119.914 -0.008 0.000 2.226 62 V HA -0.286 3.834 4.120 0.000 0.000 0.254 62 V C 2.938 179.029 176.094 -0.005 0.000 1.065 62 V CA 3.189 65.485 62.300 -0.007 0.000 1.039 62 V CB -0.759 31.060 31.823 -0.008 0.000 0.653 62 V HN 0.414 nan 8.190 nan 0.000 0.450 63 T N -0.418 114.132 114.554 -0.006 0.000 2.951 63 T HA -0.007 4.344 4.350 0.000 0.000 0.268 63 T C 1.593 176.292 174.700 -0.002 0.000 1.073 63 T CA 1.284 63.382 62.100 -0.004 0.000 1.134 63 T CB -0.327 68.538 68.868 -0.005 0.000 0.884 63 T HN 0.484 nan 8.240 nan 0.000 0.479 64 I N 1.015 121.584 120.570 -0.003 0.000 2.074 64 I HA -0.244 3.927 4.170 0.000 0.000 0.238 64 I C 1.948 178.065 176.117 -0.000 0.000 1.037 64 I CA 1.330 62.629 61.300 -0.002 0.000 1.301 64 I CB -0.321 37.677 38.000 -0.003 0.000 1.016 64 I HN 0.227 nan 8.210 nan 0.000 0.400 65 L N -0.517 120.705 121.223 -0.001 0.000 2.354 65 L HA 0.060 4.400 4.340 0.000 0.000 0.212 65 L C 2.280 179.151 176.870 0.002 0.000 1.091 65 L CA 0.996 55.837 54.840 0.001 0.000 0.828 65 L CB -1.436 40.623 42.059 0.000 0.000 0.973 65 L HN 0.238 nan 8.230 nan 0.000 0.461 66 R N 0.489 120.990 120.500 0.001 0.000 2.271 66 R HA -0.280 4.060 4.340 0.000 0.000 0.235 66 R C 2.059 178.360 176.300 0.002 0.000 1.112 66 R CA 2.523 58.624 56.100 0.001 0.000 0.886 66 R CB 0.031 30.331 30.300 -0.001 0.000 0.934 66 R HN 0.284 nan 8.270 nan 0.000 0.420 67 E N 0.003 120.204 120.200 0.002 0.000 2.076 67 E HA -0.114 4.236 4.350 0.000 0.000 0.190 67 E C 1.322 177.925 176.600 0.004 0.000 0.979 67 E CA 0.534 56.936 56.400 0.003 0.000 0.807 67 E CB -0.207 29.496 29.700 0.004 0.000 0.761 67 E HN 0.268 nan 8.360 nan 0.000 0.454 68 M N 2.237 121.840 119.600 0.004 0.000 3.715 68 M HA -0.089 4.391 4.480 0.000 0.000 0.153 68 M C 0.645 176.950 176.300 0.008 0.000 1.764 68 M CA 0.183 55.486 55.300 0.006 0.000 1.803 68 M CB -1.371 31.232 32.600 0.005 0.000 1.383 68 M HN -0.060 nan 8.290 nan 0.000 0.477 69 S N -0.358 115.346 115.700 0.008 0.000 3.186 69 S HA -0.155 4.315 4.470 0.000 0.000 0.297 69 S C 0.676 175.285 174.600 0.015 0.000 0.538 69 S CA 0.376 58.583 58.200 0.010 0.000 1.302 69 S CB -1.469 61.737 63.200 0.010 0.000 0.694 69 S HN 0.690 nan 8.310 nan 0.000 0.311 70 V N 0.090 120.015 119.914 0.018 0.000 2.862 70 V HA -0.293 3.827 4.120 0.000 0.000 0.165 70 V C 1.250 177.366 176.094 0.037 0.000 2.516 70 V CA 2.043 64.360 62.300 0.027 0.000 2.163 70 V CB 0.024 31.863 31.823 0.027 0.000 1.005 70 V HN 0.909 nan 8.190 nan 0.000 0.480 71 E N 2.690 122.926 120.200 0.061 0.000 2.378 71 E HA 0.041 4.391 4.350 0.000 0.000 0.200 71 E C 0.459 177.131 176.600 0.120 0.000 0.882 71 E CA 0.192 56.640 56.400 0.080 0.000 1.061 71 E CB 0.238 29.979 29.700 0.069 0.000 1.049 71 E HN 0.887 nan 8.360 nan 0.000 0.494 72 H N 1.697 120.770 119.070 0.006 0.000 2.668 72 H HA 0.242 4.798 4.556 0.001 0.000 0.303 72 H C -2.033 173.300 175.328 0.008 0.000 1.074 72 H CA -2.132 53.921 56.048 0.008 0.000 1.406 72 H CB 1.921 31.683 29.762 -0.001 0.000 1.442 72 H HN 0.032 nan 8.280 nan 0.000 0.482 73 P HA 0.008 nan 4.420 nan 0.000 0.233 73 P C 0.694 177.912 177.300 -0.135 0.000 1.167 73 P CA 1.037 64.050 63.100 -0.145 0.000 0.770 73 P CB 0.364 31.985 31.700 -0.131 0.000 0.837 74 A N 0.920 123.610 122.820 -0.217 0.000 1.832 74 A HA -0.086 4.234 4.320 0.000 0.000 0.214 74 A C 2.312 179.882 177.584 -0.024 0.000 1.200 74 A CA 1.957 53.919 52.037 -0.124 0.000 0.610 74 A CB -1.694 17.208 19.000 -0.164 0.000 0.842 74 A HN 0.154 nan 8.150 nan 0.000 0.444 75 A N -0.514 122.326 122.820 0.034 0.000 2.054 75 A HA -0.296 4.024 4.320 0.000 0.000 0.225 75 A C 1.920 179.514 177.584 0.017 0.000 1.209 75 A CA 2.370 54.439 52.037 0.053 0.000 0.678 75 A CB -0.468 18.598 19.000 0.110 0.000 0.823 75 A HN 0.458 nan 8.150 nan 0.000 0.484 76 K N -1.657 118.738 120.400 -0.007 0.000 2.379 76 K HA 0.248 4.569 4.320 0.000 0.000 0.194 76 K C 1.529 178.123 176.600 -0.010 0.000 1.031 76 K CA 0.494 56.776 56.287 -0.007 0.000 1.037 76 K CB -0.133 32.357 32.500 -0.017 0.000 0.824 76 K HN 0.602 nan 8.250 nan 0.000 0.516 77 M N 0.347 119.938 119.600 -0.015 0.000 2.632 77 M HA -0.038 4.442 4.480 0.000 0.000 0.256 77 M C 1.419 177.717 176.300 -0.004 0.000 1.080 77 M CA 0.936 56.229 55.300 -0.012 0.000 1.084 77 M CB 0.098 32.689 32.600 -0.015 0.000 1.439 77 M HN -0.002 nan 8.290 nan 0.000 0.509 78 L N -1.691 119.532 121.223 -0.001 0.000 2.672 78 L HA 0.135 4.475 4.340 0.000 0.000 0.236 78 L C 1.537 178.407 176.870 -0.000 0.000 1.092 78 L CA 0.002 54.843 54.840 0.001 0.000 0.887 78 L CB 0.357 42.418 42.059 0.003 0.000 1.168 78 L HN 0.185 nan 8.230 nan 0.000 0.502 79 I N -0.735 119.835 120.570 -0.000 0.000 3.427 79 I HA -0.031 4.140 4.170 0.000 0.000 0.288 79 I C 1.896 178.012 176.117 -0.002 0.000 1.249 79 I CA 1.136 62.435 61.300 -0.001 0.000 1.421 79 I CB -0.004 37.997 38.000 0.000 0.000 1.086 79 I HN 0.163 nan 8.210 nan 0.000 0.448 80 E N -0.036 120.162 120.200 -0.002 0.000 2.209 80 E HA -0.181 4.169 4.350 0.000 0.000 0.196 80 E C 1.991 178.590 176.600 -0.001 0.000 0.993 80 E CA 1.704 58.103 56.400 -0.002 0.000 0.819 80 E CB -0.104 29.595 29.700 -0.002 0.000 0.745 80 E HN 0.481 nan 8.360 nan 0.000 0.477 81 V N -0.354 119.559 119.914 -0.001 0.000 3.174 81 V HA 0.103 4.223 4.120 0.000 0.000 0.254 81 V C 1.888 177.981 176.094 -0.002 0.000 1.120 81 V CA 1.106 63.406 62.300 -0.000 0.000 1.114 81 V CB 0.080 31.904 31.823 0.001 0.000 0.756 81 V HN 0.231 nan 8.190 nan 0.000 0.467 82 A N -0.202 122.616 122.820 -0.004 0.000 2.238 82 A HA 0.108 4.428 4.320 0.000 0.000 0.210 82 A C 2.194 179.775 177.584 -0.005 0.000 1.179 82 A CA 0.731 52.765 52.037 -0.005 0.000 0.827 82 A CB -0.123 18.873 19.000 -0.006 0.000 0.856 82 A HN 0.424 nan 8.150 nan 0.000 0.488 83 K N -0.390 120.008 120.400 -0.004 0.000 2.078 83 K HA -0.061 4.260 4.320 0.000 0.000 0.203 83 K C 1.824 178.422 176.600 -0.004 0.000 1.043 83 K CA 1.530 57.815 56.287 -0.004 0.000 0.960 83 K CB -0.243 32.255 32.500 -0.003 0.000 0.761 83 K HN 0.339 nan 8.250 nan 0.000 0.448 84 T N 1.448 116.001 114.554 -0.002 0.000 2.624 84 T HA -0.250 4.100 4.350 0.000 0.000 0.268 84 T C 1.848 176.546 174.700 -0.002 0.000 1.041 84 T CA 2.009 64.108 62.100 -0.002 0.000 1.159 84 T CB -0.294 68.574 68.868 0.000 0.000 0.863 84 T HN 0.343 nan 8.240 nan 0.000 0.434 85 Q N 0.447 120.245 119.800 -0.003 0.000 2.167 85 Q HA -0.095 4.245 4.340 0.000 0.000 0.202 85 Q C 2.293 178.290 176.000 -0.006 0.000 0.970 85 Q CA 1.177 56.978 55.803 -0.004 0.000 0.855 85 Q CB -0.076 28.660 28.738 -0.004 0.000 0.911 85 Q HN 0.361 nan 8.270 nan 0.000 0.438 86 E N 0.324 120.520 120.200 -0.007 0.000 2.158 86 E HA -0.141 4.210 4.350 0.000 0.000 0.191 86 E C 1.322 177.917 176.600 -0.008 0.000 0.982 86 E CA 0.836 57.231 56.400 -0.008 0.000 0.823 86 E CB 0.173 29.867 29.700 -0.010 0.000 0.766 86 E HN 0.293 nan 8.360 nan 0.000 0.468 87 K N 0.705 121.101 120.400 -0.006 0.000 2.283 87 K HA -0.125 4.196 4.320 0.000 0.000 0.202 87 K C 1.969 178.566 176.600 -0.006 0.000 1.048 87 K CA 1.307 57.591 56.287 -0.006 0.000 0.948 87 K CB 0.133 32.630 32.500 -0.005 0.000 0.742 87 K HN 0.292 nan 8.250 nan 0.000 0.458 88 E N -0.139 120.058 120.200 -0.005 0.000 2.156 88 E HA -0.067 4.283 4.350 0.000 0.000 0.225 88 E C 1.930 178.527 176.600 -0.006 0.000 0.906 88 E CA 0.593 56.990 56.400 -0.005 0.000 0.988 88 E CB -0.609 29.089 29.700 -0.004 0.000 1.151 88 E HN 0.003 nan 8.360 nan 0.000 0.504 89 V N -0.194 119.716 119.914 -0.006 0.000 2.575 89 V HA 0.236 4.356 4.120 0.000 0.000 0.242 89 V C 1.284 177.373 176.094 -0.008 0.000 1.045 89 V CA 2.042 64.338 62.300 -0.006 0.000 1.065 89 V CB 0.259 32.079 31.823 -0.005 0.000 0.717 89 V HN 0.808 nan 8.190 nan 0.000 0.467 90 G N -0.344 108.451 108.800 -0.009 0.000 2.083 90 G HA2 -0.150 3.810 3.960 0.000 0.000 0.199 90 G HA3 -0.150 3.810 3.960 0.000 0.000 0.199 90 G C -0.455 174.438 174.900 -0.011 0.000 2.367 90 G CA 0.155 45.249 45.100 -0.011 0.000 1.555 90 G HN 0.467 nan 8.290 nan 0.000 0.490 91 D N 0.915 121.309 120.400 -0.011 0.000 2.283 91 D HA 0.514 5.154 4.640 0.000 0.000 0.248 91 D C 1.068 177.362 176.300 -0.011 0.000 1.072 91 D CA 1.572 55.565 54.000 -0.012 0.000 0.929 91 D CB 1.000 41.793 40.800 -0.012 0.000 1.182 91 D HN 1.708 nan 8.370 nan 0.000 0.433 92 G N 1.016 109.809 108.800 -0.013 0.000 2.137 92 G HA2 -0.320 3.640 3.960 0.000 0.000 0.237 92 G HA3 -0.320 3.640 3.960 0.000 0.000 0.237 92 G C 1.129 176.021 174.900 -0.012 0.000 1.002 92 G CA 1.031 46.123 45.100 -0.013 0.000 0.702 92 G HN 0.650 nan 8.290 nan 0.000 0.515 93 T N -2.831 111.716 114.554 -0.012 0.000 2.622 93 T HA -0.170 4.180 4.350 0.000 0.000 0.266 93 T C 2.185 176.877 174.700 -0.013 0.000 1.047 93 T CA 2.727 64.820 62.100 -0.011 0.000 1.159 93 T CB -0.699 68.162 68.868 -0.011 0.000 0.863 93 T HN 0.321 nan 8.240 nan 0.000 0.422 94 T N 1.211 115.756 114.554 -0.015 0.000 2.737 94 T HA -0.057 4.293 4.350 0.000 0.000 0.265 94 T C 2.252 176.939 174.700 -0.022 0.000 1.038 94 T CA 1.851 63.941 62.100 -0.018 0.000 1.144 94 T CB -0.925 67.932 68.868 -0.019 0.000 0.866 94 T HN 0.527 nan 8.240 nan 0.000 0.434 95 T N 1.637 116.178 114.554 -0.022 0.000 2.639 95 T HA 0.015 4.365 4.350 0.000 0.000 0.261 95 T C 2.318 177.001 174.700 -0.028 0.000 1.053 95 T CA 1.310 63.395 62.100 -0.026 0.000 1.158 95 T CB -0.784 68.070 68.868 -0.022 0.000 0.863 95 T HN 0.378 nan 8.240 nan 0.000 0.413 96 A N 0.588 123.396 122.820 -0.020 0.000 1.997 96 A HA -0.227 4.093 4.320 0.000 0.000 0.226 96 A C 2.390 179.961 177.584 -0.022 0.000 1.327 96 A CA 2.759 54.786 52.037 -0.016 0.000 0.693 96 A CB -1.192 17.803 19.000 -0.008 0.000 0.832 96 A HN 0.460 nan 8.150 nan 0.000 0.497 97 V N -2.660 117.240 119.914 -0.023 0.000 2.922 97 V HA -0.001 4.120 4.120 0.000 0.000 0.242 97 V C 2.262 178.338 176.094 -0.029 0.000 1.094 97 V CA 0.942 63.229 62.300 -0.022 0.000 1.106 97 V CB -0.276 31.538 31.823 -0.015 0.000 0.799 97 V HN 0.286 nan 8.190 nan 0.000 0.474 98 V N 1.428 121.322 119.914 -0.034 0.000 2.270 98 V HA -0.170 3.950 4.120 0.000 0.000 0.245 98 V C 2.521 178.582 176.094 -0.055 0.000 1.043 98 V CA 2.368 64.644 62.300 -0.040 0.000 1.014 98 V CB 0.158 31.957 31.823 -0.040 0.000 0.645 98 V HN 0.557 nan 8.190 nan 0.000 0.447 99 V N -1.114 118.759 119.914 -0.069 0.000 3.488 99 V HA 0.099 4.220 4.120 0.000 0.000 0.273 99 V C 1.874 177.896 176.094 -0.119 0.000 1.209 99 V CA 1.518 63.752 62.300 -0.109 0.000 1.179 99 V CB -0.934 30.812 31.823 -0.128 0.000 0.842 99 V HN 0.366 nan 8.190 nan 0.000 0.515 100 A N 0.820 123.596 122.820 -0.073 0.000 1.943 100 A HA 0.383 4.703 4.320 0.000 0.000 0.213 100 A C 2.224 179.784 177.584 -0.040 0.000 1.181 100 A CA 1.040 53.047 52.037 -0.051 0.000 0.653 100 A CB -0.774 18.210 19.000 -0.027 0.000 0.833 100 A HN 0.674 nan 8.150 nan 0.000 0.451 101 G N -0.605 108.172 108.800 -0.039 0.000 2.539 101 G HA2 0.010 3.970 3.960 0.000 0.000 0.215 101 G HA3 0.010 3.970 3.960 0.000 0.000 0.215 101 G C 1.372 176.252 174.900 -0.033 0.000 1.141 101 G CA 1.036 46.118 45.100 -0.030 0.000 0.806 101 G HN 0.517 nan 8.290 nan 0.000 0.533 102 E N 0.244 120.416 120.200 -0.048 0.000 2.016 102 E HA -0.006 4.344 4.350 0.000 0.000 0.190 102 E C 2.122 178.690 176.600 -0.054 0.000 0.985 102 E CA 0.441 56.809 56.400 -0.053 0.000 0.802 102 E CB -0.441 29.216 29.700 -0.073 0.000 0.762 102 E HN 0.166 nan 8.360 nan 0.000 0.448 103 L N 0.549 121.720 121.223 -0.087 0.000 2.642 103 L HA -0.040 4.300 4.340 0.000 0.000 0.236 103 L C 1.610 178.493 176.870 0.021 0.000 1.169 103 L CA 0.957 55.762 54.840 -0.058 0.000 0.851 103 L CB -0.161 41.794 42.059 -0.173 0.000 0.968 103 L HN 0.276 nan 8.230 nan 0.000 0.453 104 L N -1.390 119.829 121.223 -0.007 0.000 2.121 104 L HA -0.061 4.279 4.340 0.000 0.000 0.200 104 L C 2.630 179.497 176.870 -0.005 0.000 1.077 104 L CA 0.844 55.679 54.840 -0.007 0.000 0.766 104 L CB -0.619 41.431 42.059 -0.015 0.000 0.931 104 L HN 0.226 nan 8.230 nan 0.000 0.452 105 R N 0.801 121.296 120.500 -0.009 0.000 2.103 105 R HA -0.188 4.153 4.340 0.000 0.000 0.242 105 R C 2.015 178.318 176.300 0.004 0.000 1.142 105 R CA 1.474 57.569 56.100 -0.008 0.000 0.960 105 R CB -0.127 30.166 30.300 -0.012 0.000 0.858 105 R HN 0.186 nan 8.270 nan 0.000 0.439 106 K N 0.154 120.566 120.400 0.019 0.000 2.288 106 K HA 0.025 4.346 4.320 0.000 0.000 0.201 106 K C 1.815 178.457 176.600 0.071 0.000 1.048 106 K CA 0.956 57.271 56.287 0.047 0.000 0.956 106 K CB 0.098 32.640 32.500 0.070 0.000 0.746 106 K HN 0.333 nan 8.250 nan 0.000 0.461 107 A N 0.804 123.654 122.820 0.050 0.000 2.067 107 A HA -0.120 4.200 4.320 0.000 0.000 0.217 107 A C 2.021 179.589 177.584 -0.027 0.000 1.156 107 A CA 1.120 53.154 52.037 -0.005 0.000 0.683 107 A CB -0.141 18.812 19.000 -0.078 0.000 0.808 107 A HN 0.361 nan 8.150 nan 0.000 0.455 108 E N 0.295 120.487 120.200 -0.013 0.000 2.076 108 E HA -0.161 4.189 4.350 0.000 0.000 0.190 108 E C 1.744 178.337 176.600 -0.012 0.000 0.979 108 E CA 0.950 57.338 56.400 -0.019 0.000 0.807 108 E CB -0.129 29.561 29.700 -0.018 0.000 0.761 108 E HN 0.688 nan 8.360 nan 0.000 0.454 109 E N 0.737 120.938 120.200 0.002 0.000 2.114 109 E HA -0.257 4.093 4.350 0.000 0.000 0.199 109 E C 2.305 178.909 176.600 0.006 0.000 1.008 109 E CA 1.610 58.015 56.400 0.007 0.000 0.810 109 E CB -0.346 29.367 29.700 0.021 0.000 0.739 109 E HN 0.406 nan 8.360 nan 0.000 0.456 110 L N 0.539 121.765 121.223 0.006 0.000 1.973 110 L HA -0.153 4.188 4.340 0.000 0.000 0.208 110 L C 2.685 179.540 176.870 -0.024 0.000 1.073 110 L CA 1.052 55.889 54.840 -0.004 0.000 0.746 110 L CB -1.034 41.032 42.059 0.011 0.000 0.891 110 L HN 0.049 nan 8.230 nan 0.000 0.433 111 L N 0.395 121.591 121.223 -0.046 0.000 2.283 111 L HA -0.248 4.093 4.340 0.000 0.000 0.217 111 L C 1.893 178.742 176.870 -0.035 0.000 1.104 111 L CA 1.176 55.980 54.840 -0.059 0.000 0.772 111 L CB -0.962 41.045 42.059 -0.085 0.000 0.899 111 L HN 0.437 nan 8.230 nan 0.000 0.439 112 D N -0.581 119.806 120.400 -0.021 0.000 2.327 112 D HA -0.116 4.525 4.640 0.000 0.000 0.205 112 D C 2.138 178.437 176.300 -0.003 0.000 0.989 112 D CA 0.783 54.776 54.000 -0.011 0.000 0.873 112 D CB 0.230 41.023 40.800 -0.011 0.000 0.955 112 D HN 0.509 nan 8.370 nan 0.000 0.515 113 Q N 0.928 120.727 119.800 -0.002 0.000 2.165 113 Q HA -0.017 4.323 4.340 0.000 0.000 0.197 113 Q C 1.036 177.040 176.000 0.008 0.000 0.952 113 Q CA 1.510 57.316 55.803 0.005 0.000 0.848 113 Q CB 0.351 29.095 28.738 0.009 0.000 0.931 113 Q HN 0.079 nan 8.270 nan 0.000 0.470 114 N N -2.552 116.153 118.700 0.007 0.000 2.004 114 N HA 0.063 4.803 4.740 0.000 0.000 0.282 114 N C -1.554 173.965 175.510 0.016 0.000 1.294 114 N CA 0.067 53.124 53.050 0.013 0.000 0.738 114 N CB 1.116 39.614 38.487 0.019 0.000 1.528 114 N HN -0.057 nan 8.380 nan 0.000 0.642 115 V N 3.399 123.314 119.914 0.002 0.000 2.370 115 V HA 0.068 4.188 4.120 0.000 0.000 0.257 115 V C 0.182 176.258 176.094 -0.029 0.000 1.064 115 V CA 0.146 62.453 62.300 0.013 0.000 0.975 115 V CB -0.249 31.579 31.823 0.010 0.000 1.067 115 V HN 0.409 nan 8.190 nan 0.000 0.485 116 H N 8.282 127.347 119.070 -0.008 0.000 1.799 116 H HA -0.139 4.417 4.556 0.000 0.000 0.315 116 H C -1.019 174.296 175.328 -0.022 0.000 0.805 116 H CA 0.443 56.485 56.048 -0.011 0.000 1.047 116 H CB 0.191 29.948 29.762 -0.007 0.000 1.526 116 H HN 0.603 nan 8.280 nan 0.000 0.272 117 P HA -0.298 nan 4.420 nan 0.000 0.221 