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 2e9b_1_A DATA FIRST_RESID 1 DATA SEQUENCE MVSIRRSFEA YVDDMNIITV LIPAEQKEIM TPPFRLETEI TDFPLAVREE DATA SEQUENCE YSLEAKYKYV CVSDHPVTFG KIHCVRASSG HKTDLQIGAV IRTAAFDDEF DATA SEQUENCE YYDGELGAVY TADHTVFKVW APAATSAAVK LSHPNKSGRT FQMTRLEKGV DATA SEQUENCE YAVTVTGDLH GYEYLFCICN NSEWMETVDQ YAKAVTVNGE KGVVLRPDQM DATA SEQUENCE KWTAPLKPFS HPVDAVIYET HLRDFSIHEN SGMINKGKYL ALTETDTQTA DATA SEQUENCE NGSSSGLAYV KELGVTHVEL LPVNDFAGVD EEKPLDAYNW GYNPLHFFAP DATA SEQUENCE EGSYASNPHD PQTRKTELKQ MINTLHQHGL RVILDVVFNH VYKRENSPFE DATA SEQUENCE KTVPGYFFRH DECGKPSNGT GVGNDIASER RMARKFIADC VVYWLEEYNV DATA SEQUENCE DGFRFDLLGI LDIDTVLYMK EKATKAKPGI LLFGEGWDLA TPLPHEQKAA DATA SEQUENCE LANAPRMPGI GFFNDMFRDA VKGNTFHLKA TGFALGNGES AQAVMHGIAG DATA SEQUENCE SSGWKALAPI VPEPSQSINY VESHDNHTFW DKMSFALPQE NDSRKRSRQR DATA SEQUENCE LAVAIILLAQ GVPFIHSGQE FFRTKQGVEN SYQSSDSINQ LDWDRRETFK DATA SEQUENCE EDVHYIRRLI SLRKAHPAFR LRSAADIQRH LECLTLKEHL IAYRLYDLDE DATA SEQUENCE VDEWKDIIVI HHASPDSVEW RLPNDIPYRL LCDPSGFQED PTEIKKTVAV DATA SEQUENCE NGIGTVILYL AS 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 1 M HA 0.000 nan 4.480 nan 0.000 0.227 1 M C 0.000 176.314 176.300 0.023 0.000 1.140 1 M CA 0.000 55.313 55.300 0.022 0.000 0.988 1 M CB 0.000 32.614 32.600 0.024 0.000 1.302 2 V N 0.870 120.798 119.914 0.023 0.000 3.133 2 V HA 0.949 5.069 4.120 -0.000 0.000 0.305 2 V C 0.180 176.289 176.094 0.026 0.000 1.084 2 V CA 0.117 62.431 62.300 0.024 0.000 1.089 2 V CB 1.510 33.347 31.823 0.023 0.000 1.073 2 V HN 1.029 nan 8.190 nan 0.000 0.477 3 S N 1.226 116.941 115.700 0.025 0.000 2.615 3 S HA 0.571 5.041 4.470 -0.000 0.000 0.268 3 S C -0.835 173.777 174.600 0.020 0.000 1.146 3 S CA -0.997 57.218 58.200 0.024 0.000 0.818 3 S CB 0.695 63.910 63.200 0.026 0.000 1.111 3 S HN 0.875 nan 8.310 nan 0.000 0.465 4 I N 1.846 122.425 120.570 0.015 0.000 2.598 4 I HA 0.179 4.349 4.170 -0.000 0.000 0.284 4 I C 1.152 177.270 176.117 0.002 0.000 1.140 4 I CA -0.075 61.230 61.300 0.007 0.000 1.420 4 I CB 0.341 38.339 38.000 -0.004 0.000 1.387 4 I HN 0.554 nan 8.210 nan 0.000 0.553 5 R N 7.527 128.031 120.500 0.006 0.000 2.351 5 R HA 0.265 4.605 4.340 -0.000 0.000 0.318 5 R C -0.664 175.633 176.300 -0.004 0.000 1.055 5 R CA -0.099 56.006 56.100 0.009 0.000 0.968 5 R CB 0.377 30.688 30.300 0.017 0.000 0.974 5 R HN 0.623 nan 8.270 nan 0.000 0.439 6 R N 2.099 122.594 120.500 -0.009 0.000 2.686 6 R HA 0.219 4.559 4.340 -0.000 0.000 0.286 6 R C 0.739 177.036 176.300 -0.005 0.000 0.969 6 R CA -0.682 55.393 56.100 -0.043 0.000 0.898 6 R CB 2.099 32.340 30.300 -0.100 0.000 1.183 6 R HN 0.638 nan 8.270 nan 0.000 0.456 7 S N 1.864 117.566 115.700 0.003 0.000 2.354 7 S HA -0.076 4.394 4.470 -0.000 0.000 0.219 7 S C 0.483 175.204 174.600 0.201 0.000 1.035 7 S CA 1.560 59.843 58.200 0.138 0.000 1.037 7 S CB -0.135 63.241 63.200 0.293 0.000 0.956 7 S HN 0.539 nan 8.310 nan 0.000 0.428 8 F N -0.438 119.532 119.950 0.034 0.000 2.894 8 F HA 0.802 5.329 4.527 -0.000 0.000 0.332 8 F C -0.846 174.956 175.800 0.004 0.000 1.192 8 F CA -1.405 56.613 58.000 0.029 0.000 0.980 8 F CB 1.014 40.039 39.000 0.042 0.000 1.448 8 F HN -0.192 nan 8.300 nan 0.000 0.514 9 E N 0.298 120.603 120.200 0.175 0.000 2.299 9 E HA 0.767 5.117 4.350 -0.000 0.000 0.265 9 E C -1.556 175.055 176.600 0.019 0.000 0.911 9 E CA -1.562 54.818 56.400 -0.033 0.000 0.789 9 E CB 2.350 32.126 29.700 0.127 0.000 1.246 9 E HN 0.902 nan 8.360 nan 0.000 0.427 10 A N 1.891 124.535 122.820 -0.293 0.000 2.465 10 A HA 0.612 4.932 4.320 -0.000 0.000 0.292 10 A C -1.970 175.375 177.584 -0.397 0.000 1.041 10 A CA -0.592 51.343 52.037 -0.169 0.000 0.718 10 A CB 0.625 19.562 19.000 -0.104 0.000 1.266 10 A HN 0.514 nan 8.150 nan 0.000 0.403 11 Y N 0.423 120.696 120.300 -0.045 0.000 2.512 11 Y HA 0.540 5.090 4.550 -0.000 0.000 0.348 11 Y C 0.029 175.898 175.900 -0.053 0.000 0.990 11 Y CA -1.196 56.877 58.100 -0.045 0.000 1.033 11 Y CB 2.220 40.657 38.460 -0.037 0.000 1.259 11 Y HN 0.380 nan 8.280 nan 0.000 0.461 12 V N 2.827 122.802 119.914 0.102 0.000 2.320 12 V HA 0.142 4.262 4.120 -0.000 0.000 0.265 12 V C -0.189 175.943 176.094 0.063 0.000 1.048 12 V CA -0.341 61.985 62.300 0.043 0.000 0.865 12 V CB 0.499 32.329 31.823 0.012 0.000 1.043 12 V HN 0.813 nan 8.190 nan 0.000 0.474 13 D N 2.239 122.664 120.400 0.041 0.000 2.339 13 D HA 0.151 4.791 4.640 -0.000 0.000 0.217 13 D C 0.328 176.636 176.300 0.013 0.000 1.050 13 D CA 0.660 54.668 54.000 0.012 0.000 0.856 13 D CB 0.630 41.427 40.800 -0.004 0.000 0.922 13 D HN 0.596 nan 8.370 nan 0.000 0.518 14 D N -1.092 119.332 120.400 0.040 0.000 2.694 14 D HA 0.059 4.699 4.640 -0.000 0.000 0.260 14 D C 1.040 177.400 176.300 0.101 0.000 1.250 14 D CA -0.480 53.557 54.000 0.061 0.000 0.763 14 D CB 0.997 41.822 40.800 0.040 0.000 1.311 14 D HN -0.389 nan 8.370 nan 0.000 0.420 15 M N 0.920 120.604 119.600 0.141 0.000 2.413 15 M HA -0.153 4.327 4.480 -0.000 0.000 0.258 15 M C 0.986 177.332 176.300 0.077 0.000 1.081 15 M CA 1.531 56.935 55.300 0.174 0.000 1.047 15 M CB -1.178 31.521 32.600 0.165 0.000 1.390 15 M HN 0.523 nan 8.290 nan 0.000 0.438 16 N N -0.560 118.162 118.700 0.036 0.000 2.286 16 N HA 0.139 4.879 4.740 -0.000 0.000 0.245 16 N C -0.589 174.914 175.510 -0.012 0.000 1.363 16 N CA -0.263 52.782 53.050 -0.008 0.000 0.822 16 N CB 0.097 38.579 38.487 -0.007 0.000 1.345 16 N HN 0.361 nan 8.380 nan 0.000 0.494 17 I N -1.043 119.526 120.570 -0.001 0.000 2.466 17 I HA 0.631 4.801 4.170 -0.000 0.000 0.289 17 I C -1.494 174.618 176.117 -0.009 0.000 1.026 17 I CA -0.983 60.316 61.300 -0.002 0.000 1.078 17 I CB 1.570 39.576 38.000 0.011 0.000 1.249 17 I HN -0.037 nan 8.210 nan 0.000 0.429 18 I N 6.084 126.642 120.570 -0.020 0.000 2.378 18 I HA 0.374 4.544 4.170 -0.000 0.000 0.291 18 I C -0.266 175.839 176.117 -0.020 0.000 0.992 18 I CA -0.511 60.774 61.300 -0.025 0.000 1.154 18 I CB 2.105 40.071 38.000 -0.056 0.000 1.315 18 I HN 0.584 nan 8.210 nan 0.000 0.448 19 T N 5.893 120.458 114.554 0.018 0.000 2.733 19 T HA 0.361 4.711 4.350 -0.000 0.000 0.294 19 T C -0.153 174.571 174.700 0.040 0.000 0.956 19 T CA -0.329 61.780 62.100 0.015 0.000 0.987 19 T CB 0.976 69.859 68.868 0.026 0.000 0.920 19 T HN 0.155 nan 8.240 nan 0.000 0.470 20 V N 6.143 126.029 119.914 -0.046 0.000 2.394 20 V HA 0.450 4.569 4.120 -0.000 0.000 0.282 20 V C -0.132 175.997 176.094 0.059 0.000 1.031 20 V CA -0.735 61.530 62.300 -0.058 0.000 0.881 20 V CB 1.212 32.748 31.823 -0.478 0.000 0.982 20 V HN 0.716 nan 8.190 nan 0.000 0.451 21 L N 6.861 128.182 121.223 0.164 0.000 2.319 21 L HA 0.639 4.979 4.340 -0.000 0.000 0.281 21 L C -0.326 176.682 176.870 0.231 0.000 1.005 21 L CA -0.441 54.498 54.840 0.164 0.000 0.828 21 L CB 1.506 43.665 42.059 0.167 0.000 1.227 21 L HN 0.628 nan 8.230 nan 0.000 0.415 22 I N 1.472 122.170 120.570 0.212 0.000 2.412 22 I HA 0.584 4.754 4.170 -0.000 0.000 0.296 22 I C -2.385 173.835 176.117 0.172 0.000 0.987 22 I CA -2.493 58.928 61.300 0.201 0.000 1.180 22 I CB 1.884 39.985 38.000 0.168 0.000 1.340 22 I HN 0.303 nan 8.210 nan 0.000 0.455 23 P HA 0.023 nan 4.420 nan 0.000 0.267 23 P C 0.763 178.115 177.300 0.087 0.000 1.205 23 P CA 0.179 63.343 63.100 0.108 0.000 0.765 23 P CB 1.361 33.117 31.700 0.094 0.000 0.828 24 A N 5.566 128.435 122.820 0.082 0.000 1.883 24 A HA -0.276 4.044 4.320 -0.000 0.000 0.226 24 A C 1.310 178.914 177.584 0.034 0.000 1.512 24 A CA 2.567 54.642 52.037 0.063 0.000 0.738 24 A CB -1.821 17.211 19.000 0.053 0.000 0.848 24 A HN 0.670 nan 8.150 nan 0.000 0.477 25 E N 0.166 120.382 120.200 0.028 0.000 2.441 25 E HA 0.110 4.460 4.350 -0.000 0.000 0.210 25 E C 0.581 177.184 176.600 0.005 0.000 1.306 25 E CA 0.565 56.973 56.400 0.013 0.000 1.307 25 E CB -0.129 29.580 29.700 0.015 0.000 1.297 25 E HN 0.696 nan 8.360 nan 0.000 0.440 26 Q N -0.497 119.305 119.800 0.003 0.000 2.043 26 Q HA 0.102 4.442 4.340 -0.000 0.000 0.219 26 Q C 1.258 177.244 176.000 -0.024 0.000 0.762 26 Q CA 0.043 55.835 55.803 -0.018 0.000 0.943 26 Q CB 0.134 28.861 28.738 -0.018 0.000 1.194 26 Q HN 0.337 nan 8.270 nan 0.000 0.447 27 K N 1.590 121.983 120.400 -0.011 0.000 2.127 27 K HA -0.223 4.097 4.320 -0.000 0.000 0.208 27 K C 1.221 177.786 176.600 -0.057 0.000 1.047 27 K CA 1.655 57.922 56.287 -0.032 0.000 0.927 27 K CB 0.327 32.747 32.500 -0.133 0.000 0.716 27 K HN -0.095 nan 8.250 nan 0.000 0.450 28 E N -0.060 120.103 120.200 -0.061 0.000 2.442 28 E HA 0.102 4.452 4.350 -0.000 0.000 0.195 28 E C 1.370 177.939 176.600 -0.051 0.000 1.030 28 E CA 0.305 56.670 56.400 -0.058 0.000 0.869 28 E CB 0.261 29.930 29.700 -0.051 0.000 0.857 28 E HN 0.378 nan 8.360 nan 0.000 0.505 29 I N -0.761 119.776 120.570 -0.056 0.000 2.834 29 I HA 0.028 4.198 4.170 -0.000 0.000 0.239 29 I C 0.692 176.751 176.117 -0.096 0.000 1.073 29 I CA 0.187 61.450 61.300 -0.061 0.000 1.459 29 I CB -0.015 37.946 38.000 -0.065 0.000 1.288 29 I HN -0.054 nan 8.210 nan 0.000 0.455 30 M N 3.081 122.591 119.600 -0.150 0.000 2.821 30 M HA 0.093 4.573 4.480 -0.000 0.000 0.305 30 M C -0.120 176.061 176.300 -0.199 0.000 1.466 30 M CA 0.203 55.375 55.300 -0.213 0.000 1.526 30 M CB -0.451 31.961 32.600 -0.313 0.000 1.321 30 M HN 0.350 nan 8.290 nan 0.000 0.492 31 T N 0.571 114.965 114.554 -0.266 0.000 2.940 31 T HA 0.754 5.104 4.350 -0.000 0.000 0.288 31 T C -2.854 171.389 174.700 -0.762 0.000 1.045 31 T CA -2.310 59.585 62.100 -0.342 0.000 1.018 31 T CB 1.776 70.536 68.868 -0.180 0.000 1.151 31 T HN 0.111 nan 8.240 nan 0.000 0.529 32 P HA 0.398 nan 4.420 nan 0.000 0.274 32 P C -2.530 174.479 177.300 -0.486 0.000 1.256 32 P CA -1.243 61.274 63.100 -0.971 0.000 0.795 32 P CB -0.657 30.766 31.700 -0.462 0.000 1.038 33 P HA 0.216 nan 4.420 nan 0.000 0.274 33 P C -0.939 176.088 177.300 -0.455 0.000 1.237 33 P CA 0.249 63.163 63.100 -0.311 0.000 0.793 33 P CB 0.287 31.915 31.700 -0.120 0.000 0.977 34 F N 0.936 120.834 119.950 -0.086 0.000 2.523 34 F HA 0.612 5.139 4.527 -0.000 0.000 0.329 34 F C 1.035 176.833 175.800 -0.003 0.000 1.061 34 F CA -0.515 57.447 58.000 -0.064 0.000 0.967 34 F CB 1.757 40.698 39.000 -0.098 0.000 1.218 34 F HN -0.005 nan 8.300 nan 0.000 0.480 35 R N 1.411 122.051 120.500 0.234 0.000 2.651 35 R HA 0.543 4.883 4.340 -0.000 0.000 0.278 35 R C -1.995 174.405 176.300 0.167 0.000 1.010 35 R CA -1.156 55.043 56.100 0.166 0.000 0.896 35 R CB 2.503 32.870 30.300 0.111 0.000 1.211 35 R HN 0.466 nan 8.270 nan 0.000 0.456 36 L N 2.251 123.572 121.223 0.163 0.000 2.257 36 L HA 0.373 4.713 4.340 -0.000 0.000 0.290 36 L C -0.723 176.258 176.870 0.185 0.000 1.044 36 L CA 0.313 55.244 54.840 0.151 0.000 0.810 36 L CB 0.960 43.084 42.059 0.108 0.000 1.193 36 L HN 0.584 nan 8.230 nan 0.000 0.425 37 E N 2.817 123.108 120.200 0.152 0.000 2.299 37 E HA 0.845 5.195 4.350 -0.000 0.000 0.265 37 E C -0.828 175.833 176.600 0.101 0.000 0.911 37 E CA -0.769 55.707 56.400 0.126 0.000 0.789 37 E CB 2.065 31.812 29.700 0.079 0.000 1.246 37 E HN 0.682 nan 8.360 nan 0.000 0.427 38 T N -1.987 112.606 114.554 0.064 0.000 2.718 38 T HA 0.194 4.544 4.350 -0.000 0.000 0.306 38 T C -0.863 173.836 174.700 -0.002 0.000 1.485 38 T CA -1.125 60.968 62.100 -0.012 0.000 0.997 38 T CB 0.906 69.723 68.868 -0.086 0.000 1.504 38 T HN 0.196 nan 8.240 nan 0.000 0.497 39 E N 1.453 121.636 120.200 -0.027 0.000 2.493 39 E HA 0.222 4.572 4.350 -0.000 0.000 0.255 39 E C 1.161 177.765 176.600 0.006 0.000 0.999 39 E CA 1.073 57.466 56.400 -0.012 0.000 0.934 39 E CB -0.044 29.644 29.700 -0.019 0.000 0.940 39 E HN 1.273 nan 8.360 nan 0.000 0.473 40 I N 0.255 120.831 120.570 0.009 0.000 5.620 40 I HA -0.263 3.907 4.170 -0.000 0.000 0.127 40 I C -0.730 175.407 176.117 0.034 0.000 1.815 40 I CA 1.316 62.624 61.300 0.015 0.000 2.038 40 I CB -1.921 36.091 38.000 0.021 0.000 3.367 40 I HN 0.305 nan 8.210 nan 0.000 0.169 41 T N 1.166 115.749 114.554 0.049 0.000 2.906 41 T HA 0.706 5.056 4.350 -0.000 0.000 0.295 41 T C -0.822 173.907 174.700 0.048 0.000 1.075 41 T CA 0.137 62.302 62.100 0.107 0.000 1.005 41 T CB 2.436 71.445 68.868 0.234 0.000 1.136 41 T HN 0.405 nan 8.240 nan 0.000 0.498 42 D N 1.470 121.861 120.400 -0.015 0.000 2.540 42 D HA 0.130 4.770 4.640 -0.000 0.000 0.194 42 D C -1.609 174.576 176.300 -0.191 0.000 1.291 42 D CA -0.192 53.785 54.000 -0.038 0.000 1.158 42 D CB 0.096 40.849 40.800 -0.079 0.000 1.474 42 D HN 0.258 nan 8.370 nan 0.000 0.578 43 F N 2.095 122.064 119.950 0.032 0.000 2.557 43 F HA 0.660 5.187 4.527 -0.000 0.000 0.336 43 F C -1.702 174.118 175.800 0.034 0.000 1.058 43 F CA -1.482 56.534 58.000 0.028 0.000 0.988 43 F CB 1.387 40.402 39.000 0.025 0.000 1.275 43 F HN -0.029 nan 8.300 nan 0.000 0.488 44 P HA 0.421 nan 4.420 nan 0.000 0.287 44 P C -1.407 175.978 177.300 0.142 0.000 1.270 44 P CA -0.338 62.850 63.100 0.146 0.000 0.844 44 P CB 1.957 33.718 31.700 0.103 0.000 1.068 45 L N 1.413 122.712 121.223 0.127 0.000 2.343 45 L HA 0.561 4.901 4.340 -0.000 0.000 0.278 45 L C 0.451 177.390 176.870 0.114 0.000 0.996 45 L CA -0.924 53.985 54.840 0.114 0.000 0.831 45 L CB 1.750 43.884 42.059 0.125 0.000 1.232 45 L HN 0.405 nan 8.230 nan 0.000 0.413 46 A N 3.668 126.542 122.820 0.090 0.000 2.340 46 A HA 0.612 4.932 4.320 -0.000 0.000 0.268 46 A C -0.239 177.408 177.584 0.104 0.000 1.100 46 A CA -0.361 51.729 52.037 0.089 0.000 0.803 46 A CB 0.911 19.952 19.000 0.069 0.000 1.043 46 A HN 0.423 nan 8.150 nan 0.000 0.488 47 V N 3.810 123.800 119.914 0.126 0.000 2.333 47 V HA 0.234 4.354 4.120 -0.000 0.000 0.274 47 V C 1.485 177.648 176.094 0.116 0.000 1.028 47 V CA -0.225 62.168 62.300 0.155 0.000 0.851 47 V CB 0.687 32.657 31.823 0.247 0.000 1.000 47 V HN 1.100 nan 8.190 nan 0.000 0.456 48 R N 3.991 124.546 120.500 0.091 0.000 2.093 48 R HA 0.068 4.408 4.340 -0.000 0.000 0.224 48 R C 0.480 176.824 176.300 0.073 0.000 1.101 48 R CA 1.224 57.367 56.100 0.070 0.000 0.979 48 R CB 0.506 30.839 30.300 0.055 0.000 0.877 48 R HN 0.896 nan 8.270 nan 0.000 0.441 49 E N -0.416 119.829 120.200 0.074 0.000 2.416 49 E HA 0.153 4.503 4.350 -0.000 0.000 0.280 49 E C -1.805 174.788 176.600 -0.012 0.000 1.055 49 E CA -1.086 55.354 56.400 0.066 0.000 0.825 49 E CB 1.311 31.071 29.700 0.100 0.000 1.312 49 E HN 0.271 nan 8.360 nan 0.000 0.452 50 E N 0.578 120.740 120.200 -0.062 0.000 2.335 50 E HA 0.565 4.915 4.350 -0.000 0.000 0.280 50 E C -1.618 174.802 176.600 -0.300 0.000 0.918 50 E CA -0.937 55.222 56.400 -0.401 0.000 0.765 50 E CB 1.628 31.062 29.700 -0.444 0.000 1.218 50 E HN 0.633 nan 8.360 nan 0.000 0.425 51 Y N -0.888 119.024 120.300 -0.648 0.000 2.624 51 Y HA 0.623 5.173 4.550 -0.000 0.000 0.334 51 Y C -0.947 174.630 175.900 -0.538 0.000 1.155 51 Y CA -1.199 56.649 58.100 -0.419 0.000 1.046 51 Y CB 1.271 39.614 38.460 -0.196 0.000 1.316 51 Y HN 0.494 nan 8.280 nan 0.000 0.457 52 S N 1.447 117.192 115.700 0.075 0.000 2.586 52 S HA 0.712 5.182 4.470 -0.000 0.000 0.274 52 S C -0.589 174.103 174.600 0.154 0.000 1.281 52 S CA -0.241 58.054 58.200 0.158 0.000 1.035 52 S CB 0.444 63.833 63.200 0.314 0.000 0.962 52 S HN 0.583 nan 8.310 nan 0.000 0.512 53 L N 2.898 124.182 121.223 0.101 0.000 2.836 53 L HA 0.577 4.917 4.340 -0.000 0.000 0.216 53 L C 1.623 178.539 176.870 0.078 0.000 1.861 53 L CA 0.057 54.951 54.840 0.090 0.000 2.145 53 L CB -0.214 41.878 42.059 0.054 0.000 2.671 53 L HN 0.750 nan 8.230 nan 0.000 0.594 54 E N -1.004 119.231 120.200 0.058 0.000 2.460 54 E HA 0.246 4.596 4.350 -0.000 0.000 0.200 54 E C 0.599 177.229 176.600 0.050 0.000 1.011 54 E CA 0.709 57.139 56.400 0.050 0.000 0.912 54 E CB 0.538 30.260 29.700 0.037 0.000 0.953 54 E HN 0.569 nan 8.360 nan 0.000 0.494 55 A N 0.635 123.487 122.820 0.055 0.000 2.530 55 A HA 0.221 4.541 4.320 -0.000 0.000 0.214 55 A C 0.245 177.871 177.584 0.071 0.000 1.352 55 A CA -0.155 51.916 52.037 0.056 0.000 1.035 55 A CB 0.607 19.636 19.000 0.048 0.000 1.296 55 A HN -0.081 nan 8.150 nan 0.000 0.563 56 K N -1.455 118.992 120.400 0.079 0.000 2.509 56 K HA 0.567 4.887 4.320 -0.000 0.000 0.266 56 K C -1.827 174.846 176.600 0.121 0.000 0.987 56 K CA -0.701 55.646 56.287 0.100 0.000 0.868 56 K CB 1.842 34.390 32.500 0.081 0.000 1.421 56 K HN 0.087 nan 8.250 nan 0.000 0.444 57 Y N 1.504 121.799 120.300 -0.009 0.000 2.377 57 Y HA 0.394 4.944 4.550 -0.000 0.000 0.339 57 Y C -0.764 175.052 175.900 -0.140 0.000 1.011 57 Y CA -0.598 57.451 58.100 -0.085 0.000 1.093 57 Y CB 1.511 39.934 38.460 -0.062 0.000 1.201 57 Y HN 0.477 nan 8.280 nan 0.000 0.455 58 K N 4.574 124.447 120.400 -0.878 0.000 2.318 58 K HA 0.506 4.826 4.320 -0.000 0.000 0.249 58 K C -2.222 173.817 176.600 -0.935 0.000 0.942 58 K CA -0.601 55.259 56.287 -0.711 0.000 0.808 58 K CB 1.236 33.317 32.500 -0.699 0.000 1.189 58 K HN 0.681 nan 8.250 nan 0.000 0.428 59 Y N 1.155 121.215 120.300 -0.400 0.000 2.425 59 Y HA 0.354 4.904 4.550 -0.000 0.000 0.344 59 Y C -0.608 175.155 175.900 -0.228 0.000 0.969 59 Y CA -0.968 56.968 58.100 -0.273 0.000 1.052 59 Y CB 2.309 40.672 38.460 -0.162 0.000 1.215 59 Y HN 0.136 nan 8.280 nan 0.000 0.451 60 V N 3.590 123.492 119.914 -0.021 0.000 2.275 60 V HA 0.261 4.381 4.120 -0.000 0.000 0.272 60 V C -0.367 175.747 176.094 0.033 0.000 1.028 60 V CA -0.776 61.517 62.300 -0.012 0.000 0.810 60 V CB -0.177 31.643 31.823 -0.005 0.000 1.043 60 V HN 0.895 nan 8.190 nan 0.000 0.453 61 C N 4.490 123.799 119.300 0.016 0.000 2.382 61 C HA 0.783 5.243 4.460 -0.000 0.000 0.363 61 C C 0.428 175.429 174.990 0.020 0.000 1.213 61 C CA -0.731 58.304 59.018 0.029 0.000 2.363 61 C CB 1.188 28.927 27.740 -0.002 0.000 2.397 61 C HN 0.573 nan 8.230 nan 0.000 0.573 62 V N 2.071 122.004 119.914 0.032 0.000 2.769 62 V HA 0.730 4.850 4.120 -0.000 0.000 0.312 62 V C 0.008 176.111 176.094 0.015 0.000 1.061 62 V CA -0.214 62.098 62.300 0.020 0.000 0.931 62 V CB 2.097 33.936 31.823 0.027 0.000 1.010 62 V HN 1.063 nan 8.190 nan 0.000 0.433 63 S N 0.546 116.240 115.700 -0.010 0.000 2.536 63 S HA 0.478 4.948 4.470 -0.000 0.000 0.298 63 S C -0.010 174.564 174.600 -0.044 0.000 1.083 63 S CA -0.731 57.451 58.200 -0.030 0.000 0.995 63 S CB 1.932 65.085 63.200 -0.078 0.000 1.058 63 S HN 0.615 nan 8.310 nan 0.000 0.488 64 D N 0.762 121.132 120.400 -0.050 0.000 2.224 64 D HA 0.120 4.760 4.640 -0.000 0.000 0.205 64 D C 1.041 177.277 176.300 -0.108 0.000 0.965 64 D CA 1.835 55.807 54.000 -0.047 0.000 0.852 64 D CB -0.514 40.291 40.800 0.008 0.000 0.947 64 D HN 0.888 nan 8.370 nan 0.000 0.494 65 H N 0.129 119.069 119.070 -0.216 0.000 2.572 65 H HA 0.590 5.146 4.556 -0.000 0.000 0.359 65 H C -2.617 172.596 175.328 -0.192 0.000 1.134 65 H CA -2.387 53.519 56.048 -0.237 0.000 1.187 65 H CB 0.735 30.241 29.762 -0.427 0.000 1.597 65 H HN -0.203 nan 8.280 nan 0.000 0.524 66 P HA 0.194 nan 4.420 nan 0.000 0.271 66 P C 0.044 177.268 177.300 -0.126 0.000 1.220 66 P CA -0.251 62.801 63.100 -0.078 0.000 0.768 66 P CB 0.783 32.474 31.700 -0.015 0.000 0.848 67 V N 3.218 123.017 119.914 -0.192 0.000 2.814 67 V HA 0.031 4.151 4.120 -0.000 0.000 0.307 67 V C 0.932 176.839 176.094 -0.311 0.000 1.089 67 V CA 0.604 62.682 62.300 -0.370 0.000 1.212 67 V CB -0.078 31.374 31.823 -0.620 0.000 0.912 67 V HN 0.713 nan 8.190 nan 0.000 0.497 68 T N 2.505 116.945 114.554 -0.190 0.000 2.801 68 T HA 0.587 4.937 4.350 -0.000 0.000 0.306 68 T C -0.579 174.170 174.700 0.082 0.000 1.020 68 T CA -0.516 61.597 62.100 0.023 0.000 0.948 68 T CB -0.086 68.840 68.868 0.096 0.000 0.962 68 T HN 0.176 nan 8.240 nan 0.000 0.465 69 F N 1.986 122.086 119.950 0.250 0.000 2.496 69 F HA 0.481 5.008 4.527 -0.000 0.000 0.344 69 F C 1.821 177.682 175.800 0.102 0.000 1.155 69 F CA 1.093 59.203 58.000 0.183 0.000 1.302 69 F CB 0.306 39.367 39.000 0.102 0.000 1.159 69 F HN 0.935 nan 8.300 nan 0.000 0.595 70 G N 0.541 109.473 108.800 0.220 0.000 2.278 70 G HA2 -0.176 3.784 3.960 -0.000 0.000 0.210 70 G HA3 -0.176 3.784 3.960 -0.000 0.000 0.210 70 G C 0.001 174.930 174.900 0.049 0.000 1.000 70 G CA -0.604 44.566 45.100 0.117 0.000 0.635 70 G HN 0.413 nan 8.290 nan 0.000 0.495 71 K N 0.469 120.861 120.400 -0.012 0.000 2.259 71 K HA 0.656 4.976 4.320 -0.000 0.000 0.249 71 K C 0.211 176.631 176.600 -0.301 0.000 0.942 71 K CA -0.877 55.317 56.287 -0.154 0.000 0.816 71 K CB 2.024 34.395 32.500 -0.216 0.000 1.155 71 K HN 0.264 nan 8.250 nan 0.000 0.428 72 I N 3.621 124.046 120.570 -0.242 0.000 2.556 72 I HA 0.019 4.189 4.170 -0.000 0.000 0.284 72 I C 0.581 176.497 176.117 -0.335 0.000 1.114 72 I CA 0.161 61.340 61.300 -0.202 0.000 1.418 72 I CB 0.270 38.205 38.000 -0.108 0.000 1.394 72 I HN 0.220 nan 8.210 nan 0.000 0.552 73 H N 4.830 123.864 119.070 -0.059 0.000 2.529 73 H HA 0.414 4.970 4.556 -0.000 0.000 0.348 73 H C -0.976 174.322 175.328 -0.050 0.000 1.152 73 H CA -0.579 55.438 56.048 -0.053 0.000 1.202 73 H CB 2.113 31.827 29.762 -0.079 0.000 1.562 73 H HN 0.519 nan 8.280 nan 0.000 0.515 74 C N 2.486 121.842 119.300 0.095 0.000 2.455 74 C HA 0.385 4.845 4.460 -0.000 0.000 0.320 74 C C 0.108 175.148 174.990 0.085 0.000 1.226 74 C CA -0.648 58.401 59.018 0.051 0.000 1.569 74 C CB 1.338 29.100 27.740 0.036 0.000 2.200 74 C HN 0.507 nan 8.230 nan 0.000 0.491 75 V N 4.411 124.373 119.914 0.080 0.000 2.357 75 V HA 0.518 4.638 4.120 -0.000 0.000 0.284 75 V C 0.116 176.396 176.094 0.310 0.000 1.018 75 V CA -0.424 61.980 62.300 0.173 0.000 0.841 75 V CB 1.236 33.156 31.823 0.161 0.000 0.991 75 V HN 0.809 nan 8.190 nan 0.000 0.437 76 R N 3.811 124.491 120.500 0.300 0.000 2.445 76 R HA 0.785 5.125 4.340 -0.000 0.000 0.308 76 R C -0.197 176.277 176.300 0.289 0.000 0.961 76 R CA -0.302 55.975 56.100 0.295 0.000 0.862 76 R CB 1.583 31.979 30.300 0.160 0.000 1.144 76 R HN 0.788 nan 8.270 nan 0.000 0.447 77 A N 1.918 124.882 122.820 0.239 0.000 2.264 77 A HA 0.245 4.565 4.320 -0.000 0.000 0.304 77 A C 1.111 178.622 177.584 -0.121 0.000 1.100 77 A CA -0.114 51.877 52.037 -0.076 0.000 0.839 77 A CB 1.005 19.914 19.000 -0.152 0.000 1.121 77 A HN 0.980 nan 8.150 nan 0.000 0.496 78 S N 0.255 115.787 115.700 -0.279 0.000 2.419 78 S HA -0.188 4.282 4.470 -0.000 0.000 0.235 78 S C 1.681 176.238 174.600 -0.071 0.000 1.019 78 S CA 1.833 59.931 58.200 -0.170 0.000 0.982 78 S CB -0.838 62.233 63.200 -0.214 0.000 0.789 78 S HN 1.554 nan 8.310 nan 0.000 0.490 79 S N 0.383 116.065 115.700 -0.030 0.000 2.603 79 S HA 0.386 4.856 4.470 -0.000 0.000 0.229 79 S C 1.698 176.361 174.600 0.105 0.000 0.972 79 S CA 0.727 58.971 58.200 0.074 0.000 0.935 79 S CB -0.728 62.572 63.200 0.167 0.000 0.769 79 S HN 1.496 nan 8.310 nan 0.000 0.536 80 G N 0.308 109.154 108.800 0.076 0.000 2.258 80 G HA2 -0.242 3.717 3.960 -0.000 0.000 0.233 80 G HA3 -0.242 3.717 3.960 -0.000 0.000 0.233 80 G C -0.003 174.931 174.900 0.057 0.000 1.006 80 G CA 0.090 45.208 45.100 0.030 0.000 0.620 80 G HN 0.686 nan 8.290 nan 0.000 0.511 81 H N 1.277 120.419 119.070 0.120 0.000 2.913 81 H HA 0.597 5.153 4.556 -0.000 0.000 0.365 81 H C 0.839 176.356 175.328 