117 P C 1.558 178.748 177.300 -0.183 0.000 1.151 117 P CA 2.243 65.095 63.100 -0.413 0.000 0.843 117 P CB -0.184 31.254 31.700 -0.437 0.000 0.778 118 T N -1.876 112.661 114.554 -0.028 0.000 2.684 118 T HA -0.226 4.124 4.350 0.000 0.000 0.267 118 T C 1.829 176.551 174.700 0.037 0.000 1.032 118 T CA 1.516 63.686 62.100 0.116 0.000 1.155 118 T CB -0.926 68.087 68.868 0.241 0.000 0.857 118 T HN 0.006 nan 8.240 nan 0.000 0.457 119 I N 0.619 121.199 120.570 0.016 0.000 2.296 119 I HA 0.028 4.198 4.170 0.000 0.000 0.242 119 I C 2.802 178.908 176.117 -0.019 0.000 1.087 119 I CA 0.470 61.780 61.300 0.018 0.000 1.393 119 I CB -1.498 36.518 38.000 0.026 0.000 1.093 119 I HN 0.201 nan 8.210 nan 0.000 0.421 120 V N 1.945 121.794 119.914 -0.108 0.000 2.250 120 V HA -0.306 3.814 4.120 0.000 0.000 0.253 120 V C 2.756 178.652 176.094 -0.331 0.000 1.065 120 V CA 2.938 65.072 62.300 -0.277 0.000 1.039 120 V CB -0.407 31.195 31.823 -0.369 0.000 0.647 120 V HN 0.312 nan 8.190 nan 0.000 0.446 121 V N -1.375 118.423 119.914 -0.193 0.000 2.255 121 V HA -0.311 3.809 4.120 0.000 0.000 0.247 121 V C 2.450 178.564 176.094 0.032 0.000 1.051 121 V CA 2.676 64.925 62.300 -0.085 0.000 1.018 121 V CB -1.434 30.363 31.823 -0.043 0.000 0.641 121 V HN 0.540 nan 8.190 nan 0.000 0.445 122 K N 1.414 121.835 120.400 0.034 0.000 2.286 122 K HA -0.104 4.216 4.320 0.000 0.000 0.203 122 K C 1.937 178.601 176.600 0.107 0.000 1.045 122 K CA 1.686 58.011 56.287 0.064 0.000 0.935 122 K CB -0.677 31.853 32.500 0.049 0.000 0.737 122 K HN 0.678 nan 8.250 nan 0.000 0.460 123 G N -1.528 107.387 108.800 0.192 0.000 2.576 123 G HA2 -0.105 3.855 3.960 0.000 0.000 0.210 123 G HA3 -0.105 3.855 3.960 0.000 0.000 0.210 123 G C 0.839 175.958 174.900 0.365 0.000 1.143 123 G CA -0.033 45.249 45.100 0.304 0.000 0.819 123 G HN 0.193 nan 8.290 nan 0.000 0.534 124 Y N 2.110 122.414 120.300 0.006 0.000 2.373 124 Y HA -0.098 4.452 4.550 0.000 0.000 0.293 124 Y C 3.047 178.864 175.900 -0.138 0.000 1.129 124 Y CA 0.604 58.690 58.100 -0.022 0.000 1.226 124 Y CB -0.755 37.848 38.460 0.238 0.000 1.000 124 Y HN 0.461 nan 8.280 nan 0.000 0.549 125 Q N 0.094 119.960 119.800 0.110 0.000 2.050 125 Q HA -0.122 4.218 4.340 0.000 0.000 0.202 125 Q C 2.187 178.158 176.000 -0.047 0.000 0.980 125 Q CA 1.708 57.523 55.803 0.020 0.000 0.840 125 Q CB -0.720 28.042 28.738 0.040 0.000 0.898 125 Q HN 0.317 nan 8.270 nan 0.000 0.424 126 A N 0.694 123.499 122.820 -0.025 0.000 2.167 126 A HA 0.340 4.660 4.320 0.000 0.000 0.214 126 A C 2.047 179.541 177.584 -0.150 0.000 1.151 126 A CA 0.860 52.877 52.037 -0.033 0.000 0.735 126 A CB -0.226 18.809 19.000 0.058 0.000 0.802 126 A HN 0.524 nan 8.150 nan 0.000 0.467 127 A N -1.200 121.458 122.820 -0.269 0.000 2.308 127 A HA 0.596 4.916 4.320 0.000 0.000 0.217 127 A C 1.925 179.107 177.584 -0.670 0.000 1.216 127 A CA 0.969 52.694 52.037 -0.521 0.000 0.864 127 A CB -0.255 18.373 19.000 -0.620 0.000 0.902 127 A HN 0.720 nan 8.150 nan 0.000 0.499 128 A N 0.071 122.612 122.820 -0.464 0.000 2.014 128 A HA 0.168 4.489 4.320 0.000 0.000 0.210 128 A C 1.918 179.393 177.584 -0.181 0.000 1.188 128 A CA 0.973 52.850 52.037 -0.267 0.000 0.731 128 A CB -0.310 18.625 19.000 -0.110 0.000 0.858 128 A HN 0.580 nan 8.150 nan 0.000 0.464 129 Q N 0.662 120.356 119.800 -0.177 0.000 1.554 129 Q HA -0.204 4.136 4.340 0.000 0.000 0.504 129 Q C 1.683 177.589 176.000 -0.158 0.000 0.993 129 Q CA 1.747 57.471 55.803 -0.131 0.000 0.887 129 Q CB -0.673 28.021 28.738 -0.072 0.000 0.943 129 Q HN 0.411 nan 8.270 nan 0.000 0.379 130 K N 0.559 120.825 120.400 -0.223 0.000 2.413 130 K HA -0.422 3.898 4.320 0.000 0.000 0.205 130 K C 1.962 178.401 176.600 -0.269 0.000 0.830 130 K CA 3.071 59.159 56.287 -0.332 0.000 0.991 130 K CB -1.312 30.782 32.500 -0.677 0.000 1.171 130 K HN 0.494 nan 8.250 nan 0.000 0.553 131 A N -0.081 122.576 122.820 -0.272 0.000 1.929 131 A HA -0.376 3.944 4.320 0.000 0.000 0.221 131 A C 2.067 179.587 177.584 -0.108 0.000 1.211 131 A CA 2.581 54.517 52.037 -0.170 0.000 0.657 131 A CB -0.960 17.963 19.000 -0.129 0.000 0.827 131 A HN 0.660 nan 8.150 nan 0.000 0.462 132 Q N -0.405 119.336 119.800 -0.098 0.000 2.124 132 Q HA -0.271 4.069 4.340 0.000 0.000 0.215 132 Q C 1.761 177.724 176.000 -0.062 0.000 1.015 132 Q CA 2.519 58.281 55.803 -0.069 0.000 0.890 132 Q CB -0.616 28.088 28.738 -0.057 0.000 0.966 132 Q HN 0.903 nan 8.270 nan 0.000 0.412 133 E N -0.226 119.927 120.200 -0.080 0.000 2.478 133 E HA 0.005 4.355 4.350 0.000 0.000 0.194 133 E C 2.027 178.592 176.600 -0.059 0.000 1.045 133 E CA 0.259 56.622 56.400 -0.061 0.000 0.868 133 E CB -0.084 29.579 29.700 -0.061 0.000 0.885 133 E HN 0.373 nan 8.360 nan 0.000 0.505 134 L N -0.525 120.652 121.223 -0.077 0.000 2.056 134 L HA -0.103 4.237 4.340 0.000 0.000 0.207 134 L C 2.156 179.003 176.870 -0.038 0.000 1.078 134 L CA 0.730 55.533 54.840 -0.062 0.000 0.749 134 L CB -0.542 41.478 42.059 -0.065 0.000 0.901 134 L HN 0.096 nan 8.230 nan 0.000 0.433 135 L N 0.574 121.775 121.223 -0.037 0.000 2.095 135 L HA -0.061 4.280 4.340 0.000 0.000 0.204 135 L C 2.616 179.480 176.870 -0.011 0.000 1.080 135 L CA 1.712 56.539 54.840 -0.022 0.000 0.759 135 L CB -0.822 41.226 42.059 -0.018 0.000 0.914 135 L HN 0.308 nan 8.230 nan 0.000 0.439 136 K N -0.675 119.716 120.400 -0.015 0.000 2.113 136 K HA -0.180 4.140 4.320 0.000 0.000 0.208 136 K C 1.794 178.393 176.600 -0.002 0.000 1.047 136 K CA 1.979 58.261 56.287 -0.008 0.000 0.928 136 K CB -0.450 32.044 32.500 -0.010 0.000 0.716 136 K HN 0.505 nan 8.250 nan 0.000 0.446 137 T N -0.997 113.555 114.554 -0.003 0.000 3.054 137 T HA 0.059 4.409 4.350 0.000 0.000 0.259 137 T C 1.707 176.417 174.700 0.017 0.000 1.092 137 T CA 0.398 62.501 62.100 0.005 0.000 1.121 137 T CB -0.273 68.596 68.868 0.002 0.000 0.912 137 T HN 0.394 nan 8.240 nan 0.000 0.489 138 I N -1.264 119.317 120.570 0.019 0.000 3.956 138 I HA 0.619 4.789 4.170 0.000 0.000 0.333 138 I C 1.033 177.176 176.117 0.043 0.000 1.302 138 I CA -0.601 60.727 61.300 0.046 0.000 1.122 138 I CB -0.697 37.333 38.000 0.049 0.000 1.013 138 I HN 0.167 nan 8.210 nan 0.000 0.405 139 A N 2.805 125.640 122.820 0.023 0.000 1.581 139 A HA -0.220 4.100 4.320 0.000 0.000 0.267 139 A C 0.662 178.259 177.584 0.022 0.000 1.120 139 A CA 0.942 52.990 52.037 0.018 0.000 1.028 139 A CB -2.213 16.793 19.000 0.010 0.000 1.039 139 A HN 0.830 nan 8.150 nan 0.000 0.263 140 C N 3.020 122.334 119.300 0.024 0.000 2.225 140 C HA 0.611 5.071 4.460 0.000 0.000 0.328 140 C C 0.380 175.375 174.990 0.009 0.000 1.187 140 C CA -1.364 57.664 59.018 0.016 0.000 1.665 140 C CB -0.224 27.523 27.740 0.012 0.000 2.253 140 C HN 0.738 nan 8.230 nan 0.000 0.497 141 E N 1.905 122.109 120.200 0.006 0.000 2.608 141 E HA 0.264 4.614 4.350 0.000 0.000 0.259 141 E C 0.001 176.603 176.600 0.003 0.000 0.951 141 E CA 0.493 56.895 56.400 0.004 0.000 0.945 141 E CB 0.658 30.360 29.700 0.003 0.000 0.916 141 E HN 0.971 nan 8.360 nan 0.000 0.477 142 V N 0.661 120.576 119.914 0.002 0.000 3.002 142 V HA 0.390 4.510 4.120 0.000 0.000 0.259 142 V C -0.565 175.530 176.094 0.002 0.000 1.748 142 V CA -0.230 62.071 62.300 0.002 0.000 0.954 142 V CB 1.907 33.731 31.823 0.002 0.000 1.323 142 V HN 0.784 nan 8.190 nan 0.000 0.458 143 G N 3.289 112.090 108.800 0.001 0.000 2.378 143 G HA2 0.603 4.563 3.960 0.000 0.000 0.255 143 G HA3 0.603 4.563 3.960 0.000 0.000 0.255 143 G C 1.186 176.087 174.900 0.001 0.000 1.270 143 G CA 0.478 45.578 45.100 0.001 0.000 0.876 143 G HN 2.348 nan 8.290 nan 0.000 0.521 144 A N 2.496 125.316 122.820 0.001 0.000 1.745 144 A HA -0.437 3.883 4.320 0.000 0.000 0.339 144 A C 2.193 179.777 177.584 -0.000 0.000 4.536 144 A CA 3.268 55.305 52.037 0.000 0.000 1.018 144 A CB -1.161 17.839 19.000 0.000 0.000 0.591 144 A HN 1.311 nan 8.150 nan 0.000 0.481 145 Q N 0.131 119.931 119.800 0.000 0.000 2.444 145 Q HA 0.168 4.508 4.340 0.000 0.000 0.206 145 Q C 0.221 176.221 176.000 0.000 0.000 0.948 145 Q CA 0.933 56.736 55.803 -0.000 0.000 0.946 145 Q CB -0.244 28.494 28.738 -0.001 0.000 1.027 145 Q HN 0.639 nan 8.270 nan 0.000 0.513 146 D N 1.294 121.694 120.400 0.000 0.000 2.458 146 D HA -0.071 4.569 4.640 0.000 0.000 0.243 146 D C 0.915 177.216 176.300 0.001 0.000 1.146 146 D CA 0.093 54.094 54.000 0.001 0.000 0.877 146 D CB 0.941 41.742 40.800 0.001 0.000 1.176 146 D HN 0.184 nan 8.370 nan 0.000 0.461 147 K N 4.399 124.800 120.400 0.001 0.000 2.074 147 K HA -0.274 4.047 4.320 0.000 0.000 0.209 147 K C 1.496 178.097 176.600 0.002 0.000 1.048 147 K CA 1.959 58.247 56.287 0.001 0.000 0.926 147 K CB -0.188 32.313 32.500 0.001 0.000 0.713 147 K HN 0.734 nan 8.250 nan 0.000 0.444 148 E N 1.084 121.285 120.200 0.002 0.000 2.023 148 E HA -0.217 4.133 4.350 0.000 0.000 0.196 148 E C 2.333 178.935 176.600 0.004 0.000 1.003 148 E CA 2.081 58.483 56.400 0.003 0.000 0.809 148 E CB -0.494 29.207 29.700 0.002 0.000 0.755 148 E HN 0.548 nan 8.360 nan 0.000 0.449 149 I N -1.107 119.465 120.570 0.003 0.000 2.439 149 I HA -0.105 4.065 4.170 0.000 0.000 0.251 149 I C 2.108 178.227 176.117 0.004 0.000 1.139 149 I CA 0.712 62.015 61.300 0.004 0.000 1.438 149 I CB -0.205 37.797 38.000 0.003 0.000 1.085 149 I HN 0.068 nan 8.210 nan 0.000 0.427 150 L N 1.625 122.850 121.223 0.003 0.000 2.131 150 L HA -0.133 4.207 4.340 0.000 0.000 0.210 150 L C 2.884 179.756 176.870 0.003 0.000 1.092 150 L CA 2.434 57.275 54.840 0.002 0.000 0.759 150 L CB -1.111 40.948 42.059 0.001 0.000 0.903 150 L HN 0.644 nan 8.230 nan 0.000 0.435 151 T N -2.803 111.754 114.554 0.004 0.000 2.851 151 T HA -0.144 4.206 4.350 0.000 0.000 0.262 151 T C 1.742 176.447 174.700 0.008 0.000 1.043 151 T CA 0.804 62.908 62.100 0.006 0.000 1.140 151 T CB -0.216 68.655 68.868 0.005 0.000 0.872 151 T HN 0.359 nan 8.240 nan 0.000 0.446 152 K N 2.920 123.325 120.400 0.009 0.000 1.984 152 K HA -0.253 4.067 4.320 0.000 0.000 0.234 152 K C 2.162 178.768 176.600 0.010 0.000 0.986 152 K CA 2.327 58.620 56.287 0.011 0.000 1.041 152 K CB -1.457 31.051 32.500 0.013 0.000 0.708 152 K HN 0.407 nan 8.250 nan 0.000 0.493 153 I N 0.458 121.032 120.570 0.008 0.000 2.381 153 I HA -0.288 3.882 4.170 0.000 0.000 0.255 153 I C 2.542 178.662 176.117 0.005 0.000 1.140 153 I CA 2.059 63.362 61.300 0.006 0.000 1.404 153 I CB -1.673 36.330 38.000 0.004 0.000 1.075 153 I HN 0.482 nan 8.210 nan 0.000 0.433 154 A N 2.543 125.366 122.820 0.005 0.000 1.874 154 A HA -0.124 4.197 4.320 0.000 0.000 0.214 154 A C 2.532 180.120 177.584 0.007 0.000 1.189 154 A CA 1.429 53.469 52.037 0.004 0.000 0.615 154 A CB -0.647 18.355 19.000 0.003 0.000 0.830 154 A HN 0.574 nan 8.150 nan 0.000 0.443 155 M N -0.859 118.747 119.600 0.010 0.000 2.108 155 M HA -0.180 4.300 4.480 0.000 0.000 0.257 155 M C 1.608 177.919 176.300 0.019 0.000 1.071 155 M CA 2.622 57.932 55.300 0.016 0.000 1.093 155 M CB -1.191 31.421 32.600 0.020 0.000 1.345 155 M HN 0.166 nan 8.290 nan 0.000 0.403 156 T N 0.415 114.978 114.554 0.015 0.000 3.055 156 T HA 0.017 4.367 4.350 0.000 0.000 0.265 156 T C 1.876 176.580 174.700 0.007 0.000 1.111 156 T CA 1.195 63.303 62.100 0.012 0.000 1.118 156 T CB -0.123 68.752 68.868 0.011 0.000 0.909 156 T HN 0.536 nan 8.240 nan 0.000 0.501 157 S N 1.143 116.845 115.700 0.005 0.000 2.345 157 S HA 0.093 4.563 4.470 0.000 0.000 0.220 157 S C 1.305 175.906 174.600 0.002 0.000 1.031 157 S CA 0.781 58.982 58.200 0.001 0.000 0.996 157 S CB -0.140 63.059 63.200 -0.002 0.000 0.882 157 S HN 0.425 nan 8.310 nan 0.000 0.445 158 I N 2.283 122.857 120.570 0.006 0.000 3.832 158 I HA 0.093 4.263 4.170 0.000 0.000 0.324 158 I C 0.346 176.474 176.117 0.018 0.000 1.447 158 I CA -0.125 61.180 61.300 0.010 0.000 1.242 158 I CB -0.460 37.546 38.000 0.011 0.000 1.212 158 I HN 0.214 nan 8.210 nan 0.000 0.415 159 T N -2.430 112.134 114.554 0.017 0.000 2.918 159 T HA 0.634 4.984 4.350 0.000 0.000 0.286 159 T C 0.877 175.585 174.700 0.013 0.000 1.026 159 T CA -0.175 61.940 62.100 0.024 0.000 1.031 159 T CB 1.871 70.755 68.868 0.027 0.000 1.046 159 T HN 0.370 nan 8.240 nan 0.000 0.479 160 G N 1.439 110.251 108.800 0.020 0.000 2.198 160 G HA2 -0.192 3.768 3.960 0.000 0.000 0.257 160 G HA3 -0.192 3.768 3.960 0.000 0.000 0.257 160 G C -0.164 174.742 174.900 0.011 0.000 1.042 160 G CA 0.538 45.645 45.100 0.011 0.000 0.791 160 G HN 0.928 nan 8.290 nan 0.000 0.502 161 K N -2.268 118.143 120.400 0.019 0.000 2.213 161 K HA 0.633 4.953 4.320 0.000 0.000 0.254 161 K C 1.610 178.224 176.600 0.023 0.000 1.062 161 K CA -0.592 55.703 56.287 0.013 0.000 0.884 161 K CB 0.328 32.830 32.500 0.004 0.000 1.437 161 K HN 0.248 nan 8.250 nan 0.000 0.464 162 G N 0.053 108.865 108.800 0.020 0.000 2.501 162 G HA2 -0.011 3.950 3.960 0.000 0.000 0.220 162 G HA3 -0.011 3.950 3.960 0.000 0.000 0.220 162 G C 0.502 175.419 174.900 0.030 0.000 1.114 162 G CA 1.198 46.317 45.100 0.031 0.000 0.757 162 G HN 0.499 nan 8.290 nan 0.000 0.559 163 A N 0.051 122.886 122.820 0.025 0.000 2.898 163 A HA 0.405 4.725 4.320 0.000 0.000 0.192 163 A C 0.961 178.559 177.584 0.023 0.000 1.090 163 A CA 0.710 52.761 52.037 0.023 0.000 1.273 163 A CB -0.546 18.465 19.000 0.020 0.000 1.224 163 A HN 0.334 nan 8.150 nan 0.000 0.561 164 E N 1.083 121.301 120.200 0.030 0.000 2.394 164 E HA -0.282 4.068 4.350 0.000 0.000 0.202 164 E C 1.348 177.969 176.600 0.036 0.000 1.029 164 E CA 1.673 58.096 56.400 0.038 0.000 0.855 164 E CB -0.113 29.622 29.700 0.057 0.000 0.770 164 E HN 0.429 nan 8.360 nan 0.000 0.527 165 K N 0.977 121.394 120.400 0.028 0.000 2.001 165 K HA -0.138 4.182 4.320 0.000 0.000 0.214 165 K C 2.142 178.749 176.600 0.012 0.000 1.050 165 K CA 1.746 58.043 56.287 0.017 0.000 0.934 165 K CB -0.865 31.641 32.500 0.010 0.000 0.718 165 K HN 0.322 nan 8.250 nan 0.000 0.443 166 A N 2.026 124.855 122.820 0.014 0.000 2.218 166 A HA -0.063 4.257 4.320 0.000 0.000 0.209 166 A C 1.927 179.518 177.584 0.012 0.000 1.168 166 A CA 1.100 53.143 52.037 0.011 0.000 0.804 166 A CB -0.431 18.576 19.000 0.011 0.000 0.834 166 A HN 0.474 nan 8.150 nan 0.000 0.482 167 K N 0.674 121.083 120.400 0.015 0.000 2.285 167 K HA -0.375 3.946 4.320 0.000 0.000 0.214 167 K C 1.623 178.230 176.600 0.012 0.000 1.015 167 K CA 2.388 58.685 56.287 0.016 0.000 0.930 167 K CB -0.697 31.817 32.500 0.024 0.000 0.887 167 K HN 0.542 nan 8.250 nan 0.000 0.486 168 E N 0.661 120.867 120.200 0.010 0.000 2.152 168 E HA -0.183 4.167 4.350 0.000 0.000 0.192 168 E C 1.918 178.522 176.600 0.006 0.000 0.983 168 E CA 1.169 57.574 56.400 0.007 0.000 0.818 168 E CB 0.079 29.782 29.700 0.005 0.000 0.758 168 E HN 0.380 nan 8.360 nan 0.000 0.467 169 K N 0.273 120.677 120.400 0.007 0.000 2.007 169 K HA -0.073 4.247 4.320 0.000 0.000 0.206 169 K C 2.044 178.648 176.600 0.007 0.000 1.047 169 K CA 0.664 56.955 56.287 0.007 0.000 0.937 169 K CB -0.282 32.222 32.500 0.008 0.000 0.718 169 K HN 0.063 nan 8.250 nan 0.000 0.438 170 L N 0.424 121.651 121.223 0.007 0.000 2.263 170 L HA -0.141 4.199 4.340 0.000 0.000 0.216 170 L C 1.977 178.849 176.870 0.004 0.000 1.111 170 L CA 1.991 56.834 54.840 0.006 0.000 0.773 170 L CB -1.020 41.043 42.059 0.007 0.000 0.906 170 L HN 0.277 nan 8.230 nan 0.000 0.439 171 A N -1.877 120.946 122.820 0.005 0.000 2.115 171 A HA -0.014 4.306 4.320 0.000 0.000 0.211 171 A C 2.241 179.827 177.584 0.003 0.000 1.169 171 A CA 0.476 52.516 52.037 0.005 0.000 0.787 171 