0.316 0.000 1.155 81 H CA 1.009 57.187 56.048 0.218 0.000 1.417 81 H CB 0.493 30.442 29.762 0.311 0.000 1.386 81 H HN 0.453 nan 8.280 nan 0.000 0.614 82 K N 0.227 120.829 120.400 0.336 0.000 2.466 82 K HA 0.624 4.944 4.320 -0.000 0.000 0.260 82 K C -0.793 175.721 176.600 -0.143 0.000 1.011 82 K CA -0.948 55.441 56.287 0.171 0.000 0.871 82 K CB 2.753 35.300 32.500 0.078 0.000 1.404 82 K HN 0.558 nan 8.250 nan 0.000 0.450 83 T N 0.460 114.843 114.554 -0.286 0.000 2.830 83 T HA 0.132 4.482 4.350 -0.000 0.000 0.322 83 T C -2.126 172.420 174.700 -0.257 0.000 1.501 83 T CA -0.876 60.959 62.100 -0.441 0.000 1.036 83 T CB 1.074 69.351 68.868 -0.986 0.000 1.379 83 T HN 0.718 nan 8.240 nan 0.000 0.493 84 D N 3.110 123.379 120.400 -0.218 0.000 2.255 84 D HA 0.205 4.845 4.640 -0.000 0.000 0.249 84 D C 0.148 176.342 176.300 -0.176 0.000 1.078 84 D CA -0.534 53.379 54.000 -0.146 0.000 0.896 84 D CB 0.924 41.654 40.800 -0.117 0.000 1.194 84 D HN 0.493 nan 8.370 nan 0.000 0.429 85 L N 1.421 122.582 121.223 -0.103 0.000 2.477 85 L HA 0.024 4.364 4.340 -0.000 0.000 0.272 85 L C 0.654 177.437 176.870 -0.145 0.000 1.157 85 L CA 0.164 54.928 54.840 -0.125 0.000 0.889 85 L CB 0.509 42.534 42.059 -0.056 0.000 1.158 85 L HN 0.380 nan 8.230 nan 0.000 0.473 86 Q N 3.351 123.001 119.800 -0.250 0.000 2.194 86 Q HA 0.501 4.841 4.340 -0.000 0.000 0.245 86 Q C -0.647 175.327 176.000 -0.044 0.000 0.993 86 Q CA -0.931 54.750 55.803 -0.203 0.000 0.930 86 Q CB 2.325 30.816 28.738 -0.412 0.000 1.238 86 Q HN 0.547 nan 8.270 nan 0.000 0.486 87 I N 1.092 121.692 120.570 0.050 0.000 2.416 87 I HA 0.223 4.393 4.170 -0.000 0.000 0.288 87 I C 0.659 176.880 176.117 0.174 0.000 1.051 87 I CA -0.055 61.303 61.300 0.097 0.000 1.375 87 I CB 0.767 38.795 38.000 0.047 0.000 1.407 87 I HN 0.662 nan 8.210 nan 0.000 0.516 88 G N 3.510 112.382 108.800 0.120 0.000 3.019 88 G HA2 0.498 4.458 3.960 -0.000 0.000 0.152 88 G HA3 0.498 4.458 3.960 -0.000 0.000 0.152 88 G C 0.671 175.545 174.900 -0.045 0.000 1.320 88 G CA 0.106 45.250 45.100 0.073 0.000 1.013 88 G HN 0.638 nan 8.290 nan 0.000 0.593 89 A N -0.955 121.819 122.820 -0.075 0.000 2.251 89 A HA 0.344 4.664 4.320 -0.000 0.000 0.209 89 A C 2.138 179.638 177.584 -0.140 0.000 1.187 89 A CA 0.954 52.916 52.037 -0.126 0.000 0.823 89 A CB -0.324 18.606 19.000 -0.117 0.000 0.846 89 A HN 0.907 nan 8.150 nan 0.000 0.486 90 V N 1.335 121.177 119.914 -0.120 0.000 2.546 90 V HA -0.293 3.827 4.120 -0.000 0.000 0.254 90 V C 2.188 178.042 176.094 -0.401 0.000 1.076 90 V CA 2.414 64.633 62.300 -0.135 0.000 1.087 90 V CB -0.698 31.124 31.823 -0.001 0.000 0.674 90 V HN 0.704 nan 8.190 nan 0.000 0.470 91 I N -1.345 118.862 120.570 -0.605 0.000 2.454 91 I HA -0.192 3.978 4.170 -0.000 0.000 0.254 91 I C 2.285 178.274 176.117 -0.212 0.000 1.156 91 I CA 1.676 62.472 61.300 -0.841 0.000 1.433 91 I CB -0.722 37.003 38.000 -0.458 0.000 1.082 91 I HN 0.188 nan 8.210 nan 0.000 0.432 92 R N 1.576 121.986 120.500 -0.150 0.000 2.334 92 R HA 0.131 4.471 4.340 -0.000 0.000 0.220 92 R C 0.486 176.778 176.300 -0.014 0.000 0.917 92 R CA 0.405 56.453 56.100 -0.086 0.000 1.073 92 R CB -0.158 30.063 30.300 -0.132 0.000 1.056 92 R HN 0.541 nan 8.270 nan 0.000 0.506 93 T N -2.947 111.632 114.554 0.043 0.000 2.909 93 T HA 0.405 4.755 4.350 -0.000 0.000 0.289 93 T C 1.373 176.164 174.700 0.153 0.000 1.005 93 T CA -0.383 61.769 62.100 0.086 0.000 1.084 93 T CB 2.057 70.985 68.868 0.100 0.000 0.975 93 T HN 0.050 nan 8.240 nan 0.000 0.509 94 A N 1.954 124.831 122.820 0.095 0.000 1.972 94 A HA 0.215 4.535 4.320 -0.000 0.000 0.219 94 A C 2.576 180.226 177.584 0.109 0.000 1.169 94 A CA 1.508 53.595 52.037 0.084 0.000 0.635 94 A CB -1.384 17.637 19.000 0.034 0.000 0.810 94 A HN 1.220 nan 8.150 nan 0.000 0.446 95 A N -1.252 121.639 122.820 0.119 0.000 1.933 95 A HA -0.036 4.284 4.320 -0.000 0.000 0.218 95 A C 2.011 179.690 177.584 0.158 0.000 1.175 95 A CA 1.550 53.653 52.037 0.110 0.000 0.628 95 A CB -0.645 18.420 19.000 0.108 0.000 0.814 95 A HN 0.638 nan 8.150 nan 0.000 0.444 96 F N 0.770 120.776 119.950 0.094 0.000 2.113 96 F HA -0.121 4.406 4.527 -0.000 0.000 0.297 96 F C 1.923 177.863 175.800 0.234 0.000 1.103 96 F CA 1.901 59.995 58.000 0.158 0.000 1.248 96 F CB -0.193 38.892 39.000 0.142 0.000 0.999 96 F HN 0.232 nan 8.300 nan 0.000 0.475 97 D N 0.514 121.125 120.400 0.352 0.000 2.092 97 D HA -0.191 4.449 4.640 -0.000 0.000 0.193 97 D C 1.843 178.235 176.300 0.153 0.000 0.994 97 D CA 1.693 55.873 54.000 0.300 0.000 0.828 97 D CB -0.397 40.555 40.800 0.254 0.000 0.963 97 D HN 0.273 nan 8.370 nan 0.000 0.450 98 D N -0.133 120.309 120.400 0.071 0.000 2.144 98 D HA -0.155 4.485 4.640 -0.000 0.000 0.199 98 D C 1.943 178.216 176.300 -0.045 0.000 0.984 98 D CA 0.842 54.851 54.000 0.015 0.000 0.834 98 D CB -0.211 40.583 40.800 -0.010 0.000 0.955 98 D HN 0.340 nan 8.370 nan 0.000 0.465 99 E N -0.387 119.708 120.200 -0.174 0.000 2.106 99 E HA -0.097 4.253 4.350 -0.000 0.000 0.192 99 E C 1.200 177.449 176.600 -0.585 0.000 0.984 99 E CA 0.995 57.126 56.400 -0.449 0.000 0.806 99 E CB -0.222 29.051 29.700 -0.712 0.000 0.750 99 E HN 0.298 nan 8.360 nan 0.000 0.458 100 F N -0.973 118.906 119.950 -0.118 0.000 2.678 100 F HA 0.194 4.721 4.527 -0.000 0.000 0.305 100 F C 0.045 175.987 175.800 0.237 0.000 1.090 100 F CA -0.734 57.262 58.000 -0.006 0.000 1.272 100 F CB 0.077 38.922 39.000 -0.257 0.000 1.060 100 F HN -0.065 nan 8.300 nan 0.000 0.576 101 Y N 1.678 122.084 120.300 0.178 0.000 2.805 101 Y HA -0.026 4.524 4.550 -0.000 0.000 0.331 101 Y C -0.604 175.364 175.900 0.113 0.000 1.241 101 Y CA -0.724 57.410 58.100 0.056 0.000 1.546 101 Y CB -0.224 38.227 38.460 -0.016 0.000 1.248 101 Y HN 0.137 nan 8.280 nan 0.000 0.559 102 Y N 6.136 125.881 120.300 -0.925 0.000 2.364 102 Y HA 0.276 4.826 4.550 -0.000 0.000 0.340 102 Y C -0.002 175.340 175.900 -0.929 0.000 0.975 102 Y CA -1.539 56.168 58.100 -0.654 0.000 1.089 102 Y CB 1.626 39.899 38.460 -0.313 0.000 1.192 102 Y HN 0.751 nan 8.280 nan 0.000 0.454 103 D N 2.454 122.228 120.400 -1.043 0.000 2.369 103 D HA 0.212 4.852 4.640 -0.000 0.000 0.211 103 D C 0.850 176.699 176.300 -0.752 0.000 1.077 103 D CA 0.487 54.061 54.000 -0.711 0.000 0.842 103 D CB 0.220 40.876 40.800 -0.241 0.000 0.947 103 D HN 0.774 nan 8.370 nan 0.000 0.509 104 G N -0.006 107.907 108.800 -1.478 0.000 2.535 104 G HA2 0.317 4.277 3.960 -0.000 0.000 0.282 104 G HA3 0.317 4.277 3.960 -0.000 0.000 0.282 104 G C -0.299 174.333 174.900 -0.447 0.000 1.350 104 G CA -0.625 43.963 45.100 -0.853 0.000 1.039 104 G HN 0.330 nan 8.290 nan 0.000 0.509 105 E N -1.053 119.061 120.200 -0.143 0.000 2.313 105 E HA 0.551 4.901 4.350 -0.000 0.000 0.272 105 E C -0.804 175.773 176.600 -0.038 0.000 1.038 105 E CA -0.582 55.750 56.400 -0.112 0.000 0.863 105 E CB 1.558 31.203 29.700 -0.092 0.000 1.060 105 E HN 0.235 nan 8.360 nan 0.000 0.402 106 L N 1.547 122.612 121.223 -0.263 0.000 2.323 106 L HA 0.724 5.064 4.340 -0.000 0.000 0.265 106 L C 0.538 177.220 176.870 -0.314 0.000 1.012 106 L CA -0.310 54.382 54.840 -0.247 0.000 0.820 106 L CB 1.944 43.808 42.059 -0.325 0.000 1.334 106 L HN 1.030 nan 8.230 nan 0.000 0.427 107 G N 1.161 109.969 108.800 0.013 0.000 2.341 107 G HA2 0.155 4.115 3.960 -0.000 0.000 0.196 107 G HA3 0.155 4.115 3.960 -0.000 0.000 0.196 107 G C -1.304 173.683 174.900 0.145 0.000 1.231 107 G CA -0.207 44.991 45.100 0.165 0.000 1.155 107 G HN 0.940 nan 8.290 nan 0.000 0.529 108 A N -0.448 122.382 122.820 0.017 0.000 2.256 108 A HA 0.717 5.036 4.320 -0.000 0.000 0.317 108 A C -0.161 177.286 177.584 -0.227 0.000 1.318 108 A CA -0.166 51.704 52.037 -0.279 0.000 0.894 108 A CB 1.263 19.979 19.000 -0.474 0.000 1.165 108 A HN 1.724 nan 8.150 nan 0.000 0.525 109 V N 3.852 123.614 119.914 -0.254 0.000 2.333 109 V HA 0.203 4.323 4.120 -0.000 0.000 0.274 109 V C -0.357 175.622 176.094 -0.191 0.000 1.028 109 V CA -0.366 61.839 62.300 -0.158 0.000 0.851 109 V CB 0.301 32.050 31.823 -0.123 0.000 1.000 109 V HN 0.797 nan 8.190 nan 0.000 0.456 110 Y N 3.934 124.096 120.300 -0.229 0.000 2.335 110 Y HA 0.663 5.212 4.550 -0.000 0.000 0.323 110 Y C 0.321 176.092 175.900 -0.214 0.000 1.224 110 Y CA 0.223 58.189 58.100 -0.224 0.000 1.241 110 Y CB 1.815 40.188 38.460 -0.144 0.000 1.235 110 Y HN 0.615 nan 8.280 nan 0.000 0.492 111 T N 3.753 117.516 114.554 -1.318 0.000 3.012 111 T HA 0.457 4.807 4.350 -0.000 0.000 0.330 111 T C 0.221 174.144 174.700 -1.295 0.000 1.321 111 T CA -0.014 61.482 62.100 -1.005 0.000 1.067 111 T CB 1.231 69.619 68.868 -0.799 0.000 1.235 111 T HN 0.830 nan 8.240 nan 0.000 0.479 112 A N 1.837 124.263 122.820 -0.657 0.000 2.019 112 A HA -0.035 4.285 4.320 -0.000 0.000 0.219 112 A C 1.703 179.163 177.584 -0.207 0.000 1.164 112 A CA 2.466 54.328 52.037 -0.292 0.000 0.644 112 A CB -0.599 18.382 19.000 -0.031 0.000 0.805 112 A HN 0.911 nan 8.150 nan 0.000 0.449 113 D N -1.649 118.632 120.400 -0.199 0.000 2.137 113 D HA -0.044 4.596 4.640 -0.000 0.000 0.202 113 D C 0.742 177.067 176.300 0.041 0.000 0.970 113 D CA 1.307 55.298 54.000 -0.015 0.000 0.837 113 D CB 0.146 41.025 40.800 0.131 0.000 0.981 113 D HN 0.705 nan 8.370 nan 0.000 0.475 114 H N -3.368 115.569 119.070 -0.222 0.000 2.967 114 H HA 0.437 4.992 4.556 -0.000 0.000 0.318 114 H C -1.455 173.719 175.328 -0.256 0.000 1.375 114 H CA -0.892 55.045 56.048 -0.184 0.000 1.132 114 H CB 0.681 30.370 29.762 -0.123 0.000 1.848 114 H HN -0.209 nan 8.280 nan 0.000 0.524 115 T N 1.649 116.101 114.554 -0.170 0.000 2.848 115 T HA 0.423 4.773 4.350 -0.000 0.000 0.285 115 T C -0.389 174.180 174.700 -0.219 0.000 0.995 115 T CA -0.583 61.334 62.100 -0.306 0.000 0.970 115 T CB 1.696 70.365 68.868 -0.331 0.000 0.976 115 T HN 0.416 nan 8.240 nan 0.000 0.441 116 V N 4.207 123.956 119.914 -0.275 0.000 2.427 116 V HA 0.561 4.681 4.120 -0.000 0.000 0.286 116 V C -0.811 175.125 176.094 -0.263 0.000 1.034 116 V CA -0.694 61.538 62.300 -0.114 0.000 0.893 116 V CB 0.736 32.541 31.823 -0.029 0.000 0.982 116 V HN 0.759 nan 8.190 nan 0.000 0.452 117 F N 3.558 123.554 119.950 0.075 0.000 2.469 117 F HA 0.678 5.205 4.527 -0.000 0.000 0.332 117 F C 0.347 176.208 175.800 0.102 0.000 1.103 117 F CA -0.618 57.468 58.000 0.144 0.000 0.979 117 F CB 1.761 40.912 39.000 0.252 0.000 1.137 117 F HN 0.269 nan 8.300 nan 0.000 0.463 118 K N 2.242 122.807 120.400 0.275 0.000 2.501 118 K HA 0.735 5.055 4.320 -0.000 0.000 0.252 118 K C -1.814 174.845 176.600 0.099 0.000 0.934 118 K CA -0.942 55.416 56.287 0.118 0.000 0.797 118 K CB 3.235 35.779 32.500 0.074 0.000 1.270 118 K HN 0.427 nan 8.250 nan 0.000 0.431 119 V N 2.653 122.563 119.914 -0.005 0.000 2.888 119 V HA 0.487 4.607 4.120 -0.000 0.000 0.309 119 V C -1.972 174.228 176.094 0.177 0.000 1.114 119 V CA -0.679 61.656 62.300 0.059 0.000 0.940 119 V CB 1.597 33.239 31.823 -0.302 0.000 1.021 119 V HN 0.857 nan 8.190 nan 0.000 0.426 120 W N 6.807 128.159 121.300 0.088 0.000 2.342 120 W HA 0.738 5.398 4.660 -0.000 0.000 0.310 120 W C 0.003 176.562 176.519 0.067 0.000 1.128 120 W CA -0.087 57.287 57.345 0.048 0.000 1.322 120 W CB 1.169 30.687 29.460 0.096 0.000 1.251 120 W HN 0.833 nan 8.180 nan 0.000 0.439 121 A N 9.395 132.041 122.820 -0.289 0.000 3.266 121 A HA 0.297 4.617 4.320 -0.000 0.000 0.310 121 A C -1.660 175.633 177.584 -0.486 0.000 1.066 121 A CA -0.864 50.967 52.037 -0.342 0.000 0.839 121 A CB 0.541 19.462 19.000 -0.133 0.000 1.192 121 A HN 0.492 nan 8.150 nan 0.000 0.496 122 P HA -0.137 nan 4.420 nan 0.000 0.220 122 P C 1.091 177.968 177.300 -0.705 0.000 1.148 122 P CA 1.768 64.195 63.100 -1.122 0.000 0.803 122 P CB 0.341 30.916 31.700 -1.876 0.000 0.782 123 A N -0.997 121.564 122.820 -0.432 0.000 2.308 123 A HA 0.517 4.837 4.320 -0.000 0.000 0.217 123 A C 1.341 178.899 177.584 -0.043 0.000 1.216 123 A CA 0.152 52.100 52.037 -0.148 0.000 0.864 123 A CB -0.522 18.385 19.000 -0.154 0.000 0.902 123 A HN 0.290 nan 8.150 nan 0.000 0.499 124 A N -0.457 122.303 122.820 -0.099 0.000 2.259 124 A HA 0.513 4.833 4.320 -0.000 0.000 0.278 124 A C 1.280 178.840 177.584 -0.040 0.000 1.107 124 A CA 0.593 52.556 52.037 -0.124 0.000 0.828 124 A CB 0.158 19.007 19.000 -0.252 0.000 1.111 124 A HN 0.672 nan 8.150 nan 0.000 0.498 125 T N -3.202 111.271 114.554 -0.135 0.000 2.975 125 T HA 0.469 4.819 4.350 -0.000 0.000 0.257 125 T C 0.327 174.986 174.700 -0.069 0.000 1.003 125 T CA 0.602 62.669 62.100 -0.056 0.000 0.932 125 T CB -0.056 68.754 68.868 -0.096 0.000 1.087 125 T HN 0.636 nan 8.240 nan 0.000 0.512 126 S N -0.243 115.279 115.700 -0.297 0.000 2.587 126 S HA 0.823 5.293 4.470 -0.000 0.000 0.269 126 S C -1.607 172.637 174.600 -0.593 0.000 1.154 126 S CA -0.528 57.497 58.200 -0.291 0.000 0.824 126 S CB 1.693 64.816 63.200 -0.128 0.000 1.118 126 S HN 0.903 nan 8.310 nan 0.000 0.462 127 A N 0.215 122.845 122.820 -0.316 0.000 2.608 127 A HA 0.981 5.301 4.320 -0.000 0.000 0.292 127 A C -1.455 176.188 177.584 0.098 0.000 1.066 127 A CA -0.169 51.735 52.037 -0.221 0.000 0.676 127 A CB 1.084 19.635 19.000 -0.749 0.000 1.277 127 A HN 1.835 nan 8.150 nan 0.000 0.413 128 A N -0.347 122.568 122.820 0.159 0.000 2.606 128 A HA 0.788 5.108 4.320 -0.000 0.000 0.293 128 A C -1.548 176.132 177.584 0.161 0.000 1.082 128 A CA -0.134 51.985 52.037 0.135 0.000 0.685 128 A CB 1.237 20.284 19.000 0.079 0.000 1.284 128 A HN 2.181 nan 8.150 nan 0.000 0.408 129 V N 1.232 121.218 119.914 0.120 0.000 2.417 129 V HA 0.610 4.730 4.120 -0.000 0.000 0.291 129 V C -0.205 175.879 176.094 -0.016 0.000 1.024 129 V CA -0.545 61.830 62.300 0.125 0.000 0.861 129 V CB 1.318 33.068 31.823 -0.121 0.000 0.985 129 V HN 0.849 nan 8.190 nan 0.000 0.436 130 K N 7.015 127.421 120.400 0.010 0.000 2.263 130 K HA 0.581 4.901 4.320 -0.000 0.000 0.272 130 K C -1.353 175.237 176.600 -0.016 0.000 1.033 130 K CA -0.555 55.703 56.287 -0.047 0.000 0.884 130 K CB 0.913 33.395 32.500 -0.030 0.000 1.107 130 K HN 0.716 nan 8.250 nan 0.000 0.460 131 L N 3.372 124.575 121.223 -0.035 0.000 2.317 131 L HA 0.468 4.807 4.340 -0.000 0.000 0.281 131 L C -0.191 176.755 176.870 0.127 0.000 1.024 131 L CA -0.572 54.325 54.840 0.096 0.000 0.810 131 L CB 1.819 43.948 42.059 0.117 0.000 1.240 131 L HN 0.769 nan 8.230 nan 0.000 0.427 132 S N 0.805 116.614 115.700 0.181 0.000 2.638 132 S HA 0.699 5.169 4.470 -0.000 0.000 0.274 132 S C -1.222 173.430 174.600 0.087 0.000 1.157 132 S CA -0.818 57.448 58.200 0.111 0.000 0.826 132 S CB 2.195 65.421 63.200 0.043 0.000 1.139 132 S HN 0.824 nan 8.310 nan 0.000 0.474 133 H N -0.214 118.778 119.070 -0.131 0.000 3.151 133 H HA 0.381 4.937 4.556 -0.000 0.000 0.333 133 H C -3.234 172.000 175.328 -0.157 0.000 1.093 133 H CA -1.366 54.534 56.048 -0.248 0.000 1.342 133 H CB 1.660 31.042 29.762 -0.632 0.000 1.983 133 H HN 0.504 nan 8.280 nan 0.000 0.503 134 P HA -0.033 nan 4.420 nan 0.000 0.257 134 P C -0.936 176.399 177.300 0.058 0.000 1.189 134 P CA 0.777 63.958 63.100 0.135 0.000 0.780 134 P CB -0.118 31.645 31.700 0.105 0.000 0.772 135 N N 3.015 121.703 118.700 -0.020 0.000 2.568 135 N HA -0.216 4.524 4.740 -0.000 0.000 0.277 135 N C 0.201 175.608 175.510 -0.170 0.000 1.200 135 N CA 0.366 53.374 53.050 -0.070 0.000 0.702 135 N CB -0.642 37.813 38.487 -0.053 0.000 0.889 135 N HN 0.542 nan 8.380 nan 0.000 0.546 136 K N 0.384 120.688 120.400 -0.160 0.000 2.664 136 K HA 0.051 4.371 4.320 -0.000 0.000 0.151 136 K C -0.875 175.683 176.600 -0.069 0.000 1.259 136 K CA 0.534 56.697 56.287 -0.207 0.000 1.140 136 K CB 0.263 32.427 32.500 -0.560 0.000 1.054 136 K HN 0.423 nan 8.250 nan 0.000 0.463 137 S N -0.555 115.127 115.700 -0.030 0.000 3.098 137 S HA -0.112 4.358 4.470 -0.000 0.000 0.854 137 S C -0.088 174.537 174.600 0.043 0.000 1.004 137 S CA 0.599 58.805 58.200 0.009 0.000 1.292 137 S CB -0.655 62.560 63.200 0.025 0.000 0.932 137 S HN 0.510 nan 8.310 nan 0.000 0.283 138 G N 4.824 113.634 108.800 0.017 0.000 2.400 138 G HA2 0.694 4.654 3.960 -0.000 0.000 0.301 138 G HA3 0.694 4.654 3.960 -0.000 0.000 0.301 138 G C -0.538 174.331 174.900 -0.051 0.000 1.154 138 G CA -0.795 44.313 45.100 0.014 0.000 0.852 138 G HN 0.763 nan 8.290 nan 0.000 0.511 139 R N 0.387 120.816 120.500 -0.118 0.000 2.771 139 R HA 0.630 4.970 4.340 -0.000 0.000 0.274 139 R C -1.234 174.760 176.300 -0.511 0.000 0.987 139 R CA -0.716 55.172 56.100 -0.354 0.000 0.908 139 R CB 2.040 32.059 30.300 -0.468 0.000 1.213 139 R HN 0.495 nan 8.270 nan 0.000 0.468 140 T N 2.380 116.548 114.554 -0.643 0.000 2.881 140 T HA 0.567 4.917 4.350 -0.000 0.000 0.291 140 T C -0.797 173.591 174.700 -0.521 0.000 0.990 140 T CA -0.412 61.398 62.100 -0.483 0.000 0.976 140 T CB 0.558 69.273 68.868 -0.256 0.000 0.970 140 T HN 0.277 nan 8.240 nan 0.000 0.438 141 F N 1.724 121.655 119.950 -0.031 0.000 2.508 141 F HA 0.496 5.023 4.527 -0.000 0.000 0.325 141 F C 0.670 176.472 175.800 0.004 0.000 1.090 141 F CA -1.332 56.659 58.000 -0.014 0.000 0.945 141 F CB 1.758 40.753 39.000 -0.009 0.000 1.156 141 F HN 0.383 nan 8.300 nan 0.000 0.463 142 Q N 3.556 123.493 119.800 0.228 0.000 2.332 142 Q HA 0.359 4.698 4.340 -0.000 0.000 0.263 142 Q C -0.954 175.146 176.000 0.165 0.000 0.979 142 Q CA -0.279 55.623 55.803 0.165 0.000 0.885 142 Q CB 0.907 29.731 28.738 0.144 0.000 1.218 142 Q HN 0.656 nan 8.270 nan 0.000 0.405 143 M N 1.996 121.695 119.600 0.165 0.000 2.409 143 M HA 0.350 4.830 4.480 -0.000 0.000 0.329 143 M C -0.376 176.061 176.300 0.227 0.000 1.180 143 M CA -0.588 54.819 55.300 0.178 0.000 1.053 143 M CB 1.941 34.642 32.600 0.168 0.000 1.586 143 M HN 0.560 nan 8.290 nan 0.000 0.461 144 T N 1.251 115.904 114.554 0.164 0.000 2.867 144 T HA 0.366 4.716 4.350 -0.000 0.000 0.282 144 T C -0.259 174.426 174.700 -0.025 0.000 1.000 144 T CA -0.743 61.417 62.100 0.099 0.000 1.042 144 T CB 1.174 70.062 68.868 0.034 0.000 0.973 144 T HN 0.520 nan 8.240 nan 0.000 0.465 145 R N 3.077 123.459 120.500 -0.196 0.000 2.340 145 R HA 0.495 4.835 4.340 -0.000 0.000 0.300 145 R C -0.526 175.577 176.300 -0.328 0.000 1.069 145 R CA -0.208 55.518 56.100 -0.624 0.000 0.984 145 R CB 0.219 30.083 30.300 -0.727 0.000 1.003 145 R HN 0.590 nan 8.270 nan 0.000 0.459 146 L N 1.502 122.528 121.223 -0.329 0.000 2.535 146 L HA 0.437 4.777 4.340 -0.000 0.000 0.259 146 L C 0.197 176.974 176.870 -0.154 0.000 1.263 146 L CA -1.221 53.508 54.840 -0.185 0.000 1.282 146 L CB 0.495 42.463 42.059 -0.151 0.000 1.901 146 L HN 0.527 nan 8.230 nan 0.000 0.572 147 E N 0.829 120.975 120.200 -0.090 0.000 2.392 147 E HA 0.058 4.408 4.350 -0.000 0.000 0.259 147 E C -0.357 176.232 176.600 -0.018 0.000 1.108 147 E CA -0.144 56.238 56.400 -0.030 0.000 0.916 147 E CB 0.336 30.041 29.700 0.010 0.000 0.989 147 E HN 0.351 nan 8.360 nan 0.000 0.432 148 K N 0.176 120.630 120.400 0.090 0.000 3.160 148 K HA -0.209 4.111 4.320 -0.000 0.000 0.280 148 K C 0.712 177.457 176.600 0.242 0.000 1.154 148 K CA 0.953 57.381 56.287 0.235 0.000 0.822 148 K CB -2.341 30.299 32.500 0.232 0.000 1.239 148 K HN 1.033 nan 8.250 nan 0.000 0.489 149 G N -0.783 108.039 108.800 0.037 0.000 2.198 149 G HA2 -0.313 3.647 3.960 -0.000 0.000 0.260 149 G HA3 -0.313 3.647 3.960 -0.000 0.000 0.260 149 G C 0.105 174.806 174.900 -0.332 0.000 1.025 149 G CA 0.241 45.159 45.100 -0.304 0.000 0.769 149 G HN 0.264 nan 8.290 nan 0.000 0.507 150 V N 0.246 119.992 119.914 -0.281 0.000 2.427 150 V HA 0.603 4.723 4.120 -0.000 0.000 0.286 150 V C 0.043 175.947 176.094 -0.316 0.000 1.034 150 V CA -0.857 61.293 62.300 -0.249 0.000 0.893 150 V CB 1.202 32.752 31.823 -0.455 0.000 0.982 150 V HN 0.253 nan 8.190 nan 0.000 0.452 151 Y N 2.671 122.884 120.300 -0.145 0.000 2.387 151 Y HA 0.768 5.318 4.550 -0.000 0.000 0.336 151 Y C 0.409 176.256 175.900 -0.088 0.000 1.067 151 Y CA -0.231 57.802 58.100 -0.112 0.000 1.114 151 Y CB 2.012 40.397 38.460 -0.125 0.000 1.208 151 Y HN 0.765 nan 8.280 nan 0.000 0.458 152 A N 1.810 124.687 122.820 0.095 0.000 2.609 152 A HA 0.867 5.187 4.320 -0.000 0.000 0.291 152 A C -1.901 175.758 177.584 0.124 0.000 1.096 152 A CA -0.751 51.345 52.037 0.099 0.000 0.684 152 A CB 1.923 20.953 19.000 0.050 0.000 1.282 152 A HN 0.637 nan 8.150 nan 0.000 0.412 153 V N 0.074 120.091 119.914 0.172 0.000 3.023 153 V HA 0.657 4.777 4.120 -0.000 0.000 0.294 153 V C -1.157 175.065 176.094 0.213 0.000 1.324 153 V CA -0.135 62.261 62.300 0.160 0.000 0.979 153 V CB 2.464 34.386 31.823 0.165 0.000 1.093 153 V HN 1.140 nan 8.190 nan 0.000 0.434 154 T N 5.376 120.002 114.554 0.121 0.000 2.758 154 T HA 0.629 4.979 4.350 -0.000 0.000 0.285 154 T C -0.637 174.110 174.700 0.078 0.000 0.981 154 T CA -0.328 61.845 62.100 0.122 0.000 0.965 154 T CB 1.387 70.287 68.868 0.054 0.000 0.927 154 T HN 0.555 nan 8.240 nan 0.000 0.448 155 V N 3.993 124.000 119.914 0.155 0.000 2.384 155 V HA 0.350 4.470 4.120 -0.000 0.000 0.287 155 V C 0.637 176.771 176.094 0.067 0.000 1.020 155 V CA -0.795 61.558 62.300 0.089 0.000 0.850 155 V CB 1.592 33.559 31.823 0.241 0.000 0.987 155 V HN 0.930 nan 8.190 nan 0.000 0.436 156 T N 4.130 118.684 114.554 0.000 0.000 2.907 156 T HA 0.620 4.970 4.350 -0.000 0.000 0.298 156 T C 0.495 175.204 174.700 0.015 0.000 1.017 156 T CA 0.845 62.952 62.100 0.011 0.000 1.118 156 T CB 1.022 69.871 68.868 -0.032 0.000 0.948 156 T HN 1.462 nan 8.240 nan 0.000 0.531 157 G N 2.142 110.954 108.800 0.020 0.000 2.408 157 G HA2 0.058 4.018 3.960 -0.000 0.000 0.682 157 G HA3 0.058 4.018 3.960 -0.000 0.000 0.682 157 G C -1.530 173.376 174.900 0.010 0.000 1.303 157 G CA -0.946 44.164 45.100 0.018 0.000 0.966 157 G HN 0.695 nan 8.290 nan 0.000 0.560 158 D N 0.390 120.826 120.400 0.060 0.000 2.359 158 D HA 0.428 5.067 4.640 -0.000 0.000 0.230 158 D C 1.416 177.837 176.300 0.202 0.000 1.118 158 D CA -0.453 53.629 54.000 0.137 0.000 0.844 158 D CB 0.888 41.799 40.800 0.184 0.000 1.059 158 D HN 0.339 nan 8.370 nan 0.000 0.493 159 L N 3.623 124.987 121.223 0.235 0.000 2.629 159 L HA 0.052 4.392 4.340 -0.000 0.000 0.230 159 L C 1.214 178.328 176.870 0.406 0.000 1.151 159 L CA -0.298 54.637 54.840 0.160 0.000 0.924 159 L CB -0.356 41.719 42.059 0.026 0.000 1.137 159 L HN 0.442 nan 8.230 nan 0.000 0.457 160 H N 1.305 120.571 119.070 0.328 0.000 3.070 160 H HA 0.030 4.586 4.556 -0.000 0.000 0.313 160 H C 1.091 176.539 175.328 0.199 0.000 0.997 160 H CA 1.534 57.663 56.048 0.135 0.000 1.438 160 H CB 0.867 30.650 29.762 0.036 0.000 1.455 160 H HN 0.409 nan 8.280 nan 0.000 0.575 161 G N 4.353 112.963 108.800 -0.316 0.000 2.194 161 G HA2 -0.273 3.687 3.960 -0.000 0.000 0.236 161 G HA3 -0.273 3.687 3.960 -0.000 0.000 0.236 161 G C -0.306 174.445 174.900 -0.248 0.000 0.987 161 G CA 0.078 45.022 45.100 -0.260 0.000 0.635 161 G HN 0.618 nan 8.290 nan 0.000 0.520 162 Y N 2.223 122.464 120.300 -0.099 0.000 2.346 162 Y HA 0.492 5.042 4.550 -0.000 0.000 0.330 162 Y C 1.096 177.023 175.900 0.045 0.000 1.178 162 Y CA -0.158 57.942 58.100 -0.001 0.000 1.331 162 Y CB 0.630 39.181 38.460 0.152 0.000 1.253 162 Y HN 