A CB -0.134 18.870 19.000 0.007 0.000 0.858 171 A HN 0.401 nan 8.150 nan 0.000 0.474 172 E N 1.172 121.374 120.200 0.004 0.000 2.008 172 E HA -0.153 4.197 4.350 0.000 0.000 0.191 172 E C 1.992 178.593 176.600 0.002 0.000 0.986 172 E CA 1.506 57.908 56.400 0.003 0.000 0.807 172 E CB -0.389 29.313 29.700 0.003 0.000 0.766 172 E HN 0.606 nan 8.360 nan 0.000 0.450 173 I N 1.535 122.107 120.570 0.003 0.000 2.530 173 I HA -0.214 3.956 4.170 0.000 0.000 0.257 173 I C 2.425 178.541 176.117 -0.002 0.000 1.179 173 I CA 1.263 62.564 61.300 0.001 0.000 1.440 173 I CB -0.760 37.242 38.000 0.004 0.000 1.087 173 I HN 0.258 nan 8.210 nan 0.000 0.440 174 I N -0.370 120.199 120.570 -0.003 0.000 2.233 174 I HA -0.120 4.050 4.170 0.000 0.000 0.243 174 I C 2.405 178.519 176.117 -0.006 0.000 1.093 174 I CA 1.197 62.494 61.300 -0.005 0.000 1.380 174 I CB -1.058 36.939 38.000 -0.005 0.000 1.067 174 I HN 0.033 nan 8.210 nan 0.000 0.413 175 V N 1.838 121.750 119.914 -0.004 0.000 2.427 175 V HA -0.193 3.927 4.120 0.000 0.000 0.248 175 V C 2.638 178.729 176.094 -0.005 0.000 1.051 175 V CA 1.944 64.242 62.300 -0.004 0.000 1.048 175 V CB -0.831 30.991 31.823 -0.001 0.000 0.666 175 V HN 0.441 nan 8.190 nan 0.000 0.456 176 E N 0.473 120.670 120.200 -0.004 0.000 2.038 176 E HA -0.260 4.090 4.350 0.000 0.000 0.195 176 E C 2.380 178.975 176.600 -0.009 0.000 1.000 176 E CA 1.371 57.768 56.400 -0.005 0.000 0.803 176 E CB -0.438 29.260 29.700 -0.002 0.000 0.750 176 E HN 0.565 nan 8.360 nan 0.000 0.448 177 A N 1.227 124.040 122.820 -0.011 0.000 1.883 177 A HA -0.302 4.018 4.320 0.000 0.000 0.222 177 A C 2.557 180.129 177.584 -0.020 0.000 1.339 177 A CA 2.712 54.738 52.037 -0.017 0.000 0.692 177 A CB -1.289 17.701 19.000 -0.018 0.000 0.845 177 A HN 0.178 nan 8.150 nan 0.000 0.467 178 V N -0.956 118.948 119.914 -0.016 0.000 2.626 178 V HA -0.131 3.989 4.120 0.000 0.000 0.252 178 V C 2.412 178.497 176.094 -0.015 0.000 1.067 178 V CA 2.122 64.412 62.300 -0.016 0.000 1.081 178 V CB -0.586 31.229 31.823 -0.013 0.000 0.686 178 V HN 0.534 nan 8.190 nan 0.000 0.468 179 S N -0.742 114.951 115.700 -0.012 0.000 2.603 179 S HA 0.252 4.722 4.470 0.000 0.000 0.220 179 S C 1.799 176.391 174.600 -0.013 0.000 0.967 179 S CA 0.791 58.985 58.200 -0.010 0.000 0.920 179 S CB 0.083 63.279 63.200 -0.006 0.000 0.773 179 S HN 0.641 nan 8.310 nan 0.000 0.529 180 A N 0.303 123.111 122.820 -0.019 0.000 2.055 180 A HA 0.227 4.547 4.320 0.000 0.000 0.205 180 A C 2.094 179.653 177.584 -0.042 0.000 1.235 180 A CA 0.615 52.636 52.037 -0.027 0.000 0.822 180 A CB -0.545 18.439 19.000 -0.026 0.000 0.903 180 A HN 0.432 nan 8.150 nan 0.000 0.473 181 V N -1.268 118.621 119.914 -0.042 0.000 2.270 181 V HA -0.017 4.103 4.120 0.000 0.000 0.245 181 V C 1.495 177.567 176.094 -0.036 0.000 1.043 181 V CA 1.388 63.660 62.300 -0.048 0.000 1.014 181 V CB -1.278 30.521 31.823 -0.040 0.000 0.645 181 V HN 0.398 nan 8.190 nan 0.000 0.447 182 V N 5.407 125.307 119.914 -0.024 0.000 2.484 182 V HA 0.059 4.179 4.120 0.000 0.000 0.276 182 V C 0.168 176.257 176.094 -0.009 0.000 0.976 182 V CA 0.223 62.514 62.300 -0.015 0.000 1.141 182 V CB -1.496 30.320 31.823 -0.011 0.000 0.975 182 V HN 0.848 nan 8.190 nan 0.000 0.466 183 D N 4.806 125.203 120.400 -0.006 0.000 2.339 183 D HA 0.072 4.713 4.640 0.000 0.000 0.245 183 D C 0.261 176.563 176.300 0.003 0.000 1.115 183 D CA -0.348 53.654 54.000 0.003 0.000 0.917 183 D CB 0.871 41.678 40.800 0.010 0.000 1.192 183 D HN 0.594 nan 8.370 nan 0.000 0.428 184 D N 0.791 121.194 120.400 0.006 0.000 2.802 184 D HA -0.233 4.408 4.640 0.000 0.000 0.229 184 D C -0.250 176.052 176.300 0.002 0.000 1.203 184 D CA 0.880 54.883 54.000 0.004 0.000 0.712 184 D CB -1.107 39.696 40.800 0.005 0.000 0.973 184 D HN 0.632 nan 8.370 nan 0.000 0.407 185 E N 0.032 120.233 120.200 0.002 0.000 3.254 185 E HA -0.071 4.279 4.350 0.000 0.000 0.321 185 E C 1.211 177.811 176.600 -0.000 0.000 0.718 185 E CA 1.457 57.857 56.400 0.000 0.000 1.140 185 E CB -0.496 29.204 29.700 0.001 0.000 0.764 185 E HN 0.805 nan 8.360 nan 0.000 0.501 186 G N 3.368 112.167 108.800 -0.001 0.000 2.164 186 G HA2 -0.209 3.752 3.960 0.000 0.000 0.154 186 G HA3 -0.209 3.752 3.960 0.000 0.000 0.154 186 G C -0.137 174.762 174.900 -0.002 0.000 1.014 186 G CA 0.021 45.120 45.100 -0.001 0.000 0.683 186 G HN 0.565 nan 8.290 nan 0.000 0.500 187 K N 0.048 120.447 120.400 -0.003 0.000 2.535 187 K HA 0.638 4.958 4.320 0.000 0.000 0.251 187 K C -0.670 175.927 176.600 -0.005 0.000 0.942 187 K CA -0.594 55.691 56.287 -0.003 0.000 0.798 187 K CB 2.398 34.897 32.500 -0.002 0.000 1.267 187 K HN 0.432 nan 8.250 nan 0.000 0.434 188 V N 1.536 121.445 119.914 -0.007 0.000 2.564 188 V HA 0.240 4.360 4.120 0.000 0.000 0.259 188 V C -0.655 175.432 176.094 -0.011 0.000 0.936 188 V CA -1.077 61.218 62.300 -0.009 0.000 0.867 188 V CB 0.772 32.589 31.823 -0.009 0.000 1.076 188 V HN 0.738 nan 8.190 nan 0.000 0.476 189 D N 3.148 123.540 120.400 -0.013 0.000 2.493 189 D HA 0.117 4.757 4.640 0.000 0.000 0.240 189 D C 1.224 177.513 176.300 -0.018 0.000 1.142 189 D CA 0.319 54.309 54.000 -0.015 0.000 0.872 189 D CB 1.508 42.299 40.800 -0.016 0.000 1.173 189 D HN 0.451 nan 8.370 nan 0.000 0.467 190 K N 2.401 122.790 120.400 -0.017 0.000 2.005 190 K HA -0.097 4.223 4.320 0.000 0.000 0.206 190 K C 1.271 177.857 176.600 -0.022 0.000 1.044 190 K CA 0.411 56.687 56.287 -0.018 0.000 0.942 190 K CB -0.099 32.392 32.500 -0.016 0.000 0.727 190 K HN 0.259 nan 8.250 nan 0.000 0.439 191 D N 1.355 121.742 120.400 -0.022 0.000 2.133 191 D HA -0.158 4.482 4.640 0.000 0.000 0.192 191 D C 1.883 178.164 176.300 -0.031 0.000 1.001 191 D CA 0.830 54.815 54.000 -0.025 0.000 0.844 191 D CB -0.218 40.569 40.800 -0.022 0.000 0.944 191 D HN -0.082 nan 8.370 nan 0.000 0.447 192 L N 0.412 121.615 121.223 -0.034 0.000 2.077 192 L HA -0.224 4.116 4.340 0.000 0.000 0.231 192 L C 0.974 177.817 176.870 -0.044 0.000 1.100 192 L CA 1.470 56.285 54.840 -0.042 0.000 0.819 192 L CB -0.875 41.157 42.059 -0.046 0.000 0.913 192 L HN 0.180 nan 8.230 nan 0.000 0.446 193 I N 0.282 120.830 120.570 -0.038 0.000 2.269 193 I HA 0.059 4.229 4.170 0.000 0.000 0.293 193 I C 0.795 176.889 176.117 -0.039 0.000 1.106 193 I CA -0.100 61.178 61.300 -0.038 0.000 1.248 193 I CB 0.243 38.224 38.000 -0.031 0.000 1.444 193 I HN 0.116 nan 8.210 nan 0.000 0.497 194 K N 7.319 127.691 120.400 -0.047 0.000 2.138 194 K HA 0.496 4.816 4.320 0.000 0.000 0.251 194 K C -0.234 176.338 176.600 -0.047 0.000 1.015 194 K CA -0.383 55.873 56.287 -0.051 0.000 0.917 194 K CB 0.928 33.390 32.500 -0.064 0.000 1.021 194 K HN 0.626 nan 8.250 nan 0.000 0.485 195 I N 0.782 121.324 120.570 -0.046 0.000 2.867 195 I HA 0.242 4.412 4.170 0.000 0.000 0.282 195 I C -0.922 175.171 176.117 -0.040 0.000 1.437 195 I CA -0.928 60.349 61.300 -0.038 0.000 0.918 195 I CB 1.231 39.214 38.000 -0.029 0.000 1.612 195 I HN 0.369 nan 8.210 nan 0.000 0.592 196 E N 5.812 125.982 120.200 -0.051 0.000 2.223 196 E HA 0.264 4.614 4.350 0.000 0.000 0.282 196 E C -0.545 176.034 176.600 -0.035 0.000 1.046 196 E CA -0.186 56.178 56.400 -0.060 0.000 0.857 196 E CB 0.799 30.437 29.700 -0.104 0.000 1.055 196 E HN 0.513 nan 8.360 nan 0.000 0.409 197 K N 3.940 124.326 120.400 -0.022 0.000 2.182 197 K HA 0.593 4.913 4.320 0.000 0.000 0.262 197 K C -0.440 176.163 176.600 0.004 0.000 0.957 197 K CA -1.005 55.280 56.287 -0.003 0.000 0.842 197 K CB 1.737 34.240 32.500 0.005 0.000 1.099 197 K HN 0.159 nan 8.250 nan 0.000 0.438 198 K N 0.999 121.409 120.400 0.015 0.000 2.556 198 K HA 0.293 4.614 4.320 0.000 0.000 0.274 198 K C -0.952 175.665 176.600 0.029 0.000 0.966 198 K CA -0.742 55.560 56.287 0.024 0.000 0.865 198 K CB 2.417 34.937 32.500 0.033 0.000 1.444 198 K HN 0.750 nan 8.250 nan 0.000 0.433 199 S N -0.095 115.623 115.700 0.030 0.000 2.565 199 S HA 0.648 5.118 4.470 0.000 0.000 0.276 199 S C 0.178 174.796 174.600 0.030 0.000 1.326 199 S CA 0.136 58.352 58.200 0.028 0.000 1.045 199 S CB 0.921 64.135 63.200 0.023 0.000 0.918 199 S HN 0.801 nan 8.310 nan 0.000 0.505 200 G N 0.587 109.403 108.800 0.026 0.000 3.435 200 G HA2 0.509 4.469 3.960 0.000 0.000 0.683 200 G HA3 0.509 4.469 3.960 0.000 0.000 0.683 200 G C -0.391 174.525 174.900 0.026 0.000 1.189 200 G CA -0.442 44.673 45.100 0.025 0.000 1.069 200 G HN 1.697 nan 8.290 nan 0.000 0.508 201 A N 0.167 123.000 122.820 0.020 0.000 2.307 201 A HA 0.790 5.110 4.320 0.000 0.000 0.296 201 A C -0.071 177.522 177.584 0.015 0.000 0.973 201 A CA 0.641 52.689 52.037 0.018 0.000 0.513 201 A CB -0.708 18.302 19.000 0.017 0.000 1.667 201 A HN 2.441 nan 8.150 nan 0.000 0.703 202 S N 0.169 115.877 115.700 0.013 0.000 2.647 202 S HA 0.612 5.082 4.470 0.000 0.000 0.300 202 S C 1.357 175.964 174.600 0.012 0.000 1.129 202 S CA 0.149 58.356 58.200 0.012 0.000 1.029 202 S CB 0.069 63.274 63.200 0.009 0.000 1.007 202 S HN 2.248 nan 8.310 nan 0.000 0.484 203 I N 1.210 121.788 120.570 0.013 0.000 4.034 203 I HA -0.475 3.695 4.170 0.000 0.000 0.126 203 I C 0.957 177.082 176.117 0.013 0.000 0.573 203 I CA 2.274 63.582 61.300 0.013 0.000 1.088 203 I CB -1.185 36.823 38.000 0.013 0.000 0.950 203 I HN 0.517 nan 8.210 nan 0.000 0.221 204 D N 0.488 120.895 120.400 0.011 0.000 2.305 204 D HA -0.058 4.582 4.640 0.000 0.000 0.206 204 D C 1.639 177.946 176.300 0.012 0.000 0.974 204 D CA 1.156 55.162 54.000 0.010 0.000 0.871 204 D CB -0.308 40.496 40.800 0.006 0.000 0.947 204 D HN 0.578 nan 8.370 nan 0.000 0.516 205 D N 1.788 122.197 120.400 0.014 0.000 2.371 205 D HA -0.064 4.576 4.640 0.000 0.000 0.234 205 D C 0.165 176.479 176.300 0.024 0.000 1.049 205 D CA 0.200 54.210 54.000 0.018 0.000 0.907 205 D CB 0.220 41.031 40.800 0.018 0.000 0.891 205 D HN 0.156 nan 8.370 nan 0.000 0.531 206 T N -1.016 113.551 114.554 0.021 0.000 2.907 206 T HA 0.321 4.671 4.350 0.000 0.000 0.298 206 T C 0.163 174.877 174.700 0.024 0.000 1.017 206 T CA -0.665 61.450 62.100 0.024 0.000 1.118 206 T CB 1.774 70.653 68.868 0.018 0.000 0.948 206 T HN 0.154 nan 8.240 nan 0.000 0.531 207 E N 2.460 122.679 120.200 0.032 0.000 2.339 207 E HA 0.542 4.893 4.350 0.000 0.000 0.262 207 E C -1.075 175.542 176.600 0.029 0.000 0.934 207 E CA -1.293 55.127 56.400 0.033 0.000 0.802 207 E CB 1.678 31.407 29.700 0.049 0.000 1.275 207 E HN 0.505 nan 8.360 nan 0.000 0.427 208 L N 2.864 124.102 121.223 0.025 0.000 2.435 208 L HA 0.329 4.669 4.340 0.000 0.000 0.253 208 L C -0.152 176.732 176.870 0.024 0.000 1.087 208 L CA -0.805 54.044 54.840 0.017 0.000 0.950 208 L CB 0.542 42.606 42.059 0.008 0.000 1.304 208 L HN 0.597 nan 8.230 nan 0.000 0.453 209 I N 1.345 121.937 120.570 0.036 0.000 2.574 209 I HA 0.004 4.174 4.170 0.000 0.000 0.291 209 I C 1.255 177.384 176.117 0.021 0.000 1.131 209 I CA -0.156 61.175 61.300 0.050 0.000 1.352 209 I CB 0.215 38.266 38.000 0.085 0.000 1.431 209 I HN 0.651 nan 8.210 nan 0.000 0.543 210 K N 4.613 125.024 120.400 0.019 0.000 2.818 210 K HA 0.075 4.395 4.320 0.000 0.000 0.222 210 K C 0.537 177.134 176.600 -0.004 0.000 0.929 210 K CA 0.654 56.943 56.287 0.003 0.000 1.026 210 K CB -0.434 32.059 32.500 -0.011 0.000 0.853 210 K HN 0.899 nan 8.250 nan 0.000 0.473 211 G N -0.014 108.783 108.800 -0.005 0.000 3.418 211 G HA2 0.365 4.325 3.960 0.000 0.000 0.179 211 G HA3 0.365 4.325 3.960 0.000 0.000 0.179 211 G C -1.253 173.617 174.900 -0.050 0.000 1.212 211 G CA -0.398 44.688 45.100 -0.024 0.000 0.935 211 G HN 0.046 nan 8.290 nan 0.000 0.716 212 V N 1.188 121.059 119.914 -0.072 0.000 2.482 212 V HA 0.495 4.616 4.120 0.000 0.000 0.295 212 V C -0.955 175.037 176.094 -0.170 0.000 1.026 212 V CA -0.330 61.894 62.300 -0.126 0.000 0.856 212 V CB 1.605 33.341 31.823 -0.144 0.000 1.001 212 V HN 0.513 nan 8.190 nan 0.000 0.424 213 L N 7.070 128.169 121.223 -0.207 0.000 2.335 213 L HA 0.607 4.947 4.340 0.000 0.000 0.268 213 L C 0.003 176.718 176.870 -0.258 0.000 1.037 213 L CA -0.387 54.262 54.840 -0.319 0.000 0.895 213 L CB 1.193 42.963 42.059 -0.481 0.000 1.266 213 L HN 0.667 nan 8.230 nan 0.000 0.439 214 V N 0.581 120.368 119.914 -0.213 0.000 3.463 214 V HA 0.565 4.685 4.120 0.000 0.000 0.302 214 V C -0.469 175.578 176.094 -0.079 0.000 1.097 214 V CA -0.557 61.661 62.300 -0.137 0.000 1.003 214 V CB 1.766 33.513 31.823 -0.126 0.000 1.229 214 V HN 0.552 nan 8.190 nan 0.000 0.444 215 D N 0.844 121.223 120.400 -0.035 0.000 2.502 215 D HA 0.462 5.103 4.640 0.000 0.000 0.301 215 D C -0.732 175.585 176.300 0.027 0.000 1.202 215 D CA -0.182 53.813 54.000 -0.008 0.000 0.878 215 D CB 0.085 40.872 40.800 -0.021 0.000 1.062 215 D HN 0.722 nan 8.370 nan 0.000 0.499 216 K N 0.823 121.259 120.400 0.061 0.000 2.587 216 K HA 0.364 4.684 4.320 0.000 0.000 0.276 216 K C -0.575 176.088 176.600 0.105 0.000 0.956 216 K CA -0.764 55.570 56.287 0.079 0.000 0.857 216 K CB 2.404 34.953 32.500 0.081 0.000 1.431 216 K HN 0.033 nan 8.250 nan 0.000 0.420 217 E N 1.172 121.418 120.200 0.077 0.000 2.264 217 E HA 0.353 4.703 4.350 0.000 0.000 0.260 217 E C -0.752 175.873 176.600 0.041 0.000 0.961 217 E CA -1.081 55.357 56.400 0.064 0.000 0.834 217 E CB 1.639 31.369 29.700 0.050 0.000 1.230 217 E HN 0.246 nan 8.360 nan 0.000 0.412 218 R N 1.441 121.958 120.500 0.028 0.000 2.248 218 R HA 0.077 4.417 4.340 0.000 0.000 0.337 218 R C 0.922 177.223 176.300 0.001 0.000 1.085 218 R CA -0.195 55.906 56.100 0.001 0.000 0.934 218 R CB 0.593 30.890 30.300 -0.005 0.000 1.034 218 R HN 0.338 nan 8.270 nan 0.000 0.465 219 V N 2.862 122.774 119.914 -0.004 0.000 2.220 219 V HA -0.260 3.860 4.120 0.000 0.000 0.250 219 V C 1.084 177.179 176.094 0.002 0.000 1.053 219 V CA 2.201 64.501 62.300 -0.000 0.000 1.019 219 V CB 0.014 31.835 31.823 -0.004 0.000 0.646 219 V HN 0.848 nan 8.190 nan 0.000 0.455 220 S N -0.921 114.777 115.700 -0.002 0.000 2.531 220 S HA 0.401 4.872 4.470 0.000 0.000 0.279 220 S C 1.020 175.622 174.600 0.003 0.000 1.305 220 S CA 0.017 58.220 58.200 0.004 0.000 1.058 220 S CB 1.291 64.496 63.200 0.008 0.000 0.899 220 S HN 0.714 nan 8.310 nan 0.000 0.493 221 A N 4.200 127.027 122.820 0.012 0.000 2.014 221 A HA -0.015 4.305 4.320 0.000 0.000 0.218 221 A C 1.991 179.580 177.584 0.008 0.000 1.163 221 A CA 0.972 53.016 52.037 0.011 0.000 0.652 221 A CB -0.478 18.531 19.000 0.016 0.000 0.808 221 A HN 0.734 nan 8.150 nan 0.000 0.449 222 Q N -0.426 119.380 119.800 0.010 0.000 2.389 222 Q HA 0.161 4.501 4.340 0.000 0.000 0.204 222 Q C 0.461 176.446 176.000 -0.024 0.000 0.944 222 Q CA 0.322 56.122 55.803 -0.005 0.000 0.908 222 Q CB -0.534 28.197 28.738 -0.012 0.000 1.002 222 Q HN 0.709 nan 8.270 nan 0.000 0.493 223 M N 2.604 122.190 119.600 -0.023 0.000 2.303 223 M HA 0.096 4.576 4.480 0.000 0.000 0.350 223 M C -1.999 174.286 176.300 -0.024 0.000 1.518 223 M CA -1.461 53.821 55.300 -0.031 0.000 1.070 223 M CB 0.223 32.798 32.600 -0.041 0.000 1.910 223 M HN -0.137 nan 8.290 nan 0.000 0.458 224 P HA -0.039 nan 4.420 nan 0.000 0.258 224 P C -0.019 177.275 177.300 -0.010 0.000 1.187 224 P CA -0.017 63.075 63.100 -0.013 0.000 0.767 224 P CB 0.278 31.970 31.700 -0.013 0.000 0.770 225 K N 1.633 122.031 120.400 -0.003 0.000 2.639 225 K HA -0.210 4.110 4.320 0.000 0.000 0.194 225 K C 0.541 177.145 176.600 0.008 0.000 1.040 225 K CA 1.517 57.807 56.287 0.004 0.000 0.917 225 K CB -0.895 31.608 32.500 0.004 0.000 0.787 225 K HN 0.721 nan 8.250 nan 0.000 0.535 226 K N -2.987 117.417 120.400 0.008 0.000 2.801 226 K HA 0.225 4.545 4.320 0.000 0.000 0.287 226 K C -1.663 174.944 176.600 0.011 0.000 1.084 226 K CA -0.703 55.593 56.287 0.014 0.000 0.901 226 K CB 0.806 33.309 32.500 0.006 0.000 1.405 226 K HN -0.204 nan 8.250 nan 0.000 0.378 227 V N 1.989 121.915 119.914 0.020 0.000 2.656 227 V HA 0.381 4.501 4.120 0.000 0.000 0.307 227 V C 1.206 177.314 176.094 0.023 0.000 1.051 227 V CA -0.149 62.163 62.300 0.019 0.000 0.893 227 V CB 1.265 33.098 31.823 0.016 0.000 0.999 227 V HN 1.058 nan 8.190 nan 0.000 0.426 228 T N 1.181 115.745 114.554 0.017 0.000 2.623 228 T HA -0.005 4.345 4.350 0.000 0.000 0.254 228 T C 0.079 174.791 174.700 0.020 0.000 1.075 228 T CA 1.061 63.170 62.100 0.015 0.000 1.177 228 T CB -0.188 68.686 68.868 0.010 0.000 0.869 228 T HN 0.698 nan 8.240 nan 0.000 0.403 229 D N 0.957 121.369 120.400 0.020 0.000 2.542 229 D HA 0.656 5.296 4.640 0.000 0.000 0.252 229 D C -1.152 175.164 176.300 0.025 0.000 1.222 229 D CA -0.315 53.700 54.000 0.024 0.000 0.895 229 D CB 1.536 42.349 40.800 0.021 0.000 1.207 229 D HN 0.658 nan 8.370 nan 0.000 0.558 230 A N 2.229 125.070 122.820 0.035 0.000 2.312 230 A HA 0.670 4.990 4.320 0.000 0.000 0.326 230 A C -0.539 177.072 177.584 0.045 0.000 1.172 230 A CA -0.881 51.181 52.037 0.041 0.000 0.821 230 A CB 0.696 19.729 19.000 0.055 0.000 1.166 230 A HN 0.287 nan 8.150 nan 0.000 0.493 231 K N 2.538 122.962 120.400 0.040 0.000 2.419 231 K HA 0.493 4.813 4.320 0.000 0.000 0.244 231 K C -0.854 175.780 176.600 0.057 0.000 1.045 231 K CA -0.316 55.997 56.287 0.043 0.000 1.004 231 K CB 0.054 32.572 32.500 0.030 0.000 1.376 231 K HN 0.492 nan 8.250 nan 0.000 0.460 232 I N 1.589 122.213 120.570 0.089 0.000 2.882 232 I HA 0.331 4.501 4.170 0.000 0.000 0.286 232 I C 0.316 176.503 176.117 0.117 0.000 1.139 232 I CA -0.099 61.284 61.300 0.138 0.000 1.379 232 I CB 0.814 38.947 38.000 0.223 0.000 1.410 232 I HN 0.627 nan 8.210 nan 0.000 0.594 233 A N 5.726 128.629 122.820 0.139 0.000 2.402 233 A HA 0.711 5.032 4.320 0.000 0.000 0.291 233 A C -1.506 176.159 177.584 0.134 0.000 1.051 233 A CA -0.554 51.539 52.037 0.093 0.000 0.716 233 A CB 0.646 19.678 19.000 0.053 0.000 1.223 233 A HN 0.390 nan 8.150 nan 0.000 0.425 234 L N 3.208 124.494 121.223 0.105 0.000 2.268 234 L HA 0.446 4.786 4.340 0.000 0.000 0.289 234 L C -0.130 176.783 176.870 0.072 0.000 1.064 234 L CA -0.013 54.889 54.840 0.104 0.000 0.824 234 L CB -0.082 42.024 42.059 0.078 0.000 1.202 234 L HN 0.617 nan 8.230 nan 0.000 0.433 235 L N 3.321 124.589 121.223 0.076 0.000 2.325 235 L HA 0.400 4.740 4.340 0.000 0.000 0.279 235 L C 1.086 177.988 176.870 0.054 0.000 1.054 235 L CA -0.246 54.625 54.840 0.051 0.000 0.804 235 L CB 1.363 43.449 42.059 0.044 0.000 1.200 235 L HN 0.649 nan 8.230 nan 0.000 0.436 236 N N 0.652 119.376 118.700 0.039 0.000 2.227 236 N HA -0.010 4.730 4.740 0.000 0.000 0.196 236 N C -0.074 175.453 175.510 0.028 0.000 1.142 236 N CA -0.248 52.823 53.050 0.035 0.000 0.887 236 N CB 0.394 38.897 38.487 0.027 0.000 1.022 236 N HN 0.511 nan 8.380 nan 0.000 0.500 237 C N 1.717 121.032 119.300 0.026 0.000 2.463 237 C HA 0.787 5.247 4.460 0.000 0.000 0.380 237 C C 0.734 175.737 174.990 0.022 0.000 1.264 237 C CA -0.394 58.637 59.018 0.021 0.000 2.161 237 C CB -1.115 26.636 27.740 0.017 0.000 2.515 237 C HN 0.692 nan 8.230 nan 0.000 0.565 238 A N 5.194 128.026 122.820 0.020 0.000 1.766 238 A HA -0.164 4.157 4.320 0.000 0.000 0.343 238 A C -0.163 177.433 177.584 0.019 0.000 0.831 238 A CA 1.024 53.072 52.037 0.019 0.000 1.561 238 A CB -0.667 18.343 19.000 0.016 0.000 0.616 238 A HN 1.161 nan 8.150 nan 0.000 0.191 239 I N 2.393 122.976 120.570 0.021 0.000 2.779 239 I HA 0.266 4.437 4.170 0.000 0.000 0.294 239 I C 0.277 176.408 176.117 0.024 0.000 1.241 239 I CA 0.206 61.519 61.300 0.022 0.000 1.069 239 I CB 0.105 38.118 38.000 0.023 0.000 1.772 239 I HN 0.725 nan 8.210 nan 0.000 0.582 240 E N 3.532 123.745 120.200 0.021 0.000 2.220 240 E HA 0.603 4.953 4.350 0.000 0.000 0.256 240 E C -1.145 175.466 176.600 0.019 0.000 0.881 240 E CA -0.761 55.652 56.400 0.021 0.000 0.766 240 E CB 1.722 31.433 29.700 0.018 0.000 1.187 240 E HN 0.059 nan 8.360 nan 0.000 0.419 241 E N 2.077 122.291 120.200 0.022 0.000 2.433 241 E HA 0.269 4.619 4.350 0.000 0.000 0.278 241 E C -0.854 175.759 176.600 0.022 0.000 0.976 241 E CA -1.028 55.384 56.400 0.019 0.000 0.793 241 E CB 2.237 31.947 29.700 0.018 0.000 1.311 241 E HN 0.495 nan 8.360 nan 0.000 0.460 242 T N 1.284 115.848 114.554 0.018 0.000 2.888 242 T HA 0.292 4.643 4.350 0.000 0.000 0.301 242 T C 0.190 174.904 174.700 0.023 0.000 1.001 242 T CA 0.356 62.467 62.100 0.018 0.000 1.147 242 T CB 0.260 69.136 68.868 0.014 0.000 0.931 242 T HN 0.607 nan 8.240 nan 0.000 0.541 243 A N 3.917 126.752 122.820 0.025 0.000 2.243 243 A HA 0.112 4.433 4.320 0.000 0.000 0.304 243 A C 1.165 178.772 177.584 0.039 0.000 1.136 243 A CA 1.059 53.114 52.037 0.030 0.000 1.385 243 A CB -1.048 17.968 19.000 0.027 0.000 0.753 243 A HN 1.605 nan 8.150 nan 0.000 0.307 244 S N 0.163 115.898 115.700 0.058 0.000 3.851 244 S HA -0.267 4.203 4.470 0.000 0.000 0.629 244 S C 1.317 175.963 174.600 0.077 0.000 2.251 244 S CA 1.750 59.995 58.200 0.075 0.000 3.800 244 S CB -1.694 61.536 63.200 0.050 0.000 0.245 244 S HN 1.743 nan 8.310 nan 0.000 0.939 245 E N 0.485 120.715 120.200 0.050 0.000 2.241 245 E HA -0.356 3.994 4.350 0.000 0.000 0.244 245 E C 2.146 178.752 176.600 0.011 0.000 1.070 245 E CA 2.736 59.148 56.400 0.020 0.000 0.998 245 E CB -0.409 29.297 29.700 0.010 0.000 0.879 245 E HN 0.674 nan 8.360 nan 0.000 0.501 246 M N 0.226 119.833 119.600 0.013 0.000 2.346 246 M HA -0.152 4.328 4.480 0.000 0.000 0.263 246 M C 1.915 178.223 176.300 0.013 0.000 1.064 246 M CA 1.345 56.650 55.300 0.008 0.000 1.083 246 M CB -0.037 32.567 32.600 0.006 0.000 1.399 246 M HN 0.234 nan 8.290 nan 0.000 0.435 247 L N 0.341 121.583 121.223 0.032 0.000 2.558 247 L HA 0.141 4.481 4.340 0.000 0.000 0.225 247 L C 2.080 178.984 176.870 0.055 0.000 1.128 247 L CA 1.271 56.139 54.840 0.047 0.000 0.868 247 L CB -0.630 41.471 42.059 0.070 0.000 1.006 247 L HN 0.368 nan 8.230 nan 0.000 0.454 248 K N -0.882 119.526 120.400 0.014 0.000 2.099 248 K HA -0.080 4.240 4.320 0.000 0.000 0.203 248 K C 1.437 177.947 176.600 -0.149 0.000 1.047 248 K CA 0.899 57.103 56.287 -0.138 0.000 0.963 248 K CB 0.116 32.442 32.500 -0.289 0.000 0.759 248 K HN 0.164 nan 8.250 nan 0.000 0.451 249 D N 1.048 121.394 120.400 -0.091 0.000 2.172 249 D HA -0.214 4.426 4.640 0.000 0.000 0.196 249 D C 1.777 178.046 176.300 -0.052 0.000 0.999 249 D CA 1.595 55.554 54.000 -0.069 0.000 0.856 249 D CB -0.062 40.709 40.800 -0.047 0.000 0.934 249 D HN 0.333 nan 8.370 nan 0.000 0.453 250 M N -0.430 119.150 119.600 -0.033 0.000 2.419 250 M HA -0.043 4.438 4.480 0.000 0.000 0.264 250 M C 1.999 178.289 176.300 -0.017 0.000 1.082 250 M CA 0.425 55.714 55.300 -0.017 0.000 1.119 250 M CB 0.398 32.997 32.600 -0.002 0.000 1.398 250 M HN -0.126 nan 8.290 nan 0.000 0.453 251 V N -0.100 119.798 119.914 -0.027 0.000 2.649 251 V HA 0.016 4.136 4.120 0.000 0.000 0.248 251 V C 2.502 178.562 176.094 -0.056 0.000 1.054 251 V CA 1.456 63.741 62.300 -0.025 0.000 1.073 251 V CB -1.042 30.791 31.823 0.016 0.000 0.699 251 V HN 0.463 nan 8.190 nan 0.000 0.463 252 A N -0.564 122.196 122.820 -0.099 0.000 2.172 252 A HA -0.127 4.193 4.320 0.000 0.000 0.216 252 A C 2.183 179.734 177.584 -0.055 0.000 1.154 252 A CA 1.224 53.206 52.037 -0.093 0.000 0.701 252 A CB -0.280 18.640 19.000 -0.133 0.000 0.789 252 A HN 0.429 nan 8.150 nan 0.000 0.465 253 E N 0.082 120.256 120.200 -0.042 0.000 2.140 253 E HA -0.028 4.322 4.350 0.000 0.000 0.191 253 E C 1.751 178.340 176.600 -0.018 0.000 0.973 253 E CA 0.492 56.876 56.400 -0.026 0.000 0.829 253 E CB -0.208 29.479 29.700 -0.021 0.000 0.781 253 E HN 0.668 nan 8.360 nan 0.000 0.466 254 I N 1.248 121.808 120.570 -0.016 0.000 2.053 254 I HA -0.338 3.832 4.170 0.000 0.000 0.236 254 I C 2.484 178.593 176.117 -0.013 0.000 1.038 254 I CA 1.785 63.078 61.300 -0.012 0.000 1.304 254 I CB -0.385 37.609 38.000 -0.010 0.000 1.023 254 I HN -0.031 nan 8.210 nan 0.000 0.395 255 K N 1.082 121.471 120.400 -0.019 0.000 2.585 255 K HA -0.057 4.264 4.320 0.000 0.000 0.194 255 K C 1.775 178.364 176.600 -0.019 0.000 1.037 255 K CA 0.987 57.262 56.287 -0.019 0.000 0.964 255 K CB -0.033 32.453 32.500 -0.024 0.000 0.787 255 K HN 0.405 nan 8.250 nan 0.000 0.488 256 A N -0.146 122.663 122.820 -0.019 0.000 1.975 256 A HA -0.051 4.270 4.320 0.000 0.000 0.215 256 A C 1.940 179.518 177.584 -0.010 0.000 1.170 256 A CA 1.100 53.127 52.037 -0.016 0.000 0.656 256 A CB -0.631 18.358 19.000 -0.018 0.000 0.821 256 A HN 0.447 nan 8.150 nan 0.000 0.449 257 S N -0.094 115.602 115.700 -0.007 0.000 2.537 257 S HA 0.205 4.676 4.470 0.000 0.000 0.214 257 S C 1.303 175.903 174.600 -0.001 0.000 1.157 257 S CA 2.143 60.341 58.200 -0.003 0.000 1.500 257 S CB -0.567 62.633 63.200 0.000 0.000 1.050 257 S HN 1.482 nan 8.310 nan 0.000 0.387 258 G N -0.423 108.377 108.800 0.000 0.000 4.820 258 G HA2 0.475 4.435 3.960 0.000 0.000 0.223 258 G HA3 0.475 4.435 3.960 0.000 0.000 0.223 258 G C -0.356 174.545 174.900 0.003 0.000 1.029 258 G CA 0.122 45.223 45.100 0.001 0.000 1.144 258 G HN 0.914 nan 8.290 nan 0.000 0.618 259 A N 1.509 124.329 122.820 -0.000 0.000 2.621 259 A HA 0.511 4.831 4.320 0.000 0.000 0.329 259 A C 1.388 178.967 177.584 -0.008 0.000 1.458 259 A CA 0.059 52.096 52.037 0.001 0.000 1.052 259 A CB 0.067 19.066 19.000 -0.003 0.000 1.142 259 A HN 0.462 nan 8.150 nan 0.000 0.523 260 N N 2.150 120.846 118.700 -0.006 0.000 2.453 260 N HA -0.068 4.672 4.740 0.000 0.000 0.183 260 N C -0.191 175.299 175.510 -0.033 0.000 1.041 260 N CA 1.273 54.315 53.050 -0.014 0.000 0.900 260 N CB -0.008 38.473 38.487 -0.009 0.000 0.961 260 N HN 0.279 nan 8.380 nan 0.000 0.443 261 V N 0.401 120.295 119.914 -0.032 0.000 2.888 261 V HA 0.554 4.675 4.120 0.000 0.000 0.309 261 V C -1.116 174.924 176.094 -0.091 0.000 1.114 261 V CA -0.958 61.292 62.300 -0.083 0.000 0.940 261 V CB 2.242 34.078 31.823 0.021 0.000 1.021 261 V HN 0.172 nan 8.190 nan 0.000 0.426 262 L N 3.902 124.958 121.223 -0.278 0.000 2.526 262 L HA 0.689 5.030 4.340 0.000 0.000 0.263 262 L C -2.042 174.573 176.870 -0.424 0.000 0.943 262 L CA -0.143 54.588 54.840 -0.181 0.000 0.859 262 L CB 2.083 44.077 42.059 -0.108 0.000 1.313 262 L HN 0.570 nan 8.230 nan 0.000 0.406 263 F N 4.041 123.999 119.950 0.013 0.000 2.434 263 F HA 0.425 4.952 4.527 0.000 0.000 0.355 263 F C 0.074 175.880 175.800 0.010 0.000 1.115 263 F CA -0.769 57.238 58.000 0.011 0.000 1.010 263 F CB 1.252 40.258 39.000 0.009 0.000 1.234 263 F HN 0.469 nan 8.300 nan 0.000 0.439 264 C N 1.722 121.100 119.300 0.130 0.000 2.295 264 C HA 0.361 4.821 4.460 0.000 0.000 0.331 264 C C 1.644 176.681 174.990 0.078 0.000 1.280 264 C CA -0.800 58.269 59.018 0.084 0.000 1.746 264 C CB 0.854 28.621 27.740 0.045 0.000 2.328 264 C HN 1.052 nan 8.230 nan 0.000 0.521 265 Q N 2.193 122.032 119.800 0.065 0.000 2.325 265 Q HA -0.186 4.154 4.340 0.000 0.000 0.211 265 Q C 1.037 177.059 176.000 0.038 0.000 0.988 265 Q CA 1.597 57.428 55.803 0.047 0.000 0.887 265 Q CB 0.177 28.936 28.738 0.035 0.000 0.915 265 Q HN 0.883 nan 8.270 nan 0.000 0.440 266 K N -1.050 119.372 120.400 0.037 0.000 2.393 266 K HA 0.580 4.900 4.320 0.000 0.000 0.241 266 K C 0.203 176.821 176.600 0.029 0.000 1.055 266 K CA -0.339 55.965 56.287 0.029 0.000 0.951 266 K CB 0.573 33.087 32.500 0.023 0.000 1.285 266 K HN 0.044 nan 8.250 nan 0.000 0.500 267 G N 0.159 108.973 108.800 0.024 0.000 2.522 267 G HA2 0.587 4.547 3.960 0.000 0.000 0.304 267 G HA3 0.587 4.547 3.960 0.000 0.000 0.304 267 G C -0.449 174.464 174.900 0.021 0.000 1.210 267 G CA -1.040 44.073 45.100 0.022 0.000 0.960 267 G HN 0.470 nan 8.290 nan 0.000 0.497 268 I N 0.141 120.723 120.570 0.019 0.000 2.498 268 I HA 0.233 4.403 4.170 0.000 0.000 0.290 268 I C -0.651 175.479 176.117 0.022 0.000 1.032 268 I CA -0.741 60.572 61.300 0.021 0.000 1.073 268 I CB 2.185 40.195 38.000 0.017 0.000 1.251 268 I HN 0.440 nan 8.210 nan 0.000 0.426 269 D N 3.498 123.914 120.400 0.028 0.000 2.384 269 D HA 0.018 4.659 4.640 0.000 0.000 0.244 269 D C 0.759 177.073 176.300 0.022 0.000 1.251 269 D CA 0.198 54.213 54.000 0.025 0.000 0.961 269 D CB 0.940 41.757 40.800 0.029 0.000 1.116 269 D HN 0.560 nan 8.370 nan 0.000 0.484 270 D N 0.630 121.037 120.400 0.012 0.000 2.469 270 D HA -0.291 4.349 4.640 0.000 0.000 0.216 270 D C 1.927 178.227 176.300 0.000 0.000 1.104 270 D CA 1.127 55.127 54.000 0.001 0.000 0.950 270 D CB -0.909 39.886 40.800 -0.008 0.000 1.283 270 D HN 0.330 nan 8.370 nan 0.000 0.502 271 L N 0.158 121.372 121.223 -0.014 0.000 2.151 271 L HA -0.301 4.039 4.340 0.000 0.000 0.219 271 L C 2.050 178.931 176.870 0.019 0.000 1.083 271 L CA 2.551 57.373 54.840 -0.030 0.000 0.782 271 L CB -0.713 41.324 42.059 -0.038 0.000 0.891 271 L HN 0.223 nan 8.230 nan 0.000 0.439 272 A N -1.513 121.361 122.820 0.090 0.000 2.081 272 A HA -0.085 4.236 4.320 0.000 0.000 0.214 272 A C 1.988 179.638 177.584 0.110 0.000 1.158 272 A CA 0.782 52.912 52.037 0.155 0.000 0.724 272 A CB -0.341 18.733 19.000 0.123 0.000 0.826 272 A HN 0.681 nan 8.150 nan 0.000 0.463 273 Q N -0.405 119.432 119.800 0.061 0.000 2.050 273 Q HA -0.232 4.109 4.340 0.000 0.000 0.202 273 Q C 1.912 177.932 176.000 0.033 0.000 0.980 273 Q CA 1.997 57.825 55.803 0.041 0.000 0.840 273 Q CB -0.980 27.769 28.738 0.018 0.000 0.898 273 Q HN 0.788 nan 8.270 nan 0.000 0.424 274 H N -0.532 118.497 119.070 -0.068 0.000 2.319 274 H HA -0.184 4.372 4.556 0.000 0.000 0.299 274 H C 1.323 176.582 175.328 -0.114 0.000 1.092 274 H CA 1.926 57.898 56.048 -0.127 0.000 1.302 274 H CB -0.111 29.525 29.762 -0.210 0.000 1.373 274 H HN 0.354 nan 8.280 nan 0.000 0.497 275 Y N 0.880 121.127 120.300 -0.090 0.000 2.014 275 Y HA -0.282 4.268 4.550 0.000 0.000 0.272 275 Y C 3.010 178.847 175.900 -0.106 0.000 1.164 275 Y CA 1.146 59.188 58.100 -0.096 0.000 1.114 275 Y CB -0.827 37.620 38.460 -0.022 0.000 0.961 275 Y HN 0.202 nan 8.280 nan 0.000 0.489 276 L N -0.847 120.423 121.223 0.078 0.000 2.191 276 L HA -0.179 4.161 4.340 0.000 0.000 0.212 276 L C 2.398 179.252 176.870 -0.027 0.000 1.103 276 L CA 1.823 56.672 54.840 0.015 0.000 0.769 276 L CB -1.942 40.118 42.059 0.001 0.000 0.908 276 L HN 0.303 nan 8.230 nan 0.000 0.438 277 A N -1.089 121.697 122.820 -0.057 0.000 2.072 277 A HA -0.111 4.209 4.320 0.000 0.000 0.216 277 A C 2.408 179.929 177.584 -0.105 0.000 1.156 277 A CA 0.738 52.728 52.037 -0.078 0.000 0.701 277 A CB -0.134 18.822 19.000 -0.074 0.000 0.816 277 A HN 0.223 nan 8.150 nan 0.000 0.458 278 K N -0.527 119.786 120.400 -0.144 0.000 2.211 278 K HA -0.011 4.309 4.320 0.000 0.000 0.201 278 K C 1.573 178.141 176.600 -0.054 0.000 1.052 278 K CA 1.074 57.274 56.287 -0.145 0.000 0.973 278 K CB 0.138 32.505 32.500 -0.220 0.000 0.766 278 K HN 0.580 nan 8.250 nan 0.000 0.466 279 E N -1.373 118.808 120.200 -0.031 0.000 2.086 279 E HA 0.008 4.358 4.350 0.000 0.000 0.190 279 E C 1.270 177.858 176.600 -0.020 0.000 0.975 279 E CA 1.007 57.396 56.400 -0.018 0.000 0.813 279 E CB 0.422 30.114 29.700 -0.013 0.000 0.768 279 E HN 0.418 nan 8.360 nan 0.000 0.457 280 G N -0.040 108.745 108.800 -0.025 0.000 4.003 280 G HA2 -0.077 3.884 