0.305 nan 8.280 nan 0.000 0.529 163 E N 3.308 123.604 120.200 0.160 0.000 2.277 163 E HA 0.372 4.722 4.350 -0.000 0.000 0.274 163 E C -1.477 175.288 176.600 0.275 0.000 1.022 163 E CA -0.725 55.761 56.400 0.142 0.000 0.853 163 E CB 1.227 30.936 29.700 0.014 0.000 1.086 163 E HN 0.579 nan 8.360 nan 0.000 0.397 164 Y N -0.299 119.996 120.300 -0.009 0.000 2.544 164 Y HA 0.685 5.235 4.550 -0.000 0.000 0.342 164 Y C -1.957 173.848 175.900 -0.160 0.000 1.062 164 Y CA -1.483 56.580 58.100 -0.062 0.000 1.023 164 Y CB 0.988 39.437 38.460 -0.019 0.000 1.308 164 Y HN 0.313 nan 8.280 nan 0.000 0.457 165 L N 3.434 124.585 121.223 -0.119 0.000 2.393 165 L HA 0.575 4.915 4.340 -0.000 0.000 0.260 165 L C -1.233 175.623 176.870 -0.023 0.000 1.002 165 L CA -1.215 53.510 54.840 -0.191 0.000 0.818 165 L CB 2.273 44.289 42.059 -0.071 0.000 1.369 165 L HN 0.819 nan 8.230 nan 0.000 0.412 166 F N 0.324 120.316 119.950 0.071 0.000 2.450 166 F HA 0.495 5.022 4.527 -0.000 0.000 0.332 166 F C -0.195 175.668 175.800 0.105 0.000 1.093 166 F CA -0.782 57.280 58.000 0.104 0.000 1.003 166 F CB 1.744 40.829 39.000 0.142 0.000 1.151 166 F HN 0.236 nan 8.300 nan 0.000 0.474 167 C N 4.944 124.454 119.300 0.350 0.000 2.293 167 C HA 0.540 5.000 4.460 -0.000 0.000 0.323 167 C C -0.384 174.842 174.990 0.393 0.000 1.240 167 C CA -0.829 58.407 59.018 0.363 0.000 1.497 167 C CB -0.238 27.673 27.740 0.286 0.000 2.171 167 C HN 0.356 nan 8.230 nan 0.000 0.465 168 I N 2.637 123.348 120.570 0.235 0.000 2.378 168 I HA 0.237 4.407 4.170 -0.000 0.000 0.291 168 I C 0.255 176.201 176.117 -0.285 0.000 0.992 168 I CA -0.466 60.796 61.300 -0.062 0.000 1.154 168 I CB 1.227 39.207 38.000 -0.034 0.000 1.315 168 I HN 0.635 nan 8.210 nan 0.000 0.448 169 C N 7.931 126.782 119.300 -0.747 0.000 2.200 169 C HA 0.428 4.888 4.460 -0.000 0.000 0.328 169 C C -0.007 174.685 174.990 -0.497 0.000 1.148 169 C CA -0.325 58.121 59.018 -0.952 0.000 1.624 169 C CB -1.427 25.294 27.740 -1.700 0.000 2.167 169 C HN 0.672 nan 8.230 nan 0.000 0.484 170 N N 3.710 122.228 118.700 -0.303 0.000 2.342 170 N HA 0.302 5.042 4.740 -0.000 0.000 0.293 170 N C -0.155 175.278 175.510 -0.129 0.000 1.026 170 N CA -0.160 52.788 53.050 -0.169 0.000 0.857 170 N CB 1.131 39.566 38.487 -0.088 0.000 1.256 170 N HN 0.808 nan 8.380 nan 0.000 0.484 171 N N 0.540 119.180 118.700 -0.100 0.000 2.721 171 N HA -0.233 4.507 4.740 -0.000 0.000 0.249 171 N C -0.621 174.832 175.510 -0.096 0.000 1.072 171 N CA 0.678 53.679 53.050 -0.081 0.000 0.710 171 N CB -0.641 37.821 38.487 -0.043 0.000 0.993 171 N HN 0.589 nan 8.380 nan 0.000 0.547 172 S N -1.507 114.110 115.700 -0.139 0.000 3.380 172 S HA -0.279 4.191 4.470 -0.000 0.000 0.300 172 S C 0.039 174.586 174.600 -0.088 0.000 1.255 172 S CA 1.672 59.796 58.200 -0.126 0.000 0.963 172 S CB -0.767 62.392 63.200 -0.070 0.000 1.106 172 S HN 0.792 nan 8.310 nan 0.000 0.629 173 E N -0.415 119.719 120.200 -0.110 0.000 2.191 173 E HA 0.456 4.806 4.350 -0.000 0.000 0.263 173 E C -0.713 175.866 176.600 -0.034 0.000 0.881 173 E CA -0.761 55.631 56.400 -0.012 0.000 0.757 173 E CB 0.869 30.578 29.700 0.015 0.000 1.147 173 E HN 0.347 nan 8.360 nan 0.000 0.414 174 W N 5.242 126.542 121.300 -0.000 0.000 2.287 174 W HA 0.341 5.001 4.660 -0.000 0.000 0.313 174 W C 0.121 176.647 176.519 0.012 0.000 1.267 174 W CA -0.384 56.960 57.345 -0.001 0.000 1.201 174 W CB 1.002 30.458 29.460 -0.005 0.000 1.196 174 W HN 0.319 nan 8.180 nan 0.000 0.536 175 M N 2.161 121.920 119.600 0.265 0.000 2.602 175 M HA 0.311 4.791 4.480 -0.000 0.000 0.312 175 M C -0.658 175.764 176.300 0.202 0.000 1.181 175 M CA -0.976 54.436 55.300 0.187 0.000 0.910 175 M CB 2.446 35.123 32.600 0.129 0.000 1.723 175 M HN 0.394 nan 8.290 nan 0.000 0.459 176 E N 0.830 121.119 120.200 0.149 0.000 2.179 176 E HA 0.601 4.951 4.350 -0.000 0.000 0.275 176 E C -1.409 175.259 176.600 0.112 0.000 0.945 176 E CA -0.184 56.292 56.400 0.127 0.000 0.792 176 E CB 2.000 31.747 29.700 0.079 0.000 1.125 176 E HN 0.670 nan 8.360 nan 0.000 0.397 177 T N 1.725 116.347 114.554 0.114 0.000 2.830 177 T HA 0.290 4.640 4.350 -0.000 0.000 0.322 177 T C -1.223 173.486 174.700 0.015 0.000 1.501 177 T CA -0.515 61.640 62.100 0.092 0.000 1.036 177 T CB 1.193 70.151 68.868 0.149 0.000 1.379 177 T HN 0.375 nan 8.240 nan 0.000 0.493 178 V N 1.627 121.525 119.914 -0.026 0.000 2.953 178 V HA 0.618 4.737 4.120 -0.000 0.000 0.304 178 V C 0.311 176.321 176.094 -0.139 0.000 1.073 178 V CA -0.494 61.689 62.300 -0.196 0.000 1.064 178 V CB 1.301 33.003 31.823 -0.203 0.000 1.047 178 V HN 0.946 nan 8.190 nan 0.000 0.478 179 D N 2.632 122.826 120.400 -0.343 0.000 2.458 179 D HA 0.056 4.696 4.640 -0.000 0.000 0.243 179 D C 1.057 177.432 176.300 0.125 0.000 1.146 179 D CA 0.594 54.572 54.000 -0.036 0.000 0.877 179 D CB 1.309 42.074 40.800 -0.058 0.000 1.176 179 D HN 0.747 nan 8.370 nan 0.000 0.461 180 Q N 2.450 122.407 119.800 0.262 0.000 2.170 180 Q HA -0.189 4.151 4.340 -0.000 0.000 0.203 180 Q C 0.671 176.765 176.000 0.156 0.000 0.976 180 Q CA 1.147 57.061 55.803 0.185 0.000 0.858 180 Q CB -0.054 28.792 28.738 0.179 0.000 0.907 180 Q HN 0.653 nan 8.270 nan 0.000 0.433 181 Y N -0.032 120.321 120.300 0.087 0.000 2.532 181 Y HA 0.324 4.874 4.550 -0.000 0.000 0.283 181 Y C 0.377 176.130 175.900 -0.244 0.000 1.181 181 Y CA -0.688 57.188 58.100 -0.373 0.000 1.256 181 Y CB 0.212 38.441 38.460 -0.385 0.000 1.112 181 Y HN -0.027 nan 8.280 nan 0.000 0.521 182 A N 0.731 123.586 122.820 0.058 0.000 2.524 182 A HA 0.073 4.393 4.320 -0.000 0.000 0.250 182 A C 1.021 178.640 177.584 0.059 0.000 1.078 182 A CA -0.016 52.039 52.037 0.031 0.000 0.761 182 A CB 0.243 19.155 19.000 -0.147 0.000 1.012 182 A HN 0.560 nan 8.150 nan 0.000 0.500 183 K N 1.116 121.549 120.400 0.055 0.000 2.374 183 K HA 0.392 4.712 4.320 -0.000 0.000 0.196 183 K C 0.175 176.833 176.600 0.098 0.000 1.023 183 K CA 0.808 57.146 56.287 0.084 0.000 1.103 183 K CB 0.464 32.988 32.500 0.039 0.000 0.848 183 K HN 0.780 nan 8.250 nan 0.000 0.528 184 A N 0.832 123.678 122.820 0.043 0.000 2.574 184 A HA 0.610 4.930 4.320 -0.000 0.000 0.297 184 A C -1.051 176.491 177.584 -0.070 0.000 1.062 184 A CA -0.771 51.272 52.037 0.010 0.000 0.686 184 A CB 1.429 20.432 19.000 0.005 0.000 1.285 184 A HN -0.035 nan 8.150 nan 0.000 0.403 185 V N -1.325 118.534 119.914 -0.092 0.000 3.159 185 V HA 0.933 5.053 4.120 -0.000 0.000 0.308 185 V C 0.096 176.125 176.094 -0.108 0.000 1.190 185 V CA -0.138 62.065 62.300 -0.163 0.000 1.037 185 V CB 1.167 32.827 31.823 -0.271 0.000 1.060 185 V HN 1.604 nan 8.190 nan 0.000 0.437 186 T N -0.744 113.743 114.554 -0.111 0.000 2.788 186 T HA 0.539 4.889 4.350 -0.000 0.000 0.280 186 T C 0.473 175.128 174.700 -0.075 0.000 0.984 186 T CA 0.074 62.129 62.100 -0.075 0.000 0.972 186 T CB 1.458 70.290 68.868 -0.061 0.000 1.039 186 T HN 1.692 nan 8.240 nan 0.000 0.530 187 V N 2.568 122.439 119.914 -0.071 0.000 2.644 187 V HA 0.057 4.177 4.120 -0.000 0.000 0.305 187 V C 0.618 176.660 176.094 -0.087 0.000 1.053 187 V CA 0.698 62.927 62.300 -0.119 0.000 1.186 187 V CB -1.030 30.701 31.823 -0.154 0.000 0.895 187 V HN 1.032 nan 8.190 nan 0.000 0.490 188 N N 3.898 122.531 118.700 -0.112 0.000 2.828 188 N HA -0.190 4.550 4.740 -0.000 0.000 0.248 188 N C 0.915 176.405 175.510 -0.033 0.000 1.044 188 N CA 1.741 54.737 53.050 -0.090 0.000 0.851 188 N CB -1.507 36.941 38.487 -0.064 0.000 1.136 188 N HN 1.896 nan 8.380 nan 0.000 0.572 189 G N 0.255 109.045 108.800 -0.017 0.000 2.323 189 G HA2 -0.343 3.617 3.960 -0.000 0.000 0.292 189 G HA3 -0.343 3.617 3.960 -0.000 0.000 0.292 189 G C 0.816 175.769 174.900 0.089 0.000 1.040 189 G CA 0.904 46.045 45.100 0.068 0.000 0.942 189 G HN 0.691 nan 8.290 nan 0.000 0.506 190 E N -0.639 119.562 120.200 0.002 0.000 2.158 190 E HA 0.039 4.389 4.350 -0.000 0.000 0.191 190 E C 1.164 177.736 176.600 -0.048 0.000 0.982 190 E CA 0.902 57.300 56.400 -0.002 0.000 0.823 190 E CB 0.194 29.888 29.700 -0.011 0.000 0.766 190 E HN 0.653 nan 8.360 nan 0.000 0.468 191 K N -0.347 119.988 120.400 -0.109 0.000 2.536 191 K HA 0.451 4.771 4.320 -0.000 0.000 0.269 191 K C -0.383 176.049 176.600 -0.280 0.000 0.965 191 K CA -0.690 55.487 56.287 -0.183 0.000 0.860 191 K CB 2.087 34.509 32.500 -0.131 0.000 1.423 191 K HN -0.001 nan 8.250 nan 0.000 0.438 192 G N 0.223 108.757 108.800 -0.443 0.000 2.528 192 G HA2 0.577 4.537 3.960 -0.000 0.000 0.289 192 G HA3 0.577 4.537 3.960 -0.000 0.000 0.289 192 G C -0.942 173.824 174.900 -0.224 0.000 1.192 192 G CA -0.448 44.357 45.100 -0.492 0.000 0.921 192 G HN 0.226 nan 8.290 nan 0.000 0.512 193 V N -0.402 119.519 119.914 0.012 0.000 2.841 193 V HA 0.390 4.510 4.120 -0.000 0.000 0.310 193 V C -0.272 175.962 176.094 0.233 0.000 1.090 193 V CA -0.764 61.628 62.300 0.152 0.000 0.930 193 V CB 1.945 33.760 31.823 -0.014 0.000 1.014 193 V HN 0.577 nan 8.190 nan 0.000 0.425 194 V N 5.277 125.296 119.914 0.175 0.000 2.465 194 V HA 0.554 4.674 4.120 -0.000 0.000 0.279 194 V C -0.251 175.742 176.094 -0.168 0.000 1.045 194 V CA -0.238 62.071 62.300 0.015 0.000 0.938 194 V CB 1.188 33.023 31.823 0.020 0.000 0.986 194 V HN 0.625 nan 8.190 nan 0.000 0.467 195 L N 5.203 126.278 121.223 -0.247 0.000 2.445 195 L HA 0.614 4.954 4.340 -0.000 0.000 0.262 195 L C 0.145 176.757 176.870 -0.430 0.000 0.974 195 L CA -0.915 53.700 54.840 -0.374 0.000 0.822 195 L CB 2.370 44.287 42.059 -0.236 0.000 1.339 195 L HN 0.741 nan 8.230 nan 0.000 0.409 196 R N 1.154 121.418 120.500 -0.393 0.000 2.679 196 R HA 0.435 4.775 4.340 -0.000 0.000 0.269 196 R C -2.530 173.661 176.300 -0.182 0.000 1.076 196 R CA -1.479 54.257 56.100 -0.606 0.000 1.160 196 R CB -0.408 29.669 30.300 -0.372 0.000 1.054 196 R HN 0.191 nan 8.270 nan 0.000 0.507 197 P HA -0.043 nan 4.420 nan 0.000 0.262 197 P C -0.612 176.661 177.300 -0.046 0.000 1.182 197 P CA 0.289 63.368 63.100 -0.035 0.000 0.761 197 P CB 0.445 32.149 31.700 0.007 0.000 0.795 198 D N 2.044 122.409 120.400 -0.058 0.000 2.363 198 D HA -0.129 4.511 4.640 -0.000 0.000 0.226 198 D C 0.347 176.591 176.300 -0.093 0.000 1.020 198 D CA 0.241 54.199 54.000 -0.070 0.000 0.892 198 D CB -0.387 40.362 40.800 -0.084 0.000 0.900 198 D HN 0.173 nan 8.370 nan 0.000 0.531 199 Q N -1.431 118.317 119.800 -0.086 0.000 2.480 199 Q HA -0.260 4.080 4.340 -0.000 0.000 0.265 199 Q C -0.086 175.820 176.000 -0.157 0.000 1.072 199 Q CA 0.833 56.579 55.803 -0.094 0.000 1.018 199 Q CB -2.359 26.336 28.738 -0.071 0.000 1.433 199 Q HN 0.557 nan 8.270 nan 0.000 0.513 200 M N 1.410 120.873 119.600 -0.228 0.000 2.260 200 M HA 0.075 4.555 4.480 -0.000 0.000 0.348 200 M C -0.303 175.707 176.300 -0.483 0.000 1.342 200 M CA 0.958 56.020 55.300 -0.396 0.000 1.040 200 M CB 0.548 32.822 32.600 -0.542 0.000 1.810 200 M HN -0.121 nan 8.290 nan 0.000 0.453 201 K N 5.267 125.373 120.400 -0.490 0.000 2.244 201 K HA 0.313 4.632 4.320 -0.000 0.000 0.260 201 K C -1.716 174.593 176.600 -0.484 0.000 0.951 201 K CA -0.041 56.019 56.287 -0.378 0.000 0.826 201 K CB 0.931 33.327 32.500 -0.175 0.000 1.108 201 K HN 0.807 nan 8.250 nan 0.000 0.433 202 W N 1.610 122.899 121.300 -0.018 0.000 2.332 202 W HA 0.161 4.821 4.660 -0.000 0.000 0.306 202 W C 1.084 177.609 176.519 0.010 0.000 1.149 202 W CA -0.563 56.785 57.345 0.005 0.000 1.271 202 W CB 0.998 30.471 29.460 0.021 0.000 1.243 202 W HN 0.592 nan 8.180 nan 0.000 0.459 203 T N -0.313 114.347 114.554 0.176 0.000 3.174 203 T HA 0.472 4.822 4.350 -0.000 0.000 0.269 203 T C 0.412 175.175 174.700 0.105 0.000 1.017 203 T CA -0.225 61.936 62.100 0.103 0.000 0.899 203 T CB 0.195 69.084 68.868 0.036 0.000 1.077 203 T HN 0.373 nan 8.240 nan 0.000 0.552 204 A N 2.046 124.963 122.820 0.162 0.000 3.258 204 A HA 0.662 4.982 4.320 -0.000 0.000 0.318 204 A C -2.902 174.715 177.584 0.055 0.000 0.990 204 A CA -1.351 50.753 52.037 0.112 0.000 0.885 204 A CB 0.138 19.238 19.000 0.166 0.000 1.090 204 A HN 0.281 nan 8.150 nan 0.000 0.479 205 P HA 0.214 nan 4.420 nan 0.000 0.261 205 P C -0.708 176.549 177.300 -0.072 0.000 1.183 205 P CA 0.710 63.795 63.100 -0.025 0.000 0.761 205 P CB 0.419 32.117 31.700 -0.004 0.000 0.785 206 L N 3.620 124.765 121.223 -0.130 0.000 2.362 206 L HA 0.406 4.746 4.340 -0.000 0.000 0.275 206 L C 0.669 177.486 176.870 -0.089 0.000 0.998 206 L CA -0.977 53.784 54.840 -0.131 0.000 0.820 206 L CB 1.861 43.782 42.059 -0.231 0.000 1.270 206 L HN 0.228 nan 8.230 nan 0.000 0.415 207 K N 2.925 123.291 120.400 -0.056 0.000 2.219 207 K HA 0.272 4.592 4.320 -0.000 0.000 0.258 207 K C -2.160 174.432 176.600 -0.014 0.000 1.008 207 K CA -1.445 54.819 56.287 -0.037 0.000 0.928 207 K CB 0.202 32.679 32.500 -0.039 0.000 0.983 207 K HN 0.362 nan 8.250 nan 0.000 0.484 208 P HA -0.112 nan 4.420 nan 0.000 0.264 208 P C -0.607 176.736 177.300 0.072 0.000 1.183 208 P CA 0.260 63.383 63.100 0.039 0.000 0.763 208 P CB 0.236 31.950 31.700 0.023 0.000 0.807 209 F N 2.950 122.899 119.950 -0.002 0.000 2.578 209 F HA -0.061 4.466 4.527 -0.000 0.000 0.381 209 F C 2.044 177.866 175.800 0.036 0.000 1.069 209 F CA 0.615 58.632 58.000 0.028 0.000 1.231 209 F CB 0.680 39.730 39.000 0.084 0.000 1.086 209 F HN 0.426 nan 8.300 nan 0.000 0.564 210 S N 3.666 119.056 115.700 -0.516 0.000 2.369 210 S HA -0.237 4.233 4.470 -0.000 0.000 0.225 210 S C 0.296 174.881 174.600 -0.026 0.000 1.043 210 S CA 1.667 59.702 58.200 -0.275 0.000 1.074 210 S CB -0.529 62.459 63.200 -0.353 0.000 0.962 210 S HN 0.862 nan 8.310 nan 0.000 0.433 211 H N -0.434 118.555 119.070 -0.136 0.000 3.094 211 H HA 0.366 4.922 4.556 -0.000 0.000 0.335 211 H C -2.746 172.722 175.328 0.234 0.000 1.254 211 H CA -1.105 54.981 56.048 0.064 0.000 1.240 211 H CB 1.357 31.118 29.762 -0.003 0.000 1.936 211 H HN -0.173 nan 8.280 nan 0.000 0.536 212 P HA -0.199 nan 4.420 nan 0.000 0.215 212 P C 1.343 178.712 177.300 0.116 0.000 1.157 212 P CA 2.298 65.382 63.100 -0.026 0.000 0.874 212 P CB 0.073 31.646 31.700 -0.211 0.000 0.790 213 V N -3.448 116.621 119.914 0.258 0.000 3.241 213 V HA -0.092 4.028 4.120 -0.000 0.000 0.269 213 V C 1.005 177.222 176.094 0.204 0.000 1.151 213 V CA 1.827 64.259 62.300 0.220 0.000 1.158 213 V CB -1.348 30.617 31.823 0.237 0.000 0.764 213 V HN -0.027 nan 8.190 nan 0.000 0.508 214 D N 1.071 121.634 120.400 0.271 0.000 2.339 214 D HA 0.432 5.072 4.640 -0.000 0.000 0.217 214 D C 0.924 177.462 176.300 0.397 0.000 1.050 214 D CA 0.870 55.013 54.000 0.239 0.000 0.856 214 D CB 0.688 41.541 40.800 0.090 0.000 0.922 214 D HN 0.703 nan 8.370 nan 0.000 0.518 215 A N -0.018 122.998 122.820 0.327 0.000 2.281 215 A HA 0.654 4.974 4.320 -0.000 0.000 0.329 215 A C -0.442 177.175 177.584 0.055 0.000 1.122 215 A CA -0.460 51.676 52.037 0.166 0.000 0.850 215 A CB 1.479 20.306 19.000 -0.289 0.000 1.207 215 A HN -0.055 nan 8.150 nan 0.000 0.495 216 V N 2.247 122.185 119.914 0.040 0.000 2.509 216 V HA 0.270 4.390 4.120 -0.000 0.000 0.289 216 V C -0.610 175.479 176.094 -0.009 0.000 1.026 216 V CA -0.004 62.302 62.300 0.010 0.000 0.872 216 V CB 0.851 32.681 31.823 0.012 0.000 1.017 216 V HN 0.718 nan 8.190 nan 0.000 0.436 217 I N 4.258 124.786 120.570 -0.069 0.000 2.472 217 I HA 0.409 4.579 4.170 -0.000 0.000 0.290 217 I C -0.775 175.224 176.117 -0.196 0.000 1.016 217 I CA -0.523 60.706 61.300 -0.119 0.000 1.348 217 I CB 1.068 38.977 38.000 -0.151 0.000 1.417 217 I HN 0.615 nan 8.210 nan 0.000 0.521 218 Y N 5.490 125.616 120.300 -0.291 0.000 2.363 218 Y HA 0.280 4.830 4.550 -0.000 0.000 0.325 218 Y C -0.157 175.589 175.900 -0.257 0.000 0.984 218 Y CA -0.667 57.262 58.100 -0.284 0.000 1.248 218 Y CB 1.054 39.418 38.460 -0.160 0.000 1.116 218 Y HN 0.546 nan 8.280 nan 0.000 0.470 219 E N 4.191 124.041 120.200 -0.583 0.000 2.229 219 E HA 0.325 4.675 4.350 -0.000 0.000 0.283 219 E C -1.017 175.415 176.600 -0.281 0.000 1.030 219 E CA 0.031 56.252 56.400 -0.299 0.000 0.836 219 E CB 1.168 30.834 29.700 -0.056 0.000 1.068 219 E HN 0.656 nan 8.360 nan 0.000 0.401 220 T N 2.939 117.408 114.554 -0.142 0.000 2.853 220 T HA 0.212 4.562 4.350 -0.000 0.000 0.311 220 T C -1.852 172.853 174.700 0.009 0.000 1.307 220 T CA -0.659 61.403 62.100 -0.063 0.000 1.019 220 T CB 1.025 69.860 68.868 -0.055 0.000 1.264 220 T HN 0.603 nan 8.240 nan 0.000 0.497 221 H N 3.148 122.223 119.070 0.007 0.000 2.459 221 H HA 0.537 5.093 4.556 -0.000 0.000 0.332 221 H C 1.222 176.555 175.328 0.008 0.000 1.094 221 H CA -0.737 55.312 56.048 0.002 0.000 1.224 221 H CB 0.883 30.730 29.762 0.141 0.000 1.449 221 H HN 0.540 nan 8.280 nan 0.000 0.484 222 L N 3.409 124.378 121.223 -0.424 0.000 2.129 222 L HA -0.184 4.156 4.340 -0.000 0.000 0.212 222 L C 2.554 179.375 176.870 -0.082 0.000 1.087 222 L CA 1.576 56.179 54.840 -0.396 0.000 0.757 222 L CB -0.203 41.263 42.059 -0.990 0.000 0.896 222 L HN 0.682 nan 8.230 nan 0.000 0.434 223 R N -0.115 120.481 120.500 0.160 0.000 2.080 223 R HA -0.114 4.226 4.340 -0.000 0.000 0.222 223 R C 1.868 178.442 176.300 0.457 0.000 1.107 223 R CA 1.242 57.583 56.100 0.401 0.000 0.980 223 R CB 0.004 30.652 30.300 0.580 0.000 0.879 223 R HN 0.220 nan 8.270 nan 0.000 0.439 224 D N 0.453 121.201 120.400 0.580 0.000 2.104 224 D HA -0.218 4.422 4.640 -0.000 0.000 0.194 224 D C 1.528 178.036 176.300 0.347 0.000 0.994 224 D CA 1.227 55.465 54.000 0.397 0.000 0.830 224 D CB -0.447 40.562 40.800 0.349 0.000 0.959 224 D HN 0.177 nan 8.370 nan 0.000 0.452 225 F N 1.191 121.289 119.950 0.246 0.000 2.147 225 F HA -0.239 4.288 4.527 -0.000 0.000 0.301 225 F C 1.922 177.985 175.800 0.439 0.000 1.084 225 F CA 1.903 60.075 58.000 0.288 0.000 1.268 225 F CB 0.107 39.242 39.000 0.225 0.000 1.009 225 F HN 0.029 nan 8.300 nan 0.000 0.486 226 S N -2.089 113.793 115.700 0.304 0.000 2.900 226 S HA 0.145 4.615 4.470 -0.000 0.000 0.253 226 S C 1.191 175.904 174.600 0.187 0.000 1.029 226 S CA -0.102 58.209 58.200 0.185 0.000 1.096 226 S CB -0.710 62.592 63.200 0.169 0.000 1.067 226 S HN 0.215 nan 8.310 nan 0.000 0.610 227 I N 2.648 123.359 120.570 0.234 0.000 2.676 227 I HA 0.070 4.240 4.170 -0.000 0.000 0.259 227 I C 1.009 177.232 176.117 0.177 0.000 1.194 227 I CA 0.579 61.994 61.300 0.191 0.000 1.473 227 I CB -0.341 37.786 38.000 0.212 0.000 1.096 227 I HN 0.488 nan 8.210 nan 0.000 0.443 228 H N 2.002 121.161 119.070 0.148 0.000 2.897 228 H HA -0.053 4.503 4.556 -0.000 0.000 0.347 228 H C 1.287 176.660 175.328 0.075 0.000 1.068 228 H CA 0.934 57.061 56.048 0.132 0.000 1.426 228 H CB 0.823 30.722 29.762 0.229 0.000 1.410 228 H HN 0.485 nan 8.280 nan 0.000 0.597 229 E N 2.809 122.818 120.200 -0.318 0.000 2.267 229 E HA -0.248 4.102 4.350 -0.000 0.000 0.197 229 E C 0.657 177.240 176.600 -0.028 0.000 0.998 229 E CA 1.277 57.576 56.400 -0.168 0.000 0.830 229 E CB -0.066 29.496 29.700 -0.230 0.000 0.751 229 E HN 0.620 nan 8.360 nan 0.000 0.491 230 N N 0.619 119.433 118.700 0.190 0.000 2.321 230 N HA 0.031 4.771 4.740 -0.000 0.000 0.242 230 N C 0.946 176.470 175.510 0.023 0.000 1.141 230 N CA 0.374 53.527 53.050 0.172 0.000 0.864 230 N CB 0.389 39.036 38.487 0.266 0.000 1.100 230 N HN 0.221 nan 8.380 nan 0.000 0.510 231 S N -0.820 114.833 115.700 -0.079 0.000 2.481 231 S HA 0.065 4.535 4.470 -0.000 0.000 0.231 231 S C 1.587 175.815 174.600 -0.621 0.000 0.996 231 S CA 0.886 58.721 58.200 -0.608 0.000 0.942 231 S CB -0.198 62.774 63.200 -0.380 0.000 0.768 231 S HN 0.411 nan 8.310 nan 0.000 0.520 232 G N 0.708 109.319 108.800 -0.315 0.000 2.162 232 G HA2 -0.266 3.694 3.960 -0.000 0.000 0.260 232 G HA3 -0.266 3.694 3.960 -0.000 0.000 0.260 232 G C -0.068 174.712 174.900 -0.200 0.000 0.976 232 G CA 0.615 45.564 45.100 -0.252 0.000 0.655 232 G HN 0.553 nan 8.290 nan 0.000 0.533 233 M N -0.455 119.035 119.600 -0.183 0.000 2.436 233 M HA 0.570 5.050 4.480 -0.000 0.000 0.331 233 M C 1.538 177.808 176.300 -0.051 0.000 1.135 233 M CA -0.833 54.405 55.300 -0.103 0.000 0.987 233 M CB 1.684 34.233 32.600 -0.086 0.000 1.687 233 M HN -0.027 nan 8.290 nan 0.000 0.445 234 I N 0.819 121.375 120.570 -0.025 0.000 2.235 234 I HA -0.134 4.036 4.170 -0.000 0.000 0.241 234 I C 0.911 177.035 176.117 0.013 0.000 1.085 234 I CA 0.802 62.097 61.300 -0.007 0.000 1.378 234 I CB -0.141 37.858 38.000 -0.002 0.000 1.076 234 I HN 0.662 nan 8.210 nan 0.000 0.415 235 N N 3.495 122.211 118.700 0.027 0.000 3.193 235 N HA 0.050 4.790 4.740 -0.000 0.000 0.312 235 N C -0.540 175.006 175.510 0.060 0.000 1.261 235 N CA 0.193 53.270 53.050 0.046 0.000 1.208 235 N CB -0.018 38.505 38.487 0.059 0.000 1.471 235 N HN 0.328 nan 8.380 nan 0.000 0.548 236 K N 0.047 120.479 120.400 0.053 0.000 2.437 236 K HA 0.001 4.321 4.320 -0.000 0.000 0.277 236 K C 1.117 177.777 176.600 0.100 0.000 1.073 236 K CA 0.308 56.639 56.287 0.074 0.000 1.105 236 K CB 0.195 32.731 32.500 0.060 0.000 0.881 236 K HN 0.507 nan 8.250 nan 0.000 0.475 237 G N 2.480 111.359 108.800 0.132 0.000 2.160 237 G HA2 -0.248 3.712 3.960 -0.000 0.000 0.251 237 G HA3 -0.248 3.712 3.960 -0.000 0.000 0.251 237 G C -0.226 174.733 174.900 0.098 0.000 1.008 237 G CA 0.125 45.313 45.100 0.148 0.000 0.724 237 G HN 0.455 nan 8.290 nan 0.000 0.514 238 K N -1.455 118.979 120.400 0.056 0.000 2.350 238 K HA 0.495 4.815 4.320 -0.000 0.000 0.241 238 K C 0.911 177.514 176.600 0.005 0.000 0.994 238 K CA -1.061 55.230 56.287 0.008 0.000 0.839 238 K CB 0.814 33.349 32.500 0.058 0.000 1.244 238 K HN 0.041 nan 8.250 nan 0.000 0.443 239 Y N 0.480 120.816 120.300 0.060 0.000 2.193 239 Y HA -0.223 4.327 4.550 -0.000 0.000 0.285 239 Y C 1.991 177.905 175.900 0.023 0.000 1.166 239 Y CA 1.082 59.195 58.100 0.022 0.000 1.181 239 Y CB -0.159 38.337 38.460 0.061 0.000 0.976 239 Y HN 0.307 nan 8.280 nan 0.000 0.520 240 L N -0.884 120.461 121.223 0.204 0.000 2.552 240 L HA -0.090 4.250 4.340 -0.000 0.000 0.227 240 L C 2.511 179.436 176.870 0.093 0.000 1.146 240 L CA 0.352 55.267 54.840 0.125 0.000 0.858 240 L CB -0.508 41.613 42.059 0.104 0.000 0.969 240 L HN 0.220 nan 8.230 nan 0.000 0.451 241 A N -0.006 122.876 122.820 0.103 0.000 1.933 241 A HA -0.178 4.142 4.320 -0.000 0.000 0.218 241 A C 2.014 179.670 177.584 0.120 0.000 1.175 241 A CA 1.203 53.305 52.037 0.108 0.000 0.628 241 A CB -0.395 18.695 19.000 0.149 0.000 0.814 241 A HN 0.283 nan 8.150 nan 0.000 0.444 242 L N 0.743 122.031 121.223 0.109 0.000 2.622 242 L HA -0.014 4.326 4.340 -0.000 0.000 0.233 242 L C 2.380 179.261 176.870 0.018 0.000 1.156 242 L CA 2.108 56.987 54.840 0.066 0.000 0.866 242 L CB -0.921 41.120 42.059 -0.030 0.000 0.980 242 L HN 0.656 nan 8.230 nan 0.000 0.448 243 T N -4.801 109.771 114.554 0.030 0.000 3.057 243 T HA 0.056 4.406 4.350 -0.000 0.000 0.254 243 T C 0.745 175.445 174.700 0.001 0.000 1.094 243 T CA -0.272 61.837 62.100 0.014 0.000 1.088 243 T CB -0.225 68.664 68.868 0.035 0.000 0.934 243 T HN 0.283 nan 8.240 nan 0.000 0.497 244 E N 3.403 123.607 120.200 0.007 0.000 2.351 244 E HA 0.237 4.587 4.350 -0.000 0.000 0.266 244 E C 0.274 176.854 176.600 -0.033 0.000 1.031 244 E CA -0.210 56.187 56.400 -0.005 0.000 