3.960 0.000 0.000 0.204 280 G HA3 -0.077 3.884 3.960 0.000 0.000 0.204 280 G C -0.101 174.783 174.900 -0.027 0.000 1.077 280 G CA -0.536 44.551 45.100 -0.022 0.000 0.872 280 G HN 0.034 nan 8.290 nan 0.000 0.350 281 I N 4.377 124.928 120.570 -0.031 0.000 2.483 281 I HA 0.247 4.417 4.170 0.000 0.000 0.291 281 I C 1.583 177.665 176.117 -0.059 0.000 1.112 281 I CA -0.169 61.106 61.300 -0.042 0.000 1.350 281 I CB 0.435 38.413 38.000 -0.036 0.000 1.419 281 I HN 0.255 nan 8.210 nan 0.000 0.523 282 V N 4.465 124.333 119.914 -0.077 0.000 3.376 282 V HA 0.751 4.871 4.120 0.000 0.000 0.303 282 V C 0.329 176.327 176.094 -0.160 0.000 1.100 282 V CA -0.475 61.759 62.300 -0.110 0.000 1.126 282 V CB 1.213 32.961 31.823 -0.124 0.000 1.085 282 V HN 0.902 nan 8.190 nan 0.000 0.480 283 A N 1.651 124.360 122.820 -0.185 0.000 2.582 283 A HA 0.880 5.200 4.320 0.000 0.000 0.297 283 A C -0.554 176.911 177.584 -0.198 0.000 1.059 283 A CA -0.252 51.654 52.037 -0.217 0.000 0.705 283 A CB 1.129 20.063 19.000 -0.110 0.000 1.279 283 A HN 2.444 nan 8.150 nan 0.000 0.404 284 A N 1.650 124.342 122.820 -0.214 0.000 2.335 284 A HA 0.808 5.128 4.320 0.000 0.000 0.304 284 A C -0.144 177.450 177.584 0.017 0.000 1.118 284 A CA -0.478 51.521 52.037 -0.063 0.000 0.757 284 A CB 0.787 19.825 19.000 0.063 0.000 1.188 284 A HN 1.617 nan 8.150 nan 0.000 0.460 285 R N 1.425 121.942 120.500 0.028 0.000 2.598 285 R HA 0.700 5.040 4.340 0.000 0.000 0.279 285 R C 0.010 176.338 176.300 0.046 0.000 0.984 285 R CA -0.463 55.657 56.100 0.033 0.000 0.999 285 R CB 0.479 30.790 30.300 0.018 0.000 1.114 285 R HN 0.543 nan 8.270 nan 0.000 0.493 286 R N 0.421 120.945 120.500 0.041 0.000 3.701 286 R HA -0.133 4.207 4.340 0.000 0.000 0.276 286 R C -0.678 175.650 176.300 0.048 0.000 1.150 286 R CA 1.086 57.209 56.100 0.039 0.000 0.763 286 R CB -2.269 28.048 30.300 0.028 0.000 1.147 286 R HN 0.462 nan 8.270 nan 0.000 0.489 287 V N 1.878 121.834 119.914 0.070 0.000 2.479 287 V HA 0.015 4.135 4.120 0.000 0.000 0.281 287 V C 1.188 177.310 176.094 0.046 0.000 1.031 287 V CA -0.064 62.282 62.300 0.077 0.000 1.038 287 V CB 0.755 32.666 31.823 0.147 0.000 0.981 287 V HN 0.136 nan 8.190 nan 0.000 0.478 288 K N 3.810 124.224 120.400 0.023 0.000 2.219 288 K HA 0.153 4.474 4.320 0.000 0.000 0.258 288 K C 1.103 177.705 176.600 0.004 0.000 1.008 288 K CA -0.536 55.759 56.287 0.012 0.000 0.928 288 K CB 0.971 33.474 32.500 0.005 0.000 0.983 288 K HN 0.458 nan 8.250 nan 0.000 0.484 289 K N 1.085 121.486 120.400 0.003 0.000 2.108 289 K HA -0.321 4.000 4.320 0.000 0.000 0.219 289 K C 2.240 178.831 176.600 -0.014 0.000 1.054 289 K CA 2.386 58.671 56.287 -0.002 0.000 0.945 289 K CB -0.323 32.177 32.500 0.001 0.000 0.728 289 K HN 0.558 nan 8.250 nan 0.000 0.462 290 S N 0.305 115.994 115.700 -0.018 0.000 2.372 290 S HA -0.197 4.273 4.470 0.000 0.000 0.227 290 S C 1.317 175.890 174.600 -0.045 0.000 1.044 290 S CA 1.973 60.156 58.200 -0.029 0.000 1.050 290 S CB -0.414 62.770 63.200 -0.027 0.000 0.901 290 S HN 0.357 nan 8.310 nan 0.000 0.447 291 D N 0.253 120.623 120.400 -0.051 0.000 2.264 291 D HA -0.012 4.628 4.640 0.000 0.000 0.208 291 D C 1.856 178.093 176.300 -0.105 0.000 0.966 291 D CA 0.539 54.485 54.000 -0.090 0.000 0.864 291 D CB -0.145 40.599 40.800 -0.094 0.000 0.933 291 D HN 0.285 nan 8.370 nan 0.000 0.499 292 M N 0.380 119.943 119.600 -0.061 0.000 2.066 292 M HA -0.115 4.365 4.480 0.000 0.000 0.259 292 M C 1.890 178.162 176.300 -0.047 0.000 1.074 292 M CA 1.555 56.831 55.300 -0.041 0.000 1.114 292 M CB -1.101 31.496 32.600 -0.006 0.000 1.306 292 M HN 0.015 nan 8.290 nan 0.000 0.411 293 E N -0.079 120.098 120.200 -0.038 0.000 2.338 293 E HA -0.157 4.193 4.350 0.000 0.000 0.197 293 E C 1.744 178.317 176.600 -0.046 0.000 1.007 293 E CA 0.855 57.236 56.400 -0.032 0.000 0.849 293 E CB -0.097 29.592 29.700 -0.019 0.000 0.774 293 E HN 0.557 nan 8.360 nan 0.000 0.506 294 K N 1.018 121.377 120.400 -0.068 0.000 1.992 294 K HA -0.048 4.272 4.320 0.000 0.000 0.210 294 K C 2.076 178.610 176.600 -0.109 0.000 1.036 294 K CA 0.951 57.184 56.287 -0.089 0.000 0.946 294 K CB -0.626 31.827 32.500 -0.079 0.000 0.742 294 K HN -0.057 nan 8.250 nan 0.000 0.442 295 L N 1.793 122.915 121.223 -0.168 0.000 2.058 295 L HA -0.358 3.983 4.340 0.000 0.000 0.226 295 L C 2.765 179.574 176.870 -0.101 0.000 1.089 295 L CA 1.812 56.530 54.840 -0.203 0.000 0.799 295 L CB -1.350 40.466 42.059 -0.405 0.000 0.900 295 L HN 0.373 nan 8.230 nan 0.000 0.442 296 A N 0.453 123.237 122.820 -0.060 0.000 1.894 296 A HA -0.365 3.956 4.320 0.000 0.000 0.220 296 A C 2.302 179.887 177.584 0.002 0.000 1.237 296 A CA 2.889 54.917 52.037 -0.015 0.000 0.660 296 A CB -0.788 18.210 19.000 -0.003 0.000 0.835 296 A HN 0.528 nan 8.150 nan 0.000 0.461 297 K N -0.150 120.240 120.400 -0.017 0.000 2.071 297 K HA -0.205 4.115 4.320 0.000 0.000 0.217 297 K C 2.149 178.726 176.600 -0.039 0.000 1.054 297 K CA 1.696 57.964 56.287 -0.032 0.000 0.937 297 K CB -0.711 31.757 32.500 -0.054 0.000 0.719 297 K HN 0.563 nan 8.250 nan 0.000 0.454 298 A N 1.139 123.929 122.820 -0.049 0.000 2.279 298 A HA -0.247 4.073 4.320 0.000 0.000 0.190 298 A C 2.136 179.716 177.584 -0.007 0.000 1.210 298 A CA 2.860 54.873 52.037 -0.041 0.000 0.768 298 A CB -1.744 17.217 19.000 -0.065 0.000 0.887 298 A HN 0.569 nan 8.150 nan 0.000 0.530 299 T N -2.547 112.006 114.554 -0.002 0.000 1.967 299 T HA -0.174 4.177 4.350 0.000 0.000 0.153 299 T C 1.800 176.529 174.700 0.048 0.000 1.769 299 T CA 3.791 65.906 62.100 0.025 0.000 0.890 299 T CB -1.492 67.400 68.868 0.039 0.000 0.771 299 T HN 2.597 nan 8.240 nan 0.000 0.429 300 G N 0.365 109.197 108.800 0.053 0.000 2.240 300 G HA2 0.451 4.411 3.960 0.000 0.000 0.181 300 G HA3 0.451 4.411 3.960 0.000 0.000 0.181 300 G C 0.111 175.053 174.900 0.071 0.000 1.028 300 G CA 0.557 45.712 45.100 0.092 0.000 0.760 300 G HN 1.515 nan 8.290 nan 0.000 0.508 301 A N -0.179 122.671 122.820 0.050 0.000 2.252 301 A HA 0.843 5.163 4.320 0.000 0.000 0.305 301 A C -0.000 177.603 177.584 0.033 0.000 1.097 301 A CA -0.316 51.744 52.037 0.038 0.000 0.849 301 A CB 0.644 19.667 19.000 0.039 0.000 1.142 301 A HN 0.465 nan 8.150 nan 0.000 0.499 302 N N -0.797 117.919 118.700 0.026 0.000 2.410 302 N HA 0.399 5.139 4.740 0.000 0.000 0.287 302 N C -0.760 174.762 175.510 0.020 0.000 1.044 302 N CA -0.602 52.462 53.050 0.022 0.000 0.881 302 N CB 2.145 40.642 38.487 0.017 0.000 1.405 302 N HN 0.607 nan 8.380 nan 0.000 0.490 303 V N 3.620 123.545 119.914 0.018 0.000 2.539 303 V HA 0.124 4.244 4.120 0.000 0.000 0.300 303 V C 0.024 176.129 176.094 0.018 0.000 1.019 303 V CA 0.071 62.382 62.300 0.018 0.000 1.160 303 V CB -0.845 30.986 31.823 0.013 0.000 0.901 303 V HN 0.615 nan 8.190 nan 0.000 0.481 304 I N 3.944 124.527 120.570 0.023 0.000 2.441 304 I HA 0.608 4.778 4.170 0.000 0.000 0.295 304 I C 1.250 177.379 176.117 0.019 0.000 0.994 304 I CA -0.122 61.190 61.300 0.019 0.000 1.144 304 I CB 1.664 39.675 38.000 0.019 0.000 1.314 304 I HN 0.749 nan 8.210 nan 0.000 0.445 305 T N 2.503 117.066 114.554 0.016 0.000 2.294 305 T HA -0.245 4.106 4.350 0.000 0.000 0.221 305 T C 1.054 175.764 174.700 0.018 0.000 1.526 305 T CA 1.489 63.598 62.100 0.015 0.000 1.180 305 T CB -0.727 68.148 68.868 0.012 0.000 0.859 305 T HN 0.773 nan 8.240 nan 0.000 0.400 306 N N 0.795 119.505 118.700 0.016 0.000 2.364 306 N HA 0.143 4.883 4.740 0.000 0.000 0.264 306 N C 1.301 176.823 175.510 0.021 0.000 1.263 306 N CA -0.359 52.701 53.050 0.017 0.000 0.959 306 N CB 0.734 39.229 38.487 0.013 0.000 1.204 306 N HN 0.270 nan 8.380 nan 0.000 0.550 307 I N 2.160 122.742 120.570 0.021 0.000 2.044 307 I HA -0.299 3.871 4.170 0.000 0.000 0.234 307 I C 2.249 178.375 176.117 0.015 0.000 1.031 307 I CA 1.998 63.310 61.300 0.020 0.000 1.305 307 I CB -1.213 36.798 38.000 0.018 0.000 1.026 307 I HN 0.832 nan 8.210 nan 0.000 0.392 308 K N -0.201 120.206 120.400 0.011 0.000 2.259 308 K HA -0.297 4.023 4.320 0.000 0.000 0.206 308 K C 1.642 178.245 176.600 0.006 0.000 1.044 308 K CA 2.259 58.550 56.287 0.007 0.000 0.931 308 K CB -0.877 31.627 32.500 0.006 0.000 0.726 308 K HN 0.488 nan 8.250 nan 0.000 0.467 309 D N 0.743 121.149 120.400 0.009 0.000 2.277 309 D HA 0.003 4.644 4.640 0.000 0.000 0.208 309 D C 0.518 176.823 176.300 0.009 0.000 0.962 309 D CA 0.127 54.132 54.000 0.008 0.000 0.865 309 D CB -0.118 40.688 40.800 0.010 0.000 0.939 309 D HN 0.127 nan 8.370 nan 0.000 0.510 310 L N 0.326 121.556 121.223 0.012 0.000 2.506 310 L HA 0.088 4.429 4.340 0.000 0.000 0.281 310 L C 0.010 176.886 176.870 0.010 0.000 1.228 310 L CA 0.831 55.680 54.840 0.014 0.000 0.850 310 L CB 0.653 42.722 42.059 0.015 0.000 1.110 310 L HN -0.207 nan 8.230 nan 0.000 0.496 311 S N 0.778 116.485 115.700 0.012 0.000 2.686 311 S HA 0.514 4.984 4.470 0.000 0.000 0.273 311 S C 0.303 174.910 174.600 0.012 0.000 1.060 311 S CA -0.209 57.996 58.200 0.008 0.000 0.845 311 S CB 0.835 64.039 63.200 0.007 0.000 1.086 311 S HN 0.838 nan 8.310 nan 0.000 0.461 312 A N 0.900 123.725 122.820 0.009 0.000 1.930 312 A HA -0.023 4.297 4.320 0.000 0.000 0.215 312 A C 1.671 179.261 177.584 0.011 0.000 1.176 312 A CA 1.770 53.813 52.037 0.009 0.000 0.632 312 A CB -0.684 18.320 19.000 0.006 0.000 0.819 312 A HN 0.710 nan 8.150 nan 0.000 0.445 313 Q N 0.881 120.686 119.800 0.009 0.000 1.806 313 Q HA -0.029 4.311 4.340 0.000 0.000 0.277 313 Q C 1.275 177.280 176.000 0.009 0.000 0.993 313 Q CA 1.705 57.512 55.803 0.006 0.000 0.888 313 Q CB -0.850 27.890 28.738 0.002 0.000 0.941 313 Q HN 0.734 nan 8.270 nan 0.000 0.420 314 D N 0.514 120.920 120.400 0.011 0.000 4.325 314 D HA -0.351 4.289 4.640 0.000 0.000 0.358 314 D C -0.547 175.769 176.300 0.026 0.000 0.492 314 D CA 2.267 56.277 54.000 0.017 0.000 1.313 314 D CB -1.219 39.590 40.800 0.016 0.000 0.677 314 D HN 0.585 nan 8.370 nan 0.000 0.315 315 L N -2.896 118.347 121.223 0.033 0.000 1.990 315 L HA 0.272 4.612 4.340 0.000 0.000 0.618 315 L C 0.273 177.165 176.870 0.037 0.000 1.001 315 L CA -0.162 54.698 54.840 0.035 0.000 1.310 315 L CB -1.955 40.127 42.059 0.039 0.000 2.076 315 L HN 0.865 nan 8.230 nan 0.000 1.017 316 G N 0.773 109.602 108.800 0.049 0.000 2.601 316 G HA2 0.705 4.665 3.960 0.000 0.000 0.317 316 G HA3 0.705 4.665 3.960 0.000 0.000 0.317 316 G C -1.354 173.574 174.900 0.048 0.000 1.246 316 G CA -0.255 44.875 45.100 0.051 0.000 1.012 316 G HN 0.590 nan 8.290 nan 0.000 0.494 317 D N -0.151 120.278 120.400 0.048 0.000 2.549 317 D HA 0.604 5.244 4.640 0.000 0.000 0.251 317 D C -0.739 175.591 176.300 0.051 0.000 1.153 317 D CA -0.027 54.001 54.000 0.045 0.000 0.861 317 D CB 1.655 42.476 40.800 0.035 0.000 1.207 317 D HN 0.560 nan 8.370 nan 0.000 0.543 318 A N 1.710 124.563 122.820 0.055 0.000 2.429 318 A HA 0.576 4.896 4.320 0.000 0.000 0.289 318 A C 1.019 178.635 177.584 0.054 0.000 1.043 318 A CA -0.375 51.697 52.037 0.058 0.000 0.722 318 A CB 1.450 20.496 19.000 0.076 0.000 1.243 318 A HN 0.454 nan 8.150 nan 0.000 0.415 319 G N 0.473 109.301 108.800 0.046 0.000 2.501 319 G HA2 0.248 4.208 3.960 0.000 0.000 0.220 319 G HA3 0.248 4.208 3.960 0.000 0.000 0.220 319 G C 0.178 175.103 174.900 0.041 0.000 1.114 319 G CA 1.409 46.532 45.100 0.039 0.000 0.757 319 G HN 0.857 nan 8.290 nan 0.000 0.559 320 L N -0.852 120.404 121.223 0.054 0.000 2.666 320 L HA 0.409 4.749 4.340 0.000 0.000 0.259 320 L C -1.365 175.559 176.870 0.090 0.000 0.919 320 L CA -0.408 54.464 54.840 0.055 0.000 0.927 320 L CB 2.492 44.575 42.059 0.041 0.000 1.423 320 L HN -0.165 nan 8.230 nan 0.000 0.426 321 V N 2.853 122.822 119.914 0.093 0.000 2.439 321 V HA 0.502 4.622 4.120 0.000 0.000 0.277 321 V C -0.475 175.685 176.094 0.110 0.000 1.008 321 V CA -0.550 61.831 62.300 0.136 0.000 0.846 321 V CB 1.455 33.371 31.823 0.154 0.000 1.031 321 V HN 0.719 nan 8.190 nan 0.000 0.441 322 E N 2.667 122.939 120.200 0.121 0.000 2.187 322 E HA 0.352 4.702 4.350 0.000 0.000 0.268 322 E C -0.506 176.176 176.600 0.136 0.000 0.896 322 E CA -0.600 55.844 56.400 0.073 0.000 0.766 322 E CB 1.650 31.344 29.700 -0.011 0.000 1.142 322 E HN 0.692 nan 8.360 nan 0.000 0.408 323 E N 4.850 125.115 120.200 0.108 0.000 2.003 323 E HA 0.091 4.441 4.350 0.000 0.000 0.279 323 E C -0.831 175.826 176.600 0.094 0.000 1.132 323 E CA -0.055 56.423 56.400 0.130 0.000 0.888 323 E CB 0.418 30.169 29.700 0.086 0.000 1.056 323 E HN 0.355 nan 8.360 nan 0.000 0.399 324 R N 3.248 123.828 120.500 0.134 0.000 2.393 324 R HA 0.169 4.509 4.340 0.000 0.000 0.310 324 R C -0.279 176.093 176.300 0.120 0.000 0.968 324 R CA -0.684 55.445 56.100 0.049 0.000 0.867 324 R CB 1.301 31.504 30.300 -0.162 0.000 1.124 324 R HN 0.341 nan 8.270 nan 0.000 0.450 325 K N 3.854 124.292 120.400 0.065 0.000 2.297 325 K HA 0.271 4.591 4.320 0.000 0.000 0.286 325 K C -0.692 175.956 176.600 0.080 0.000 1.053 325 K CA -0.101 56.226 56.287 0.066 0.000 0.940 325 K CB 0.789 33.311 32.500 0.037 0.000 1.019 325 K HN 0.511 nan 8.250 nan 0.000 0.475 326 I N 4.102 124.731 120.570 0.098 0.000 2.545 326 I HA 0.120 4.290 4.170 0.000 0.000 0.292 326 I C -0.047 176.108 176.117 0.064 0.000 1.040 326 I CA 0.024 61.383 61.300 0.098 0.000 1.068 326 I CB 1.855 39.952 38.000 0.163 0.000 1.251 326 I HN 1.169 nan 8.210 nan 0.000 0.424 327 S N 4.718 120.447 115.700 0.048 0.000 3.143 327 S HA -0.180 4.290 4.470 0.000 0.000 0.291 327 S C 0.482 175.099 174.600 0.029 0.000 1.294 327 S CA 1.442 59.663 58.200 0.035 0.000 1.115 327 S CB -2.002 61.219 63.200 0.035 0.000 1.318 327 S HN 2.479 nan 8.310 nan 0.000 0.685 328 G N -0.016 108.802 108.800 0.031 0.000 3.177 328 G HA2 0.302 4.262 3.960 0.000 0.000 0.682 328 G HA3 0.302 4.262 3.960 0.000 0.000 0.682 328 G C -0.501 174.419 174.900 0.034 0.000 1.002 328 G CA 0.287 45.404 45.100 0.029 0.000 0.910 328 G HN 1.720 nan 8.290 nan 0.000 0.538 329 D N -0.765 119.658 120.400 0.038 0.000 10.681 329 D HA 0.080 4.720 4.640 0.000 0.000 0.289 329 D C 0.242 176.578 176.300 0.059 0.000 3.080 329 D CA 0.400 54.425 54.000 0.042 0.000 2.902 329 D CB -0.929 39.892 40.800 0.036 0.000 1.440 329 D HN 1.413 nan 8.370 nan 0.000 0.933 330 S N 1.054 116.788 115.700 0.057 0.000 2.499 330 S HA 0.846 5.317 4.470 0.000 0.000 0.279 330 S C 0.226 174.879 174.600 0.089 0.000 1.219 330 S CA -0.660 57.585 58.200 0.074 0.000 1.062 330 S CB 1.286 64.527 63.200 0.069 0.000 0.978 330 S HN 0.390 nan 8.310 nan 0.000 0.489 331 M N 2.539 122.221 119.600 0.136 0.000 2.470 331 M HA 0.427 4.908 4.480 0.000 0.000 0.285 331 M C -1.185 175.230 176.300 0.191 0.000 1.213 331 M CA -0.498 54.870 55.300 0.113 0.000 0.901 331 M CB 2.181 34.803 32.600 0.037 0.000 1.718 331 M HN 0.535 nan 8.290 nan 0.000 0.469 332 I N 2.611 123.269 120.570 0.146 0.000 2.379 332 I HA 0.218 4.388 4.170 0.000 0.000 0.290 332 I C -0.947 175.270 176.117 0.167 0.000 1.063 332 I CA 0.089 61.522 61.300 0.222 0.000 1.351 332 I CB 0.126 38.315 38.000 0.315 0.000 1.410 332 I HN 0.427 nan 8.210 nan 0.000 0.505 333 F N 5.693 125.693 119.950 0.083 0.000 2.399 333 F HA 0.482 5.009 4.527 0.000 0.000 0.328 333 F C 0.327 176.164 175.800 0.061 0.000 1.084 333 F CA -0.605 57.424 58.000 0.048 0.000 1.053 333 F CB 1.675 40.696 39.000 0.036 0.000 1.209 333 F HN 0.008 nan 8.300 nan 0.000 0.502 334 V N 1.569 121.589 119.914 0.176 0.000 2.670 334 V HA 0.217 4.337 4.120 0.000 0.000 0.258 334 V C -0.783 175.363 176.094 0.086 0.000 0.906 334 V CA -0.890 61.480 62.300 0.116 0.000 0.887 334 V CB 0.226 32.079 31.823 0.050 0.000 1.059 334 V HN 0.747 nan 8.190 nan 0.000 0.484 335 E N 2.036 122.305 120.200 0.114 0.000 2.222 335 E HA 0.665 5.016 4.350 0.000 0.000 0.272 335 E C 0.291 176.928 176.600 0.062 0.000 0.982 335 E CA -0.499 55.954 56.400 0.089 0.000 0.842 335 E CB 1.846 31.614 29.700 0.113 0.000 1.144 335 E HN 0.409 nan 8.360 nan 0.000 0.397 336 E N 0.831 121.060 120.200 0.048 0.000 2.702 336 E HA -0.154 4.196 4.350 0.000 0.000 0.292 336 E C -1.208 175.415 176.600 0.038 0.000 0.987 336 E CA 0.050 56.472 56.400 0.038 0.000 0.887 336 E CB -1.794 27.925 29.700 0.031 0.000 1.417 336 E HN 0.666 nan 8.360 nan 0.000 0.403 337 C N 1.582 120.903 119.300 0.035 0.000 2.642 337 C HA 0.086 4.547 4.460 0.000 0.000 0.420 337 C C 1.901 176.915 174.990 0.039 0.000 1.349 337 C CA 0.262 59.300 59.018 0.034 0.000 1.821 337 C CB 0.911 28.664 27.740 0.021 0.000 2.637 337 C HN 0.417 nan 8.230 nan 0.000 0.605 338 K N 1.725 122.159 120.400 0.056 0.000 2.021 338 K HA -0.080 4.240 4.320 0.000 0.000 0.205 338 K C 1.394 178.060 176.600 0.109 0.000 1.047 338 K CA 1.459 57.787 56.287 0.068 0.000 0.943 338 K CB -0.166 32.379 32.500 0.075 0.000 0.725 338 K HN 0.922 nan 8.250 nan 0.000 0.439 339 H N 1.124 120.197 119.070 0.004 0.000 2.492 339 H HA 0.240 4.796 4.556 0.000 0.000 0.264 339 H C -2.297 173.030 175.328 -0.001 0.000 1.150 339 H CA -1.295 54.754 56.048 0.002 0.000 0.962 339 H CB 0.466 30.229 29.762 0.002 0.000 1.766 339 H HN 0.038 nan 8.280 nan 0.000 0.589 340 P HA 0.027 nan 4.420 nan 0.000 0.257 340 P C -0.220 176.933 177.300 -0.245 0.000 1.227 340 P CA -0.077 62.932 63.100 -0.152 0.000 0.981 340 P CB 0.327 31.986 31.700 -0.069 0.000 1.044 341 K N 2.289 122.486 120.400 -0.339 0.000 2.551 341 K HA 0.340 4.660 4.320 0.000 0.000 0.192 341 K C 0.731 177.251 176.600 -0.133 0.000 1.027 341 K CA 0.243 56.383 56.287 -0.245 0.000 1.059 341 K CB 0.093 32.442 32.500 -0.252 0.000 0.831 341 K HN 0.469 nan 8.250 nan 0.000 0.508 342 A N 0.323 123.076 122.820 -0.111 0.000 2.599 342 A HA 0.232 4.552 4.320 0.000 0.000 0.300 342 A C -1.343 176.199 177.584 -0.070 0.000 1.151 342 A CA -0.719 51.272 52.037 -0.077 0.000 0.883 342 A CB 0.502 19.461 19.000 -0.069 0.000 1.480 342 A HN 0.010 nan 8.150 nan 0.000 0.401 343 V N 2.740 122.618 119.914 -0.059 0.000 2.498 343 V HA 0.581 4.701 4.120 0.000 0.000 0.279 343 V C 0.353 176.418 176.094 -0.048 0.000 1.048 343 V CA 0.483 62.755 62.300 -0.047 0.000 0.967 343 V CB 1.419 33.219 31.823 -0.038 0.000 0.988 343 V HN 0.857 nan 8.190 nan 0.000 0.473 344 T N 8.307 122.829 114.554 -0.052 0.000 2.845 344 T HA 0.386 4.736 4.350 0.000 0.000 0.288 344 T C -0.045 174.631 174.700 -0.041 0.000 0.980 344 T CA -0.250 61.815 62.100 -0.058 0.000 1.071 344 T CB 1.000 69.815 68.868 -0.088 0.000 0.941 344 T HN 0.697 nan 8.240 nan 0.000 0.487 345 M N 4.295 123.873 119.600 -0.037 0.000 2.325 345 M HA 0.354 4.834 4.480 0.000 0.000 0.305 345 M C -0.393 175.895 176.300 -0.020 0.000 1.047 345 M CA -0.600 54.688 55.300 -0.020 0.000 0.981 345 M CB 0.192 32.781 32.600 -0.018 0.000 1.307 345 M HN 0.578 nan 8.290 nan 0.000 0.418 346 L N 4.693 125.906 121.223 -0.016 0.000 2.862 346 L HA -0.103 4.237 4.340 0.000 0.000 0.297 346 L C -1.084 175.792 176.870 0.010 0.000 1.190 346 L CA 1.030 55.870 54.840 -0.000 0.000 0.902 346 L CB 0.063 42.150 42.059 0.046 0.000 1.236 346 L HN 0.589 nan 8.230 nan 0.000 0.485 347 I N 5.634 126.208 120.570 0.008 0.000 2.410 347 I HA 0.419 4.589 4.170 0.000 0.000 0.286 347 I C -0.152 175.978 176.117 0.021 0.000 1.009 347 I CA -0.792 60.515 61.300 0.012 0.000 1.111 347 I CB 1.347 39.350 38.000 0.004 0.000 1.262 347 I HN 0.472 nan 8.210 nan 0.000 0.443 348 R N 3.930 124.445 120.500 0.026 0.000 2.536 348 R HA 0.863 5.204 4.340 0.000 0.000 0.279 348 R C 0.338 176.653 176.300 0.025 0.000 1.001 348 R CA -0.480 55.638 56.100 0.029 0.000 1.027 348 R CB 1.822 32.141 30.300 0.033 0.000 1.096 348 R HN 0.948 nan 8.270 nan 0.000 0.502 349 G N -0.314 108.501 108.800 0.026 0.000 2.609 349 G HA2 -0.092 3.868 3.960 0.000 0.000 0.082 349 G HA3 -0.092 3.868 3.960 0.000 0.000 0.082 349 G C 0.515 175.430 174.900 0.025 0.000 1.075 349 G CA 0.180 45.295 45.100 0.024 0.000 1.172 349 G HN 0.418 nan 8.290 nan 0.000 0.532 350 T N -1.454 113.116 114.554 0.028 0.000 2.643 350 T HA 0.270 4.621 4.350 0.000 0.000 0.256 350 T C 1.553 176.265 174.700 0.020 0.000 1.061 350 T CA 2.528 64.642 62.100 0.024 0.000 1.163 350 T CB -0.483 68.401 68.868 0.027 0.000 0.865 350 T HN 0.821 nan 8.240 nan 0.000 0.407 351 T N -0.286 114.283 114.554 0.025 0.000 2.442 351 T HA 0.263 4.613 4.350 0.000 0.000 0.196 351 T C 0.841 175.568 174.700 0.045 0.000 0.744 351 T CA -0.108 62.004 62.100 0.020 0.000 1.320 351 T CB 0.576 69.440 68.868 -0.007 0.000 1.899 351 T HN 0.329 nan 8.240 nan 0.000 0.464 352 E N -0.052 120.177 120.200 0.048 0.000 2.058 352 E HA -0.150 4.200 4.350 0.000 0.000 0.194 352 E C 1.924 178.627 176.600 0.171 0.000 0.997 352 E CA 1.665 58.122 56.400 0.095 0.000 0.801 352 E CB -0.236 29.503 29.700 0.064 0.000 0.746 352 E HN 0.565 nan 8.360 nan 0.000 0.450 353 H N 0.056 119.127 119.070 0.003 0.000 2.267 353 H HA -0.104 4.452 4.556 0.000 0.000 0.302 353 H C 2.591 177.921 175.328 0.004 0.000 1.056 353 H CA 0.998 57.048 56.048 0.003 0.000 1.269 353 H CB -0.517 29.247 29.762 0.004 0.000 1.385 353 H HN 0.068 nan 8.280 nan 0.000 0.501 354 V N 1.601 121.591 119.914 0.127 0.000 2.277 354 V HA -0.368 3.752 4.120 0.000 0.000 0.261 354 V C 2.030 178.149 176.094 0.042 0.000 1.091 354 V CA 2.647 64.984 62.300 0.063 0.000 1.090 354 V CB -0.793 31.057 31.823 0.045 0.000 0.704 354 V HN 0.400 nan 8.190 nan 0.000 0.455 355 I N 0.362 120.960 120.570 0.047 0.000 2.339 355 I HA -0.105 4.065 4.170 0.000 0.000 0.245 355 I C 2.625 178.749 176.117 0.012 0.000 1.096 355 I CA 1.478 62.793 61.300 0.026 0.000 1.408 355 I CB -0.743 37.274 38.000 0.027 0.000 1.092 355 I HN 0.516 nan 8.210 nan 0.000 0.423 356 E N 1.664 121.871 120.200 0.012 0.000 2.070 356 E HA -0.322 4.028 4.350 0.000 0.000 0.197 356 E C 1.842 178.421 176.600 -0.035 0.000 1.004 356 E CA 1.675 58.066 56.400 -0.015 0.000 0.805 356 E CB -0.457 29.235 29.700 -0.014 0.000 0.744 356 E HN 0.475 nan 8.360 nan 0.000 0.451 357 E N 0.862 121.040 120.200 -0.037 0.000 2.055 357 E HA -0.231 4.119 4.350 0.000 0.000 0.209 357 E C 1.985 178.575 176.600 -0.017 0.000 1.036 357 E CA 2.137 58.518 56.400 -0.031 0.000 0.849 357 E CB -0.136 29.543 29.700 -0.035 0.000 0.767 357 E HN 0.151 nan 8.360 nan 0.000 0.461 358 V N 0.673 120.583 119.914 -0.006 0.000 3.510 358 V HA -0.060 4.060 4.120 0.000 0.000 0.270 358 V C 1.861 177.949 176.094 -0.009 0.000 1.201 358 V CA 0.926 63.223 62.300 -0.004 0.000 1.166 358 V CB -0.454 31.371 31.823 0.003 0.000 0.825 358 V HN 0.449 nan 8.190 nan 0.000 0.484 359 A N 0.679 123.491 122.820 -0.013 0.000 1.883 359 A HA -0.252 4.068 4.320 0.000 0.000 0.217 359 A C 2.409 179.980 177.584 -0.021 0.000 1.186 359 A CA 2.097 54.123 52.037 -0.018 0.000 0.624 359 A CB -0.356 18.633 19.000 -0.020 0.000 0.822 359 A HN 0.498 nan 8.150 nan 0.000 0.444 360 R N -1.253 119.232 120.500 -0.024 0.000 2.090 360 R HA 0.177 4.517 4.340 0.000 0.000 0.219 360 R C 2.436 178.724 176.300 -0.019 0.000 1.100 360 R CA 0.889 56.974 56.100 -0.025 0.000 0.991 360 R CB -0.320 29.960 30.300 -0.033 0.000 0.893 360 R HN 0.474 nan 8.270 nan 0.000 0.443 361 A N 0.467 123.277 122.820 -0.016 0.000 2.019 361 A HA -0.116 4.205 4.320 0.000 0.000 0.219 361 A C 2.131 179.710 177.584 -0.009 0.000 1.164 361 A CA 1.343 53.374 52.037 -0.010 0.000 0.644 361 A CB -0.452 18.544 19.000 -0.006 0.000 0.805 361 A HN 0.234 nan 8.150 nan 0.000 0.449 362 V N -0.442 119.466 119.914 -0.010 0.000 2.591 362 V HA -0.109 4.011 4.120 0.000 0.000 0.249 362 V C 1.741 177.827 176.094 -0.014 0.000 1.053 362 V CA 2.448 64.741 62.300 -0.011 0.000 1.068 362 V CB -0.403 31.413 31.823 -0.011 0.000 0.689 362 V HN 0.484 nan 8.190 nan 0.000 0.462 363 D N -0.018 120.372 120.400 -0.016 0.000 2.162 363 D HA -0.081 4.559 4.640 0.000 0.000 0.203 363 D C 1.861 178.152 176.300 -0.014 0.000 0.967 363 D CA 1.322 55.312 54.000 -0.017 0.000 0.840 363 D CB -0.085 40.704 40.800 -0.019 0.000 0.972 363 D HN 0.514 nan 8.370 nan 0.000 0.482 364 D N 0.434 120.826 120.400 -0.013 0.000 2.110 364 D HA -0.035 4.605 4.640 0.000 0.000 0.202 364 D C 1.944 178.239 176.300 -0.009 0.000 0.975 364 D CA 0.979 54.973 54.000 -0.011 0.000 0.839 364 D CB -0.291 40.502 40.800 -0.011 0.000 0.996 364 D HN 0.083 nan 8.370 nan 0.000 0.464 365 A N 0.863 123.678 122.820 -0.008 0.000 2.139 365 A HA -0.125 4.196 4.320 0.000 0.000 0.221 365 A C 2.280 179.859 177.584 -0.008 0.000 1.159 365 A CA 0.966 52.999 52.037 -0.006 0.000 0.662 365 A CB -0.447 18.550 19.000 -0.005 0.000 0.796 365 A HN 0.166 nan 8.150 nan 0.000 0.463 366 V N -1.099 118.809 119.914 -0.010 0.000 3.406 366 V HA 0.025 4.146 4.120 0.000 0.000 0.263 366 V C 2.414 178.502 176.094 -0.010 0.000 1.172 366 V CA 1.185 63.478 62.300 -0.011 0.000 1.140 366 V CB -0.270 31.544 31.823 -0.014 0.000 0.784 366 V HN 0.578 nan 8.190 nan 0.000 0.467 367 G N 0.618 109.413 108.800 -0.010 0.000 2.459 367 G HA2 -0.100 3.861 3.960 0.000 0.000 0.213 367 G HA3 -0.100 3.861 3.960 0.000 0.000 0.213 367 G C 1.612 176.508 174.900 -0.007 0.000 1.155 367 G CA 1.134 46.229 45.100 -0.008 0.000 0.811 367 G HN 0.516 nan 8.290 nan 0.000 0.534 368 V N -0.449 119.461 119.914 -0.006 0.000 3.041 368 V HA 0.009 4.130 4.120 0.000 0.000 0.260 368 V C 2.418 178.510 176.094 -0.003 0.000 1.105 368 V CA 1.348 63.645 62.300 -0.004 0.000 1.125 368 V CB -0.188 31.633 31.823 -0.003 0.000 0.730 368 V HN 0.109 nan 8.190 nan 0.000 0.479 369 V N 1.828 121.739 119.914 -0.004 0.000 2.379 369 V HA 0.104 4.224 4.120 0.000 0.000 0.243 369 V C 3.020 179.112 176.094 -0.005 0.000 1.035 369 V CA 1.700 63.998 62.300 -0.004 0.000 1.035 369 V CB -1.708 30.113 31.823 -0.004 0.000 0.673 369 V HN 0.552 nan 8.190 nan 0.000 0.457 370 G N -0.240 108.556 108.800 -0.006 0.000 2.743 370 G HA2 -0.368 3.592 3.960 0.000 0.000 0.222 370 G HA3 -0.368 3.592 3.960 0.000 0.000 0.222 370 G C 1.619 176.516 174.900 -0.004 0.000 1.085 370 G CA 1.685 46.782 45.100 -0.006 0.000 0.716 370 G HN 0.743 nan 8.290 nan 0.000 0.604 371 C N -1.283 118.015 119.300 -0.004 0.000 2.937 371 C HA 0.222 4.682 4.460 0.000 0.000 0.426 371 C C 3.064 178.054 174.990 -0.002 0.000 1.321 371 C CA 1.347 60.364 59.018 -0.003 0.000 2.082 371 C CB -0.253 27.486 27.740 -0.003 0.000 2.834 371 C HN 0.437 nan 8.230 nan 0.000 0.593 372 T N 1.269 115.822 114.554 -0.001 0.000 2.836 372 T HA -0.175 4.176 4.350 0.000 0.000 0.268 372 T C 1.599 176.299 174.700 -0.000 0.000 1.080 372 T CA 2.213 64.312 62.100 -0.000 0.000 1.128 372 T CB -0.669 68.200 68.868 0.001 0.000 0.839 372 T HN 0.614 nan 8.240 nan 0.000 0.507 373 I N 1.346 121.916 120.570 -0.001 0.000 2.385 373 I HA 0.020 4.190 4.170 0.000 0.000 0.244 373 I C 2.637 178.753 176.117 -0.001 0.000 1.089 373 I CA 1.124 62.423 61.300 -0.001 0.000 1.410 373 I CB -0.923 37.076 38.000 -0.002 0.000 1.117 373 I HN 0.414 nan 8.210 nan 0.000 0.429 374 E N 0.709 120.908 120.200 -0.001 0.000 2.158 374 E HA -0.063 4.287 4.350 0.000 0.000 0.191 374 E C -0.159 176.441 176.600 -0.001 0.000 0.982 374 E CA 0.672 57.071 56.400 -0.001 0.000 0.823 374 E CB 0.115 29.814 29.700 -0.002 0.000 0.766 374 E HN 0.341 nan 8.360 nan 0.000 0.468 375 D N -0.183 120.216 120.400 -0.001 0.000 2.469 375 D HA 0.178 4.818 4.640 0.000 0.000 0.251 375 D C 0.050 176.351 176.300 0.000 0.000 1.173 375 D CA -0.290 53.710 54.000 -0.000 0.000 0.882 375 D CB 1.579 42.379 40.800 -0.001 0.000 1.129 375 D HN 0.089 nan 8.370 nan 0.000 0.549 376 G N 2.240 111.040 108.800 0.001 0.000 3.155 376 G HA2 -0.054 3.906 3.960 0.000 0.000 0.213 376 G HA3 -0.054 3.906 3.960 0.000 0.000 0.213 376 G C 0.663 175.564 174.900 0.002 0.000 1.196 376 G CA -0.036 45.064 45.100 0.001 0.000 0.846 376 G HN 0.218 nan 8.290 nan 0.000 0.516 377 R N 0.304 120.806 120.500 0.003 0.000 2.502 377 R HA 0.550 4.890 4.340 0.000 0.000 0.300 377 R C -0.535 175.769 176.300 0.006 0.000 0.984 377 R CA -0.767 55.335 56.100 0.004 0.000 0.882 377 R CB 1.005 31.307 30.300 0.004 0.000 1.180 377 R HN 0.197 nan 8.270 nan 0.000 0.444 378 I N 0.178 120.753 120.570 0.008 0.000 2.863 378 I HA 0.609 4.779 4.170 0.000 0.000 0.311 378 I C -0.996 175.130 176.117 0.015 0.000 1.026 378 I CA -1.198 60.108 61.300 0.010 0.000 1.077 378 I CB 2.214 40.219 38.000 0.009 0.000 1.262 378 I HN 0.222 nan 8.210 nan 0.000 0.461 379 V N 3.711 123.635 119.914 0.016 0.000 2.325 379 V HA 0.219 4.340 4.120 0.000 0.000 0.280 379 V C 0.307 176.418 176.094 0.027 0.000 1.016 379 V CA -0.164 62.148 62.300 0.021 0.000 0.818 379 V CB 0.912 32.746 31.823 0.018 0.000 1.019 379 V HN 1.029 nan 8.190 nan 0.000 0.434 380 S N 2.690 118.417 115.700 0.045 0.000 3.491 380 S HA -0.180 4.291 4.470 0.000 0.000 0.371 380 S C 0.882 175.511 174.600 0.048 0.000 0.980 380 S CA 0.496 58.736 58.200 0.068 0.000 1.204 380 S CB -1.470 61.809 63.200 0.131 0.000 0.915 380 S HN 1.472 nan 8.310 nan 0.000 0.482 381 G N 0.972 109.796 108.800 0.041 0.000 2.428 381 G HA2 0.481 4.441 3.960 0.000 0.000 0.290 381 G HA3 0.481 4.441 3.960 0.000 0.000 0.290 381 G C 1.033 175.941 174.900 0.014 0.000 0.996 381 G CA 0.113 45.225 45.100 0.021 0.000 1.406 381 G HN 1.841 nan 8.290 nan 0.000 0.445 382 G N 1.247 110.048 108.800 0.001 0.000 2.306 382 G HA2 0.263 4.223 3.960 0.000 0.000 0.274 382 G HA3 0.263 4.223 3.960 0.000 0.000 0.274 382 G C 0.740 175.634 174.900 -0.010 0.000 0.890 382 G CA 0.469 45.560 45.100 -0.013 0.000 1.298 382 G HN 1.844 nan 8.290 nan 0.000 0.445 383 G N -0.502 108.301 108.800 0.005 0.000 5.114 383 G HA2 0.531 4.492 3.960 0.000 0.000 0.209 383 G HA3 0.531 4.492 3.960 0.000 0.000 0.209 383 G C 0.782 175.679 174.900 -0.004 0.000 1.021 383 G CA 0.909 46.004 45.100 -0.007 0.000 0.608 383 G HN 0.613 nan 8.290 nan 0.000 0.360 384 S N 0.262 115.987 115.700 0.041 0.000 2.380 384 S HA -0.149 4.322 4.470 0.000 0.000 0.217 384 S C 2.535 176.991 174.600 -0.239 0.000 1.036 384 S CA 1.966 60.202 58.200 0.061 0.000 1.050 384 S CB -0.516 62.943 63.200 0.430 0.000 1.016 384 S HN 0.409 nan 8.310 nan 0.000 0.419 385 T N 3.023 117.519 114.554 -0.096 0.000 2.721 385 T HA -0.165 4.185 4.350 0.000 0.000 0.268 385 T C 1.894 176.519 174.700 -0.125 0.000 1.038 385 T CA 1.645 63.682 62.100 -0.104 0.000 1.145 385 T CB -0.519 68.328 68.868 -0.034 0.000 0.858 385 T HN 0.505 nan 8.240 nan 0.000 0.459 386 E N 1.284 121.421 120.200 -0.105 0.000 2.028 386 E HA -0.091 4.259 4.350 0.000 0.000 0.191 386 E C 2.639 179.181 176.600 -0.097 0.000 0.988 386 E CA 1.504 57.857 56.400 -0.079 0.000 0.799 386 E CB -1.000 28.664 29.700 -0.060 0.000 0.755 386 E HN 0.610 nan 8.360 nan 0.000 0.447 387 V N 0.033 119.863 119.914 -0.139 0.000 2.591 387 V HA -0.106 4.014 4.120 0.000 0.000 0.249 387 V C 2.372 178.367 176.094 -0.166 0.000 1.053 387 V CA 1.776 64.000 62.300 -0.126 0.000 1.068 387 V CB -0.607 31.152 31.823 -0.107 0.000 0.689 387 V HN 0.034 nan 8.190 nan 0.000 0.462 388 E N 1.275 121.293 120.200 -0.303 0.000 2.047 388 E HA -0.118 4.232 4.350 0.000 0.000 0.191 388 E C 2.029 178.555 176.600 -0.124 0.000 0.987 388 E CA 1.632 57.870 56.400 -0.270 0.000 0.799 388 E CB -0.586 28.842 29.700 -0.454 0.000 0.752 388 E HN 0.598 