0.911 244 E CB 0.648 30.345 29.700 -0.004 0.000 0.986 244 E HN 0.571 nan 8.360 nan 0.000 0.446 245 T N 0.416 114.952 114.554 -0.029 0.000 2.899 245 T HA 0.106 4.456 4.350 -0.000 0.000 0.284 245 T C 0.184 174.869 174.700 -0.025 0.000 1.004 245 T CA -1.022 61.054 62.100 -0.040 0.000 1.043 245 T CB 0.782 69.658 68.868 0.014 0.000 1.013 245 T HN 0.395 nan 8.240 nan 0.000 0.518 246 D N 0.567 120.955 120.400 -0.021 0.000 2.706 246 D HA -0.126 4.514 4.640 -0.000 0.000 0.230 246 D C -0.093 176.188 176.300 -0.033 0.000 1.184 246 D CA 0.937 54.930 54.000 -0.012 0.000 0.628 246 D CB -1.439 39.363 40.800 0.003 0.000 1.019 246 D HN 0.676 nan 8.370 nan 0.000 0.415 247 T N 0.398 114.918 114.554 -0.057 0.000 2.913 247 T HA 0.462 4.812 4.350 -0.000 0.000 0.287 247 T C 0.467 175.091 174.700 -0.127 0.000 1.008 247 T CA -0.534 61.506 62.100 -0.100 0.000 1.067 247 T CB 1.607 70.391 68.868 -0.138 0.000 0.996 247 T HN 0.308 nan 8.240 nan 0.000 0.513 248 Q N 0.099 119.810 119.800 -0.149 0.000 2.462 248 Q HA 0.573 4.913 4.340 -0.000 0.000 0.285 248 Q C -0.541 175.353 176.000 -0.177 0.000 1.035 248 Q CA -1.145 54.569 55.803 -0.149 0.000 0.799 248 Q CB 1.081 29.774 28.738 -0.075 0.000 1.452 248 Q HN 0.641 nan 8.270 nan 0.000 0.404 249 T N -1.654 112.800 114.554 -0.168 0.000 2.698 249 T HA 0.415 4.765 4.350 -0.000 0.000 0.295 249 T C 1.352 176.003 174.700 -0.081 0.000 1.007 249 T CA 0.080 62.098 62.100 -0.137 0.000 0.980 249 T CB 0.585 69.400 68.868 -0.088 0.000 1.036 249 T HN 0.790 nan 8.240 nan 0.000 0.526 250 A N 1.504 124.290 122.820 -0.056 0.000 1.908 250 A HA -0.151 4.169 4.320 -0.000 0.000 0.218 250 A C 2.241 179.804 177.584 -0.036 0.000 1.181 250 A CA 1.810 53.823 52.037 -0.040 0.000 0.627 250 A CB -1.139 17.845 19.000 -0.026 0.000 0.818 250 A HN 0.982 nan 8.150 nan 0.000 0.445 251 N N -0.666 118.012 118.700 -0.036 0.000 2.521 251 N HA 0.142 4.882 4.740 -0.000 0.000 0.188 251 N C 1.004 176.498 175.510 -0.028 0.000 1.146 251 N CA 1.512 54.543 53.050 -0.032 0.000 0.893 251 N CB -0.141 38.324 38.487 -0.036 0.000 0.975 251 N HN 0.859 nan 8.380 nan 0.000 0.451 252 G N -0.680 108.101 108.800 -0.032 0.000 2.179 252 G HA2 -0.235 3.725 3.960 -0.000 0.000 0.220 252 G HA3 -0.235 3.725 3.960 -0.000 0.000 0.220 252 G C -0.173 174.718 174.900 -0.015 0.000 0.990 252 G CA 0.155 45.240 45.100 -0.024 0.000 0.646 252 G HN 0.430 nan 8.290 nan 0.000 0.517 253 S N 0.819 116.510 115.700 -0.016 0.000 2.585 253 S HA 0.560 5.030 4.470 -0.000 0.000 0.273 253 S C 0.988 175.592 174.600 0.008 0.000 1.339 253 S CA 0.284 58.492 58.200 0.014 0.000 1.028 253 S CB 1.260 64.470 63.200 0.017 0.000 0.906 253 S HN 1.498 nan 8.310 nan 0.000 0.528 254 S N 1.897 117.643 115.700 0.076 0.000 2.572 254 S HA 0.529 4.999 4.470 -0.000 0.000 0.279 254 S C 0.081 174.705 174.600 0.039 0.000 1.341 254 S CA -0.541 57.712 58.200 0.088 0.000 1.043 254 S CB 0.504 63.819 63.200 0.191 0.000 0.887 254 S HN 0.858 nan 8.310 nan 0.000 0.516 255 S N 1.329 116.962 115.700 -0.112 0.000 2.671 255 S HA 0.872 5.342 4.470 -0.000 0.000 0.277 255 S C 0.597 175.038 174.600 -0.264 0.000 1.165 255 S CA -0.354 57.528 58.200 -0.530 0.000 0.822 255 S CB 0.593 63.122 63.200 -1.118 0.000 1.150 255 S HN 2.308 nan 8.310 nan 0.000 0.479 256 G N 1.002 109.577 108.800 -0.374 0.000 2.594 256 G HA2 -0.294 3.666 3.960 -0.000 0.000 0.297 256 G HA3 -0.294 3.666 3.960 -0.000 0.000 0.297 256 G C 0.761 175.901 174.900 0.401 0.000 1.273 256 G CA 0.397 45.613 45.100 0.194 0.000 0.974 256 G HN 1.419 nan 8.290 nan 0.000 0.552 257 L N 0.308 121.657 121.223 0.210 0.000 1.997 257 L HA -0.125 4.215 4.340 -0.000 0.000 0.216 257 L C 3.449 180.343 176.870 0.041 0.000 1.074 257 L CA 3.083 57.959 54.840 0.060 0.000 0.763 257 L CB -0.949 41.047 42.059 -0.106 0.000 0.890 257 L HN 0.981 nan 8.230 nan 0.000 0.434 258 A N -1.176 121.662 122.820 0.030 0.000 1.948 258 A HA -0.330 3.990 4.320 -0.000 0.000 0.220 258 A C 2.077 179.726 177.584 0.107 0.000 1.177 258 A CA 2.041 54.102 52.037 0.040 0.000 0.636 258 A CB -1.012 18.007 19.000 0.031 0.000 0.815 258 A HN 0.671 nan 8.150 nan 0.000 0.449 259 Y N 0.498 120.832 120.300 0.057 0.000 2.184 259 Y HA -0.131 4.419 4.550 -0.000 0.000 0.290 259 Y C 2.342 178.275 175.900 0.056 0.000 1.129 259 Y CA 1.868 60.034 58.100 0.111 0.000 1.144 259 Y CB -0.390 38.231 38.460 0.269 0.000 0.995 259 Y HN 0.051 nan 8.280 nan 0.000 0.513 260 V N 0.961 120.927 119.914 0.086 0.000 2.392 260 V HA -0.306 3.814 4.120 -0.000 0.000 0.249 260 V C 2.308 178.265 176.094 -0.229 0.000 1.059 260 V CA 2.335 64.528 62.300 -0.178 0.000 1.051 260 V CB -0.800 30.991 31.823 -0.054 0.000 0.658 260 V HN 0.285 nan 8.190 nan 0.000 0.455 261 K N 0.746 121.078 120.400 -0.114 0.000 2.148 261 K HA -0.179 4.141 4.320 -0.000 0.000 0.204 261 K C 2.095 178.623 176.600 -0.119 0.000 1.050 261 K CA 1.728 57.962 56.287 -0.090 0.000 0.942 261 K CB -0.280 32.207 32.500 -0.022 0.000 0.724 261 K HN 0.555 nan 8.250 nan 0.000 0.446 262 E N -0.004 120.112 120.200 -0.141 0.000 2.106 262 E HA -0.123 4.227 4.350 -0.000 0.000 0.192 262 E C 1.866 178.333 176.600 -0.222 0.000 0.984 262 E CA 0.799 57.112 56.400 -0.144 0.000 0.806 262 E CB -0.044 29.596 29.700 -0.100 0.000 0.750 262 E HN 0.321 nan 8.360 nan 0.000 0.458 263 L N -0.531 120.479 121.223 -0.354 0.000 2.079 263 L HA -0.117 4.223 4.340 -0.000 0.000 0.210 263 L C 1.683 178.396 176.870 -0.261 0.000 1.081 263 L CA 1.308 55.924 54.840 -0.372 0.000 0.752 263 L CB -0.172 41.566 42.059 -0.536 0.000 0.896 263 L HN 0.556 nan 8.230 nan 0.000 0.433 264 G N -0.611 108.056 108.800 -0.221 0.000 2.148 264 G HA2 -0.212 3.748 3.960 -0.000 0.000 0.203 264 G HA3 -0.212 3.748 3.960 -0.000 0.000 0.203 264 G C 0.257 175.081 174.900 -0.127 0.000 0.993 264 G CA 0.033 45.041 45.100 -0.154 0.000 0.661 264 G HN 0.271 nan 8.290 nan 0.000 0.518 265 V N -0.559 119.254 119.914 -0.167 0.000 2.924 265 V HA 0.755 4.875 4.120 -0.000 0.000 0.305 265 V C 1.406 177.470 176.094 -0.051 0.000 1.073 265 V CA 1.358 63.591 62.300 -0.111 0.000 1.098 265 V CB 1.219 32.940 31.823 -0.170 0.000 1.000 265 V HN 0.996 nan 8.190 nan 0.000 0.484 266 T N 0.126 114.694 114.554 0.023 0.000 3.042 266 T HA 0.258 4.608 4.350 -0.000 0.000 0.245 266 T C 0.490 175.128 174.700 -0.104 0.000 1.029 266 T CA 0.483 62.603 62.100 0.034 0.000 1.120 266 T CB -0.284 68.706 68.868 0.204 0.000 0.917 266 T HN 0.834 nan 8.240 nan 0.000 0.467 267 H N 0.016 119.013 119.070 -0.121 0.000 2.538 267 H HA 0.717 5.273 4.556 -0.000 0.000 0.353 267 H C -1.220 174.066 175.328 -0.069 0.000 1.109 267 H CA -0.823 55.152 56.048 -0.123 0.000 1.192 267 H CB 2.063 31.722 29.762 -0.171 0.000 1.555 267 H HN 0.037 nan 8.280 nan 0.000 0.518 268 V N 2.522 122.453 119.914 0.029 0.000 2.347 268 V HA 0.167 4.287 4.120 -0.000 0.000 0.280 268 V C 0.152 176.234 176.094 -0.021 0.000 1.021 268 V CA -0.711 61.595 62.300 0.010 0.000 0.847 268 V CB 1.162 32.959 31.823 -0.044 0.000 0.990 268 V HN 0.755 nan 8.190 nan 0.000 0.444 269 E N 5.427 125.615 120.200 -0.021 0.000 2.146 269 E HA 0.516 4.866 4.350 -0.000 0.000 0.282 269 E C -1.170 175.386 176.600 -0.074 0.000 0.989 269 E CA -0.517 55.869 56.400 -0.022 0.000 0.799 269 E CB 0.938 30.686 29.700 0.080 0.000 1.088 269 E HN 0.615 nan 8.360 nan 0.000 0.397 270 L N 4.426 125.577 121.223 -0.120 0.000 2.334 270 L HA 0.357 4.697 4.340 -0.000 0.000 0.275 270 L C -0.034 176.723 176.870 -0.189 0.000 1.036 270 L CA -1.096 53.647 54.840 -0.161 0.000 0.807 270 L CB 0.861 42.809 42.059 -0.185 0.000 1.231 270 L HN 0.503 nan 8.230 nan 0.000 0.438 271 L N 3.049 124.138 121.223 -0.224 0.000 2.476 271 L HA 0.236 4.576 4.340 -0.000 0.000 0.255 271 L C -1.936 174.733 176.870 -0.334 0.000 1.218 271 L CA -0.943 53.713 54.840 -0.306 0.000 0.819 271 L CB -0.390 41.492 42.059 -0.294 0.000 1.119 271 L HN 0.369 nan 8.230 nan 0.000 0.485 272 P HA -0.138 nan 4.420 nan 0.000 0.257 272 P C 0.202 177.451 177.300 -0.084 0.000 1.144 272 P CA 0.647 63.534 63.100 -0.356 0.000 0.761 272 P CB 0.064 31.427 31.700 -0.562 0.000 0.734 273 V N 0.493 120.359 119.914 -0.080 0.000 3.528 273 V HA 0.143 4.263 4.120 -0.000 0.000 0.294 273 V C 0.634 176.784 176.094 0.092 0.000 1.404 273 V CA -0.070 62.298 62.300 0.114 0.000 1.065 273 V CB -1.010 30.852 31.823 0.065 0.000 0.904 273 V HN 0.441 nan 8.190 nan 0.000 0.435 274 N N 0.567 119.249 118.700 -0.030 0.000 2.424 274 N HA 0.172 4.912 4.740 -0.000 0.000 0.257 274 N C -0.333 175.223 175.510 0.076 0.000 1.250 274 N CA -0.373 52.713 53.050 0.060 0.000 0.946 274 N CB 0.300 38.773 38.487 -0.023 0.000 1.175 274 N HN 0.203 nan 8.380 nan 0.000 0.477 275 D N -0.348 120.079 120.400 0.045 0.000 2.450 275 D HA 0.127 4.767 4.640 -0.000 0.000 0.247 275 D C -0.975 175.230 176.300 -0.157 0.000 1.162 275 D CA 0.020 53.950 54.000 -0.116 0.000 0.879 275 D CB -0.050 40.759 40.800 0.016 0.000 1.163 275 D HN 0.467 nan 8.370 nan 0.000 0.472 276 F N 1.257 121.086 119.950 -0.202 0.000 2.654 276 F HA 0.860 5.387 4.527 -0.000 0.000 0.334 276 F C -0.587 175.052 175.800 -0.268 0.000 1.078 276 F CA -1.498 56.348 58.000 -0.257 0.000 0.986 276 F CB 0.720 39.574 39.000 -0.245 0.000 1.362 276 F HN 0.275 nan 8.300 nan 0.000 0.498 277 A N -0.331 122.460 122.820 -0.048 0.000 2.311 277 A HA 0.771 5.091 4.320 -0.000 0.000 0.334 277 A C 0.599 178.126 177.584 -0.096 0.000 1.139 277 A CA -0.269 51.634 52.037 -0.223 0.000 0.830 277 A CB 0.643 19.296 19.000 -0.578 0.000 1.234 277 A HN 2.095 nan 8.150 nan 0.000 0.483 278 G N -0.944 107.802 108.800 -0.089 0.000 2.624 278 G HA2 0.045 4.005 3.960 -0.000 0.000 0.190 278 G HA3 0.045 4.005 3.960 -0.000 0.000 0.190 278 G C -0.252 174.652 174.900 0.007 0.000 1.008 278 G CA 0.263 45.353 45.100 -0.016 0.000 0.731 278 G HN 1.493 nan 8.290 nan 0.000 0.478 279 V N 1.725 121.627 119.914 -0.019 0.000 2.638 279 V HA 0.551 4.671 4.120 -0.000 0.000 0.306 279 V C -1.040 174.991 176.094 -0.105 0.000 1.052 279 V CA -0.928 61.341 62.300 -0.051 0.000 0.885 279 V CB 1.944 33.730 31.823 -0.062 0.000 0.999 279 V HN 0.290 nan 8.190 nan 0.000 0.424 280 D N 3.277 123.633 120.400 -0.072 0.000 2.339 280 D HA 0.124 4.764 4.640 -0.000 0.000 0.256 280 D C 1.146 177.382 176.300 -0.105 0.000 1.214 280 D CA 0.062 54.016 54.000 -0.077 0.000 0.877 280 D CB 1.282 42.059 40.800 -0.039 0.000 1.111 280 D HN 0.678 nan 8.370 nan 0.000 0.478 281 E N 2.657 122.768 120.200 -0.148 0.000 2.338 281 E HA -0.129 4.221 4.350 -0.000 0.000 0.197 281 E C 0.990 177.503 176.600 -0.144 0.000 1.007 281 E CA 0.553 56.843 56.400 -0.182 0.000 0.849 281 E CB 0.414 29.974 29.700 -0.234 0.000 0.774 281 E HN 0.582 nan 8.360 nan 0.000 0.506 282 E N 1.123 121.268 120.200 -0.091 0.000 2.230 282 E HA -0.066 4.284 4.350 -0.000 0.000 0.192 282 E C 0.689 177.287 176.600 -0.003 0.000 0.987 282 E CA 0.745 57.130 56.400 -0.025 0.000 0.841 282 E CB 0.181 29.894 29.700 0.022 0.000 0.783 282 E HN 0.295 nan 8.360 nan 0.000 0.481 283 K N 0.270 120.658 120.400 -0.019 0.000 3.098 283 K HA 0.260 4.580 4.320 -0.000 0.000 0.170 283 K C -2.442 174.150 176.600 -0.013 0.000 1.106 283 K CA -1.098 55.185 56.287 -0.006 0.000 0.864 283 K CB 1.404 33.907 32.500 0.004 0.000 1.047 283 K HN -0.239 nan 8.250 nan 0.000 0.609 284 P HA -0.188 nan 4.420 nan 0.000 0.217 284 P C 1.042 178.355 177.300 0.021 0.000 1.148 284 P CA 0.946 64.034 63.100 -0.022 0.000 0.828 284 P CB 0.251 31.930 31.700 -0.035 0.000 0.783 285 L N -0.622 120.620 121.223 0.031 0.000 2.478 285 L HA -0.041 4.299 4.340 -0.000 0.000 0.223 285 L C 1.709 178.606 176.870 0.044 0.000 1.140 285 L CA 0.947 55.816 54.840 0.049 0.000 0.842 285 L CB -0.839 41.244 42.059 0.040 0.000 0.953 285 L HN -0.127 nan 8.230 nan 0.000 0.452 286 D N 0.220 120.638 120.400 0.030 0.000 2.347 286 D HA 0.146 4.785 4.640 -0.000 0.000 0.215 286 D C 0.647 176.965 176.300 0.031 0.000 0.976 286 D CA 0.585 54.600 54.000 0.024 0.000 0.884 286 D CB 0.348 41.156 40.800 0.014 0.000 0.915 286 D HN 0.322 nan 8.370 nan 0.000 0.526 287 A N -0.751 122.097 122.820 0.047 0.000 2.610 287 A HA 0.583 4.903 4.320 -0.000 0.000 0.291 287 A C -1.942 175.717 177.584 0.124 0.000 1.086 287 A CA -0.736 51.338 52.037 0.062 0.000 0.677 287 A CB 1.292 20.310 19.000 0.031 0.000 1.278 287 A HN 0.013 nan 8.150 nan 0.000 0.414 288 Y N 1.500 121.787 120.300 -0.022 0.000 2.524 288 Y HA 0.747 5.297 4.550 -0.000 0.000 0.347 288 Y C -0.890 174.988 175.900 -0.037 0.000 1.005 288 Y CA -1.014 57.084 58.100 -0.003 0.000 1.025 288 Y CB 1.909 40.348 38.460 -0.035 0.000 1.275 288 Y HN 0.816 nan 8.280 nan 0.000 0.460 289 N N 3.732 122.141 118.700 -0.485 0.000 2.555 289 N HA 0.063 4.803 4.740 -0.000 0.000 0.265 289 N C -0.280 175.044 175.510 -0.309 0.000 1.135 289 N CA -0.403 52.507 53.050 -0.235 0.000 0.925 289 N CB 0.957 39.410 38.487 -0.057 0.000 1.662 289 N HN 0.805 nan 8.380 nan 0.000 0.489 290 W N 2.181 123.404 121.300 -0.128 0.000 2.358 290 W HA 0.092 4.752 4.660 -0.000 0.000 0.303 290 W C 1.507 177.703 176.519 -0.540 0.000 1.208 290 W CA 2.195 59.481 57.345 -0.100 0.000 1.274 290 W CB -0.542 29.015 29.460 0.162 0.000 1.138 290 W HN 0.883 nan 8.180 nan 0.000 0.515 291 G N -2.436 105.992 108.800 -0.620 0.000 2.151 291 G HA2 -0.251 3.709 3.960 -0.000 0.000 0.140 291 G HA3 -0.251 3.709 3.960 -0.000 0.000 0.140 291 G C -0.219 174.163 174.900 -0.864 0.000 1.020 291 G CA -0.340 43.824 45.100 -1.561 0.000 0.688 291 G HN 0.204 nan 8.290 nan 0.000 0.500 292 Y N 1.731 121.933 120.300 -0.163 0.000 2.881 292 Y HA 0.360 4.910 4.550 -0.000 0.000 0.369 292 Y C 0.804 176.757 175.900 0.089 0.000 1.066 292 Y CA -0.578 57.525 58.100 0.006 0.000 1.616 292 Y CB 0.111 38.669 38.460 0.164 0.000 1.436 292 Y HN 0.187 nan 8.280 nan 0.000 0.505 293 N N 1.206 119.942 118.700 0.060 0.000 2.790 293 N HA 0.207 4.947 4.740 -0.000 0.000 0.256 293 N C -3.153 172.341 175.510 -0.026 0.000 1.409 293 N CA -1.475 51.627 53.050 0.087 0.000 0.799 293 N CB 1.232 39.625 38.487 -0.157 0.000 1.170 293 N HN 0.036 nan 8.380 nan 0.000 0.507 294 P HA 0.085 nan 4.420 nan 0.000 0.263 294 P C 0.642 177.740 177.300 -0.338 0.000 1.195 294 P CA 0.069 62.953 63.100 -0.361 0.000 0.762 294 P CB 1.157 32.475 31.700 -0.637 0.000 0.799 295 L N 2.296 123.255 121.223 -0.441 0.000 2.588 295 L HA 0.196 4.536 4.340 -0.000 0.000 0.194 295 L C 0.503 176.873 176.870 -0.833 0.000 1.070 295 L CA 0.426 54.916 54.840 -0.583 0.000 0.852 295 L CB 0.073 41.761 42.059 -0.617 0.000 1.199 295 L HN 0.419 nan 8.230 nan 0.000 0.486 296 H N -0.752 118.194 119.070 -0.206 0.000 2.906 296 H HA 0.231 4.787 4.556 -0.000 0.000 0.324 296 H C -0.045 175.290 175.328 0.012 0.000 0.973 296 H CA -0.700 55.314 56.048 -0.056 0.000 1.321 296 H CB 1.298 31.071 29.762 0.019 0.000 1.535 296 H HN -0.018 nan 8.280 nan 0.000 0.518 297 F N 0.543 120.725 119.950 0.386 0.000 2.407 297 F HA -0.044 4.483 4.527 -0.000 0.000 0.299 297 F C 1.411 177.481 175.800 0.451 0.000 1.097 297 F CA 0.858 59.098 58.000 0.400 0.000 1.422 297 F CB 0.056 39.380 39.000 0.540 0.000 1.067 297 F HN 0.380 nan 8.300 nan 0.000 0.539 298 F N -0.267 119.977 119.950 0.491 0.000 2.727 298 F HA 0.415 4.941 4.527 -0.000 0.000 0.302 298 F C 0.935 176.871 175.800 0.226 0.000 1.097 298 F CA -0.304 57.870 58.000 0.289 0.000 1.330 298 F CB -0.344 38.627 39.000 -0.048 0.000 1.084 298 F HN -0.202 nan 8.300 nan 0.000 0.578 299 A N -0.120 122.970 122.820 0.450 0.000 2.380 299 A HA 0.772 5.092 4.320 -0.000 0.000 0.315 299 A C -2.696 175.101 177.584 0.355 0.000 1.101 299 A CA -1.886 50.337 52.037 0.311 0.000 0.771 299 A CB 0.938 20.045 19.000 0.179 0.000 1.287 299 A HN -0.164 nan 8.150 nan 0.000 0.436 300 P HA 0.359 nan 4.420 nan 0.000 0.276 300 P C -0.617 176.776 177.300 0.155 0.000 1.244 300 P CA -0.318 62.945 63.100 0.272 0.000 0.801 300 P CB 0.614 32.451 31.700 0.229 0.000 1.006 301 E N 0.457 120.729 120.200 0.119 0.000 2.373 301 E HA 0.232 4.582 4.350 -0.000 0.000 0.267 301 E C 1.273 177.778 176.600 -0.157 0.000 1.032 301 E CA 0.212 56.490 56.400 -0.204 0.000 0.889 301 E CB 0.036 29.456 29.700 -0.466 0.000 0.984 301 E HN 0.525 nan 8.360 nan 0.000 0.425 302 G N 2.164 110.786 108.800 -0.297 0.000 2.494 302 G HA2 -0.181 3.779 3.960 -0.000 0.000 0.216 302 G HA3 -0.181 3.779 3.960 -0.000 0.000 0.216 302 G C 1.304 176.036 174.900 -0.280 0.000 1.140 302 G CA 0.529 45.501 45.100 -0.213 0.000 0.801 302 G HN 0.619 nan 8.290 nan 0.000 0.536 303 S N -0.039 115.379 115.700 -0.470 0.000 2.474 303 S HA -0.056 4.414 4.470 -0.000 0.000 0.235 303 S C 1.764 176.163 174.600 -0.335 0.000 0.997 303 S CA 0.666 58.618 58.200 -0.413 0.000 0.949 303 S CB -0.474 62.439 63.200 -0.479 0.000 0.766 303 S HN 0.351 nan 8.310 nan 0.000 0.517 304 Y N 1.858 121.942 120.300 -0.361 0.000 2.466 304 Y HA 0.608 5.158 4.550 -0.000 0.000 0.272 304 Y C 1.320 176.920 175.900 -0.501 0.000 1.169 304 Y CA -1.017 56.725 58.100 -0.598 0.000 1.285 304 Y CB -0.827 36.903 38.460 -1.215 0.000 1.078 304 Y HN 0.413 nan 8.280 nan 0.000 0.523 305 A N -0.043 122.746 122.820 -0.053 0.000 2.279 305 A HA 0.447 4.767 4.320 -0.000 0.000 0.303 305 A C 1.521 179.151 177.584 0.076 0.000 1.108 305 A CA 0.179 52.307 52.037 0.151 0.000 0.830 305 A CB 0.463 19.591 19.000 0.214 0.000 1.106 305 A HN 0.273 nan 8.150 nan 0.000 0.493 306 S N 0.444 116.206 115.700 0.102 0.000 2.368 306 S HA -0.126 4.344 4.470 -0.000 0.000 0.225 306 S C 0.634 175.267 174.600 0.055 0.000 1.030 306 S CA 1.367 59.609 58.200 0.070 0.000 0.999 306 S CB -0.379 62.865 63.200 0.074 0.000 0.844 306 S HN 0.818 nan 8.310 nan 0.000 0.459 307 N N 1.297 120.031 118.700 0.058 0.000 2.549 307 N HA 0.303 5.043 4.740 -0.000 0.000 0.281 307 N C -2.622 172.891 175.510 0.004 0.000 1.084 307 N CA -1.754 51.329 53.050 0.055 0.000 0.862 307 N CB 1.912 40.451 38.487 0.086 0.000 1.333 307 N HN 0.031 nan 8.380 nan 0.000 0.523 308 P HA -0.030 nan 4.420 nan 0.000 0.241 308 P C 0.364 177.509 177.300 -0.258 0.000 1.191 308 P CA 0.649 63.629 63.100 -0.201 0.000 0.771 308 P CB 0.246 31.773 31.700 -0.288 0.000 0.929 309 H N -0.150 118.911 119.070 -0.014 0.000 2.448 309 H HA 0.042 4.598 4.556 -0.000 0.000 0.292 309 H C 0.277 175.591 175.328 -0.024 0.000 1.035 309 H CA 0.735 56.770 56.048 -0.022 0.000 1.349 309 H CB -0.198 29.553 29.762 -0.017 0.000 1.425 309 H HN 0.238 nan 8.280 nan 0.000 0.539 310 D N 1.593 122.048 120.400 0.093 0.000 2.365 310 D HA 0.085 4.725 4.640 -0.000 0.000 0.237 310 D C -1.653 174.656 176.300 0.016 0.000 1.190 310 D CA -1.969 52.059 54.000 0.046 0.000 0.867 310 D CB 1.550 42.381 40.800 0.051 0.000 1.050 310 D HN -0.081 nan 8.370 nan 0.000 0.491 311 P HA -0.248 nan 4.420 nan 0.000 0.218 311 P C 1.047 178.344 177.300 -0.004 0.000 1.154 311 P CA 1.156 64.241 63.100 -0.024 0.000 0.872 311 P CB 0.217 31.879 31.700 -0.062 0.000 0.790 312 Q N -1.049 118.750 119.800 -0.002 0.000 2.187 312 Q HA -0.085 4.255 4.340 -0.000 0.000 0.199 312 Q C 1.923 177.940 176.000 0.027 0.000 0.957 312 Q CA 1.845 57.656 55.803 0.013 0.000 0.857 312 Q CB -1.373 27.377 28.738 0.021 0.000 0.929 312 Q HN 0.091 nan 8.270 nan 0.000 0.453 313 T N 1.559 116.134 114.554 0.036 0.000 2.597 313 T HA -0.296 4.054 4.350 -0.000 0.000 0.267 313 T C 1.569 176.312 174.700 0.072 0.000 1.053 313 T CA 2.262 64.392 62.100 0.050 0.000 1.165 313 T CB -0.424 68.478 68.868 0.058 0.000 0.863 313 T HN 0.637 nan 8.240 nan 0.000 0.427 314 R N 1.522 122.081 120.500 0.097 0.000 2.127 314 R HA -0.096 4.244 4.340 -0.000 0.000 0.238 314 R C 2.136 178.471 176.300 0.057 0.000 1.134 314 R CA 1.570 57.764 56.100 0.156 0.000 0.975 314 R CB -0.324 30.094 30.300 0.197 0.000 0.865 314 R HN 0.343 nan 8.270 nan 0.000 0.447 315 K N 0.391 120.834 120.400 0.072 0.000 2.031 315 K HA -0.015 4.305 4.320 -0.000 0.000 0.205 315 K C 2.162 178.777 176.600 0.024 0.000 1.049 315 K CA 1.892 58.240 56.287 0.102 0.000 0.939 315 K CB -0.143 32.410 32.500 0.088 0.000 0.717 315 K HN 0.171 nan 8.250 nan 0.000 0.438 316 T N 1.683 116.231 114.554 -0.011 0.000 2.720 316 T HA -0.143 4.207 4.350 -0.000 0.000 0.268 316 T C 1.588 176.259 174.700 -0.048 0.000 1.037 316 T CA 1.454 63.524 62.100 -0.049 0.000 1.144 316 T CB -0.147 68.701 68.868 -0.033 0.000 0.864 316 T HN 0.329 nan 8.240 nan 0.000 0.444 317 E N 0.432 120.619 120.200 -0.022 0.000 2.152 317 E HA -0.022 4.328 4.350 -0.000 0.000 0.192 317 E C 2.114 178.643 176.600 -0.118 0.000 0.983 317 E CA 0.480 56.876 56.400 -0.006 0.000 0.818 317 E CB -0.178 29.601 29.700 0.132 0.000 0.758 317 E HN 0.229 nan 8.360 nan 0.000 0.467 318 L N 1.797 122.812 121.223 -0.345 0.000 2.056 318 L HA -0.127 4.213 4.340 -0.000 0.000 0.207 318 L C 1.814 178.667 176.870 -0.027 0.000 1.078 318 L CA 1.811 56.386 54.840 -0.440 0.000 0.749 318 L CB -0.129 41.609 42.059 -0.534 0.000 0.901 318 L HN -0.126 nan 8.230 nan 0.000 0.433 319 K N -0.933 119.505 120.400 0.064 0.000 2.097 319 K HA -0.149 4.171 4.320 -0.000 0.000 0.205 319 K C 2.041 178.646 176.600 0.008 0.000 1.050 319 K CA 1.573 57.929 56.287 0.116 0.000 0.938 319 K CB -0.165 32.272 32.500 -0.104 0.000 0.718 319 K HN 0.517 nan 8.250 nan 0.000 0.442 320 Q N 0.569 120.338 119.800 -0.051 0.000 2.050 320 Q HA -0.150 4.190 4.340 -0.000 0.000 0.202 320 Q C 2.220 178.225 176.000 0.009 0.000 0.980 320 Q CA 1.414 57.192 55.803 -0.042 0.000 0.840 320 Q CB -0.197 28.521 28.738 -0.033 0.000 0.898 320 Q HN 0.346 nan 8.270 nan 0.000 0.424 321 M N 0.767 120.377 119.600 0.016 0.000 2.073 321 M HA -0.229 4.251 4.480 -0.000 0.000 0.258 321 M C 2.040 178.337 176.300 -0.005 0.000 1.070 321 M CA 1.696 57.009 55.300 0.020 0.000 1.103 321 M CB -0.104 32.519 32.600 0.038 0.000 1.321 321 M HN 0.185 nan 8.290 nan 0.000 0.405 322 I N 0.398 120.968 120.570 -0.001 0.000 2.226 322 I HA -0.327 3.843 4.170 -0.000 0.000 0.245 322 I C 2.150 178.157 176.117 -0.183 0.000 1.100 322 I CA 1.592 62.832 61.300 -0.100 0.000 1.374 322 I CB -0.675 37.311 38.000 -0.022 0.000 1.057 322 I HN 0.472 nan 8.210 nan 0.000 0.413 323 N N 0.399 119.146 118.700 0.078 0.000 2.120 323 N HA -0.163 4.577 4.740 -0.000 0.000 0.188 323 N C 1.712 177.290 175.510 0.113 0.000 1.024 323 N CA 1.970 55.118 53.050 0.163 0.000 0.852 323 N CB -0.094 38.485 38.487 0.152 0.000 1.003 323 N HN 0.189 nan 8.380 nan 0.000 0.424 324 T N 0.783 115.386 114.554 0.081 0.000 2.746 324 T HA -0.071 4.279 4.350 -0.000 0.000 0.267 324 T C 1.898 176.714 174.700 0.194 0.000 1.039 324 T CA 1.064 63.247 62.100 0.139 0.000 1.142 324 T CB -0.337 68.590 68.868 0.097 0.000 0.866 324 T HN 0.172 nan 8.240 nan 0.000 0.444 325 L N 0.070 121.341 121.223 0.080 0.000 2.042 325 L HA -0.154 4.186 4.340 -0.000 0.000 0.210 325 L C 2.589 179.568 176.870 0.182 0.000 1.076 325 L CA 1.641 56.530 54.840 0.081 0.000 0.749 325 L CB -0.759 41.289 42.059 -0.018 0.000 0.893 325 L HN 0.460 nan 8.230 nan 0.000 0.432 326 H N -0.531 118.579 119.070 0.066 0.000 2.319 326 H HA -0.209 4.347 4.556 -0.000 0.000 0.299 326 H C 2.392 177.742 175.328 0.036 0.000 1.092 326 H CA 1.213 57.283 56.048 0.037 0.000 1.302 326 H CB 0.080 29.874 29.762 0.052 0.000 1.373 326 H HN 0.434 nan 8.280 nan 0.000 0.497 327 