nan 8.360 nan 0.000 0.449 389 L N 0.406 121.562 121.223 -0.111 0.000 2.129 389 L HA -0.227 4.113 4.340 0.000 0.000 0.212 389 L C 2.591 179.433 176.870 -0.046 0.000 1.087 389 L CA 1.449 56.249 54.840 -0.067 0.000 0.757 389 L CB -0.662 41.368 42.059 -0.049 0.000 0.896 389 L HN 0.245 nan 8.230 nan 0.000 0.434 390 S N 0.993 116.664 115.700 -0.048 0.000 2.344 390 S HA -0.251 4.219 4.470 0.000 0.000 0.217 390 S C 2.082 176.674 174.600 -0.013 0.000 1.033 390 S CA 1.790 59.975 58.200 -0.026 0.000 1.017 390 S CB -0.215 62.964 63.200 -0.035 0.000 0.941 390 S HN 0.485 nan 8.310 nan 0.000 0.430 391 M N -0.382 119.207 119.600 -0.019 0.000 2.435 391 M HA 0.017 4.498 4.480 0.000 0.000 0.262 391 M C 1.790 178.096 176.300 0.010 0.000 1.065 391 M CA 1.554 56.852 55.300 -0.003 0.000 1.076 391 M CB -0.414 32.186 32.600 -0.000 0.000 1.403 391 M HN 0.173 nan 8.290 nan 0.000 0.454 392 K N 0.615 121.018 120.400 0.005 0.000 2.365 392 K HA 0.289 4.609 4.320 0.000 0.000 0.195 392 K C 1.745 178.371 176.600 0.044 0.000 1.079 392 K CA 0.265 56.563 56.287 0.018 0.000 0.979 392 K CB 0.412 32.911 32.500 -0.000 0.000 0.929 392 K HN 0.342 nan 8.250 nan 0.000 0.523 393 L N 0.346 121.584 121.223 0.025 0.000 2.509 393 L HA 0.093 4.433 4.340 0.000 0.000 0.222 393 L C 2.342 179.275 176.870 0.106 0.000 1.123 393 L CA 0.296 55.166 54.840 0.050 0.000 0.856 393 L CB -0.027 41.999 42.059 -0.054 0.000 0.985 393 L HN 0.065 nan 8.230 nan 0.000 0.456 394 R N 0.827 121.363 120.500 0.059 0.000 2.062 394 R HA -0.102 4.238 4.340 0.000 0.000 0.226 394 R C 1.993 178.320 176.300 0.045 0.000 1.125 394 R CA 1.076 57.203 56.100 0.045 0.000 0.966 394 R CB -0.007 30.307 30.300 0.024 0.000 0.861 394 R HN 0.269 nan 8.270 nan 0.000 0.433 395 E N -0.461 119.767 120.200 0.047 0.000 2.273 395 E HA -0.270 4.080 4.350 0.000 0.000 0.198 395 E C 1.264 177.891 176.600 0.046 0.000 1.002 395 E CA 1.248 57.672 56.400 0.040 0.000 0.828 395 E CB -0.187 29.531 29.700 0.031 0.000 0.747 395 E HN 0.529 nan 8.360 nan 0.000 0.491 396 Y N 0.445 120.728 120.300 -0.027 0.000 2.500 396 Y HA 0.282 4.832 4.550 0.000 0.000 0.270 396 Y C 2.120 178.000 175.900 -0.033 0.000 1.134 396 Y CA 0.429 58.510 58.100 -0.033 0.000 1.293 396 Y CB 0.158 38.590 38.460 -0.047 0.000 1.063 396 Y HN -0.032 nan 8.280 nan 0.000 0.534 397 A N 0.352 123.140 122.820 -0.053 0.000 1.897 397 A HA -0.100 4.220 4.320 0.000 0.000 0.215 397 A C 1.995 179.493 177.584 -0.144 0.000 1.181 397 A CA 1.603 53.587 52.037 -0.089 0.000 0.620 397 A CB -0.469 18.531 19.000 0.001 0.000 0.821 397 A HN 0.540 nan 8.150 nan 0.000 0.443 398 E N -0.382 119.753 120.200 -0.107 0.000 2.268 398 E HA -0.058 4.293 4.350 0.000 0.000 0.195 398 E C 2.015 178.548 176.600 -0.111 0.000 0.995 398 E CA 0.411 56.760 56.400 -0.086 0.000 0.836 398 E CB -0.252 29.418 29.700 -0.050 0.000 0.763 398 E HN 0.620 nan 8.360 nan 0.000 0.491 399 G N 2.289 110.980 108.800 -0.181 0.000 2.587 399 G HA2 -0.293 3.667 3.960 0.000 0.000 0.217 399 G HA3 -0.293 3.667 3.960 0.000 0.000 0.217 399 G C 1.652 176.405 174.900 -0.245 0.000 1.240 399 G CA 1.244 46.197 45.100 -0.244 0.000 0.794 399 G HN 0.385 nan 8.290 nan 0.000 0.580 400 I N -2.486 117.894 120.570 -0.316 0.000 2.500 400 I HA 0.231 4.402 4.170 0.000 0.000 0.252 400 I C 0.914 176.967 176.117 -0.106 0.000 1.142 400 I CA 0.847 62.018 61.300 -0.214 0.000 1.451 400 I CB -0.241 37.626 38.000 -0.222 0.000 1.093 400 I HN 0.338 nan 8.210 nan 0.000 0.430 401 S N 0.118 115.773 115.700 -0.076 0.000 2.859 401 S HA 0.182 4.652 4.470 0.000 0.000 0.857 401 S C 0.219 174.809 174.600 -0.017 0.000 0.890 401 S CA 0.454 58.631 58.200 -0.040 0.000 1.462 401 S CB -1.197 61.984 63.200 -0.032 0.000 1.049 401 S HN 2.150 nan 8.310 nan 0.000 0.232 402 G N 5.773 114.569 108.800 -0.005 0.000 2.650 402 G HA2 -0.275 3.686 3.960 0.000 0.000 0.264 402 G HA3 -0.275 3.686 3.960 0.000 0.000 0.264 402 G C 0.469 175.382 174.900 0.022 0.000 1.263 402 G CA 0.541 45.645 45.100 0.008 0.000 0.960 402 G HN 1.085 nan 8.290 nan 0.000 0.548 403 R N 0.902 121.421 120.500 0.030 0.000 2.128 403 R HA 0.134 4.475 4.340 0.000 0.000 0.211 403 R C 2.146 178.488 176.300 0.071 0.000 1.067 403 R CA 1.222 57.350 56.100 0.047 0.000 1.010 403 R CB -0.182 30.144 30.300 0.044 0.000 0.922 403 R HN 0.511 nan 8.270 nan 0.000 0.457 404 E N 1.512 121.754 120.200 0.070 0.000 2.501 404 E HA -0.198 4.152 4.350 0.000 0.000 0.203 404 E C 1.646 178.293 176.600 0.079 0.000 1.072 404 E CA 0.757 57.214 56.400 0.094 0.000 0.885 404 E CB -0.245 29.507 29.700 0.087 0.000 0.813 404 E HN 0.395 nan 8.360 nan 0.000 0.556 405 Q N 0.785 120.614 119.800 0.049 0.000 1.941 405 Q HA -0.181 4.159 4.340 0.000 0.000 0.201 405 Q C 1.903 177.937 176.000 0.058 0.000 0.982 405 Q CA 1.648 57.470 55.803 0.031 0.000 0.839 405 Q CB -0.248 28.498 28.738 0.015 0.000 0.904 405 Q HN 0.350 nan 8.270 nan 0.000 0.427 406 L N 0.969 122.235 121.223 0.073 0.000 2.244 406 L HA -0.393 3.947 4.340 0.000 0.000 0.239 406 L C 2.492 179.475 176.870 0.189 0.000 1.131 406 L CA 2.037 56.942 54.840 0.109 0.000 0.854 406 L CB -2.021 40.099 42.059 0.103 0.000 0.951 406 L HN 0.416 nan 8.230 nan 0.000 0.449 407 A N 0.795 123.794 122.820 0.298 0.000 1.885 407 A HA -0.266 4.055 4.320 0.000 0.000 0.215 407 A C 2.385 179.904 177.584 -0.108 0.000 1.255 407 A CA 3.559 55.913 52.037 0.529 0.000 0.692 407 A CB -1.477 17.797 19.000 0.457 0.000 0.842 407 A HN 0.654 nan 8.150 nan 0.000 0.465 408 V N -1.367 118.518 119.914 -0.048 0.000 2.688 408 V HA -0.241 3.879 4.120 0.000 0.000 0.256 408 V C 2.161 178.224 176.094 -0.053 0.000 1.084 408 V CA 2.503 64.738 62.300 -0.108 0.000 1.103 408 V CB -0.994 30.872 31.823 0.072 0.000 0.688 408 V HN 0.547 nan 8.190 nan 0.000 0.480 409 R N 0.943 121.440 120.500 -0.006 0.000 2.073 409 R HA 0.181 4.521 4.340 0.000 0.000 0.229 409 R C 2.324 178.626 176.300 0.004 0.000 1.120 409 R CA 1.429 57.535 56.100 0.011 0.000 0.967 409 R CB -0.550 29.767 30.300 0.028 0.000 0.862 409 R HN 0.610 nan 8.270 nan 0.000 0.436 410 A N -0.327 122.492 122.820 -0.003 0.000 2.238 410 A HA -0.021 4.299 4.320 0.000 0.000 0.208 410 A C 1.179 178.743 177.584 -0.035 0.000 1.177 410 A CA 0.266 52.314 52.037 0.019 0.000 0.804 410 A CB -0.116 18.962 19.000 0.129 0.000 0.823 410 A HN 0.343 nan 8.150 nan 0.000 0.482 411 F N -0.917 118.833 119.950 -0.332 0.000 2.682 411 F HA 0.524 5.051 4.527 0.001 0.000 0.308 411 F C 1.705 177.390 175.800 -0.192 0.000 1.093 411 F CA -0.176 57.614 58.000 -0.350 0.000 1.244 411 F CB -0.025 38.602 39.000 -0.622 0.000 1.052 411 F HN 0.172 nan 8.300 nan 0.000 0.573 412 A N -0.408 122.474 122.820 0.102 0.000 1.920 412 A HA 0.064 4.385 4.320 0.000 0.000 0.209 412 A C 1.737 179.332 177.584 0.018 0.000 1.229 412 A CA 1.037 53.113 52.037 0.066 0.000 0.671 412 A CB -0.624 18.394 19.000 0.030 0.000 0.886 412 A HN 0.161 nan 8.150 nan 0.000 0.461 413 D N 0.308 120.712 120.400 0.007 0.000 2.351 413 D HA 0.047 4.687 4.640 0.000 0.000 0.216 413 D C 1.818 178.105 176.300 -0.022 0.000 0.968 413 D CA 1.083 55.080 54.000 -0.005 0.000 0.899 413 D CB 0.032 40.833 40.800 0.001 0.000 0.907 413 D HN 0.418 nan 8.370 nan 0.000 0.514 414 A N -0.105 122.691 122.820 -0.040 0.000 1.984 414 A HA 0.021 4.341 4.320 0.000 0.000 0.214 414 A C 1.942 179.469 177.584 -0.094 0.000 1.173 414 A CA 0.128 52.116 52.037 -0.083 0.000 0.673 414 A CB -0.477 18.450 19.000 -0.122 0.000 0.830 414 A HN 0.278 nan 8.150 nan 0.000 0.453 415 L N -0.698 120.481 121.223 -0.072 0.000 2.661 415 L HA -0.086 4.254 4.340 0.000 0.000 0.236 415 L C 1.783 178.625 176.870 -0.046 0.000 1.176 415 L CA 1.212 56.021 54.840 -0.052 0.000 0.836 415 L CB -0.611 41.432 42.059 -0.027 0.000 0.960 415 L HN 0.308 nan 8.230 nan 0.000 0.455 416 E N -0.212 119.963 120.200 -0.042 0.000 2.340 416 E HA -0.009 4.341 4.350 0.000 0.000 0.198 416 E C 2.086 178.664 176.600 -0.036 0.000 0.961 416 E CA 0.289 56.669 56.400 -0.035 0.000 0.905 416 E CB 0.300 29.984 29.700 -0.026 0.000 0.884 416 E HN 0.233 nan 8.360 nan 0.000 0.491 417 V N 2.305 122.194 119.914 -0.041 0.000 2.411 417 V HA -0.440 3.680 4.120 0.000 0.000 0.225 417 V C 2.201 178.271 176.094 -0.041 0.000 0.970 417 V CA 2.505 64.778 62.300 -0.044 0.000 1.103 417 V CB -0.623 31.173 31.823 -0.046 0.000 0.871 417 V HN 0.263 nan 8.190 nan 0.000 0.510 418 I N 0.364 120.907 120.570 -0.045 0.000 2.091 418 I HA -0.156 4.015 4.170 0.000 0.000 0.239 418 I C 0.141 176.235 176.117 -0.038 0.000 1.061 418 I CA 2.400 63.675 61.300 -0.042 0.000 1.317 418 I CB -3.165 34.809 38.000 -0.042 0.000 1.031 418 I HN 0.425 nan 8.210 nan 0.000 0.401 419 P HA -0.099 nan 4.420 nan 0.000 0.223 419 P C 1.840 179.121 177.300 -0.031 0.000 1.151 419 P CA 1.236 64.316 63.100 -0.034 0.000 0.787 419 P CB -0.042 31.638 31.700 -0.032 0.000 0.788 420 R N -0.265 120.218 120.500 -0.029 0.000 2.061 420 R HA -0.121 4.219 4.340 0.000 0.000 0.230 420 R C 2.394 178.678 176.300 -0.028 0.000 1.140 420 R CA 2.412 58.496 56.100 -0.026 0.000 0.940 420 R CB -1.391 28.894 30.300 -0.025 0.000 0.839 420 R HN 0.123 nan 8.270 nan 0.000 0.429 421 T N 0.716 115.251 114.554 -0.030 0.000 2.635 421 T HA -0.218 4.132 4.350 0.000 0.000 0.267 421 T C 1.943 176.623 174.700 -0.034 0.000 1.040 421 T CA 2.426 64.507 62.100 -0.030 0.000 1.156 421 T CB -0.608 68.243 68.868 -0.028 0.000 0.863 421 T HN 0.395 nan 8.240 nan 0.000 0.430 422 L N 1.715 122.914 121.223 -0.039 0.000 2.272 422 L HA -0.311 4.029 4.340 0.000 0.000 0.233 422 L C 2.888 179.727 176.870 -0.052 0.000 1.125 422 L CA 2.596 57.407 54.840 -0.048 0.000 0.851 422 L CB -1.943 40.082 42.059 -0.057 0.000 0.933 422 L HN 0.413 nan 8.230 nan 0.000 0.452 423 A N -0.877 121.918 122.820 -0.041 0.000 1.855 423 A HA -0.124 4.196 4.320 0.000 0.000 0.213 423 A C 2.277 179.844 177.584 -0.029 0.000 1.195 423 A CA 1.406 53.422 52.037 -0.034 0.000 0.610 423 A CB -0.580 18.405 19.000 -0.025 0.000 0.837 423 A HN 0.549 nan 8.150 nan 0.000 0.444 424 E N -0.221 119.964 120.200 -0.026 0.000 2.204 424 E HA -0.147 4.203 4.350 0.000 0.000 0.194 424 E C 1.314 177.902 176.600 -0.020 0.000 0.989 424 E CA 0.808 57.196 56.400 -0.020 0.000 0.824 424 E CB -0.028 29.660 29.700 -0.020 0.000 0.756 424 E HN 0.481 nan 8.360 nan 0.000 0.477 425 N N -0.145 118.541 118.700 -0.024 0.000 2.416 425 N HA -0.032 4.708 4.740 0.000 0.000 0.177 425 N C 1.163 176.659 175.510 -0.024 0.000 1.036 425 N CA 0.769 53.804 53.050 -0.024 0.000 0.901 425 N CB 0.201 38.670 38.487 -0.031 0.000 0.976 425 N HN 0.075 nan 8.380 nan 0.000 0.444 426 A N -0.264 122.539 122.820 -0.029 0.000 2.251 426 A HA 0.401 4.721 4.320 0.000 0.000 0.209 426 A C 1.582 179.160 177.584 -0.010 0.000 1.187 426 A CA 0.883 52.905 52.037 -0.025 0.000 0.823 426 A CB -0.276 18.699 19.000 -0.040 0.000 0.846 426 A HN 0.286 nan 8.150 nan 0.000 0.486 427 G N -1.284 107.510 108.800 -0.010 0.000 2.205 427 G HA2 -0.240 3.721 3.960 0.000 0.000 0.261 427 G HA3 -0.240 3.721 3.960 0.000 0.000 0.261 427 G C 0.275 175.172 174.900 -0.005 0.000 0.980 427 G CA 0.477 45.574 45.100 -0.005 0.000 0.632 427 G HN 0.434 nan 8.290 nan 0.000 0.533 428 L N 0.648 121.866 121.223 -0.008 0.000 2.456 428 L HA 0.390 4.730 4.340 0.000 0.000 0.257 428 L C 0.583 177.449 176.870 -0.006 0.000 1.162 428 L CA -0.719 54.117 54.840 -0.005 0.000 0.808 428 L CB 0.431 42.486 42.059 -0.006 0.000 1.136 428 L HN 0.082 nan 8.230 nan 0.000 0.466 429 D N 0.053 120.451 120.400 -0.003 0.000 2.351 429 D HA 0.163 4.804 4.640 0.000 0.000 0.251 429 D C 0.298 176.594 176.300 -0.005 0.000 1.137 429 D CA 0.136 54.133 54.000 -0.004 0.000 0.879 429 D CB 2.017 42.817 40.800 -0.002 0.000 1.181 429 D HN 0.606 nan 8.370 nan 0.000 0.448 430 A N 4.835 127.651 122.820 -0.007 0.000 1.984 430 A HA -0.070 4.250 4.320 0.000 0.000 0.214 430 A C 2.161 179.742 177.584 -0.006 0.000 1.173 430 A CA 0.097 52.128 52.037 -0.008 0.000 0.673 430 A CB -0.318 18.675 19.000 -0.012 0.000 0.830 430 A HN 0.760 nan 8.150 nan 0.000 0.453 431 I N 0.095 120.662 120.570 -0.004 0.000 2.194 431 I HA -0.271 3.899 4.170 0.000 0.000 0.246 431 I C 1.945 178.062 176.117 -0.000 0.000 1.093 431 I CA 2.234 63.533 61.300 -0.002 0.000 1.355 431 I CB -0.480 37.519 38.000 -0.002 0.000 1.046 431 I HN 0.463 nan 8.210 nan 0.000 0.413 432 E N 0.806 121.006 120.200 0.001 0.000 2.077 432 E HA -0.193 4.157 4.350 0.000 0.000 0.193 432 E C 2.263 178.866 176.600 0.004 0.000 0.989 432 E CA 1.712 58.114 56.400 0.003 0.000 0.800 432 E CB -0.017 29.685 29.700 0.004 0.000 0.746 432 E HN 0.601 nan 8.360 nan 0.000 0.452 433 I N 0.768 121.339 120.570 0.002 0.000 2.584 433 I HA -0.167 4.003 4.170 0.000 0.000 0.255 433 I C 2.167 178.287 176.117 0.005 0.000 1.145 433 I CA 0.309 61.611 61.300 0.003 0.000 1.462 433 I CB -0.238 37.761 38.000 -0.001 0.000 1.102 433 I HN 0.135 nan 8.210 nan 0.000 0.433 434 L N 0.838 122.062 121.223 0.001 0.000 2.042 434 L HA -0.171 4.170 4.340 0.000 0.000 0.210 434 L C 2.624 179.498 176.870 0.006 0.000 1.076 434 L CA 1.695 56.535 54.840 0.001 0.000 0.749 434 L CB -1.197 40.859 42.059 -0.005 0.000 0.893 434 L HN 0.139 nan 8.230 nan 0.000 0.432 435 V N -0.524 119.395 119.914 0.007 0.000 2.667 435 V HA -0.198 3.922 4.120 0.000 0.000 0.252 435 V C 2.460 178.563 176.094 0.015 0.000 1.065 435 V CA 1.193 63.500 62.300 0.010 0.000 1.083 435 V CB -0.403 31.424 31.823 0.008 0.000 0.692 435 V HN 0.454 nan 8.190 nan 0.000 0.468 436 K N -0.413 119.996 120.400 0.016 0.000 2.098 436 K HA -0.001 4.319 4.320 0.000 0.000 0.203 436 K C 2.090 178.707 176.600 0.030 0.000 1.051 436 K CA 0.915 57.213 56.287 0.019 0.000 0.957 436 K CB -0.208 32.302 32.500 0.016 0.000 0.738 436 K HN 0.310 nan 8.250 nan 0.000 0.447 437 V N 1.658 121.593 119.914 0.034 0.000 2.427 437 V HA -0.182 3.939 4.120 0.000 0.000 0.248 437 V C 2.324 178.467 176.094 0.083 0.000 1.051 437 V CA 1.472 63.808 62.300 0.061 0.000 1.048 437 V CB -0.436 31.418 31.823 0.052 0.000 0.666 437 V HN 0.262 nan 8.190 nan 0.000 0.456 438 R N 0.079 120.609 120.500 0.050 0.000 2.070 438 R HA -0.115 4.225 4.340 0.000 0.000 0.232 438 R C 2.371 178.709 176.300 0.064 0.000 1.138 438 R CA 1.650 57.778 56.100 0.046 0.000 0.936 438 R CB -0.589 29.723 30.300 0.019 0.000 0.839 438 R HN 0.505 nan 8.270 nan 0.000 0.429 439 A N 0.484 123.331 122.820 0.045 0.000 2.066 439 A HA 0.004 4.324 4.320 0.000 0.000 0.218 439 A C 2.125 179.735 177.584 0.043 0.000 1.157 439 A CA 1.392 53.451 52.037 0.037 0.000 0.670 439 A CB -0.272 18.743 19.000 0.024 0.000 0.804 439 A HN 0.437 nan 8.150 nan 0.000 0.453 440 A N -1.475 121.376 122.820 0.052 0.000 2.016 440 A HA -0.031 4.289 4.320 0.000 0.000 0.217 440 A C 1.880 179.485 177.584 0.034 0.000 1.162 440 A CA 1.507 53.566 52.037 0.037 0.000 0.662 440 A CB -0.662 18.352 19.000 0.024 0.000 0.812 440 A HN 0.681 nan 8.150 nan 0.000 0.450 441 H N -0.566 118.505 119.070 0.001 0.000 2.363 441 H HA 0.158 4.714 4.556 0.000 0.000 0.301 441 H C 1.943 177.272 175.328 0.002 0.000 1.074 441 H CA 1.128 57.177 56.048 0.001 0.000 1.354 441 H CB 0.065 29.827 29.762 -0.000 0.000 1.397 441 H HN 0.460 nan 8.280 nan 0.000 0.516 442 A N -1.005 121.898 122.820 0.139 0.000 2.268 442 A HA 0.126 4.446 4.320 0.000 0.000 0.221 442 A C 1.229 178.841 177.584 0.046 0.000 1.287 442 A CA 0.921 53.007 52.037 0.082 0.000 0.902 442 A CB 0.052 19.086 19.000 0.055 0.000 0.877 442 A HN 0.366 nan 8.150 nan 0.000 0.487 443 S N -1.724 113.995 115.700 0.033 0.000 2.874 443 S HA 0.057 4.527 4.470 0.000 0.000 0.271 443 S C 1.378 175.973 174.600 -0.010 0.000 1.061 443 S CA 0.219 58.426 58.200 0.011 0.000 1.029 443 S CB -0.111 63.094 63.200 0.009 0.000 0.925 443 S HN 0.669 nan 8.310 nan 0.000 0.459 444 N N 0.605 119.284 118.700 -0.036 0.000 2.368 444 N HA 0.420 5.161 4.740 0.000 0.000 0.178 444 N C 0.550 176.004 175.510 -0.094 0.000 1.021 444 N CA 0.689 53.700 53.050 -0.065 0.000 0.875 444 N CB 0.729 39.166 38.487 -0.084 0.000 1.020 444 N HN 0.449 nan 8.380 nan 0.000 0.433 445 G N -0.079 108.631 108.800 -0.151 0.000 2.347 445 G HA2 -0.177 3.784 3.960 0.000 0.000 0.477 445 G HA3 -0.177 3.784 3.960 0.000 0.000 0.477 445 G C -0.154 174.557 174.900 -0.315 0.000 1.349 445 G CA -0.197 44.818 45.100 -0.141 0.000 1.000 445 G HN 0.282 nan 8.290 nan 0.000 0.605 446 N N 0.648 119.315 118.700 -0.055 0.000 2.161 446 N HA -0.365 4.375 4.740 0.000 0.000 0.199 446 N C 1.904 177.404 175.510 -0.018 0.000 0.990 446 N CA 3.011 56.104 53.050 0.072 0.000 0.902 446 N CB -0.451 38.074 38.487 0.063 0.000 1.074 446 N HN 0.930 nan 8.380 nan 0.000 0.556 447 K N -1.094 119.260 120.400 -0.077 0.000 2.186 447 K HA 0.070 4.390 4.320 0.000 0.000 0.202 447 K C 0.164 176.709 176.600 -0.091 0.000 1.052 447 K CA 0.918 57.175 56.287 -0.049 0.000 0.965 447 K CB -0.184 32.297 32.500 -0.032 0.000 0.746 447 K HN 0.364 nan 8.250 nan 0.000 0.457 448 C N 1.321 120.494 119.300 -0.211 0.000 2.294 448 C HA 0.778 5.239 4.460 0.000 0.000 0.319 448 C C -0.071 174.757 174.990 -0.271 0.000 1.164 448 C CA 0.074 58.981 59.018 -0.184 0.000 1.497 448 C CB -0.365 27.309 27.740 -0.109 0.000 2.061 448 C HN 0.531 nan 8.230 nan 0.000 0.438 449 A N 4.211 126.944 122.820 -0.145 0.000 2.204 449 A HA 0.436 4.756 4.320 0.000 0.000 0.226 449 A C 0.209 177.900 177.584 0.177 0.000 2.847 449 A CA 0.287 52.333 52.037 0.015 0.000 1.847 449 A CB -1.231 17.792 19.000 0.040 0.000 0.273 449 A HN 1.338 nan 8.150 nan 0.000 0.765 450 G N -0.689 108.159 108.800 0.080 0.000 2.606 450 G HA2 0.641 4.601 3.960 0.000 0.000 0.262 450 G HA3 0.641 4.601 3.960 0.000 0.000 0.262 450 G C -0.510 174.410 174.900 0.033 0.000 1.394 450 G CA -0.676 44.459 45.100 0.059 0.000 1.044 450 G HN 0.660 nan 8.290 nan 0.000 0.553 451 L N 0.550 121.775 121.223 0.003 0.000 2.448 451 L HA 0.286 4.626 4.340 0.000 0.000 0.257 451 L C -0.150 176.689 176.870 -0.052 0.000 1.504 451 L CA -0.793 54.037 54.840 -0.017 0.000 0.852 451 L CB 0.869 42.917 42.059 -0.018 0.000 1.051 451 L HN 0.401 nan 8.230 nan 0.000 0.518 452 N N 1.218 119.897 118.700 -0.035 0.000 2.182 452 N HA -0.111 4.629 4.740 0.000 0.000 0.283 452 N C 1.720 177.150 175.510 -0.133 0.000 1.380 452 N CA 0.823 53.839 53.050 -0.058 0.000 0.874 452 N CB 1.023 39.539 38.487 0.048 0.000 1.190 452 N HN 0.473 nan 8.380 nan 0.000 0.494 453 V N 4.339 124.082 119.914 -0.286 0.000 2.495 453 V HA -0.299 3.821 4.120 0.000 0.000 0.260 453 V C 1.222 177.164 176.094 -0.253 0.000 1.097 453 V CA 1.769 63.857 62.300 -0.354 0.000 1.105 453 V CB -0.695 30.807 31.823 -0.534 0.000 0.678 453 V HN 0.455 nan 8.190 nan 0.000 0.469 454 F N 0.889 120.841 119.950 0.003 0.000 2.231 454 F HA 0.178 4.705 4.527 0.000 0.000 0.267 454 F C 2.785 178.586 175.800 0.002 0.000 1.108 454 F CA 1.782 59.784 58.000 0.003 0.000 1.098 454 F CB -1.512 37.489 39.000 0.003 0.000 1.088 454 F HN -0.066 nan 8.300 nan 0.000 0.541 455 T N -0.829 113.872 114.554 0.245 0.000 2.759 455 T HA 0.098 4.448 4.350 0.000 0.000 0.269 455 T C 1.069 175.814 174.700 0.074 0.000 1.042 455 T CA 1.736 63.910 62.100 0.124 0.000 1.140 455 T CB -0.912 68.016 68.868 0.099 0.000 0.864 455 T HN 0.631 nan 8.240 nan 0.000 0.455 456 G N 0.609 109.448 108.800 0.065 0.000 2.842 456 G HA2 0.361 4.321 3.960 0.000 0.000 0.242 456 G HA3 0.361 4.321 3.960 0.000 0.000 0.242 456 G C -0.173 174.740 174.900 0.023 0.000 1.135 456 G CA -0.379 44.738 45.100 0.028 0.000 1.048 456 G HN 0.916 nan 8.290 nan 0.000 0.530 457 A N -1.133 121.700 122.820 0.022 0.000 2.428 457 A HA 0.917 5.237 4.320 0.000 0.000 0.304 457 A C -0.201 177.395 177.584 0.020 0.000 1.085 457 A CA 0.135 52.184 52.037 0.019 0.000 0.605 457 A CB 0.644 19.657 19.000 0.023 0.000 1.393 457 A HN 1.846 nan 8.150 nan 0.000 0.541 458 V N 1.475 121.401 119.914 0.020 0.000 2.572 458 V HA 0.523 4.644 4.120 0.000 0.000 0.291 458 V C 0.168 176.273 176.094 0.020 0.000 1.039 458 V CA 1.298 63.611 62.300 0.022 0.000 1.055 458 V CB 0.817 32.655 31.823 0.025 0.000 0.969 458 V HN 0.986 nan 8.190 nan 0.000 0.482 459 E N 4.477 124.688 120.200 0.019 0.000 2.412 459 E HA 0.229 4.580 4.350 0.000 0.000 0.279 459 E C -1.586 175.016 176.600 0.004 0.000 0.984 459 E CA -0.870 55.539 56.400 0.016 0.000 0.788 459 E CB 1.820 31.539 29.700 0.033 0.000 1.277 459 E HN 0.555 nan 8.360 nan 0.000 0.455 460 D N 3.505 123.903 120.400 -0.003 0.000 2.383 460 D HA 0.055 4.696 4.640 0.000 0.000 0.245 460 D C 1.073 177.374 176.300 0.002 0.000 1.263 460 D CA -0.211 53.780 54.000 -0.015 0.000 0.936 460 D CB 0.567 41.356 40.800 -0.018 0.000 1.053 460 D HN 0.405 nan 8.370 nan 0.000 0.507 461 M N 2.534 122.138 119.600 0.007 0.000 2.192 461 M HA -0.200 4.280 4.480 0.000 0.000 0.259 461 M C 1.927 178.235 176.300 0.014 0.000 1.071 461 M CA 1.023 56.334 55.300 0.018 0.000 1.082 461 M CB -0.906 31.708 32.600 0.023 0.000 1.373 461 M HN 0.540 nan 8.290 nan 0.000 0.408 462 C N -0.966 118.337 119.300 0.004 0.000 2.522 462 C HA -0.038 4.422 4.460 0.000 0.000 0.280 462 C C 2.386 177.379 174.990 0.005 0.000 1.303 462 C CA 0.204 59.225 59.018 0.004 0.000 1.709 462 C CB -0.791 26.947 27.740 -0.003 0.000 2.071 462 C HN 0.551 nan 8.230 nan 0.000 0.492 463 E N 1.171 121.372 120.200 0.002 0.000 2.273 463 E HA -0.201 4.149 4.350 0.000 0.000 0.198 463 E C 1.490 178.096 176.600 0.010 0.000 1.002 463 E CA 1.227 57.629 56.400 0.003 0.000 0.828 463 E CB -0.268 29.431 29.700 -0.001 0.000 0.747 463 E HN 0.728 nan 8.360 nan 0.000 0.491 464 N N -0.549 118.162 118.700 0.018 0.000 2.207 464 N HA -0.011 4.729 4.740 0.000 0.000 0.182 464 N C 0.841 176.365 175.510 0.024 0.000 1.020 464 N CA 0.425 53.491 53.050 0.026 0.000 0.858 464 N CB 0.265 38.779 38.487 0.044 0.000 0.991 464 N HN 0.156 nan 8.380 nan 0.000 0.427 465 G N 0.851 109.663 108.800 0.021 0.000 2.401 465 G HA2 -0.169 3.792 3.960 0.000 0.000 0.283 465 G HA3 -0.169 3.792 3.960 0.000 0.000 0.283 465 G C -0.095 174.824 174.900 0.032 0.000 1.117 465 G CA 0.275 45.389 45.100 0.022 0.000 1.051 465 G HN 0.367 nan 8.290 nan 0.000 0.510 466 V N -2.551 117.383 119.914 0.033 0.000 2.656 466 V HA 0.704 4.824 4.120 0.000 0.000 0.312 466 V C 0.556 176.665 176.094 0.026 0.000 1.181 466 V CA -0.116 62.206 62.300 0.037 0.000 1.250 466 V CB 0.408 32.264 31.823 0.055 0.000 1.468 466 V HN 1.536 nan 8.190 nan 0.000 0.651 467 V N 0.222 120.148 119.914 0.020 0.000 3.166 467 V HA 0.847 4.967 4.120 0.000 0.000 0.317 467 V C -0.206 175.895 176.094 0.012 0.000 1.136 467 V CA -0.313 61.996 62.300 0.016 0.000 1.035 467 V CB 2.422 34.255 31.823 0.017 0.000 1.110 467 V HN 0.831 nan 8.190 nan 0.000 0.450 468 E N 2.737 122.943 120.200 0.010 0.000 2.243 468 E HA 0.666 5.016 4.350 0.000 0.000 0.260 468 E C -2.789 173.814 176.600 0.005 0.000 0.985 468 E CA -2.423 53.980 56.400 0.006 0.000 0.858 468 E CB 1.556 31.258 29.700 0.003 0.000 1.210 468 E HN 0.544 nan 8.360 nan 0.000 0.411 469 P HA -0.016 nan 4.420 nan 0.000 0.274 469 P C 0.076 177.377 177.300 0.002 0.000 1.260 469 P CA -0.403 62.698 63.100 0.002 0.000 0.793 469 P CB 1.090 32.789 31.700 -0.000 0.000 1.048 470 L N 0.469 121.692 121.223 0.001 0.000 2.433 470 L HA 0.052 4.392 4.340 0.000 0.000 0.200 470 L C 2.572 179.442 176.870 -0.000 0.000 1.059 470 L CA 0.657 55.498 54.840 0.001 0.000 0.835 470 L CB -0.546 41.514 42.059 0.002 0.000 1.076 470 L HN 0.402 nan 8.230 nan 0.000 0.481 471 R N 0.865 121.364 120.500 -0.001 0.000 2.279 471 R HA -0.268 4.073 4.340 0.000 0.000 0.264 471 R C 1.887 178.186 176.300 -0.001 0.000 1.138 471 R CA 2.822 58.922 56.100 -0.001 0.000 0.981 471 R CB -1.361 28.938 30.300 -0.002 0.000 0.909 471 R HN 0.453 nan 8.270 nan 0.000 0.462 472 V N -0.701 119.212 119.914 -0.002 0.000 2.379 472 V HA -0.066 4.054 4.120 0.000 0.000 0.245 472 V C 2.318 178.411 176.094 -0.002 0.000 1.044 472 V CA 1.724 64.022 62.300 -0.002 0.000 1.036 472 V CB -0.367 31.454 31.823 -0.003 0.000 0.664 472 V HN 0.148 nan 8.190 nan 0.000 0.453 473 K N 0.895 121.294 120.400 -0.001 0.000 2.186 473 K HA -0.001 4.319 4.320 0.000 0.000 0.202 473 K C 2.395 178.997 176.600 0.002 0.000 1.052 473 K CA 1.696 57.982 56.287 -0.000 0.000 0.965 473 K CB -0.561 31.939 32.500 -0.001 0.000 0.746 473 K HN 0.827 nan 8.250 nan 0.000 0.457 474 T N -0.868 113.687 114.554 0.002 0.000 2.701 474 T HA -0.152 4.198 4.350 0.000 0.000 0.263 474 T C 2.007 176.711 174.700 0.006 0.000 1.040 474 T CA 0.964 63.066 62.100 0.003 0.000 1.147 474 T CB -0.255 68.613 68.868 -0.000 0.000 0.865 474 T HN -0.059 nan 8.240 nan 0.000 0.426 475 Q N 1.834 121.637 119.800 0.004 0.000 2.096 475 Q HA 0.098 4.438 4.340 0.000 0.000 0.204 475 Q C 2.495 178.500 176.000 0.008 0.000 0.982 475 Q CA 2.072 57.878 55.803 0.005 0.000 0.850 475 Q CB -1.117 27.622 28.738 0.002 0.000 0.901 475 Q HN 0.709 nan 8.270 nan 0.000 0.422 476 A N -0.035 122.788 122.820 0.005 0.000 1.933 476 A HA -0.135 4.185 4.320 0.000 0.000 0.218 476 A C 2.008 179.599 177.584 0.011 0.000 1.175 476 A CA 1.549 53.587 52.037 0.003 0.000 0.628 476 A CB -0.660 18.339 19.000 -0.002 0.000 0.814 476 A HN 0.459 nan 8.150 nan 0.000 0.444 477 I N -1.486 119.097 120.570 0.020 0.000 2.406 477 I HA -0.180 3.990 4.170 0.000 0.000 0.249 477 I C 2.675 178.829 176.117 0.061 0.000 1.122 477 I CA 1.124 62.450 61.300 0.043 0.000 1.431 477 I CB -0.684 37.352 38.000 0.059 0.000 1.087 477 I HN 0.426 nan 8.210 nan 0.000 0.424 478 Q N 0.735 120.560 119.800 0.042 0.000 1.984 478 Q HA -0.083 4.257 4.340 0.000 0.000 0.196 478 Q C 2.473 178.498 176.000 0.042 0.000 0.975 478 Q CA 1.411 57.239 55.803 0.042 0.000 0.827 478 Q CB 0.059 28.810 28.738 0.023 0.000 0.894 478 Q HN 0.241 nan 8.270 nan 0.000 0.438 479 S N 0.013 115.729 115.700 0.027 0.000 2.440 479 S HA -0.153 4.318 4.470 0.000 0.000 0.238 479 S C 1.661 176.275 174.600 0.023 0.000 1.010 479 S CA 0.998 59.211 58.200 0.022 0.000 0.972 479 S CB -0.114 63.094 63.200 0.012 0.000 0.774 479 S HN 0.461 nan 8.310 nan 0.000 0.501 480 A N 0.568 123.403 122.820 0.025 0.000 1.984 480 A HA 0.475 4.795 4.320 0.000 0.000 0.214 480 A C 2.243 179.848 177.584 0.035 0.000 1.173 480 A CA 1.040 53.088 52.037 0.018 0.000 0.673 480 A CB -0.749 18.254 19.000 0.004 0.000 0.830 480 A HN 0.473 nan 8.150 nan 0.000 0.453 481 A N 0.085 122.950 122.820 0.076 0.000 1.902 481 A HA -0.124 4.196 4.320 0.000 0.000 0.217 481 A C 1.692 179.361 177.584 0.141 0.000 1.181 481 A CA 1.545 53.672 52.037 0.150 0.000 0.623 481 A CB -0.297 18.852 19.000 0.248 0.000 0.818 481 A HN 0.541 nan 8.150 nan 0.000 0.443 482 E N -1.050 119.206 120.200 0.093 0.000 2.501 482 E HA 0.146 4.496 4.350 0.000 0.000 0.200 482 E C 0.934 177.559 176.600 0.043 0.000 1.016 482 E CA 0.125 56.567 56.400 0.069 0.000 0.921 482 E CB 0.404 30.137 29.700 0.055 0.000 1.034 482 E HN 0.449 nan 8.360 nan 0.000 0.468 483 S N -0.032 115.690 115.700 0.037 0.000 2.497 483 S HA -0.027 4.443 4.470 0.000 0.000 0.218 483 S C 1.888 176.499 174.600 0.019 0.000 1.023 483 S CA 0.734 58.948 58.200 0.023 0.000 0.913 483 S CB 0.355 63.564 63.200 0.015 0.000 0.800 483 S HN 0.340 nan 8.310 nan 0.000 0.505 484 T N -0.150 114.420 114.554 0.027 0.000 3.022 484 T HA 0.156 4.506 4.350 0.000 0.000 0.250 484 T C 1.399 176.111 174.700 0.020 0.000 1.060 484 T CA 0.456 62.566 62.100 0.017 0.000 1.013 484 T CB -0.048 68.826 68.868 0.010 0.000 0.982 484 T HN 0.610 nan 8.240 nan 0.000 0.508 485 E N 0.983 121.209 120.200 0.044 0.000 2.358 485 E HA 0.034 4.384 4.350 0.000 0.000 0.195 485 E C 2.063 178.666 176.600 0.006 0.000 1.010 485 E CA 0.214 56.630 56.400 0.026 0.000 0.856 485 E CB -0.180 29.559 29.700 0.065 0.000 0.795 485 E HN 0.410 nan 8.360 nan 0.000 0.504 486 M N 0.546 120.154 119.600 0.013 0.000 2.394 486 M HA 0.079 4.559 4.480 0.000 0.000 0.266 486 M C 1.623 177.922 176.300 -0.000 0.000 1.098 486 M CA 0.710 56.014 55.300 0.007 0.000 1.149 486 M CB 0.035 32.642 32.600 0.011 0.000 1.369 486 M HN 0.277 nan 8.290 nan 0.000 0.450 487 L N 0.632 121.855 121.223 -0.000 0.000 2.217 487 L HA -0.150 4.190 4.340 0.000 0.000 0.211 487 L C 2.216 179.081 176.870 -0.009 0.000 1.107 487 L CA 0.383 55.221 54.840 -0.004 0.000 0.783 487 L CB -0.526 41.533 42.059 -0.001 0.000 0.919 487 L HN 0.269 nan 8.230 nan 0.000 0.442 488 L N -0.036 121.176 121.223 -0.017 0.000 2.093 488 L HA -0.159 4.181 4.340 0.000 0.000 0.208 488 L C 2.434 179.277 176.870 -0.044 0.000 1.085 488 L CA 1.384 56.201 54.840 -0.038 0.000 0.755 488 L CB -0.689 41.333 42.059 -0.062 0.000 0.904 488 L HN 0.286 nan 8.230 nan 0.000 0.435 489 R N 0.876 121.357 120.500 -0.033 0.000 2.699 489 R HA -0.270 4.070 4.340 0.000 0.000 0.182 489 R C 0.780 177.075 176.300 -0.008 0.000 0.832 489 R CA 1.582 57.671 56.100 -0.018 0.000 0.686 489 R CB -2.149 28.144 30.300 -0.013 0.000 0.694 489 R HN 0.186 nan 8.270 nan 0.000 0.430 490 I N 2.820 123.391 120.570 0.001 0.000 3.359 490 I HA -0.201 3.969 4.170 0.000 0.000 0.356 490 I C 0.456 176.580 176.117 0.012 0.000 1.184 490 I CA 1.516 62.821 61.300 0.007 0.000 1.514 490 I CB -0.168 37.834 38.000 0.003 0.000 1.274 490 I HN 0.796 nan 8.210 nan 0.000 0.488 491 D N 4.431 124.845 120.400 0.023 0.000 2.848 491 D HA 0.144 4.784 4.640 0.000 0.000 0.303 491 D C -0.722 175.605 176.300 0.045 0.000 1.665 491 D CA -0.314 53.705 54.000 0.031 0.000 0.807 491 D CB 0.152 40.971 40.800 0.032 0.000 1.288 491 D HN 0.645 nan 8.370 nan 0.000 0.441 492 D N 0.315 120.743 120.400 0.047 0.000 2.614 492 D HA 0.195 4.836 4.640 0.000 0.000 0.203 492 D C -1.669 174.662 176.300 0.052 0.000 1.312 492 D CA -0.639 53.393 54.000 0.052 0.000 0.889 492 D CB 1.876 42.696 40.800 0.033 0.000 1.615 492 D HN -0.048 nan 8.370 nan 0.000 0.567 493 V N 4.828 124.795 119.914 0.088 0.000 2.326 493 V HA 0.641 4.762 4.120 0.000 0.000 0.281 493 V C -0.891 175.235 176.094 0.055 0.000 1.015 493 V CA -0.316 62.034 62.300 0.084 0.000 0.823 493 V CB 0.698 32.563 31.823 0.069 0.000 1.009 493 V HN 0.551 nan 8.190 nan 0.000 0.436 494 I N 6.654 127.234 120.570 0.015 0.000 2.377 494 I HA 0.899 5.069 4.170 0.000 0.000 0.293 494 I C 0.350 176.465 176.117 -0.003 0.000 0.987 494 I CA -0.288 61.005 61.300 -0.013 0.000 1.185 494 I CB 1.628 39.618 38.000 -0.018 0.000 1.341 494 I HN 0.879 nan 8.210 nan 0.000 0.455 495 A N 4.452 127.268 122.820 -0.007 0.000 2.599 495 A HA 1.005 5.325 4.320 0.000 0.000 0.290 495 A C -0.967 176.625 177.584 0.013 0.000 1.101 495 A CA 0.122 52.166 52.037 0.013 0.000 0.674 495 A CB 1.854 20.881 19.000 0.045 0.000 1.277 495 A HN 1.038 nan 8.150 nan 0.000 0.419 496 A N -0.186 122.648 122.820 0.023 0.000 4.887 496 A HA 0.875 5.195 4.320 0.000 0.000 0.228 496 A C -0.408 177.190 177.584 0.022 0.000 0.933 496 A CA 1.380 53.426 52.037 0.015 0.000 0.598 496 A CB -0.348 18.655 19.000 0.005 0.000 1.909 496 A HN 3.008 nan 8.150 nan 0.000 0.946 497 E N 0.000 120.209 120.200 0.015 0.000 2.725 497 E HA 0.000 4.350 4.350 0.000 0.000 0.291 497 E CA 0.000 56.410 56.400 0.016 0.000 0.976 497 E CB 0.000 29.714 29.700 0.023 0.000 0.812 497 E HN 0.000 nan 8.360 nan 0.000 0.440