Q N -0.090 119.821 119.800 0.185 0.000 2.234 327 Q HA -0.146 4.194 4.340 -0.000 0.000 0.206 327 Q C 1.086 177.018 176.000 -0.113 0.000 0.980 327 Q CA 0.979 56.796 55.803 0.024 0.000 0.869 327 Q CB 0.127 28.860 28.738 -0.009 0.000 0.912 327 Q HN 0.689 nan 8.270 nan 0.000 0.436 328 H N -1.515 117.581 119.070 0.043 0.000 2.517 328 H HA 0.169 4.724 4.556 -0.000 0.000 0.282 328 H C 0.927 176.258 175.328 0.005 0.000 1.023 328 H CA 0.619 56.678 56.048 0.018 0.000 1.169 328 H CB 0.842 30.612 29.762 0.013 0.000 1.454 328 H HN 0.451 nan 8.280 nan 0.000 0.556 329 G N 1.263 110.107 108.800 0.074 0.000 2.136 329 G HA2 -0.260 3.700 3.960 -0.000 0.000 0.242 329 G HA3 -0.260 3.700 3.960 -0.000 0.000 0.242 329 G C 0.053 174.962 174.900 0.016 0.000 0.989 329 G CA -0.004 45.113 45.100 0.029 0.000 0.682 329 G HN 0.269 nan 8.290 nan 0.000 0.522 330 L N -0.007 121.243 121.223 0.044 0.000 2.317 330 L HA 0.677 5.017 4.340 -0.000 0.000 0.281 330 L C 0.999 177.866 176.870 -0.005 0.000 1.024 330 L CA -1.056 53.775 54.840 -0.014 0.000 0.810 330 L CB 1.409 43.462 42.059 -0.010 0.000 1.240 330 L HN 0.093 nan 8.230 nan 0.000 0.427 331 R N 1.298 121.688 120.500 -0.184 0.000 2.691 331 R HA 0.765 5.105 4.340 -0.000 0.000 0.259 331 R C -1.175 175.038 176.300 -0.145 0.000 1.048 331 R CA -0.869 55.104 56.100 -0.213 0.000 1.086 331 R CB 2.130 32.041 30.300 -0.648 0.000 1.166 331 R HN 0.290 nan 8.270 nan 0.000 0.526 332 V N 2.438 122.305 119.914 -0.080 0.000 2.604 332 V HA 0.482 4.602 4.120 -0.000 0.000 0.305 332 V C -0.283 175.733 176.094 -0.131 0.000 1.043 332 V CA -0.704 61.538 62.300 -0.097 0.000 0.888 332 V CB 1.943 33.692 31.823 -0.124 0.000 0.995 332 V HN 0.561 nan 8.190 nan 0.000 0.429 333 I N 4.552 125.044 120.570 -0.130 0.000 2.465 333 I HA 0.440 4.610 4.170 -0.000 0.000 0.291 333 I C -1.173 174.782 176.117 -0.269 0.000 1.014 333 I CA -0.757 60.420 61.300 -0.205 0.000 1.093 333 I CB 2.041 40.006 38.000 -0.058 0.000 1.267 333 I HN 0.338 nan 8.210 nan 0.000 0.431 334 L N 5.633 126.606 121.223 -0.417 0.000 2.282 334 L HA 0.357 4.697 4.340 -0.000 0.000 0.288 334 L C -0.050 176.641 176.870 -0.297 0.000 1.033 334 L CA -0.154 54.471 54.840 -0.359 0.000 0.807 334 L CB 1.078 42.884 42.059 -0.423 0.000 1.209 334 L HN 0.438 nan 8.230 nan 0.000 0.423 335 D N 3.039 123.278 120.400 -0.269 0.000 2.312 335 D HA 0.348 4.988 4.640 -0.000 0.000 0.252 335 D C -0.802 175.315 176.300 -0.305 0.000 1.150 335 D CA -0.020 53.839 54.000 -0.234 0.000 0.870 335 D CB 1.138 41.839 40.800 -0.165 0.000 1.153 335 D HN 0.255 nan 8.370 nan 0.000 0.457 336 V N 1.253 120.952 119.914 -0.359 0.000 2.769 336 V HA 0.596 4.716 4.120 -0.000 0.000 0.312 336 V C -0.042 175.804 176.094 -0.414 0.000 1.061 336 V CA -0.938 61.049 62.300 -0.521 0.000 0.931 336 V CB 1.909 33.269 31.823 -0.772 0.000 1.010 336 V HN 0.236 nan 8.190 nan 0.000 0.433 337 V N 3.272 122.927 119.914 -0.432 0.000 2.233 337 V HA 0.362 4.482 4.120 -0.000 0.000 0.261 337 V C -0.165 175.919 176.094 -0.016 0.000 1.076 337 V CA 0.074 62.306 62.300 -0.112 0.000 1.001 337 V CB -0.333 31.501 31.823 0.018 0.000 1.206 337 V HN 0.838 nan 8.190 nan 0.000 0.468 338 F N 1.921 122.017 119.950 0.242 0.000 2.664 338 F HA 0.178 4.705 4.527 -0.000 0.000 0.301 338 F C 1.869 177.759 175.800 0.151 0.000 1.126 338 F CA -0.360 57.724 58.000 0.140 0.000 1.373 338 F CB -0.262 38.789 39.000 0.085 0.000 1.042 338 F HN 0.536 nan 8.300 nan 0.000 0.535 339 N N 0.393 119.291 118.700 0.330 0.000 2.325 339 N HA -0.004 4.736 4.740 -0.000 0.000 0.182 339 N C 0.101 175.851 175.510 0.401 0.000 1.088 339 N CA 0.468 53.706 53.050 0.315 0.000 0.879 339 N CB 0.006 38.670 38.487 0.296 0.000 0.983 339 N HN 0.481 nan 8.380 nan 0.000 0.471 340 H N -1.658 117.612 119.070 0.333 0.000 2.950 340 H HA 0.545 5.101 4.556 -0.000 0.000 0.307 340 H C -1.340 174.259 175.328 0.451 0.000 1.403 340 H CA -1.031 55.242 56.048 0.375 0.000 1.145 340 H CB 1.209 31.137 29.762 0.277 0.000 1.844 340 H HN -0.069 nan 8.280 nan 0.000 0.515 341 V N -0.961 119.231 119.914 0.463 0.000 3.113 341 V HA 0.515 4.635 4.120 -0.000 0.000 0.316 341 V C -0.928 175.405 176.094 0.398 0.000 1.125 341 V CA -1.159 61.340 62.300 0.332 0.000 1.026 341 V CB 1.774 33.865 31.823 0.447 0.000 1.080 341 V HN 0.955 nan 8.190 nan 0.000 0.444 342 Y N 2.058 122.438 120.300 0.133 0.000 2.336 342 Y HA 0.472 5.022 4.550 -0.000 0.000 0.335 342 Y C 0.746 176.697 175.900 0.085 0.000 1.046 342 Y CA -0.162 58.020 58.100 0.135 0.000 1.198 342 Y CB 0.444 38.945 38.460 0.069 0.000 1.182 342 Y HN 0.906 nan 8.280 nan 0.000 0.502 343 K N 5.245 125.416 120.400 -0.382 0.000 5.728 343 K HA -0.305 4.015 4.320 -0.000 0.000 0.427 343 K C 1.121 177.639 176.600 -0.136 0.000 1.056 343 K CA 0.826 56.916 56.287 -0.330 0.000 1.274 343 K CB -0.292 31.945 32.500 -0.438 0.000 1.831 343 K HN 0.919 nan 8.250 nan 0.000 0.384 344 R N 2.329 122.733 120.500 -0.160 0.000 2.096 344 R HA -0.243 4.097 4.340 -0.000 0.000 0.240 344 R C 1.281 177.479 176.300 -0.170 0.000 1.139 344 R CA 2.483 58.418 56.100 -0.275 0.000 0.952 344 R CB 0.061 29.994 30.300 -0.610 0.000 0.854 344 R HN 0.583 nan 8.270 nan 0.000 0.436 345 E N 0.361 120.481 120.200 -0.133 0.000 2.160 345 E HA -0.151 4.199 4.350 -0.000 0.000 0.195 345 E C 1.003 177.604 176.600 0.002 0.000 0.991 345 E CA 1.380 57.747 56.400 -0.055 0.000 0.810 345 E CB -0.130 29.538 29.700 -0.053 0.000 0.742 345 E HN 0.410 nan 8.360 nan 0.000 0.466 346 N N 0.457 119.154 118.700 -0.004 0.000 2.230 346 N HA 0.039 4.779 4.740 -0.000 0.000 0.202 346 N C -0.356 175.188 175.510 0.057 0.000 1.119 346 N CA 0.291 53.358 53.050 0.029 0.000 0.851 346 N CB 0.563 39.057 38.487 0.011 0.000 0.990 346 N HN 0.172 nan 8.380 nan 0.000 0.497 347 S N 0.483 116.232 115.700 0.082 0.000 2.592 347 S HA 0.309 4.779 4.470 -0.000 0.000 0.271 347 S C -1.631 173.049 174.600 0.134 0.000 1.326 347 S CA -0.898 57.369 58.200 0.111 0.000 1.024 347 S CB 1.956 65.285 63.200 0.214 0.000 0.921 347 S HN -0.177 nan 8.310 nan 0.000 0.527 348 P HA -0.083 nan 4.420 nan 0.000 0.216 348 P C 1.017 178.421 177.300 0.174 0.000 1.150 348 P CA 1.120 64.260 63.100 0.068 0.000 0.843 348 P CB -0.088 31.590 31.700 -0.037 0.000 0.787 349 F N -0.001 120.006 119.950 0.094 0.000 2.069 349 F HA -0.163 4.364 4.527 -0.000 0.000 0.298 349 F C 2.423 178.448 175.800 0.375 0.000 1.113 349 F CA 1.324 59.347 58.000 0.039 0.000 1.214 349 F CB -1.460 37.429 39.000 -0.186 0.000 0.978 349 F HN -0.031 nan 8.300 nan 0.000 0.474 350 E N 0.460 121.030 120.200 0.617 0.000 2.150 350 E HA -0.137 4.213 4.350 -0.000 0.000 0.193 350 E C 1.842 178.628 176.600 0.310 0.000 0.985 350 E CA 1.264 57.948 56.400 0.474 0.000 0.814 350 E CB -0.205 29.690 29.700 0.325 0.000 0.752 350 E HN 0.245 nan 8.360 nan 0.000 0.466 351 K N -0.967 119.589 120.400 0.259 0.000 2.432 351 K HA 0.039 4.359 4.320 -0.000 0.000 0.196 351 K C 1.416 178.129 176.600 0.188 0.000 1.038 351 K CA 1.196 57.597 56.287 0.190 0.000 0.986 351 K CB 0.335 32.932 32.500 0.162 0.000 0.782 351 K HN 0.107 nan 8.250 nan 0.000 0.485 352 T N -0.181 114.525 114.554 0.254 0.000 3.004 352 T HA 0.057 4.407 4.350 -0.000 0.000 0.243 352 T C 0.524 175.330 174.700 0.175 0.000 1.020 352 T CA 0.386 62.622 62.100 0.227 0.000 1.145 352 T CB 0.561 69.627 68.868 0.331 0.000 0.876 352 T HN -0.177 nan 8.240 nan 0.000 0.449 353 V N 3.284 123.369 119.914 0.285 0.000 2.454 353 V HA 0.323 4.443 4.120 -0.000 0.000 0.267 353 V C -2.965 173.295 176.094 0.277 0.000 0.993 353 V CA -2.228 60.182 62.300 0.182 0.000 0.836 353 V CB 1.001 32.895 31.823 0.119 0.000 1.055 353 V HN 0.108 nan 8.190 nan 0.000 0.452 354 P HA 0.195 nan 4.420 nan 0.000 0.260 354 P C 1.198 178.617 177.300 0.198 0.000 1.185 354 P CA 1.677 64.899 63.100 0.203 0.000 0.763 354 P CB 0.539 32.309 31.700 0.118 0.000 0.776 355 G N 2.350 111.331 108.800 0.301 0.000 2.179 355 G HA2 -0.390 3.570 3.960 -0.000 0.000 0.260 355 G HA3 -0.390 3.570 3.960 -0.000 0.000 0.260 355 G C 0.806 175.845 174.900 0.232 0.000 0.977 355 G CA 0.404 45.663 45.100 0.266 0.000 0.641 355 G HN 0.534 nan 8.290 nan 0.000 0.533 356 Y N 0.374 120.730 120.300 0.094 0.000 2.206 356 Y HA 0.380 4.930 4.550 -0.000 0.000 0.292 356 Y C 2.174 177.963 175.900 -0.186 0.000 1.123 356 Y CA 1.866 59.907 58.100 -0.099 0.000 1.142 356 Y CB -0.147 38.174 38.460 -0.231 0.000 1.006 356 Y HN 0.172 nan 8.280 nan 0.000 0.518 357 F N -0.425 119.562 119.950 0.062 0.000 2.802 357 F HA 0.131 4.658 4.527 -0.000 0.000 0.300 357 F C -0.538 174.798 175.800 -0.774 0.000 1.168 357 F CA 0.272 57.997 58.000 -0.459 0.000 1.433 357 F CB -0.372 38.163 39.000 -0.776 0.000 1.115 357 F HN -0.163 nan 8.300 nan 0.000 0.582 358 F N -0.828 119.225 119.950 0.173 0.000 2.565 358 F HA 0.497 5.024 4.527 -0.000 0.000 0.313 358 F C 0.425 176.296 175.800 0.119 0.000 1.091 358 F CA -1.556 56.518 58.000 0.123 0.000 0.915 358 F CB 1.147 40.207 39.000 0.100 0.000 1.208 358 F HN -0.428 nan 8.300 nan 0.000 0.453 359 R N 0.828 121.442 120.500 0.189 0.000 2.582 359 R HA 0.434 4.774 4.340 -0.000 0.000 0.271 359 R C -1.184 175.156 176.300 0.067 0.000 1.078 359 R CA -0.479 55.717 56.100 0.159 0.000 1.127 359 R CB 0.512 30.861 30.300 0.081 0.000 1.038 359 R HN 0.616 nan 8.270 nan 0.000 0.500 360 H N -0.544 118.553 119.070 0.045 0.000 2.821 360 H HA 0.163 4.719 4.556 -0.000 0.000 0.373 360 H C -0.744 174.595 175.328 0.018 0.000 1.165 360 H CA -0.981 55.088 56.048 0.035 0.000 1.154 360 H CB 1.260 31.037 29.762 0.024 0.000 1.765 360 H HN 0.607 nan 8.280 nan 0.000 0.549 361 D N -0.043 120.427 120.400 0.117 0.000 2.423 361 D HA 0.029 4.669 4.640 -0.000 0.000 0.255 361 D C 0.561 176.900 176.300 0.065 0.000 1.174 361 D CA -0.616 53.424 54.000 0.066 0.000 1.008 361 D CB 0.680 41.501 40.800 0.035 0.000 1.101 361 D HN 0.586 nan 8.370 nan 0.000 0.516 362 E N -0.323 119.898 120.200 0.036 0.000 2.331 362 E HA -0.106 4.244 4.350 -0.000 0.000 0.199 362 E C 1.447 178.059 176.600 0.019 0.000 1.008 362 E CA 0.944 57.358 56.400 0.023 0.000 0.843 362 E CB -0.718 28.989 29.700 0.012 0.000 0.761 362 E HN 0.456 nan 8.360 nan 0.000 0.507 363 C N -0.335 118.981 119.300 0.025 0.000 2.594 363 C HA 0.418 4.878 4.460 -0.000 0.000 0.265 363 C C 1.722 176.727 174.990 0.026 0.000 1.351 363 C CA 0.395 59.424 59.018 0.018 0.000 1.744 363 C CB -1.119 26.630 27.740 0.015 0.000 1.890 363 C HN 0.682 nan 8.230 nan 0.000 0.551 364 G N 0.731 109.566 108.800 0.058 0.000 2.140 364 G HA2 -0.166 3.794 3.960 -0.000 0.000 0.211 364 G HA3 -0.166 3.794 3.960 -0.000 0.000 0.211 364 G C -0.442 174.566 174.900 0.179 0.000 1.013 364 G CA -0.095 45.052 45.100 0.079 0.000 0.705 364 G HN 0.445 nan 8.290 nan 0.000 0.508 365 K N 0.123 120.618 120.400 0.159 0.000 2.259 365 K HA 0.680 5.000 4.320 -0.000 0.000 0.249 365 K C -2.571 174.012 176.600 -0.029 0.000 0.942 365 K CA -2.379 53.965 56.287 0.095 0.000 0.816 365 K CB 1.739 34.255 32.500 0.027 0.000 1.155 365 K HN -0.059 nan 8.250 nan 0.000 0.428 366 P HA -0.005 nan 4.420 nan 0.000 0.264 366 P C -0.606 176.600 177.300 -0.156 0.000 1.193 366 P CA -0.045 62.834 63.100 -0.367 0.000 0.763 366 P CB 0.599 32.125 31.700 -0.290 0.000 0.810 367 S N 2.234 117.866 115.700 -0.114 0.000 2.608 367 S HA 0.235 4.705 4.470 -0.000 0.000 0.261 367 S C 0.367 174.958 174.600 -0.016 0.000 1.314 367 S CA -0.289 57.892 58.200 -0.032 0.000 0.992 367 S CB 0.336 63.539 63.200 0.004 0.000 0.935 367 S HN 0.430 nan 8.310 nan 0.000 0.564 368 N N -0.471 118.227 118.700 -0.004 0.000 2.646 368 N HA 0.309 5.049 4.740 -0.000 0.000 0.296 368 N C 0.859 176.372 175.510 0.006 0.000 1.886 368 N CA 0.120 53.168 53.050 -0.003 0.000 0.855 368 N CB 0.040 38.514 38.487 -0.022 0.000 1.336 368 N HN 0.722 nan 8.380 nan 0.000 0.496 369 G N -0.982 107.834 108.800 0.027 0.000 2.471 369 G HA2 -0.221 3.739 3.960 -0.000 0.000 0.219 369 G HA3 -0.221 3.739 3.960 -0.000 0.000 0.219 369 G C 1.352 176.275 174.900 0.038 0.000 1.125 369 G CA 1.473 46.594 45.100 0.035 0.000 0.775 369 G HN 0.498 nan 8.290 nan 0.000 0.548 370 T N -2.654 111.923 114.554 0.037 0.000 3.023 370 T HA 0.305 4.655 4.350 -0.000 0.000 0.266 370 T C 2.067 176.747 174.700 -0.034 0.000 1.093 370 T CA 1.104 63.217 62.100 0.021 0.000 1.129 370 T CB -0.115 68.762 68.868 0.016 0.000 0.899 370 T HN 1.289 nan 8.240 nan 0.000 0.491 371 G N 0.719 109.494 108.800 -0.041 0.000 2.159 371 G HA2 -0.273 3.687 3.960 -0.000 0.000 0.256 371 G HA3 -0.273 3.687 3.960 -0.000 0.000 0.256 371 G C 0.689 175.534 174.900 -0.091 0.000 0.977 371 G CA 0.519 45.583 45.100 -0.060 0.000 0.652 371 G HN 1.547 nan 8.290 nan 0.000 0.531 372 V N -3.644 116.193 119.914 -0.127 0.000 3.159 372 V HA 0.728 4.848 4.120 -0.000 0.000 0.333 372 V C 1.501 177.533 176.094 -0.103 0.000 1.424 372 V CA 1.140 63.348 62.300 -0.154 0.000 1.125 372 V CB -0.022 31.618 31.823 -0.306 0.000 1.075 372 V HN 2.070 nan 8.190 nan 0.000 0.482 373 G N 0.945 109.704 108.800 -0.069 0.000 2.391 373 G HA2 -0.170 3.790 3.960 -0.000 0.000 0.204 373 G HA3 -0.170 3.790 3.960 -0.000 0.000 0.204 373 G C -0.066 174.812 174.900 -0.036 0.000 1.012 373 G CA 0.143 45.211 45.100 -0.053 0.000 0.651 373 G HN 1.088 nan 8.290 nan 0.000 0.494 374 N N 0.426 119.147 118.700 0.034 0.000 2.598 374 N HA 0.508 5.248 4.740 -0.000 0.000 0.263 374 N C -2.651 173.018 175.510 0.265 0.000 1.254 374 N CA -0.625 52.496 53.050 0.117 0.000 0.863 374 N CB 1.913 40.439 38.487 0.064 0.000 1.586 374 N HN -0.054 nan 8.380 nan 0.000 0.491 375 D N 1.288 121.874 120.400 0.310 0.000 2.593 375 D HA 0.441 5.081 4.640 -0.000 0.000 0.251 375 D C 0.180 176.646 176.300 0.277 0.000 1.140 375 D CA -0.292 53.870 54.000 0.270 0.000 0.855 375 D CB 2.000 42.892 40.800 0.154 0.000 1.267 375 D HN 0.440 nan 8.370 nan 0.000 0.532 376 I N 1.338 122.031 120.570 0.206 0.000 2.648 376 I HA 0.100 4.270 4.170 -0.000 0.000 0.284 376 I C 0.904 176.999 176.117 -0.037 0.000 1.153 376 I CA -0.131 61.151 61.300 -0.030 0.000 1.426 376 I CB 0.748 38.750 38.000 0.004 0.000 1.381 376 I HN 0.376 nan 8.210 nan 0.000 0.571 377 A N 5.130 127.871 122.820 -0.131 0.000 3.004 377 A HA 0.206 4.526 4.320 -0.000 0.000 0.286 377 A C 1.448 178.954 177.584 -0.130 0.000 1.632 377 A CA -0.171 51.800 52.037 -0.111 0.000 1.339 377 A CB -0.355 18.552 19.000 -0.155 0.000 1.136 377 A HN 0.908 nan 8.150 nan 0.000 0.577 378 S N 1.281 116.937 115.700 -0.073 0.000 2.420 378 S HA -0.242 4.228 4.470 -0.000 0.000 0.237 378 S C 1.555 176.102 174.600 -0.088 0.000 1.023 378 S CA 1.403 59.564 58.200 -0.066 0.000 0.991 378 S CB -0.247 62.930 63.200 -0.039 0.000 0.792 378 S HN 0.818 nan 8.310 nan 0.000 0.488 379 E N 1.692 121.833 120.200 -0.098 0.000 2.409 379 E HA -0.099 4.251 4.350 -0.000 0.000 0.198 379 E C 0.332 176.851 176.600 -0.136 0.000 1.024 379 E CA 0.221 56.557 56.400 -0.107 0.000 0.861 379 E CB -0.357 29.290 29.700 -0.089 0.000 0.788 379 E HN 0.399 nan 8.360 nan 0.000 0.521 380 R N 1.502 121.888 120.500 -0.191 0.000 2.590 380 R HA 0.173 4.513 4.340 -0.000 0.000 0.274 380 R C 1.470 177.717 176.300 -0.089 0.000 1.061 380 R CA -0.057 55.898 56.100 -0.242 0.000 1.081 380 R CB 0.349 30.260 30.300 -0.649 0.000 0.984 380 R HN 0.195 nan 8.270 nan 0.000 0.448 381 R N 1.348 121.848 120.500 0.001 0.000 2.096 381 R HA -0.068 4.272 4.340 -0.000 0.000 0.235 381 R C 1.763 178.137 176.300 0.124 0.000 1.127 381 R CA 1.226 57.324 56.100 -0.002 0.000 0.968 381 R CB -0.001 30.270 30.300 -0.048 0.000 0.861 381 R HN 0.389 nan 8.270 nan 0.000 0.440 382 M N -0.318 119.375 119.600 0.155 0.000 2.419 382 M HA 0.071 4.551 4.480 -0.000 0.000 0.264 382 M C 2.196 178.664 176.300 0.280 0.000 1.082 382 M CA 0.779 56.114 55.300 0.057 0.000 1.119 382 M CB -0.572 31.731 32.600 -0.495 0.000 1.398 382 M HN 0.146 nan 8.290 nan 0.000 0.453 383 A N 0.335 123.306 122.820 0.251 0.000 1.897 383 A HA -0.142 4.178 4.320 -0.000 0.000 0.215 383 A C 2.358 180.040 177.584 0.163 0.000 1.181 383 A CA 1.499 53.678 52.037 0.236 0.000 0.620 383 A CB -0.597 18.431 19.000 0.046 0.000 0.821 383 A HN 0.459 nan 8.150 nan 0.000 0.443 384 R N 0.183 120.728 120.500 0.074 0.000 2.081 384 R HA -0.171 4.169 4.340 -0.000 0.000 0.235 384 R C 2.247 178.630 176.300 0.138 0.000 1.131 384 R CA 1.944 58.065 56.100 0.035 0.000 0.960 384 R CB -0.292 29.956 30.300 -0.087 0.000 0.856 384 R HN 0.524 nan 8.270 nan 0.000 0.436 385 K N -0.244 120.273 120.400 0.196 0.000 2.026 385 K HA -0.211 4.109 4.320 -0.000 0.000 0.208 385 K C 1.975 178.768 176.600 0.320 0.000 1.048 385 K CA 1.702 58.158 56.287 0.283 0.000 0.929 385 K CB -0.360 32.313 32.500 0.288 0.000 0.713 385 K HN 0.197 nan 8.250 nan 0.000 0.439 386 F N 1.907 121.987 119.950 0.218 0.000 2.095 386 F HA -0.190 4.337 4.527 -0.000 0.000 0.298 386 F C 1.907 177.749 175.800 0.070 0.000 1.104 386 F CA 1.621 59.763 58.000 0.236 0.000 1.232 386 F CB -0.156 38.964 39.000 0.200 0.000 0.987 386 F HN -0.013 nan 8.300 nan 0.000 0.475 387 I N 0.108 120.744 120.570 0.111 0.000 2.226 387 I HA -0.316 3.854 4.170 -0.000 0.000 0.245 387 I C 2.642 178.556 176.117 -0.338 0.000 1.100 387 I CA 1.225 62.299 61.300 -0.376 0.000 1.374 387 I CB -0.933 36.802 38.000 -0.442 0.000 1.057 387 I HN 0.266 nan 8.210 nan 0.000 0.413 388 A N 0.289 123.060 122.820 -0.082 0.000 1.929 388 A HA -0.200 4.120 4.320 -0.000 0.000 0.216 388 A C 1.939 179.524 177.584 0.001 0.000 1.176 388 A CA 1.745 53.758 52.037 -0.039 0.000 0.628 388 A CB -0.486 18.562 19.000 0.080 0.000 0.816 388 A HN 0.299 nan 8.150 nan 0.000 0.444 389 D N -0.781 119.671 120.400 0.087 0.000 2.144 389 D HA -0.133 4.507 4.640 -0.000 0.000 0.199 389 D C 1.937 178.358 176.300 0.202 0.000 0.984 389 D CA 1.234 55.361 54.000 0.211 0.000 0.834 389 D CB -0.603 40.433 40.800 0.392 0.000 0.955 389 D HN 0.423 nan 8.370 nan 0.000 0.465 390 C N -0.079 119.166 119.300 -0.092 0.000 2.453 390 C HA -0.062 4.398 4.460 -0.000 0.000 0.277 390 C C 2.807 177.837 174.990 0.068 0.000 1.262 390 C CA 0.369 59.149 59.018 -0.397 0.000 1.718 390 C CB -0.856 26.529 27.740 -0.592 0.000 2.031 390 C HN 0.109 nan 8.230 nan 0.000 0.480 391 V N 0.635 120.520 119.914 -0.047 0.000 2.343 391 V HA -0.170 3.950 4.120 -0.000 0.000 0.247 391 V C 2.468 178.644 176.094 0.137 0.000 1.051 391 V CA 2.281 64.514 62.300 -0.113 0.000 1.036 391 V CB -0.614 31.009 31.823 -0.332 0.000 0.654 391 V HN 0.512 nan 8.190 nan 0.000 0.451 392 V N -0.978 119.012 119.914 0.127 0.000 2.427 392 V HA -0.257 3.862 4.120 -0.000 0.000 0.248 392 V C 2.175 178.405 176.094 0.228 0.000 1.051 392 V CA 2.169 64.568 62.300 0.164 0.000 1.048 392 V CB -0.808 31.084 31.823 0.116 0.000 0.666 392 V HN 0.668 nan 8.190 nan 0.000 0.456 393 Y N -0.075 120.311 120.300 0.144 0.000 2.145 393 Y HA -0.250 4.300 4.550 -0.000 0.000 0.286 393 Y C 2.132 178.095 175.900 0.106 0.000 1.145 393 Y CA 1.512 59.677 58.100 0.109 0.000 1.148 393 Y CB -0.512 38.013 38.460 0.109 0.000 0.981 393 Y HN 0.283 nan 8.280 nan 0.000 0.507 394 W N 0.273 121.626 121.300 0.087 0.000 2.363 394 W HA -0.164 4.495 4.660 -0.000 0.000 0.296 394 W C 2.333 178.899 176.519 0.078 0.000 1.212 394 W CA 1.451 58.847 57.345 0.085 0.000 1.260 394 W CB -0.591 29.000 29.460 0.219 0.000 1.131 394 W HN 0.090 nan 8.180 nan 0.000 0.530 395 L N -0.208 121.213 121.223 0.331 0.000 2.027 395 L HA -0.192 4.148 4.340 -0.000 0.000 0.206 395 L C 2.324 179.187 176.870 -0.010 0.000 1.074 395 L CA 1.513 56.448 54.840 0.158 0.000 0.745 395 L CB -0.698 41.483 42.059 0.203 0.000 0.898 395 L HN 0.010 nan 8.230 nan 0.000 0.433 396 E N -0.432 119.761 120.200 -0.012 0.000 2.072 396 E HA -0.246 4.104 4.350 -0.000 0.000 0.190 396 E C 1.955 178.481 176.600 -0.123 0.000 0.982 396 E CA 1.170 57.535 56.400 -0.059 0.000 0.803 396 E CB 0.125 29.831 29.700 0.010 0.000 0.755 396 E HN 0.397 nan 8.360 nan 0.000 0.453 397 E N -0.756 119.291 120.200 -0.254 0.000 2.276 397 E HA -0.054 4.296 4.350 -0.000 0.000 0.193 397 E C 0.808 177.204 176.600 -0.340 0.000 0.983 397 E CA 0.473 56.663 56.400 -0.350 0.000 0.861 397 E CB 0.290 29.538 29.700 -0.755 0.000 0.817 397 E HN 0.238 nan 8.360 nan 0.000 0.485 398 Y N -0.425 119.782 120.300 -0.155 0.000 2.445 398 Y HA 0.253 4.803 4.550 -0.000 0.000 0.247 398 Y C 0.375 176.028 175.900 -0.412 0.000 1.129 398 Y CA -0.034 58.056 58.100 -0.017 0.000 1.251 398 Y CB 0.588 39.118 38.460 0.117 0.000 1.176 398 Y HN -0.048 nan 8.280 nan 0.000 0.522 399 N N 0.727 119.156 118.700 -0.452 0.000 2.725 399 N HA -0.164 4.576 4.740 -0.000 0.000 0.251 399 N C -0.424 174.915 175.510 -0.284 0.000 1.031 399 N CA 0.701 53.380 53.050 -0.620 0.000 0.720 399 N CB -1.162 36.398 38.487 -1.547 0.000 0.930 399 N HN 0.214 nan 8.380 nan 0.000 0.543 400 V N -3.081 116.741 119.914 -0.154 0.000 3.441 400 V HA 0.477 4.597 4.120 -0.000 0.000 0.300 400 V C 1.081 177.070 176.094 -0.176 0.000 1.062 400 V CA 0.252 62.456 62.300 -0.161 0.000 1.064 400 V CB 1.225 32.890 31.823 -0.264 0.000 1.197 400 V HN 0.205 nan 8.190 nan 0.000 0.451 401 D N 0.132 120.410 120.400 -0.204 0.000 2.513 401 D HA 0.463 5.103 4.640 -0.000 0.000 0.222 401 D C 0.493 176.690 176.300 -0.173 0.000 1.210 401 D CA 0.970 54.882 54.000 -0.147 0.000 0.825 401 D CB 1.163 41.911 40.800 -0.087 0.000 1.037 401 D HN 1.092 nan 8.370 nan 0.000 0.506 402 G N 0.374 108.916 108.800 -0.429 0.000 2.321 402 G HA2 0.362 4.322 3.960 -0.000 0.000 0.298 402 G HA3 0.362 4.322 3.960 -0.000 0.000 0.298 402 G C -2.008 172.423 174.900 -0.783 0.000 1.385 402 G CA -0.979 43.897 45.100 -0.373 0.000 0.856 402 G HN -0.006 nan 8.290 nan 0.000 0.584 403 F N -0.277 119.496 119.950 -0.296 0.000 2.601 403 F HA 0.753 5.280 4.527 -0.000 0.000 0.309 403 F C 0.226 175.502 175.800 -0.873 0.000 1.089 403 F CA -0.975 56.684 58.000 -0.568 0.000 0.940 403 F CB 2.585 41.141 39.000 -0.741 0.000 1.273 403 F HN 0.410 nan 8.300 nan 0.000 0.450 404 R N 2.923 123.021 120.500 -0.670 0.000 2.310 404 R HA 0.371 4.711 4.340 -0.000 0.000 0.316 404 R C -1.810 174.211 176.300 -0.465 0.000 1.004 404 R CA -0.497 55.150 56.100 -0.755 0.000 0.900 404 R CB 0.156 30.204 30.300 -0.420 0.000 1.152 404 R HN 0.577 nan 8.270 nan 0.000 0.513 405 F N 2.701 122.516 119.950 -0.226 0.000 2.466 405 F HA 0.067 4.594 4.527 -0.000 0.000 0.363 405 F C 1.050 176.828 175.800 -0.038 0.000 1.109 405 F CA -0.099 57.851 58.000 -0.084 0.000 1.161 405 F CB 0.443 39.407 39.000 -0.060 0.000 1.117 405 F HN 0.439 nan 8.300 nan 0.000 0.539 406 D N 4.106 124.578 120.400 0.120 0.000 2.425 406 D HA 0.114 4.754 4.640 -0.000 0.000 0.247 406 D C 0.454 176.831 176.300 0.129 0.000 1.147 406 D CA 0.188 54.256 54.000 0.112 0.000 0.879 406 D CB 0.475 41.361 40.800 0.144 0.000 1.179 406 D HN 0.582 nan 8.370 nan 0.000 0.456 407 L N 3.785 125.046 121.223 0.063 0.000 3.762 407 L HA -0.253 4.087 4.340 -0.000 0.000 0.460 407 L C 1.427 178.340 176.870 0.072 0.000 1.255 407 L CA -0.204 54.671 54.840 0.058 0.000 0.783 407 L CB -1.035 41.102 42.059 0.130 0.000 1.600 407 L HN 0.744 nan 8.230 nan 0.000 0.862 408 L N 0.453 121.697 121.223 0.036 0.000 2.137 408 L HA -0.198 4.142 4.340 -0.000 0.000 0.213 408 L C 2.288 179.187 176.870 0.048 0.000 1.085 408 L CA 2.154 57.018 54.840 0.041 0.000 0.760 408 L CB -0.174 41.885 42.059 -0.001 0.000 0.893 408 L HN 0.700 nan 8.230 nan 0.000 0.434 409 G N -0.328 108.501 108.800 0.049 0.000 2.501 409 G HA2 -0.233 3.727 3.960 -0.000 0.000 0.220 409 G HA3 -0.233 3.727 3.960 -0.000 0.000 0.220 409 G C 1.389 176.338 174.900 0.080 0.000 1.114 409 G CA 0.342 45.490 45.100 0.079 0.000 0.757 409 G HN 0.327 nan 8.290 nan 0.000 0.559 410 I N 0.026 120.648 120.570 0.086 0.000 2.716 410 I HA 0.149 4.319 4.170 -0.000 0.000 0.259 410 I C 0.874 177.030 176.117 0.065 0.000 1.172 410 I CA 0.087 61.440 61.300 0.089 0.000 1.478 410 I CB -0.708 37.365 38.000 0.121 0.000 1.104 410 I HN -0.005 nan 8.210 nan 0.000 0.439 411 L N 1.780 123.034 121.223 0.051 0.000 2.453 411 L HA 0.094 4.434 4.340 -0.000 0.000 0.261 411 L C 0.656 177.521 176.870 -0.009 0.000 1.179 411 L CA 0.054 54.901 54.840 0.012 0.000 0.813 411 L CB 0.035 42.079 42.059 -0.026 0.000 1.110 411 L HN 0.207 nan 8.230 nan 0.000 0.466 412 D N 1.072 121.455 120.400 -0.030 0.000 2.225 412 D HA 0.144 4.784 4.640 -0.000 0.000 0.249 412 D C 1.159 177.432 176.300 -0.045 0.000 1.052 412 D CA -0.463 53.517 54.000 -0.035 0.000 0.909 412 D CB 1.366 42.138 40.800 -0.045 0.000 1.186 412 D HN 0.412 nan 8.370 nan 0.000 0.431 413 I N 0.614 121.163 120.570 -0.034 0.000 2.208 413 I HA -0.296 3.874 4.170 -0.000 0.000 0.245 413 I C 1.609 177.706 176.117 -0.034 0.000 1.097 413 I CA 1.287 62.569 61.300 -0.029 0.000 1.363 413 I CB -0.197 37.792 38.000 -0.018 0.000 1.051 413 I HN 0.380 nan 8.210 nan 0.000 0.413 414 D N 0.391 120.766 120.400 -0.040 0.000 2.117 414 D HA -0.147 4.493 4.640 -0.000 0.000 0.197 414 D C 2.213 178.500 176.300 -0.022 0.000 0.987 414 D CA 1.476 55.454 54.000 -0.037 0.000 0.829 414 D CB -0.316 40.444 40.800 -0.066 0.000 0.961 414 D HN 0.243 nan 8.370 nan 0.000 0.460 415 T N 0.142 114.669 114.554 -0.046 0.000 2.777 415 T HA -0.078 4.272 4.350 -0.000 0.000 0.266 415 T C 2.187 176.872 174.700 -0.024 0.000 1.040 415 T CA 0.656 62.739 62.100 -0.028 0.000 1.141 415 T CB -0.185 68.644 68.868 -0.066 0.000 0.868 415 T HN -0.029 nan 8.240 nan 0.000 0.444 416 V N 1.512 121.372 119.914 -0.089 0.000 2.358 416 V HA -0.083 4.037 4.120 -0.000 0.000 0.246 416 V C 2.434 178.471 176.094 -0.096 0.000 1.047 416 V CA 1.420 63.622 62.300 -0.164 0.000 1.035 416 V CB -0.611 31.098 31.823 -0.190 0.000 0.658 416 V HN 0.447 nan 8.190 nan 0.000 0.452 417 L N -1.452 119.752 121.223 -0.031 0.000 2.156 417 L HA -0.166 4.174 4.340 -0.000 0.000 0.208 417 L C 2.424 179.312 176.870 0.030 0.000 1.095 417 L CA 1.715 56.552 54.840 -0.004 0.000 0.770 417 L CB -0.606 41.460 42.059 0.011 0.000 0.914 417 L HN 0.405 nan 8.230 nan 0.000 0.439 418 Y N 1.522 121.778 120.300 -0.074 0.000 2.200 418 Y HA -0.325 4.225 4.550 -0.000 0.000 0.290 418 Y C 2.712 178.576 175.900 -0.060 0.000 1.137 418 Y CA 1.953 60.016 58.100 -0.063 0.000 1.163 418 Y CB 0.014 38.433 38.460 -0.068 0.000 0.988 418 Y HN 0.244 nan 8.280 nan 0.000 0.518 419 M N 0.390 119.939 119.600 -0.085 0.000 2.254 419 M HA -0.015 4.465 4.480 -0.000 0.000 0.265 419 M C 1.919 178.136 176.300 -0.138 0.000 1.066 419 M CA 1.775 56.974 55.300 -0.169 0.000 1.123 419 M CB -0.639 31.884 32.600 -0.127 0.000 1.388 419 M HN 0.030 nan 8.290 nan 0.000 0.425 420 K N 0.581 120.921 120.400 -0.101 0.000 2.057 420 K HA -0.236 4.084 4.320 -0.000 0.000 0.207 420 K C 2.166 178.731 176.600 -0.059 0.000 1.049 420 K CA 1.989 58.243 56.287 -0.056 0.000 0.931 420 K CB -0.293 32.179 32.500 -0.046 0.000 0.714 420 K HN 0.694 nan 8.250 nan 0.000 0.440 421 E N 0.770 120.913 120.200 -0.095 0.000 2.038 421 E HA -0.234 4.116 4.350 -0.000 0.000 0.195 421 E C 1.755 178.288 176.600 -0.113 0.000 1.000 421 E CA 1.634 57.975 56.400 -0.098 0.000 0.803 421 E CB 0.112 29.737 29.700 -0.126 0.000 0.750 421 E HN 0.272 nan 8.360 nan 0.000 0.448 422 K N -0.253 120.036 120.400 -0.185 0.000 2.155 422 K HA -0.056 4.264 4.320 -0.000 0.000 0.203 422 K C 2.086 178.651 176.600 -0.058 0.000 1.052 422 K CA 0.824 57.022 56.287 -0.148 0.000 0.948 422 K CB -0.011 32.352 32.500 -0.229 0.000 0.728 422 K HN 0.122 nan 8.250 nan 0.000 0.448 423 A N 1.410 124.211 122.820 -0.032 0.000 1.897 423 A HA -0.126 4.194 4.320 -0.000 0.000 0.215 423 A C 2.281 179.897 177.584 0.053 0.000 1.181 423 A CA 1.955 54.019 52.037 0.045 0.000 0.620 423 A CB -0.954 18.102 19.000 0.093 0.000 0.821 423 A HN 0.428 nan 8.150 nan 0.000 0.443 424 T N -1.941 112.632 114.554 0.031 0.000 2.962 424 T HA -0.079 4.271 4.350 -0.000 0.000 0.270 424 T C 1.740 176.450 174.700 0.016 0.000 1.088 424 T CA 1.553 63.671 62.100 0.031 0.000 1.127 424 T CB -0.161 68.720 68.868 0.022 0.000 0.883 424 T HN 0.526 nan 8.240 nan 0.000 0.493 425 K N 1.186 121.587 120.400 0.002 0.000 2.167 425 K HA 0.270 4.590 4.320 -0.000 0.000 0.203 425 K C 2.487 179.089 176.600 0.004 0.000 1.052 425 K CA 0.790 57.075 56.287 -0.003 0.000 0.956 425 K CB -0.407 32.082 32.500 -0.017 0.000 0.735 425 K HN 0.370 nan 8.250 nan 0.000 0.451 426 A N 0.447 123.274 122.820 0.011 0.000 2.016 426 A HA 0.030 4.350 4.320 -0.000 0.000 0.217 426 A C 0.718 178.310 177.584 0.013 0.000 1.162 426 A CA 0.890 52.937 52.037 0.017 0.000 0.662 426 A CB 0.238 19.258 19.000 0.033 0.000 0.812 426 A HN 0.033 nan 8.150 nan 0.000 0.450 427 K N 0.122 120.535 120.400 0.022 0.000 2.832 427 K HA 0.300 4.620 4.320 -0.000 0.000 0.243 427 K C -3.287 173.328 176.600 0.025 0.000 1.117 427 K CA -1.912 54.383 56.287 0.013 0.000 1.068 427 K CB 1.312 33.820 32.500 0.014 0.000 1.286 427 K HN 0.015 nan 8.250 nan 0.000 0.553 428 P HA 0.055 nan 4.420 nan 0.000 0.264 428 P C 0.744 178.073 177.300 0.048 0.000 1.193 428 P CA 0.982 64.099 63.100 0.029 0.000 0.763 428 P CB 0.663 32.374 31.700 0.019 0.000 0.810 429 G N 2.559 111.398 108.800 0.064 0.000 2.175 429 G HA2 -0.241 3.719 3.960 -0.000 0.000 0.244 429 G HA3 -0.241 3.719 3.960 -0.000 0.000 0.244 429 G C 0.341 175.313 174.900 0.120 0.000 0.982 429 G CA 0.105 45.270 45.100 0.108 0.000 0.641 429 G HN 0.681 nan 8.290 nan 0.000 0.527 430 I N -0.499 120.118 120.570 0.080 0.000 2.993 430 I HA 0.532 4.702 4.170 -0.000 0.000 0.286 430 I C 0.693 176.847 176.117 0.062 0.000 1.215 430 I CA -0.463 60.873 61.300 0.061 0.000 1.393 430 I CB 0.403 38.440 38.000 0.063 0.000 1.371 430 I HN 0.016 nan 8.210 nan 0.000 0.602 431 L N 5.155 126.400 121.223 0.037 0.000 2.289 431 L HA 0.525 4.865 4.340 -0.000 0.000 0.285 431 L C -0.520 176.440 176.870 0.150 0.000 1.049 431 L CA -0.540 54.344 54.840 0.073 0.000 0.804 431 L CB 1.336 43.412 42.059 0.028 0.000 1.195 431 L HN 0.561 nan 8.230 nan 0.000 0.428 432 L N 5.270 126.610 121.223 0.195 0.000 2.406 432 L HA 0.577 4.917 4.340 -0.000 0.000 0.270 432 L C -0.820 176.145 176.870 0.157 0.000 0.982 432 L CA -0.397 54.548 54.840 0.176 0.000 0.843 432 L CB 1.255 43.421 42.059 0.179 0.000 1.225 432 L HN 0.501 nan 8.230 nan 0.000 0.412 433 F N 0.763 120.695 119.950 -0.029 0.000 2.831 433 F HA 1.008 5.535 4.527 -0.000 0.000 0.318 433 F C -0.103 175.600 175.800 -0.161 0.000 1.174 433 F CA -0.819 57.027 58.000 -0.256 0.000 0.918 433 F CB 1.599 40.360 39.000 -0.399 0.000 1.364 433 F HN 0.459 nan 8.300 nan 0.000 0.475 434 G N -0.245 108.455 108.800 -0.167 0.000 2.430 434 G HA2 0.458 4.417 3.960 -0.000 0.000 0.300 434 G HA3 0.458 4.417 3.960 -0.000 0.000 0.300 434 G C -2.359 172.532 174.900 -0.016 0.000 1.330 434 G CA -0.774 44.296 45.100 -0.051 0.000 0.813 434 G HN 0.994 nan 8.290 nan 0.000 0.487 435 E N -0.208 119.964 120.200 -0.047 0.000 2.089 435 E HA 0.489 4.839 4.350 -0.000 0.000 0.284 435 E C 0.448 176.671 176.600 -0.629 0.000 1.023 435 E CA -0.551 55.484 56.400 -0.607 0.000 0.819 435 E CB 1.397 30.515 29.700 -0.971 0.000 1.076 435 E HN 0.720 nan 8.360 nan 0.000 0.396 436 G N 4.684 113.280 108.800 -0.341 0.000 3.943 436 G HA2 0.123 4.083 3.960 -0.000 0.000 0.275 436 G HA3 0.123 4.083 3.960 -0.000 0.000 0.275 436 G C -0.553 174.378 174.900 0.053 0.000 1.234 436 G CA -0.799 44.307 45.100 0.009 0.000 1.522 436 G HN 0.539 nan 8.290 nan 0.000 0.636 437 W N 0.313 121.704 121.300 0.153 0.000 2.150 437 W HA 0.281 4.941 4.660 -0.000 0.000 0.341 437 W C -0.216 176.340 176.519 0.062 0.000 1.276 437 W CA -1.289 56.110 57.345 0.089 0.000 1.238 437 W CB 0.964 30.463 29.460 0.066 0.000 1.128 437 W HN 0.107 nan 8.180 nan 0.000 0.581 438 D N 2.465 123.037 120.400 0.287 0.000 2.325 438 D HA 0.332 4.972 4.640 -0.000 0.000 0.251 438 D C -0.370 176.013 176.300 0.137 0.000 1.196 438 D CA 0.156 54.252 54.000 0.160 0.000 0.866 438 D CB 0.586 41.449 40.800 0.105 0.000 1.101 438 D HN 0.087 nan 8.370 nan 0.000 0.476 439 L N 0.755 122.049 121.223 0.119 0.000 2.341 439 L HA 0.612 4.952 4.340 -0.000 0.000 0.267 439 L C 0.335 177.243 176.870 0.063 0.000 1.009 439 L CA -1.421 53.473 54.840 0.091 0.000 0.819 439 L CB 1.789 43.916 42.059 0.112 0.000 1.323 439 L HN 0.257 nan 8.230 nan 0.000 0.425 440 A N 1.168 124.013 122.820 0.042 0.000 2.915 440 A HA 0.462 4.781 4.320 -0.000 0.000 0.292 440 A C 0.026 177.631 177.584 0.036 0.000 1.632 440 A CA 0.076 52.133 52.037 0.032 0.000 1.337 440 A CB -0.477 18.532 19.000 0.015 0.000 1.111 440 A HN 0.590 nan 8.150 nan 0.000 0.569 441 T N 2.871 117.452 114.554 0.045 0.000 2.876 441 T HA 0.574 4.924 4.350 -0.000 0.000 0.289 441 T C -2.822 171.902 174.700 0.040 0.000 1.014 441 T CA -1.678 60.449 62.100 0.045 0.000 0.986 441 T CB 1.423 70.325 68.868 0.056 0.000 1.021 441 T HN 0.319 nan 8.240 nan 0.000 0.458 442 P HA 0.253 nan 4.420 nan 0.000 0.245 442 P C -1.058 176.257 177.300 0.025 0.000 1.670 442 P CA 0.171 63.291 63.100 0.032 0.000 1.146 442 P CB -0.436 31.286 31.700 0.036 0.000 1.954 443 L N 3.204 124.443 121.223 0.026 0.000 2.466 443 L HA 0.450 4.790 4.340 -0.000 0.000 0.258 443 L C -2.500 174.381 176.870 0.018 0.000 0.973 443 L CA -2.577 52.270 54.840 0.013 0.000 0.826 443 L CB 2.922 44.986 42.059 0.008 0.000 1.372 443 L HN -0.067 nan 8.230 nan 0.000 0.409 444 P HA 0.047 nan 4.420 nan 0.000 0.268 444 P C 0.113 177.394 177.300 -0.032 0.000 1.205 444 P CA -0.060 63.036 63.100 -0.007 0.000 0.771 444 P CB 0.445 32.113 31.700 -0.054 0.000 0.858 445 H N 1.785 120.858 119.070 0.006 0.000 2.394 445 H HA -0.221 4.335 4.556 -0.000 0.000 0.297 445 H C 0.777 176.108 175.328 0.005 0.000 1.113 445 H CA 2.060 58.112 56.048 0.008 0.000 1.277 445 H CB -0.527 29.239 29.762 0.007 0.000 1.370 445 H HN 0.438 nan 8.280 nan 0.000 0.506 446 E N 0.382 120.112 120.200 -0.783 0.000 2.511 446 E HA -0.031 4.319 4.350 -0.000 0.000 0.196 446 E C 1.569 178.054 176.600 -0.192 0.000 1.066 446 E CA 0.647 56.775 56.400 -0.453 0.000 0.871 446 E CB 0.084 29.500 29.700 -0.473 0.000 0.863 446 E HN 0.699 nan 8.360 nan 0.000 0.520 447 Q N 0.338 120.051 119.800 -0.144 0.000 2.319 447 Q HA 0.138 4.478 4.340 -0.000 0.000 0.209 447 Q C -0.117 175.860 176.000 -0.038 0.000 0.884 447 Q CA 0.016 55.772 55.803 -0.077 0.000 0.938 447 Q CB 0.488 29.184 28.738 -0.070 0.000 1.098 447 Q HN 0.122 nan 8.270 nan 0.000 0.517 448 K N 0.571 120.960 120.400 -0.019 0.000 2.218 448 K HA 0.322 4.642 4.320 -0.000 0.000 0.276 448 K C -0.208 176.408 176.600 0.027 0.000 1.022 448 K CA -0.219 56.078 56.287 0.015 0.000 0.946 448 K CB 1.021 33.547 32.500 0.042 0.000 1.000 448 K HN -0.041 nan 8.250 nan 0.000 0.468 449 A N 2.330 125.176 122.820 0.043 0.000 3.117 449 A HA 0.299 4.619 4.320 -0.000 0.000 0.255 449 A C 0.223 177.904 177.584 0.161 0.000 1.583 449 A CA -0.248 51.840 52.037 0.086 0.000 1.234 449 A CB -0.597 18.428 19.000 0.042 0.000 1.076 449 A HN 0.700 nan 8.150 nan 0.000 0.653 450 A N -0.366 122.503 122.820 0.082 0.000 2.252 450 A HA 0.600 4.920 4.320 -0.000 0.000 0.305 450 A C 1.239 178.696 177.584 -0.210 0.000 1.097 450 A CA -0.543 51.515 52.037 0.035 0.000 0.849 450 A CB 0.332 19.360 19.000 0.047 0.000 1.142 450 A HN 0.590 nan 8.150 nan 0.000 0.499 451 L N 0.310 121.330 121.223 -0.337 0.000 2.081 451 L HA -0.237 4.103 4.340 -0.000 0.000 0.212 451 L C 2.706 179.333 176.870 -0.405 0.000 1.080 451 L CA 1.917 56.351 54.840 -0.678 0.000 0.754 451 L CB -0.379 41.513 42.059 -0.279 0.000 0.893 451 L HN 0.875 nan 8.230 nan 0.000 0.433 452 A N -0.384 122.335 122.820 -0.167 0.000 2.024 452 A HA -0.191 4.129 4.320 -0.000 0.000 0.220 452 A C 1.533 179.072 177.584 -0.075 0.000 1.164 452 A CA 1.686 53.677 52.037 -0.077 0.000 0.643 452 A CB -0.413 18.588 19.000 0.002 0.000 0.806 452 A HN 0.566 nan 8.150 nan 0.000 0.451 453 N N -0.325 118.314 118.700 -0.103 0.000 2.251 453 N HA 0.271 5.011 4.740 -0.000 0.000 0.217 453 N C 1.354 176.827 175.510 -0.063 0.000 1.124 453 N CA 0.706 53.724 53.050 -0.054 0.000 0.843 453 N CB 0.196 38.672 38.487 -0.018 0.000 1.024 453 N HN 0.427 nan 8.380 nan 0.000 0.501 454 A N 2.065 124.781 122.820 -0.172 0.000 1.958 454 A HA -0.115 4.205 4.320 -0.000 0.000 0.221 454 A C -0.277 177.333 177.584 0.042 0.000 1.178 454 A CA 1.406 53.392 52.037 -0.085 0.000 0.642 454 A CB -1.240 17.642 19.000 -0.196 0.000 0.816 454 A HN 0.168 nan 8.150 nan 0.000 0.453 455 P HA -0.135 nan 4.420 nan 0.000 0.218 455 P C 1.201 178.525 177.300 0.039 0.000 1.148 455 P CA 1.131 64.251 63.100 0.033 0.000 0.822 455 P CB -0.061 31.652 31.700 0.021 0.000 0.784 456 R N -1.648 118.873 120.500 0.035 0.000 2.320 456 R HA 0.261 4.601 4.340 -0.000 0.000 0.211 456 R C 0.760 177.088 176.300 0.047 0.000 0.931 456 R CA 0.312 56.431 56.100 0.032 0.000 1.071 456 R CB -0.136 30.173 30.300 0.015 0.000 1.025 456 R HN 0.253 nan 8.270 nan 0.000 0.495 457 M N 1.572 121.221 119.600 0.081 0.000 3.062 457 M HA 0.237 4.717 4.480 -0.000 0.000 0.270 457 M C -2.437 173.921 176.300 0.097 0.000 1.270 457 M CA -1.760 53.598 55.300 0.096 0.000 0.702 457 M CB 1.754 34.454 32.600 0.167 0.000 1.398 457 M HN -0.245 nan 8.290 nan 0.000 0.490 458 P HA 0.099 nan 4.420 nan 0.000 0.268 458 P C 0.871 178.194 177.300 0.039 0.000 1.205 458 P CA 1.146 64.281 63.100 0.060 0.000 0.771 458 P CB 0.958 32.686 31.700 0.047 0.000 0.858 459 G N 2.059 110.877 108.800 0.031 0.000 2.175 459 G HA2 -0.167 3.793 3.960 -0.000 0.000 0.244 459 G HA3 -0.167 3.793 3.960 -0.000 0.000 0.244 459 G C -0.026 174.869 174.900 -0.007 0.000 0.982 459 G CA -0.343 44.762 45.100 0.009 0.000 0.641 459 G HN 0.496 nan 8.290 nan 0.000 0.527 460 I N 1.424 121.986 120.570 -0.013 0.000 2.433 460 I HA 0.643 4.813 4.170 -0.000 0.000 0.292 460 I C 0.914 176.910 176.117 -0.201 0.000 1.001 460 I CA -0.400 60.831 61.300 -0.115 0.000 1.119 460 I CB 1.083 38.990 38.000 -0.156 0.000 1.289 460 I HN 0.153 nan 8.210 nan 0.000 0.438 461 G N 4.866 113.490 108.800 -0.294 0.000 2.461 461 G HA2 0.754 4.714 3.960 -0.000 0.000 0.329 461 G HA3 0.754 4.714 3.960 -0.000 0.000 0.329 461 G C -1.479 172.997 174.900 -0.707 0.000 1.170 461 G CA -0.266 44.655 45.100 -0.298 0.000 0.935 461 G HN 0.309 nan 8.290 nan 0.000 0.492 462 F N -1.178 118.718 119.950 -0.091 0.000 2.578 462 F HA 0.449 4.976 4.527 -0.000 0.000 0.311 462 F C -0.499 175.201 175.800 -0.165 0.000 1.094 462 F CA -0.843 57.088 58.000 -0.114 0.000 0.923 462 F CB 1.975 40.953 39.000 -0.037 0.000 1.230 462 F HN 0.284 nan 8.300 nan 0.000 0.450 463 F N 2.064 122.034 119.950 0.033 0.000 2.578 463 F HA 0.076 4.603 4.527 -0.000 0.000 0.381 463 F C 1.040 177.014 175.800 0.290 0.000 1.069 463 F CA 0.001 57.995 58.000 -0.010 0.000 1.231 463 F CB 0.251 39.152 39.000 -0.165 0.000 1.086 463 F HN 0.353 nan 8.300 nan 0.000 0.564 464 N N 4.142 123.157 118.700 0.525 0.000 2.663 464 N HA -0.017 4.723 4.740 -0.000 0.000 0.250 464 N C 0.534 176.346 175.510 0.504 0.000 1.129 464 N CA -0.203 53.123 53.050 0.459 0.000 0.995 464 N CB 0.162 38.868 38.487 0.365 0.000 1.324 464 N HN 0.535 nan 8.380 nan 0.000 0.512 465 D N 2.771 123.474 120.400 0.506 0.000 2.347 465 D HA -0.153 4.487 4.640 -0.000 0.000 0.215 465 D C 1.621 178.027 176.300 0.178 0.000 0.976 465 D CA 0.239 54.426 54.000 0.313 0.000 0.884 465 D CB 0.076 41.025 40.800 0.248 0.000 0.915 465 D HN 0.335 nan 8.370 nan 0.000 0.526 466 M N 0.163 119.888 119.600 0.208 0.000 2.077 466 M HA -0.050 4.430 4.480 -0.000 0.000 0.261 466 M C 1.878 178.296 176.300 0.197 0.000 1.070 466 M CA 1.120 56.514 55.300 0.157 0.000 1.125 466 M CB -0.969 31.704 32.600 0.121 0.000 1.339 466 M HN 0.106 nan 8.290 nan 0.000 0.409 467 F N 0.663 120.624 119.950 0.018 0.000 2.134 467 F HA -0.292 4.235 4.527 -0.000 0.000 0.299 467 F C 2.648 178.431 175.800 -0.028 0.000 1.097 467 F CA 1.141 59.135 58.000 -0.010 0.000 1.264 467 F CB -0.254 38.744 39.000 -0.002 0.000 1.001 467 F HN 0.244 nan 8.300 nan 0.000 0.479 468 R N 0.755 121.268 120.500 0.021 0.000 2.097 468 R HA -0.226 4.114 4.340 -0.000 0.000 0.236 468 R C 1.680 177.912 176.300 -0.114 0.000 1.135 468 R CA 2.460 58.420 56.100 -0.232 0.000 0.934 468 R CB -0.599 29.434 30.300 -0.445 0.000 0.846 468 R HN 0.221 nan 8.270 nan 0.000 0.431 469 D N 0.068 120.439 120.400 -0.049 0.000 2.178 469 D HA -0.092 4.548 4.640 -0.000 0.000 0.201 469 D C 1.693 178.016 176.300 0.039 0.000 0.980 469 D CA 1.351 55.333 54.000 -0.031 0.000 0.842 469 D CB -0.229 40.563 40.800 -0.013 0.000 0.948 469 D HN 0.425 nan 8.370 nan 0.000 0.472 470 A N 0.330 123.212 122.820 0.103 0.000 1.933 470 A HA -0.120 4.200 4.320 -0.000 0.000 0.218 470 A C 2.437 180.124 177.584 0.172 0.000 1.175 470 A CA 1.185 53.310 52.037 0.147 0.000 0.628 470 A CB -0.495 18.623 19.000 0.198 0.000 0.814 470 A HN 0.161 nan 8.150 nan 0.000 0.444 471 V N -0.210 119.792 119.914 0.146 0.000 2.379 471 V HA -0.132 3.988 4.120 -0.000 0.000 0.243 471 V C 2.481 178.679 176.094 0.173 0.000 1.035 471 V CA 2.166 64.561 62.300 0.157 0.000 1.035 471 V CB -0.482 31.345 31.823 0.008 0.000 0.673 471 V HN 0.693 nan 8.190 nan 0.000 0.457 472 K N -0.058 120.410 120.400 0.112 0.000 2.128 472 K HA 0.308 4.628 4.320 -0.000 0.000 0.202 472 K C 0.770 177.326 176.600 -0.073 0.000 1.050 472 K CA 1.193 57.505 56.287 0.042 0.000 0.966 472 K CB 0.463 32.943 32.500 -0.033 0.000 0.759 472 K HN 0.552 nan 8.250 nan 0.000 0.454 473 G N 1.020 109.789 108.800 -0.051 0.000 2.465 473 G HA2 -0.157 3.803 3.960 -0.000 0.000 0.681 473 G HA3 -0.157 3.803 3.960 -0.000 0.000 0.681 473 G C -1.430 173.416 174.900 -0.090 0.000 1.340 473 G CA -0.640 44.429 45.100 -0.052 0.000 0.884 473 G HN 0.313 nan 8.290 nan 0.000 0.650 474 N N 0.086 118.759 118.700 -0.045 0.000 2.217 474 N HA 0.018 4.758 4.740 -0.000 0.000 0.268 474 N C 1.828 177.208 175.510 -0.217 0.000 1.290 474 N CA 1.283 54.292 53.050 -0.069 0.000 0.831 474 N CB 0.766 39.313 38.487 0.100 0.000 1.057 474 N HN 1.079 nan 8.380 nan 0.000 0.481 475 T N 1.329 115.571 114.554 -0.520 0.000 3.129 475 T HA 0.095 4.445 4.350 -0.000 0.000 0.251 475 T C 0.868 175.041 174.700 -0.878 0.000 1.117 475 T CA 0.366 62.030 62.100 -0.726 0.000 1.034 475 T CB -0.332 67.995 68.868 -0.901 0.000 0.968 475 T HN 0.418 nan 8.240 nan 0.000 0.526 476 F N 0.611 120.456 119.950 -0.174 0.000 2.661 476 F HA 0.414 4.941 4.527 -0.000 0.000 0.306 476 F C 0.543 176.066 175.800 -0.462 0.000 1.094 476 F CA -1.138 56.680 58.000 -0.304 0.000 1.254 476 F CB 0.172 38.953 39.000 -0.365 0.000 1.040 476 F HN 0.279 nan 8.300 nan 0.000 0.562 477 H N 0.804 119.880 119.070 0.011 0.000 2.917 477 H HA 0.263 4.819 4.556 -0.000 0.000 0.279 477 H C 0.917 176.209 175.328 -0.060 0.000 1.211 477 H CA -0.662 55.379 56.048 -0.011 0.000 1.534 477 H CB 1.255 31.014 29.762 -0.004 0.000 1.581 477 H HN 0.022 nan 8.280 nan 0.000 0.510 478 L N 2.174 123.404 121.223 0.011 0.000 2.054 478 L HA -0.318 4.022 4.340 -0.000 0.000 0.220 478 L C 2.014 178.857 176.870 -0.046 0.000 1.081 478 L CA 2.039 56.839 54.840 -0.066 0.000 0.780 478 L CB -0.300 41.648 42.059 -0.185 0.000 0.893 478 L HN 0.364 nan 8.230 nan 0.000 0.438 479 K N -0.154 120.235 120.400 -0.019 0.000 2.486 479 K HA 0.271 4.591 4.320 -0.000 0.000 0.194 479 K C 0.768 177.351 176.600 -0.029 0.000 1.033 479 K CA 0.630 56.903 56.287 -0.024 0.000 1.004 479 K CB -0.919 31.568 32.500 -0.022 0.000 0.798 479 K HN 0.194 nan 8.250 nan 0.000 0.495 480 A N 1.457 124.271 122.820 -0.010 0.000 2.445 480 A HA 0.417 4.737 4.320 -0.000 0.000 0.242 480 A C 0.291 177.849 177.584 -0.045 0.000 1.075 480 A CA -0.027 52.000 52.037 -0.017 0.000 0.777 480 A CB -0.045 18.972 19.000 0.027 0.000 1.013 480 A HN 0.443 nan 8.150 nan 0.000 0.493 481 T N -0.448 114.085 114.554 -0.035 0.000 2.924 481 T HA 0.780 5.130 4.350 -0.000 0.000 0.291 481 T C 0.171 174.870 174.700 -0.002 0.000 1.045 481 T CA -0.089 61.987 62.100 -0.040 0.000 1.015 481 T CB 1.836 70.682 68.868 -0.037 0.000 1.103 481 T HN 1.251 nan 8.240 nan 0.000 0.496 482 G N -0.304 108.504 108.800 0.014 0.000 2.932 482 G HA2 0.516 4.476 3.960 -0.000 0.000 0.283 482 G HA3 0.516 4.476 3.960 -0.000 0.000 0.283 482 G C 0.054 175.036 174.900 0.137 0.000 1.336 482 G CA -1.084 44.067 45.100 0.086 0.000 1.056 482 G HN 0.660 nan 8.290 nan 0.000 0.522 483 F N 1.110 121.098 119.950 0.064 0.000 2.091 483 F HA -0.152 4.375 4.527 -0.000 0.000 0.299 483 F C 2.656 178.520 175.800 0.106 0.000 1.103 483 F CA 2.559 60.609 58.000 0.084 0.000 1.228 483 F CB -0.101 38.953 39.000 0.090 0.000 0.984 483 F HN 0.347 nan 8.300 nan 0.000 0.477 484 A N 0.011 122.927 122.820 0.160 0.000 2.019 484 A HA -0.081 4.239 4.320 -0.000 0.000 0.219 484 A C 2.119 179.706 177.584 0.006 0.000 1.164 484 A CA 1.558 53.640 52.037 0.075 0.000 0.644 484 A CB -0.940 18.195 19.000 0.225 0.000 0.805 484 A HN 0.510 nan 8.150 nan 0.000 0.449 485 L N -2.029 119.197 121.223 0.006 0.000 2.607 485 L HA 0.256 4.596 4.340 -0.000 0.000 0.228 485 L C 1.486 178.322 176.870 -0.058 0.000 1.123 485 L CA 0.624 55.443 54.840 -0.036 0.000 0.890 485 L CB 0.124 42.147 42.059 -0.060 0.000 1.103 485 L HN 0.570 nan 8.230 nan 0.000 0.468 486 G N 0.130 108.894 108.800 -0.060 0.000 2.164 486 G HA2 -0.218 3.742 3.960 -0.000 0.000 0.154 486 G HA3 -0.218 3.742 3.960 -0.000 0.000 0.154 486 G C -0.095 174.866 174.900 0.101 0.000 1.014 486 G CA -0.550 44.574 45.100 0.039 0.000 0.683 486 G HN 0.248 nan 8.290 nan 0.000 0.500 487 N N 1.012 119.729 118.700 0.028 0.000 2.485 487 N HA 0.451 5.191 4.740 -0.000 0.000 0.243 487 N C 1.457 176.994 175.510 0.046 0.000 0.987 487 N CA 0.519 53.588 53.050 0.032 0.000 0.940 487 N CB 1.011 39.523 38.487 0.042 0.000 1.122 487 N HN 0.215 nan 8.380 nan 0.000 0.509 488 G N 2.248 111.018 108.800 -0.051 0.000 2.598 488 G HA2 -0.127 3.833 3.960 -0.000 0.000 0.215 488 G HA3 -0.127 3.833 3.960 -0.000 0.000 0.215 488 G C 1.063 176.002 174.900 0.065 0.000 1.131 488 G CA 0.212 45.307 45.100 -0.007 0.000 0.785 488 G HN 0.546 nan 8.290 nan 0.000 0.539 489 E N 0.975 121.205 120.200 0.049 0.000 2.338 489 E HA -0.075 4.275 4.350 -0.000 0.000 0.197 489 E C 1.958 178.601 176.600 0.071 0.000 1.007 489 E CA 1.011 57.442 56.400 0.051 0.000 0.849 489 E CB 0.039 29.761 29.700 0.036 0.000 0.774 489 E HN 0.571 nan 8.360 nan 0.000 0.506 490 S N -1.364 114.400 115.700 0.107 0.000 2.651 490 S HA 0.480 4.950 4.470 -0.000 0.000 0.246 490 S C 1.418 176.075 174.600 0.094 0.000 1.039 490 S CA 0.130 58.392 58.200 0.105 0.000 1.013 490 S CB 0.971 64.242 63.200 0.118 0.000 0.861 490 S HN 0.156 nan 8.310 nan 0.000 0.485 491 A N 1.937 124.808 122.820 0.086 0.000 1.929 491 A HA -0.069 4.251 4.320 -0.000 0.000 0.216 491 A C 2.197 179.693 177.584 -0.145 0.000 1.176 491 A CA 1.373 53.364 52.037 -0.076 0.000 0.628 491 A CB -0.593 18.420 19.000 0.023 0.000 0.816 491 A HN 0.582 nan 8.150 nan 0.000 0.444 492 Q N -0.568 119.201 119.800 -0.051 0.000 2.119 492 Q HA -0.071 4.269 4.340 -0.000 0.000 0.201 492 Q C 2.124 178.057 176.000 -0.112 0.000 0.972 492 Q CA 1.252 57.015 55.803 -0.068 0.000 0.847 492 Q CB -0.295 28.462 28.738 0.031 0.000 0.903 492 Q HN 0.604 nan 8.270 nan 0.000 0.433 493 A N -0.170 122.628 122.820 -0.037 0.000 1.972 493 A HA -0.107 4.213 4.320 -0.000 0.000 0.219 493 A C 2.123 179.647 177.584 -0.101 0.000 1.169 493 A CA 1.279 53.314 52.037 -0.003 0.000 0.635 493 A CB -0.457 18.576 19.000 0.056 0.000 0.810 493 A HN 0.298 nan 8.150 nan 0.000 0.446 494 V N -0.737 119.104 119.914 -0.121 0.000 2.358 494 V HA -0.252 3.868 4.120 -0.000 0.000 0.246 494 V C 2.526 178.412 176.094 -0.346 0.000 1.047 494 V CA 2.202 64.421 62.300 -0.134 0.000 1.035 494 V CB -0.598 31.125 31.823 -0.168 0.000 0.658 494 V HN 0.650 nan 8.190 nan 0.000 0.452 495 M N -0.105 119.245 119.600 -0.417 0.000 2.159 495 M HA -0.189 4.291 4.480 -0.000 0.000 0.263 495 M C 2.100 177.931 176.300 -0.781 0.000 1.063 495 M CA 1.889 56.818 55.300 -0.619 0.000 1.110 495 M CB -0.911 31.267 32.600 -0.703 0.000 1.374 495 M HN 0.484 nan 8.290 nan 0.000 0.411 496 H N -0.487 118.108 119.070 -0.793 0.000 2.352 496 H HA 0.009 4.565 4.556 -0.000 0.000 0.299 496 H C 1.913 176.897 175.328 -0.574 0.000 1.097 496 H CA 2.003 57.689 56.048 -0.604 0.000 1.311 496 H CB -0.865 28.705 29.762 -0.321 0.000 1.377 496 H HN 0.458 nan 8.280 nan 0.000 0.504 497 G N 0.255 108.557 108.800 -0.831 0.000 2.408 497 G HA2 -0.158 3.802 3.960 -0.000 0.000 0.217 497 G HA3 -0.158 3.802 3.960 -0.000 0.000 0.217 497 G C 1.964 176.245 174.900 -1.032 0.000 1.150 497 G CA 0.757 44.942 45.100 -1.526 0.000 0.776 497 G HN 0.471 nan 8.290 nan 0.000 0.542 498 I N 1.269 121.423 120.570 -0.693 0.000 2.454 498 I HA -0.114 4.056 4.170 -0.000 0.000 0.254 498 I C 2.854 178.777 176.117 -0.324 0.000 1.156 498 I CA 0.858 61.928 61.300 -0.383 0.000 1.433 498 I CB 0.001 37.681 38.000 -0.534 0.000 1.082 498 I HN 0.236 nan 8.210 nan 0.000 0.432 499 A N 0.221 122.839 122.820 -0.338 0.000 2.278 499 A HA 0.370 4.690 4.320 -0.000 0.000 0.212 499 A C 1.731 179.291 177.584 -0.040 0.000 1.213 499 A CA 0.689 52.647 52.037 -0.131 0.000 0.840 499 A CB -0.522 18.457 19.000 -0.036 0.000 0.866 499 A HN 0.556 nan 8.150 nan 0.000 0.489 500 G N -1.752 106.980 108.800 -0.114 0.000 2.157 500 G HA2 -0.180 3.780 3.960 -0.000 0.000 0.239 500 G HA3 -0.180 3.780 3.960 -0.000 0.000 0.239 500 G C 0.599 175.442 174.900 -0.096 0.000 0.982 500 G CA 0.262 45.330 45.100 -0.053 0.000 0.650 500 G HN 1.268 nan 8.290 nan 0.000 0.527 501 S N -1.643 113.906 115.700 -0.252 0.000 3.587 501 S HA -0.227 4.243 4.470 -0.000 0.000 0.337 501 S C 1.035 175.571 174.600 -0.108 0.000 1.119 501 S CA 1.278 59.208 58.200 -0.450 0.000 0.976 501 S CB -1.543 61.453 63.200 -0.340 0.000 0.922 501 S HN 1.552 nan 8.310 nan 0.000 0.503 502 S N 0.954 116.719 115.700 0.109 0.000 2.526 502 S HA 0.550 5.020 4.470 -0.000 0.000 0.245 502 S C 0.570 175.318 174.600 0.246 0.000 1.103 502 S CA 0.067 58.363 58.200 0.161 0.000 1.095 502 S CB 0.868 64.136 63.200 0.113 0.000 0.826 502 S HN 1.559 nan 8.310 nan 0.000 0.468 503 G N 1.605 110.679 108.800 0.457 0.000 3.069 503 G HA2 0.036 3.995 3.960 -0.000 0.000 0.686 503 G HA3 0.036 3.995 3.960 -0.000 0.000 0.686 503 G C -1.284 173.726 174.900 0.184 0.000 1.161 503 G CA -0.881 44.365 45.100 0.243 0.000 0.804 503 G HN 0.368 nan 8.290 nan 0.000 0.608 504 W N 5.466 126.574 121.300 -0.319 0.000 3.651 504 W HA 0.453 5.112 4.660 -0.000 0.000 0.322 504 W C 0.120 176.496 176.519 -0.238 0.000 1.132 504 W CA 0.094 57.263 57.345 -0.293 0.000 1.277 504 W CB 1.062 30.263 29.460 -0.432 0.000 1.249 504 W HN 1.479 nan 8.180 nan 0.000 0.448 505 K N 2.688 122.758 120.400 -0.551 0.000 1.791 505 K HA -0.344 3.976 4.320 -0.000 0.000 0.140 505 K C 0.486 176.987 176.600 -0.165 0.000 1.312 505 K CA 2.386 58.451 56.287 -0.369 0.000 0.382 505 K CB -1.525 30.803 32.500 -0.286 0.000 0.635 505 K HN 0.758 nan 8.250 nan 0.000 0.838 506 A N 1.414 124.181 122.820 -0.089 0.000 2.337 506 A HA 0.335 4.655 4.320 -0.000 0.000 0.227 506 A C 0.686 178.255 177.584 -0.025 0.000 1.259 506 A CA -0.114 51.895 52.037 -0.046 0.000 0.870 506 A CB -0.220 18.765 19.000 -0.026 0.000 0.927 506 A HN 0.247 nan 8.150 nan 0.000 0.497 507 L N 1.178 122.375 121.223 -0.043 0.000 2.265 507 L HA 0.491 4.831 4.340 -0.000 0.000 0.288 507 L C 0.722 177.583 176.870 -0.015 0.000 1.058 507 L CA -0.592 54.224 54.840 -0.040 0.000 0.809 507 L CB 1.285 43.252 42.059 -0.154 0.000 1.179 507 L HN 0.270 nan 8.230 nan 0.000 0.429 508 A N 5.785 128.638 122.820 0.055 0.000 2.407 508 A HA 0.488 4.808 4.320 -0.000 0.000 0.248 508 A C -2.221 175.468 177.584 0.174 0.000 1.082 508 A CA -1.059 51.028 52.037 0.083 0.000 0.785 508 A CB -0.348 18.692 19.000 0.066 0.000 1.020 508 A HN 0.469 nan 8.150 nan 0.000 0.489 509 P HA 0.055 nan 4.420 nan 0.000 0.267 509 P C 0.585 177.960 177.300 0.126 0.000 1.200 509 P CA -0.285 62.930 63.100 0.191 0.000 0.772 509 P CB 0.361 32.136 31.700 0.124 0.000 0.855 510 I N 1.527 122.144 120.570 0.078 0.000 2.494 510 I HA 0.009 4.179 4.170 -0.000 0.000 0.250 510 I C 1.071 177.195 176.117 0.012 0.000 1.112 510 I CA 1.268 62.585 61.300 0.027 0.000 1.438 510 I CB -0.667 37.320 38.000 -0.022 0.000 1.111 510 I HN 0.159 nan 8.210 nan 0.000 0.431 511 V N -3.333 116.597 119.914 0.025 0.000 3.078 511 V HA 0.470 4.590 4.120 -0.000 0.000 0.311 511 V C -2.371 173.757 176.094 0.056 0.000 1.138 511 V CA -1.454 60.868 62.300 0.037 0.000 1.007 511 V CB 1.556 33.422 31.823 0.072 0.000 1.045 511 V HN -0.219 nan 8.190 nan 0.000 0.432 512 P HA 0.068 nan 4.420 nan 0.000 0.216 512 P C 0.070 177.414 177.300 0.073 0.000 1.153 512 P CA 1.351 64.490 63.100 0.065 0.000 0.844 512 P CB 0.252 31.989 31.700 0.061 0.000 0.787 513 E N -1.957 118.290 120.200 0.079 0.000 2.312 513 E HA 0.185 4.535 4.350 -0.000 0.000 0.267 513 E C -1.938 174.713 176.600 0.085 0.000 0.894 513 E CA -2.235 54.216 56.400 0.084 0.000 0.773 513 E CB 1.208 30.963 29.700 0.091 0.000 1.241 513 E HN -0.034 nan 8.360 nan 0.000 0.432 514 P HA -0.177 nan 4.420 nan 0.000 0.218 514 P C 1.132 178.482 177.300 0.084 0.000 1.148 514 P CA 1.330 64.481 63.100 0.084 0.000 0.822 514 P CB 0.238 31.992 31.700 0.092 0.000 0.784 515 S N -0.766 114.995 115.700 0.103 0.000 2.537 515 S HA -0.135 4.335 4.470 -0.000 0.000 0.240 515 S C 1.709 176.305 174.600 -0.006 0.000 0.981 515 S CA 0.707 58.931 58.200 0.041 0.000 0.948 515 S CB -0.981 62.215 63.200 -0.007 0.000 0.759 515 S HN 0.300 nan 8.310 nan 0.000 0.531 516 Q N 0.546 120.370 119.800 0.040 0.000 2.247 516 Q HA 0.317 4.657 4.340 -0.000 0.000 0.204 516 Q C -0.053 175.993 176.000 0.077 0.000 0.872 516 Q CA -0.130 55.714 55.803 0.067 0.000 0.951 516 Q CB 0.644 29.477 28.738 0.159 0.000 1.099 516 Q HN 0.436 nan 8.270 nan 0.000 0.501 517 S N 1.382 117.104 115.700 0.038 0.000 2.461 517 S HA 0.322 4.791 4.470 -0.000 0.000 0.322 517 S C -0.328 174.268 174.600 -0.006 0.000 1.063 517 S CA -0.620 57.611 58.200 0.052 0.000 1.120 517 S CB 0.271 63.517 63.200 0.076 0.000 0.968 517 S HN 0.134 nan 8.310 nan 0.000 0.467 518 I N 5.633 126.150 120.570 -0.088 0.000 2.308 518 I HA 0.242 4.412 4.170 -0.000 0.000 0.293 518 I C 0.002 176.173 176.117 0.089 0.000 1.078 518 I CA -0.406 60.770 61.300 -0.206 0.000 1.292 518 I CB -0.232 37.352 38.000 -0.695 0.000 1.423 518 I HN 0.533 nan 8.210 nan 0.000 0.493 519 N N 8.345 127.151 118.700 0.177 0.000 2.419 519 N HA 0.407 5.147 4.740 -0.000 0.000 0.264 519 N C -0.575 175.128 175.510 0.321 0.000 1.031 519 N CA -0.169 53.051 53.050 0.282 0.000 0.951 519 N CB 1.498 40.148 38.487 0.271 0.000 1.101 519 N HN 0.516 nan 8.380 nan 0.000 0.488 520 Y N -1.790 118.523 120.300 0.023 0.000 2.670 520 Y HA 0.531 5.081 4.550 -0.000 0.000 0.334 520 Y C -0.015 175.880 175.900 -0.008 0.000 1.185 520 Y CA -1.241 56.904 58.100 0.074 0.000 1.053 520 Y CB 0.412 38.975 38.460 0.171 0.000 1.298 520 Y HN 0.051 nan 8.280 nan 0.000 0.459 521 V N -2.612 117.222 119.914 -0.133 0.000 3.411 521 V HA 0.491 4.611 4.120 -0.000 0.000 0.287 521 V C -0.224 175.860 176.094 -0.017 0.000 1.543 521 V CA 0.727 62.910 62.300 -0.194 0.000 1.028 521 V CB 0.543 32.339 31.823 -0.044 0.000 0.840 521 V HN 0.864 nan 8.190 nan 0.000 0.435 522 E N 0.694 120.986 120.200 0.153 0.000 2.390 522 E HA 0.700 5.050 4.350 -0.000 0.000 0.277 522 E C -0.888 175.889 176.600 0.295 0.000 0.939 522 E CA 0.310 56.834 56.400 0.208 0.000 0.769 522 E CB 2.590 32.445 29.700 0.259 0.000 1.251 522 E HN 0.546 nan 8.360 nan 0.000 0.450 523 S N 1.115 116.790 115.700 -0.042 0.000 2.757 523 S HA 0.213 4.683 4.470 -0.000 0.000 0.285 523 S C 0.771 174.915 174.600 -0.759 0.000 1.196 523 S CA -0.318 57.728 58.200 -0.256 0.000 0.856 523 S CB 0.532 63.648 63.200 -0.140 0.000 1.212 523 S HN 0.808 nan 8.310 nan 0.000 0.516 524 H N -0.030 118.688 119.070 -0.587 0.000 2.495 524 H HA 0.184 4.740 4.556 -0.000 0.000 0.287 524 H C -0.596 174.559 175.328 -0.288 0.000 1.033 524 H CA 0.715 56.483 56.048 -0.467 0.000 1.307 524 H CB -0.500 28.918 29.762 -0.574 0.000 1.401 524 H HN 0.461 nan 8.280 nan 0.000 0.555 525 D N 1.563 121.489 120.400 -0.789 0.000 2.264 525 D HA 0.153 4.793 4.640 -0.000 0.000 0.249 525 D C 0.133 176.343 176.300 -0.150 0.000 1.070 525 D CA -0.048 53.711 54.000 -0.401 0.000 0.912 525 D CB 1.035 41.548 40.800 -0.478 0.000 1.193 525 D HN 0.377 nan 8.370 nan 0.000 0.427 526 N N -0.147 118.527 118.700 -0.044 0.000 6.841 526 N HA -0.198 4.542 4.740 -0.000 0.000 0.420 526 N C -0.440 175.039 175.510 -0.052 0.000 0.944 526 N CA 0.231 53.223 53.050 -0.097 0.000 1.444 526 N CB -0.520 37.888 38.487 -0.133 0.000 0.807 526 N HN 0.507 nan 8.380 nan 0.000 0.332 527 H N 0.053 119.139 119.070 0.026 0.000 2.852 527 H HA 0.128 4.684 4.556 -0.000 0.000 0.362 527 H C 0.601 175.979 175.328 0.082 0.000 1.122 527 H CA 0.954 57.051 56.048 0.082 0.000 1.419 527 H CB 0.202 30.019 29.762 0.091 0.000 1.401 527 H HN 0.641 nan 8.280 nan 0.000 0.609 528 T N -1.064 113.663 114.554 0.288 0.000 2.766 528 T HA -0.025 4.325 4.350 -0.000 0.000 0.295 528 T C 1.420 176.281 174.700 0.269 0.000 1.024 528 T CA -0.603 61.663 62.100 0.277 0.000 1.018 528 T CB 0.494 69.553 68.868 0.319 0.000 1.002 528 T HN 0.468 nan 8.240 nan 0.000 0.532 529 F N 0.212 120.258 119.950 0.159 0.000 2.171 529 F HA 0.011 4.537 4.527 -0.000 0.000 0.300 529 F C 2.095 177.976 175.800 0.135 0.000 1.090 529 F CA 1.251 59.320 58.000 0.116 0.000 1.293 529 F CB -0.259 38.805 39.000 0.107 0.000 1.013 529 F HN 0.760 nan 8.300 nan 0.000 0.486 530 W N 1.291 122.769 121.300 0.296 0.000 2.358 530 W HA -0.220 4.440 4.660 -0.000 0.000 0.303 530 W C 1.595 178.108 176.519 -0.010 0.000 1.208 530 W CA 1.948 59.396 57.345 0.172 0.000 1.274 530 W CB -0.497 29.067 29.460 0.173 0.000 1.138 530 W HN 0.038 nan 8.180 nan 0.000 0.515 531 D N 0.408 120.870 120.400 0.104 0.000 2.117 531 D HA -0.181 4.459 4.640 -0.000 0.000 0.198 531 D C 1.922 178.071 176.300 -0.252 0.000 0.982 531 D CA 1.911 55.852 54.000 -0.097 0.000 0.828 531 D CB -0.352 40.539 40.800 0.152 0.000 0.967 531 D HN 0.082 nan 8.370 nan 0.000 0.464 532 K N 0.906 121.220 120.400 -0.143 0.000 2.026 532 K HA -0.097 4.223 4.320 -0.000 0.000 0.208 532 K C 2.021 178.454 176.600 -0.279 0.000 1.048 532 K CA 1.155 57.335 56.287 -0.178 0.000 0.929 532 K CB -0.489 31.889 32.500 -0.203 0.000 0.713 532 K HN 0.139 nan 8.250 nan 0.000 0.439 533 M N 0.049 119.386 119.600 -0.439 0.000 2.213 533 M HA -0.123 4.357 4.480 -0.000 0.000 0.263 533 M C 1.423 177.457 176.300 -0.444 0.000 1.062 533 M CA 1.813 56.841 55.300 -0.453 0.000 1.105 533 M CB -0.059 32.252 32.600 -0.482 0.000 1.385 533 M HN 0.173 nan 8.290 nan 0.000 0.417 534 S N 0.049 115.401 115.700 -0.579 0.000 2.447 534 S HA -0.034 4.436 4.470 -0.000 0.000 0.233 534 S C 1.251 175.538 174.600 -0.522 0.000 1.006 534 S CA 0.909 58.730 58.200 -0.632 0.000 0.957 534 S CB -0.301 62.437 63.200 -0.770 0.000 0.773 534 S HN 0.504 nan 8.310 nan 0.000 0.507 535 F N 1.141 120.918 119.950 -0.289 0.000 2.387 535 F HA 0.315 4.842 4.527 -0.000 0.000 0.294 535 F C 2.329 178.013 175.800 -0.193 0.000 1.093 535 F CA 0.257 58.119 58.000 -0.230 0.000 1.420 535 F CB -0.662 38.175 39.000 -0.272 0.000 1.086 535 F HN 0.151 nan 8.300 nan 0.000 0.531 536 A N -0.915 121.878 122.820 -0.045 0.000 2.021 536 A HA 0.134 4.454 4.320 -0.000 0.000 0.216 536 A C 0.800 178.325 177.584 -0.099 0.000 1.163 536 A CA 0.930 52.921 52.037 -0.076 0.000 0.676 536 A CB -0.278 18.652 19.000 -0.116 0.000 0.818 536 A HN 0.145 nan 8.150 nan 0.000 0.453 537 L N 0.707 121.842 121.223 -0.148 0.000 2.679 537 L HA 0.304 4.644 4.340 -0.000 0.000 0.238 537 L C -1.699 175.077 176.870 -0.157 0.000 1.330 537 L CA -1.459 53.294 54.840 -0.146 0.000 0.935 537 L CB 1.289 43.246 42.059 -0.171 0.000 1.243 537 L HN 0.099 nan 8.230 nan 0.000 0.484 538 P HA -0.168 nan 4.420 nan 0.000 0.225 538 P C 0.828 178.069 177.300 -0.098 0.000 1.148 538 P CA 0.940 63.974 63.100 -0.110 0.000 0.779 538 P CB 0.647 32.310 31.700 -0.062 0.000 0.780 539 Q N -0.467 119.279 119.800 -0.089 0.000 2.247 539 Q HA 0.163 4.503 4.340 -0.000 0.000 0.204 539 Q C 0.319 176.269 176.000 -0.082 0.000 0.872 539 Q CA 0.173 55.932 55.803 -0.074 0.000 0.951 539 Q CB 0.171 28.874 28.738 -0.058 0.000 1.099 539 Q HN 0.399 nan 8.270 nan 0.000 0.501 540 E N 0.860 120.994 120.200 -0.109 0.000 2.216 540 E HA 0.155 4.505 4.350 -0.000 0.000 0.279 540 E C -0.411 176.124 176.600 -0.108 0.000 0.997 540 E CA -0.584 55.750 56.400 -0.110 0.000 0.817 540 E CB 0.846 30.466 29.700 -0.132 0.000 1.096 540 E HN 0.313 nan 8.360 nan 0.000 0.393 541 N N 1.671 120.325 118.700 -0.076 0.000 2.263 541 N HA -0.055 4.685 4.740 -0.000 0.000 0.239 541 N C 0.197 175.681 175.510 -0.044 0.000 1.317 541 N CA -0.134 52.887 53.050 -0.049 0.000 0.909 541 N CB 0.488 38.958 38.487 -0.028 0.000 1.171 541 N HN 0.260 nan 8.380 nan 0.000 0.492 542 D N -1.071 119.340 120.400 0.018 0.000 2.144 542 D HA -0.133 4.507 4.640 -0.000 0.000 0.200 542 D C 1.649 177.981 176.300 0.053 0.000 0.978 542 D CA 1.013 55.076 54.000 0.105 0.000 0.833 542 D CB -0.510 40.388 40.800 0.163 0.000 0.961 542 D HN 0.564 nan 8.370 nan 0.000 0.470 543 S N -0.044 115.663 115.700 0.012 0.000 2.368 543 S HA -0.134 4.336 4.470 -0.000 0.000 0.225 543 S C 1.901 176.482 174.600 -0.032 0.000 1.030 543 S CA 0.992 59.186 58.200 -0.010 0.000 0.999 543 S CB 0.087 63.285 63.200 -0.004 0.000 0.844 543 S HN 0.150 nan 8.310 nan 0.000 0.459 544 R N 0.333 120.807 120.500 -0.045 0.000 2.115 544 R HA 0.053 4.393 4.340 -0.000 0.000 0.226 544 R C 2.447 178.706 176.300 -0.067 0.000 1.100 544 R CA 1.199 57.261 56.100 -0.063 0.000 0.980 544 R CB -0.124 30.128 30.300 -0.080 0.000 0.875 544 R HN 0.378 nan 8.270 nan 0.000 0.445 545 K N 0.177 120.523 120.400 -0.090 0.000 2.057 545 K HA -0.077 4.243 4.320 -0.000 0.000 0.206 545 K C 2.140 178.754 176.600 0.023 0.000 1.050 545 K CA 1.081 57.289 56.287 -0.132 0.000 0.935 545 K CB -0.027 32.213 32.500 -0.433 0.000 0.715 545 K HN 0.086 nan 8.250 nan 0.000 0.439 546 R N 0.666 121.167 120.500 0.002 0.000 2.091 546 R HA -0.127 4.213 4.340 -0.000 0.000 0.238 546 R C 2.581 178.925 176.300 0.074 0.000 1.136 546 R CA 1.919 57.921 56.100 -0.163 0.000 0.959 546 R CB -0.447 29.576 30.300 -0.462 0.000 0.856 546 R HN 0.292 nan 8.270 nan 0.000 0.437 547 S N 0.674 116.387 115.700 0.021 0.000 2.402 547 S HA -0.108 4.362 4.470 -0.000 0.000 0.229 547 S C 1.879 176.505 174.600 0.043 0.000 1.021 547 S CA 0.744 58.955 58.200 0.019 0.000 0.974 547 S CB -0.200 62.984 63.200 -0.027 0.000 0.800 547 S HN 0.311 nan 8.310 nan 0.000 0.484 548 R N 0.882 121.414 120.500 0.053 0.000 2.115 548 R HA 0.052 4.392 4.340 -0.000 0.000 0.226 548 R C 2.630 178.994 176.300 0.107 0.000 1.100 548 R CA 1.258 57.402 56.100 0.073 0.000 0.980 548 R CB -0.310 30.033 30.300 0.071 0.000 0.875 548 R HN 0.612 nan 8.270 nan 0.000 0.445 549 Q N 0.951 120.845 119.800 0.157 0.000 2.187 549 Q HA -0.051 4.288 4.340 -0.000 0.000 0.199 549 Q C 1.927 177.915 176.000 -0.020 0.000 0.957 549 Q CA 1.011 56.803 55.803 -0.019 0.000 0.857 549 Q CB 0.256 29.188 28.738 0.324 0.000 0.929 549 Q HN 0.200 nan 8.270 nan 0.000 0.453 550 R N -0.046 120.547 120.500 0.154 0.000 2.115 550 R HA -0.112 4.228 4.340 -0.000 0.000 0.230 550 R C 2.307 178.713 176.300 0.177 0.000 1.111 550 R CA 1.035 57.254 56.100 0.197 0.000 0.976 550 R CB -0.318 30.077 30.300 0.159 0.000 0.870 550 R HN 0.270 nan 8.270 nan 0.000 0.445 551 L N 0.877 122.158 121.223 0.096 0.000 2.046 551 L HA -0.070 4.270 4.340 -0.000 0.000 0.208 551 L C 2.222 179.084 176.870 -0.013 0.000 1.077 551 L CA 1.895 56.780 54.840 0.075 0.000 0.747 551 L CB -0.587 41.509 42.059 0.063 0.000 0.896 551 L HN 0.088 nan 8.230 nan 0.000 0.432 552 A N -1.222 121.545 122.820 -0.088 0.000 1.972 552 A HA -0.107 4.213 4.320 -0.000 0.000 0.219 552 A C 2.192 179.669 177.584 -0.179 0.000 1.169 552 A CA 1.810 53.740 52.037 -0.179 0.000 0.635 552 A CB -0.945 17.779 19.000 -0.460 0.000 0.810 552 A HN 0.339 nan 8.150 nan 0.000 0.446 553 V N -0.352 119.486 119.914 -0.127 0.000 2.379 553 V HA -0.169 3.951 4.120 -0.000 0.000 0.245 553 V C 3.015 179.093 176.094 -0.027 0.000 1.044 553 V CA 1.708 63.962 62.300 -0.076 0.000 1.036 553 V CB -1.265 30.539 31.823 -0.032 0.000 0.664 553 V HN 0.576 nan 8.190 nan 0.000 0.453 554 A N 0.029 122.872 122.820 0.037 0.000 1.933 554 A HA -0.168 4.152 4.320 -0.000 0.000 0.218 554 A C 2.210 179.843 177.584 0.081 0.000 1.175 554 A CA 1.839 53.930 52.037 0.091 0.000 0.628 554 A CB -0.571 18.569 19.000 0.233 0.000 0.814 554 A HN 0.494 nan 8.150 nan 0.000 0.444 555 I N -0.158 120.354 120.570 -0.096 0.000 2.226 555 I HA -0.240 3.930 4.170 -0.000 0.000 0.245 555 I C 2.170 178.329 176.117 0.069 0.000 1.100 555 I CA 0.995 62.233 61.300 -0.103 0.000 1.374 555 I CB -0.194 37.693 38.000 -0.189 0.000 1.057 555 I HN 0.275 nan 8.210 nan 0.000 0.413 556 I N 0.290 120.834 120.570 -0.044 0.000 2.277 556 I HA -0.204 3.966 4.170 -0.000 0.000 0.243 556 I C 2.463 178.614 176.117 0.056 0.000 1.094 556 I CA 1.547 62.820 61.300 -0.045 0.000 1.393 556 I CB -0.923 37.002 38.000 -0.126 0.000 1.078 556 I HN 0.222 nan 8.210 nan 0.000 0.417 557 L N 0.115 121.351 121.223 0.022 0.000 2.275 557 L HA -0.118 4.222 4.340 -0.000 0.000 0.215 557 L C 1.924 178.789 176.870 -0.007 0.000 1.119 557 L CA 0.928 55.769 54.840 0.000 0.000 0.790 557 L CB -0.215 41.811 42.059 -0.054 0.000 0.919 557 L HN 0.212 nan 8.230 nan 0.000 0.443 558 L N -0.730 120.534 121.223 0.068 0.000 2.700 558 L HA 0.308 4.648 4.340 -0.000 0.000 0.234 558 L C 0.804 177.897 176.870 0.371 0.000 1.156 558 L CA -0.517 54.388 54.840 0.108 0.000 0.946 558 L CB -0.048 42.121 42.059 0.184 0.000 1.216 558 L HN 0.055 nan 8.230 nan 0.000 0.493 559 A N -0.147 122.839 122.820 0.278 0.000 2.293 559 A HA 0.523 4.843 4.320 -0.000 0.000 0.302 559 A C 0.029 177.743 177.584 0.217 0.000 1.119 559 A CA -0.474 51.715 52.037 0.252 0.000 0.823 559 A CB 0.615 19.818 19.000 0.337 0.000 1.097 559 A HN 0.120 nan 8.150 nan 0.000 0.491 560 Q N 0.054 119.941 119.800 0.145 0.000 2.373 560 Q HA 0.489 4.829 4.340 -0.000 0.000 0.255 560 Q C 0.665 176.737 176.000 0.119 0.000 0.980 560 Q CA 1.263 57.143 55.803 0.127 0.000 0.882 560 Q CB 1.029 29.814 28.738 0.078 0.000 1.249 560 Q HN 1.573 nan 8.270 nan 0.000 0.438 561 G N -0.057 108.814 108.800 0.119 0.000 2.297 561 G HA2 -0.097 3.863 3.960 -0.000 0.000 0.209 561 G HA3 -0.097 3.863 3.960 -0.000 0.000 0.209 561 G C -1.469 173.485 174.900 0.091 0.000 1.267 561 G CA -0.557 44.605 45.100 0.104 0.000 1.127 561 G HN 0.437 nan 8.290 nan 0.000 0.498 562 V N 2.949 122.894 119.914 0.050 0.000 2.304 562 V HA 0.523 4.643 4.120 -0.000 0.000 0.278 562 V C -1.898 174.212 176.094 0.026 0.000 1.018 562 V CA -1.057 61.241 62.300 -0.003 0.000 0.814 562 V CB 1.528 33.273 31.823 -0.130 0.000 1.021 562 V HN 0.664 nan 8.190 nan 0.000 0.440 563 P HA 0.212 nan 4.420 nan 0.000 0.271 563 P C -1.053 176.326 177.300 0.132 0.000 1.216 563 P CA -0.008 63.152 63.100 0.099 0.000 0.771 563 P CB 0.918 32.657 31.700 0.065 0.000 0.864 564 F N 4.531 124.495 119.950 0.024 0.000 2.547 564 F HA 0.581 5.108 4.527 -0.000 0.000 0.316 564 F C -1.178 174.688 175.800 0.110 0.000 1.121 564 F CA -1.142 56.886 58.000 0.045 0.000 0.911 564 F CB 1.233 40.255 39.000 0.038 0.000 1.179 564 F HN 0.138 nan 8.300 nan 0.000 0.443 565 I N 5.548 125.964 120.570 -0.257 0.000 2.545 565 I HA 0.259 4.428 4.170 -0.000 0.000 0.292 565 I C -0.716 175.243 176.117 -0.263 0.000 1.040 565 I CA -0.833 60.413 61.300 -0.091 0.000 1.068 565 I CB 1.996 40.002 38.000 0.010 0.000 1.251 565 I HN 0.604 nan 8.210 nan 0.000 0.424 566 H N 4.877 123.862 119.070 -0.141 0.000 2.620 566 H HA 0.184 4.740 4.556 -0.000 0.000 0.313 566 H C 0.078 175.182 175.328 -0.373 0.000 1.075 566 H CA -0.318 55.616 56.048 -0.190 0.000 1.397 566 H CB 1.381 31.162 29.762 0.031 0.000 1.446 566 H HN 0.629 nan 8.280 nan 0.000 0.493 567 S N 3.069 118.198 115.700 -0.951 0.000 2.596 567 S HA 0.086 4.556 4.470 -0.000 0.000 0.298 567 S C 1.286 175.425 174.600 -0.769 0.000 1.255 567 S CA 1.081 58.709 58.200 -0.953 0.000 1.083 567 S CB -0.548 62.235 63.200 -0.695 0.000 0.837 567 S HN 1.054 nan 8.310 nan 0.000 0.499 568 G N 3.765 112.150 108.800 -0.692 0.000 2.213 568 G HA2 -0.285 3.675 3.960 -0.000 0.000 0.236 568 G HA3 -0.285 3.675 3.960 -0.000 0.000 0.236 568 G C 0.788 175.117 174.900 -0.953 0.000 0.991 568 G CA 0.634 45.026 45.100 -1.180 0.000 0.629 568 G HN 0.699 nan 8.290 nan 0.000 0.517 569 Q N 0.674 120.160 119.800 -0.524 0.000 2.124 569 Q HA -0.143 4.197 4.340 -0.000 0.000 0.202 569 Q C 2.537 178.282 176.000 -0.424 0.000 0.977 569 Q CA 1.900 57.521 55.803 -0.302 0.000 0.850 569 Q CB -0.199 28.469 28.738 -0.116 0.000 0.901 569 Q HN 0.765 nan 8.270 nan 0.000 0.429 570 E N 0.348 120.294 120.200 -0.423 0.000 2.209 570 E HA -0.183 4.167 4.350 -0.000 0.000 0.196 570 E C 0.546 176.851 176.600 -0.492 0.000 0.993 570 E CA 0.959 57.153 56.400 -0.343 0.000 0.819 570 E CB -0.311 29.321 29.700 -0.114 0.000 0.745 570 E HN 0.540 nan 8.360 nan 0.000 0.477 571 F N -1.254 118.416 119.950 -0.466 0.000 2.831 571 F HA 0.452 4.979 4.527 -0.000 0.000 0.355 571 F C -0.719 174.719 175.800 -0.602 0.000 1.341 571 F CA -2.192 55.460 58.000 -0.581 0.000 1.201 571 F CB -0.788 38.128 39.000 -0.140 0.000 1.058 571 F HN -0.235 nan 8.300 nan 0.000 0.514 572 F N -0.326 119.497 119.950 -0.212 0.000 3.004 572 F HA -0.274 4.253 4.527 -0.000 0.000 0.264 572 F C 1.167 176.818 175.800 -0.249 0.000 0.979 572 F CA 0.674 58.499 58.000 -0.293 0.000 0.896 572 F CB -1.768 36.732 39.000 -0.833 0.000 0.813 572 F HN 0.523 nan 8.300 nan 0.000 0.804 573 R N 0.854 121.300 120.500 -0.090 0.000 2.566 573 R HA 0.215 4.555 4.340 -0.000 0.000 0.273 573 R C 0.442 176.809 176.300 0.112 0.000 0.981 573 R CA 1.157 57.248 56.100 -0.015 0.000 1.091 573 R CB 0.612 30.826 30.300 -0.144 0.000 0.924 573 R HN 0.329 nan 8.270 nan 0.000 0.411 574 T N 2.453 117.074 114.554 0.112 0.000 2.893 574 T HA 0.346 4.696 4.350 -0.000 0.000 0.291 574 T C -0.297 174.501 174.700 0.163 0.000 1.028 574 T CA -0.847 61.367 62.100 0.190 0.000 0.995 574 T CB 1.323 70.302 68.868 0.185 0.000 1.051 574 T HN 0.709 nan 8.240 nan 0.000 0.470 575 K N 2.193 122.708 120.400 0.191 0.000 2.646 575 K HA 0.203 4.523 4.320 -0.000 0.000 0.206 575 K C -0.004 176.681 176.600 0.143 0.000 1.069 575 K CA -0.254 56.126 56.287 0.155 0.000 1.067 575 K CB 0.436 33.043 32.500 0.178 0.000 0.807 575 K HN 0.576 nan 8.250 nan 0.000 0.482 576 Q N -0.371 119.514 119.800 0.141 0.000 2.480 576 Q HA -0.218 4.122 4.340 -0.000 0.000 0.265 576 Q C 0.665 176.761 176.000 0.160 0.000 1.072 576 Q CA 1.237 57.113 55.803 0.122 0.000 1.018 576 Q CB -1.982 26.808 28.738 0.087 0.000 1.433 576 Q HN 0.762 nan 8.270 nan 0.000 0.513 577 G N -2.831 106.103 108.800 0.224 0.000 2.179 577 G HA2 -0.312 3.648 3.960 -0.000 0.000 0.260 577 G HA3 -0.312 3.648 3.960 -0.000 0.000 0.260 577 G C 0.153 175.323 174.900 0.450 0.000 0.977 577 G CA -0.071 45.263 45.100 0.390 0.000 0.641 577 G HN 0.596 nan 8.290 nan 0.000 0.533 578 V N 0.918 120.996 119.914 0.274 0.000 2.572 578 V HA 0.313 4.433 4.120 -0.000 0.000 0.291 578 V C 1.503 177.649 176.094 0.087 0.000 1.039 578 V CA 1.112 63.506 62.300 0.156 0.000 1.055 578 V CB 1.602 33.469 31.823 0.073 0.000 0.969 578 V HN 0.531 nan 8.190 nan 0.000 0.482 579 E N 4.172 124.300 120.200 -0.121 0.000 2.190 579 E HA -0.005 4.345 4.350 -0.000 0.000 0.191 579 E C 0.915 177.435 176.600 -0.134 0.000 0.978 579 E CA 0.360 56.484 56.400 -0.460 0.000 0.839 579 E CB 0.256 29.569 29.700 -0.644 0.000 0.787 579 E HN 0.786 nan 8.360 nan 0.000 0.473 580 N N 0.440 119.132 118.700 -0.013 0.000 2.716 580 N HA 0.046 4.786 4.740 -0.000 0.000 0.253 580 N C -0.551 174.967 175.510 0.013 0.000 1.170 580 N CA -0.057 53.056 53.050 0.104 0.000 0.807 580 N CB 1.008 39.566 38.487 0.117 0.000 1.183 580 N HN 0.003 nan 8.380 nan 0.000 0.524 581 S N 1.940 117.615 115.700 -0.041 0.000 2.743 581 S HA -0.068 4.402 4.470 -0.000 0.000 0.230 581 S C 1.485 175.582 174.600 -0.839 0.000 0.950 581 S CA -0.464 57.569 58.200 -0.279 0.000 0.976 581 S CB -0.782 62.389 63.200 -0.048 0.000 0.779 581 S HN 0.685 nan 8.310 nan 0.000 0.487 582 Y N 2.175 121.625 120.300 -1.416 0.000 2.298 582 Y HA -0.165 4.385 4.550 -0.000 0.000 0.287 582 Y C 1.713 177.233 175.900 -0.633 0.000 1.164 582 Y CA 1.592 58.701 58.100 -1.653 0.000 1.229 582 Y CB -0.848 37.105 38.460 -0.844 0.000 0.977 582 Y HN 0.650 nan 8.280 nan 0.000 0.538 583 Q N -0.163 119.046 119.800 -0.985 0.000 2.086 583 Q HA 0.373 4.713 4.340 -0.000 0.000 0.220 583 Q C -0.269 175.518 176.000 -0.355 0.000 0.792 583 Q CA -0.203 55.279 55.803 -0.536 0.000 1.062 583 Q CB 0.241 28.555 28.738 -0.707 0.000 1.198 583 Q HN 0.199 nan 8.270 nan 0.000 0.466 584 S N 1.816 117.256 115.700 -0.432 0.000 2.589 584 S HA 0.233 4.703 4.470 -0.000 0.000 0.265 584 S C 0.409 174.782 174.600 -0.378 0.000 1.342 584 S CA -0.038 57.952 58.200 -0.350 0.000 1.005 584 S CB 1.055 64.067 63.200 -0.313 0.000 0.909 584 S HN 0.592 nan 8.310 nan 0.000 0.555 585 S N 0.640 116.194 115.700 -0.244 0.000 2.617 585 S HA 0.151 4.621 4.470 -0.000 0.000 0.259 585 S C 0.573 175.020 174.600 -0.254 0.000 1.301 585 S CA -0.541 57.550 58.200 -0.182 0.000 0.984 585 S CB 0.204 63.351 63.200 -0.088 0.000 0.954 585 S HN 0.656 nan 8.310 nan 0.000 0.572 586 D N 1.159 121.484 120.400 -0.126 0.000 2.144 586 D HA -0.111 4.529 4.640 -0.000 0.000 0.199 586 D C 2.263 178.537 176.300 -0.043 0.000 0.984 586 D CA 1.807 55.764 54.000 -0.072 0.000 0.834 586 D CB -0.548 40.278 40.800 0.044 0.000 0.955 586 D HN 0.745 nan 8.370 nan 0.000 0.465 587 S N 0.411 116.093 115.700 -0.030 0.000 2.440 587 S HA -0.107 4.363 4.470 -0.000 0.000 0.238 587 S C 2.117 176.713 174.600 -0.007 0.000 1.010 587 S CA 0.567 58.766 58.200 -0.001 0.000 0.972 587 S CB -0.380 62.819 63.200 -0.002 0.000 0.774 587 S HN 0.282 nan 8.310 nan 0.000 0.501 588 I N 1.341 121.876 120.570 -0.058 0.000 2.628 588 I HA 0.028 4.198 4.170 -0.000 0.000 0.255 588 I C 2.056 178.141 176.117 -0.053 0.000 1.119 588 I CA 0.561 61.831 61.300 -0.051 0.000 1.448 588 I CB -0.220 37.727 38.000 -0.089 0.000 1.133 588 I HN 0.277 nan 8.210 nan 0.000 0.438 589 N N 1.070 119.680 118.700 -0.149 0.000 2.392 589 N HA -0.013 4.727 4.740 -0.000 0.000 0.177 589 N C 0.454 175.969 175.510 0.007 0.000 1.066 589 N CA 0.071 53.050 53.050 -0.120 0.000 0.895 589 N CB 0.100 38.321 38.487 -0.443 0.000 0.988 589 N HN 0.519 nan 8.380 nan 0.000 0.457 590 Q N 0.711 120.531 119.800 0.034 0.000 2.428 590 Q HA 0.087 4.427 4.340 -0.000 0.000 0.276 590 Q C -0.051 175.986 176.000 0.061 0.000 1.059 590 Q CA 0.192 56.060 55.803 0.108 0.000 0.923 590 Q CB 1.019 29.858 28.738 0.168 0.000 1.283 590 Q HN 0.135 nan 8.270 nan 0.000 0.447 591 L N 2.498 123.732 121.223 0.019 0.000 2.315 591 L HA 0.104 4.444 4.340 -0.000 0.000 0.283 591 L C -0.198 176.467 176.870 -0.341 0.000 1.089 591 L CA -0.224 54.515 54.840 -0.169 0.000 0.833 591 L CB 0.818 42.683 42.059 -0.324 0.000 1.170 591 L HN 0.818 nan 8.230 nan 0.000 0.442 592 D N 4.182 124.413 120.400 -0.283 0.000 2.416 592 D HA -0.024 4.616 4.640 -0.000 0.000 0.240 592 D C 0.555 176.387 176.300 -0.780 0.000 1.250 592 D CA -0.086 53.619 54.000 -0.491 0.000 0.967 592 D CB 0.336 41.003 40.800 -0.221 0.000 1.059 592 D HN 0.382 nan 8.370 nan 0.000 0.512 593 W N 1.994 122.827 121.300 -0.779 0.000 2.825 593 W HA -0.017 4.643 4.660 0.000 0.000 0.243 593 W C 1.583 177.783 176.519 -0.532 0.000 1.293 593 W CA -0.300 56.673 57.345 -0.620 0.000 1.403 593 W CB 0.342 29.537 29.460 -0.442 0.000 1.134 593 W HN 0.325 nan 8.180 nan 0.000 0.666 594 D N -0.426 119.757 120.400 -0.363 0.000 2.162 594 D HA -0.100 4.540 4.640 -0.000 0.000 0.203 594 D C 2.114 178.252 176.300 -0.270 0.000 0.967 594 D CA 0.984 54.864 54.000 -0.200 0.000 0.840 594 D CB -0.258 40.491 40.800 -0.085 0.000 0.972 594 D HN 0.148 nan 8.370 nan 0.000 0.482 595 R N 0.709 120.990 120.500 -0.365 0.000 2.115 595 R HA -0.020 4.320 4.340 -0.000 0.000 0.226 595 R C 2.158 178.161 176.300 -0.494 0.000 1.100 595 R CA 0.590 56.514 56.100 -0.294 0.000 0.980 595 R CB 0.116 30.325 30.300 -0.152 0.000 0.875 595 R HN -0.071 nan 8.270 nan 0.000 0.445 596 R N 1.116 120.976 120.500 -1.066 0.000 2.152 596 R HA -0.143 4.197 4.340 -0.000 0.000 0.232 596 R C 1.436 177.550 176.300 -0.311 0.000 1.117 596 R CA 1.747 57.243 56.100 -1.006 0.000 0.981 596 R CB -0.142 29.520 30.300 -1.063 0.000 0.870 596 R HN 0.412 nan 8.270 nan 0.000 0.451 597 E N -0.590 119.448 120.200 -0.270 0.000 2.028 597 E HA -0.086 4.264 4.350 -0.000 0.000 0.190 597 E C 1.518 178.009 176.600 -0.182 0.000 0.984 597 E CA 1.668 57.976 56.400 -0.154 0.000 0.800 597 E CB 0.078 29.695 29.700 -0.138 0.000 0.758 597 E HN 0.287 nan 8.360 nan 0.000 0.448 598 T N 0.272 114.643 114.554 -0.305 0.000 2.759 598 T HA -0.151 4.199 4.350 -0.000 0.000 0.269 598 T C 0.624 174.954 174.700 -0.616 0.000 1.042 598 T CA 1.125 62.907 62.100 -0.530 0.000 1.140 598 T CB -0.191 68.178 68.868 -0.831 0.000 0.864 598 T HN 0.104 nan 8.240 nan 0.000 0.455 599 F N 1.744 121.691 119.950 -0.005 0.000 2.925 599 F HA 0.337 4.864 4.527 -0.000 0.000 0.302 599 F C 1.539 177.406 175.800 0.111 0.000 1.189 599 F CA -1.128 56.933 58.000 0.102 0.000 1.346 599 F CB -0.232 38.909 39.000 0.235 0.000 0.954 599 F HN 0.124 nan 8.300 nan 0.000 0.506 600 K N -0.492 119.998 120.400 0.150 0.000 2.113 600 K HA -0.203 4.117 4.320 -0.000 0.000 0.208 600 K C 1.187 177.917 176.600 0.216 0.000 1.047 600 K CA 1.659 58.047 56.287 0.167 0.000 0.928 600 K CB -0.140 32.416 32.500 0.094 0.000 0.716 600 K HN 0.147 nan 8.250 nan 0.000 0.446 601 E N 1.711 122.028 120.200 0.194 0.000 2.077 601 E HA -0.153 4.197 4.350 -0.000 0.000 0.193 601 E C 1.768 178.546 176.600 0.297 0.000 0.989 601 E CA 1.224 57.742 56.400 0.197 0.000 0.800 601 E CB -0.291 29.492 29.700 0.138 0.000 0.746 601 E HN 0.489 nan 8.360 nan 0.000 0.452 602 D N 0.326 120.930 120.400 0.339 0.000 2.183 602 D HA -0.073 4.567 4.640 -0.000 0.000 0.203 602 D C 2.022 178.487 176.300 0.275 0.000 0.969 602 D CA 0.537 54.742 54.000 0.342 0.000 0.842 602 D CB 0.262 41.322 40.800 0.434 0.000 0.957 602 D HN 0.025 nan 8.370 nan 0.000 0.484 603 V N 1.326 121.397 119.914 0.262 0.000 2.427 603 V HA -0.205 3.915 4.120 -0.000 0.000 0.248 603 V C 2.422 178.629 176.094 0.189 0.000 1.051 603 V CA 1.316 63.745 62.300 0.214 0.000 1.048 603 V CB -0.621 31.384 31.823 0.303 0.000 0.666 603 V HN 0.346 nan 8.190 nan 0.000 0.456 604 H N -0.790 118.366 119.070 0.144 0.000 2.387 604 H HA -0.262 4.294 4.556 -0.000 0.000 0.299 604 H C 2.268 177.656 175.328 0.100 0.000 1.099 604 H CA 2.413 58.520 56.048 0.098 0.000 1.315 604 H CB -0.194 29.636 29.762 0.114 0.000 1.380 604 H HN 0.563 nan 8.280 nan 0.000 0.513 605 Y N 0.793 121.199 120.300 0.177 0.000 2.181 605 Y HA -0.200 4.350 4.550 -0.000 0.000 0.288 605 Y C 2.473 178.387 175.900 0.024 0.000 1.146 605 Y CA 1.703 59.890 58.100 0.146 0.000 1.164 605 Y CB -0.243 38.352 38.460 0.225 0.000 0.982 605 Y HN 0.098 nan 8.280 nan 0.000 0.515 606 I N 0.235 120.796 120.570 -0.014 0.000 2.252 606 I HA -0.266 3.904 4.170 -0.000 0.000 0.245 606 I C 2.653 178.635 176.117 -0.225 0.000 1.102 606 I CA 1.495 62.709 61.300 -0.144 0.000 1.385 606 I CB -0.546 37.414 38.000 -0.067 0.000 1.064 606 I HN 0.106 nan 8.210 nan 0.000 0.414 607 R N 0.975 121.341 120.500 -0.223 0.000 2.091 607 R HA -0.157 4.183 4.340 -0.000 0.000 0.238 607 R C 2.403 178.482 176.300 -0.369 0.000 1.136 607 R CA 1.452 57.383 56.100 -0.281 0.000 0.959 607 R CB -0.111 30.020 30.300 -0.281 0.000 0.856 607 R HN 0.271 nan 8.270 nan 0.000 0.437 608 R N 0.199 120.394 120.500 -0.507 0.000 2.115 608 R HA -0.052 4.288 4.340 -0.000 0.000 0.226 608 R C 2.351 178.284 176.300 -0.612 0.000 1.100 608 R CA 0.979 56.664 56.100 -0.693 0.000 0.980 608 R CB -0.215 29.443 30.300 -1.069 0.000 0.875 608 R HN 0.317 nan 8.270 nan 0.000 0.445 609 L N 0.290 121.241 121.223 -0.452 0.000 2.093 609 L HA -0.128 4.212 4.340 -0.000 0.000 0.208 609 L C 2.329 179.069 176.870 -0.217 0.000 1.085 609 L CA 1.087 55.775 54.840 -0.253 0.000 0.755 609 L CB -0.294 41.607 42.059 -0.263 0.000 0.904 609 L HN 0.128 nan 8.230 nan 0.000 0.435 610 I N -0.955 119.483 120.570 -0.220 0.000 2.315 610 I HA -0.252 3.918 4.170 -0.000 0.000 0.248 610 I C 2.572 178.593 176.117 -0.160 0.000 1.117 610 I CA 0.973 62.173 61.300 -0.168 0.000 1.404 610 I CB -0.185 37.719 38.000 -0.160 0.000 1.071 610 I HN 0.146 nan 8.210 nan 0.000 0.419 611 S N 0.749 116.330 115.700 -0.199 0.000 2.382 611 S HA -0.159 4.311 4.470 -0.000 0.000 0.228 611 S C 1.900 176.416 174.600 -0.140 0.000 1.027 611 S CA 1.150 59.243 58.200 -0.178 0.000 0.991 611 S CB -0.328 62.742 63.200 -0.216 0.000 0.823 611 S HN 0.275 nan 8.310 nan 0.000 0.469 612 L N 2.098 123.250 121.223 -0.119 0.000 1.994 612 L HA -0.024 4.316 4.340 -0.000 0.000 0.208 612 L C 2.386 179.258 176.870 0.003 0.000 1.071 612 L CA 1.772 56.622 54.840 0.018 0.000 0.745 612 L CB -0.560 41.553 42.059 0.090 0.000 0.892 612 L HN 0.152 nan 8.230 nan 0.000 0.431 613 R N -0.387 120.036 120.500 -0.128 0.000 2.103 613 R HA -0.258 4.082 4.340 -0.000 0.000 0.242 613 R C 2.469 178.779 176.300 0.016 0.000 1.142 613 R CA 2.150 58.202 56.100 -0.081 0.000 0.960 613 R CB -0.292 29.943 30.300 -0.108 0.000 0.858 613 R HN 0.379 nan 8.270 nan 0.000 0.439 614 K N -0.456 119.913 120.400 -0.052 0.000 2.097 614 K HA -0.085 4.234 4.320 -0.000 0.000 0.205 614 K C 1.730 178.246 176.600 -0.141 0.000 1.050 614 K CA 1.370 57.614 56.287 -0.072 0.000 0.938 614 K CB -0.076 32.373 32.500 -0.086 0.000 0.718 614 K HN 0.279 nan 8.250 nan 0.000 0.442 615 A N 0.431 123.109 122.820 -0.236 0.000 2.119 615 A HA -0.034 4.286 4.320 -0.000 0.000 0.216 615 A C 0.018 177.119 177.584 -0.804 0.000 1.152 615 A CA 0.553 52.290 52.037 -0.499 0.000 0.708 615 A CB -0.095 18.544 19.000 -0.601 0.000 0.805 615 A HN 0.306 nan 8.150 nan 0.000 0.460 616 H N -1.275 117.739 119.070 -0.093 0.000 2.887 616 H HA 0.242 4.798 4.556 -0.000 0.000 0.300 616 H C -2.346 173.009 175.328 0.044 0.000 1.038 616 H CA -1.889 54.113 56.048 -0.076 0.000 1.352 616 H CB 1.257 31.000 29.762 -0.033 0.000 1.473 616 H HN 0.088 nan 8.280 nan 0.000 0.503 617 P HA -0.109 nan 4.420 nan 0.000 0.223 617 P C 1.459 178.757 177.300 -0.003 0.000 1.144 617 P CA 1.002 64.105 63.100 0.005 0.000 0.783 617 P CB 0.305 31.968 31.700 -0.061 0.000 0.771 618 A N -1.255 121.540 122.820 -0.041 0.000 2.024 618 A HA -0.172 4.148 4.320 -0.000 0.000 0.220 618 A C 1.531 179.015 177.584 -0.165 0.000 1.164 618 A CA 1.356 53.297 52.037 -0.160 0.000 0.643 618 A CB -1.657 17.191 19.000 -0.253 0.000 0.806 618 A HN 0.152 nan 8.150 nan 0.000 0.451 619 F N -0.758 119.246 119.950 0.089 0.000 2.797 619 F HA 0.174 4.701 4.527 -0.000 0.000 0.302 619 F C 1.457 177.301 175.800 0.073 0.000 1.130 619 F CA 0.523 58.590 58.000 0.110 0.000 1.387 619 F CB 0.207 39.285 39.000 0.130 0.000 1.107 619 F HN 0.055 nan 8.300 nan 0.000 0.577 620 R N 0.371 120.972 120.500 0.167 0.000 2.834 620 R HA 0.212 4.552 4.340 -0.000 0.000 0.362 620 R C -0.853 175.452 176.300 0.009 0.000 1.147 620 R CA -0.573 55.587 56.100 0.099 0.000 1.125 620 R CB 0.387 30.738 30.300 0.085 0.000 1.361 620 R HN -0.069 nan 8.270 nan 0.000 0.598 621 L N 1.506 122.727 121.223 -0.003 0.000 2.514 621 L HA 0.021 4.361 4.340 -0.000 0.000 0.280 621 L C 1.717 178.550 176.870 -0.062 0.000 1.223 621 L CA 0.682 55.487 54.840 -0.059 0.000 0.864 621 L CB 0.317 42.351 42.059 -0.041 0.000 1.118 621 L HN 0.194 nan 8.230 nan 0.000 0.494 622 R N 0.929 121.349 120.500 -0.134 0.000 2.236 622 R HA 0.076 4.416 4.340 -0.000 0.000 0.208 622 R C 0.327 176.603 176.300 -0.041 0.000 1.036 622 R CA 0.537 56.513 56.100 -0.207 0.000 1.001 622 R CB -0.060 30.036 30.300 -0.340 0.000 0.896 622 R HN 0.788 nan 8.270 nan 0.000 0.464 623 S N -2.671 113.027 115.700 -0.004 0.000 2.625 623 S HA 0.546 5.016 4.470 -0.000 0.000 0.271 623 S C 0.513 175.144 174.600 0.052 0.000 1.161 623 S CA -0.325 57.900 58.200 0.041 0.000 0.820 623 S CB 1.733 64.954 63.200 0.035 0.000 1.137 623 S HN -0.027 nan 8.310 nan 0.000 0.470 624 A N 0.957 123.817 122.820 0.066 0.000 1.972 624 A HA 0.273 4.593 4.320 -0.000 0.000 0.219 624 A C 2.242 179.869 177.584 0.073 0.000 1.169 624 A CA 1.950 54.032 52.037 0.076 0.000 0.635 624 A CB -1.528 17.520 19.000 0.079 0.000 0.810 624 A HN 1.516 nan 8.150 nan 0.000 0.446 625 A N -0.105 122.751 122.820 0.060 0.000 1.898 625 A HA -0.154 4.166 4.320 -0.000 0.000 0.216 625 A C 1.812 179.438 177.584 0.071 0.000 1.181 625 A CA 1.674 53.746 52.037 0.058 0.000 0.620 625 A CB -0.469 18.559 19.000 0.046 0.000 0.819 625 A HN 0.466 nan 8.150 nan 0.000 0.442 626 D N 0.008 120.445 120.400 0.062 0.000 2.144 626 D HA -0.093 4.547 4.640 -0.000 0.000 0.200 626 D C 1.892 178.264 176.300 0.120 0.000 0.978 626 D CA 1.108 55.155 54.000 0.078 0.000 0.833 626 D CB -0.241 40.553 40.800 -0.009 0.000 0.961 626 D HN 0.517 nan 8.370 nan 0.000 0.470 627 I N 0.692 121.314 120.570 0.087 0.000 2.226 627 I HA -0.276 3.894 4.170 -0.000 0.000 0.245 627 I C 2.442 178.639 176.117 0.133 0.000 1.100 627 I CA 0.843 62.206 61.300 0.105 0.000 1.374 627 I CB -0.115 37.947 38.000 0.104 0.000 1.057 627 I HN -0.086 nan 8.210 nan 0.000 0.413 628 Q N 1.037 120.909 119.800 0.120 0.000 2.291 628 Q HA -0.204 4.136 4.340 -0.000 0.000 0.206 628 Q C 2.121 178.181 176.000 0.100 0.000 0.976 628 Q CA 1.529 57.398 55.803 0.110 0.000 0.875 628 Q CB -0.199 28.585 28.738 0.078 0.000 0.927 628 Q HN 0.326 nan 8.270 nan 0.000 0.450 629 R N -1.992 118.558 120.500 0.084 0.000 2.290 629 R HA 0.037 4.377 4.340 -0.000 0.000 0.197 629 R C 0.387 176.445 176.300 -0.404 0.000 0.913 629 R CA 0.557 56.636 56.100 -0.036 0.000 1.040 629 R CB 0.293 30.593 30.300 0.001 0.000 0.992 629 R HN 0.339 nan 8.270 nan 0.000 0.500 630 H N -1.194 117.706 119.070 -0.283 0.000 3.233 630 H HA 0.288 4.844 4.556 -0.000 0.000 0.263 630 H C -0.822 174.261 175.328 -0.408 0.000 1.168 630 H CA -0.191 55.466 56.048 -0.652 0.000 1.159 630 H CB 1.139 30.680 29.762 -0.368 0.000 1.593 630 H HN -0.018 nan 8.280 nan 0.000 0.580 631 L N 1.947 123.224 121.223 0.090 0.000 2.385 631 L HA 0.466 4.806 4.340 -0.000 0.000 0.273 631 L C -1.198 175.929 176.870 0.429 0.000 0.990 631 L CA -0.627 54.384 54.840 0.285 0.000 0.821 631 L CB 1.815 44.009 42.059 0.225 0.000 1.279 631 L HN 0.277 nan 8.230 nan 0.000 0.412 632 E N 4.035 124.520 120.200 0.476 0.000 2.343 632 E HA 0.276 4.626 4.350 -0.000 0.000 0.278 632 E C -1.715 175.130 176.600 0.407 0.000 0.910 632 E CA -0.903 55.747 56.400 0.416 0.000 0.757 632 E CB 1.806 31.683 29.700 0.296 0.000 1.218 632 E HN 0.630 nan 8.360 nan 0.000 0.435 633 C N 3.356 122.933 119.300 0.462 0.000 2.536 633 C HA 0.368 4.828 4.460 -0.000 0.000 0.396 633 C C 0.820 175.985 174.990 0.292 0.000 1.279 633 C CA -0.311 58.950 59.018 0.405 0.000 2.148 633 C CB -0.019 28.038 27.740 0.528 0.000 2.584 633 C HN 0.851 nan 8.230 nan 0.000 0.579 634 L N 3.311 124.698 121.223 0.273 0.000 2.624 634 L HA 0.399 4.739 4.340 -0.000 0.000 0.222 634 L C 0.986 178.013 176.870 0.261 0.000 1.046 634 L CA 1.265 56.256 54.840 0.253 0.000 0.872 634 L CB -0.014 42.240 42.059 0.325 0.000 1.190 634 L HN 0.795 nan 8.230 nan 0.000 0.487 635 T N 0.050 114.771 114.554 0.279 0.000 2.993 635 T HA 0.554 4.904 4.350 -0.000 0.000 0.312 635 T C -1.292 173.527 174.700 0.198 0.000 1.115 635 T CA -0.188 62.071 62.100 0.266 0.000 1.027 635 T CB 2.287 71.411 68.868 0.427 0.000 1.116 635 T HN -0.103 nan 8.240 nan 0.000 0.464 636 L N 3.272 124.596 121.223 0.168 0.000 2.573 636 L HA 0.537 4.877 4.340 -0.000 0.000 0.260 636 L C -0.999 175.948 176.870 0.129 0.000 0.997 636 L CA -0.456 54.463 54.840 0.131 0.000 0.890 636 L CB 0.738 42.869 42.059 0.120 0.000 1.179 636 L HN 0.531 nan 8.230 nan 0.000 0.439 637 K N 1.252 121.744 120.400 0.154 0.000 2.331 637 K HA 0.327 4.647 4.320 -0.000 0.000 0.238 637 K C 0.688 177.391 176.600 0.172 0.000 1.058 637 K CA -0.627 55.748 56.287 0.147 0.000 0.871 637 K CB 1.427 34.021 32.500 0.157 0.000 1.292 637 K HN 0.524 nan 8.250 nan 0.000 0.470 638 E N 0.376 120.629 120.200 0.088 0.000 2.160 638 E HA -0.254 4.096 4.350 -0.000 0.000 0.195 638 E C 0.607 177.136 176.600 -0.117 0.000 0.991 638 E CA 1.567 57.937 56.400 -0.049 0.000 0.810 638 E CB -0.071 29.493 29.700 -0.226 0.000 0.742 638 E HN 0.480 nan 8.360 nan 0.000 0.466 639 H N -0.727 118.490 119.070 0.246 0.000 3.078 639 H HA 0.336 4.892 4.556 -0.000 0.000 0.263 639 H C -0.292 175.249 175.328 0.355 0.000 1.177 639 H CA -0.289 55.853 56.048 0.157 0.000 1.128 639 H CB 1.156 30.979 29.762 0.102 0.000 1.623 639 H HN 0.107 nan 8.280 nan 0.000 0.592 640 L N 1.609 123.132 121.223 0.499 0.000 2.436 640 L HA 0.510 4.850 4.340 -0.000 0.000 0.268 640 L C -1.247 175.817 176.870 0.324 0.000 0.974 640 L CA -0.555 54.521 54.840 0.394 0.000 0.826 640 L CB 2.145 44.313 42.059 0.181 0.000 1.291 640 L HN 0.007 nan 8.230 nan 0.000 0.406 641 I N 3.884 124.617 120.570 0.272 0.000 2.569 641 I HA 0.668 4.838 4.170 -0.000 0.000 0.290 641 I C -0.509 175.644 176.117 0.061 0.000 1.088 641 I CA -0.591 60.788 61.300 0.131 0.000 1.047 641 I CB 2.194 40.201 38.000 0.011 0.000 1.237 641 I HN 0.752 nan 8.210 nan 0.000 0.421 642 A N 6.153 129.007 122.820 0.056 0.000 2.408 642 A HA 0.804 5.124 4.320 -0.000 0.000 0.295 642 A C -1.472 176.186 177.584 0.124 0.000 1.040 642 A CA -0.415 51.577 52.037 -0.075 0.000 0.707 642 A CB 1.073 19.886 19.000 -0.312 0.000 1.235 642 A HN 0.685 nan 8.150 nan 0.000 0.418 643 Y N 0.240 120.522 120.300 -0.030 0.000 2.634 643 Y HA 0.923 5.473 4.550 -0.000 0.000 0.340 643 Y C -0.397 175.548 175.900 0.075 0.000 1.058 643 Y CA -1.460 56.676 58.100 0.061 0.000 1.081 643 Y CB 1.238 39.730 38.460 0.054 0.000 1.295 643 Y HN 0.848 nan 8.280 nan 0.000 0.487 644 R N 0.859 121.491 120.500 0.221 0.000 2.740 644 R HA 0.716 5.056 4.340 -0.000 0.000 0.273 644 R C -2.455 174.026 176.300 0.301 0.000 0.998 644 R CA -0.832 55.354 56.100 0.143 0.000 0.900 644 R CB 1.280 31.675 30.300 0.158 0.000 1.223 644 R HN 0.569 nan 8.270 nan 0.000 0.466 645 L N 3.375 124.719 121.223 0.201 0.000 2.296 645 L HA 0.551 4.891 4.340 -0.000 0.000 0.286 645 L C -0.699 176.305 176.870 0.223 0.000 1.023 645 L CA -0.756 54.181 54.840 0.162 0.000 0.812 645 L CB 0.493 42.543 42.059 -0.014 0.000 1.223 645 L HN 0.864 nan 8.230 nan 0.000 0.421 646 Y N -0.498 119.886 120.300 0.140 0.000 2.705 646 Y HA 0.555 5.105 4.550 -0.000 0.000 0.332 646 Y C 0.254 176.240 175.900 0.143 0.000 1.157 646 Y CA -1.453 56.721 58.100 0.124 0.000 1.091 646 Y CB 0.933 39.445 38.460 0.086 0.000 1.301 646 Y HN 0.561 nan 8.280 nan 0.000 0.488 647 D N 0.790 121.309 120.400 0.198 0.000 2.723 647 D HA -0.156 4.484 4.640 -0.000 0.000 0.236 647 D C -0.875 175.545 176.300 0.199 0.000 1.138 647 D CA 0.837 54.898 54.000 0.101 0.000 0.676 647 D CB -0.616 40.072 40.800 -0.187 0.000 1.069 647 D HN 0.682 nan 8.370 nan 0.000 0.430 648 L N 0.364 121.693 121.223 0.177 0.000 2.865 648 L HA 0.229 4.569 4.340 -0.000 0.000 0.233 648 L C 1.329 178.257 176.870 0.096 0.000 1.320 648 L CA -0.707 54.211 54.840 0.130 0.000 1.225 648 L CB 0.307 42.425 42.059 0.098 0.000 1.542 648 L HN -0.157 nan 8.230 nan 0.000 0.432 649 D N 0.407 120.865 120.400 0.097 0.000 2.096 649 D HA -0.127 4.513 4.640 -0.000 0.000 0.207 649 D C 1.836 178.161 176.300 0.041 0.000 0.976 649 D CA 1.121 55.163 54.000 0.070 0.000 0.875 649 D CB 0.241 41.082 40.800 0.067 0.000 1.009 649 D HN 0.289 nan 8.370 nan 0.000 0.449 650 E N 0.801 121.019 120.200 0.029 0.000 2.153 650 E HA -0.098 4.252 4.350 -0.000 0.000 0.194 650 E C 2.303 178.890 176.600 -0.022 0.000 0.988 650 E CA 0.329 56.731 56.400 0.003 0.000 0.811 650 E CB -0.535 29.164 29.700 -0.001 0.000 0.746 650 E HN 0.179 nan 8.360 nan 0.000 0.466 651 V N 1.704 121.597 119.914 -0.035 0.000 2.244 651 V HA -0.173 3.947 4.120 -0.000 0.000 0.235 651 V C 1.410 177.472 176.094 -0.054 0.000 1.026 651 V CA 1.625 63.878 62.300 -0.078 0.000 0.990 651 V CB -0.351 31.388 31.823 -0.140 0.000 0.640 651 V HN 0.217 nan 8.190 nan 0.000 0.463 652 D N -1.236 119.150 120.400 -0.024 0.000 2.388 652 D HA 0.120 4.760 4.640 -0.000 0.000 0.254 652 D C 1.003 177.315 176.300 0.020 0.000 1.111 652 D CA -0.244 53.753 54.000 -0.004 0.000 0.993 652 D CB 1.999 42.817 40.800 0.031 0.000 1.118 652 D HN 0.409 nan 8.370 nan 0.000 0.502 653 E N 1.038 121.225 120.200 -0.021 0.000 2.216 653 E HA -0.063 4.287 4.350 -0.000 0.000 0.192 653 E C -0.118 176.585 176.600 0.172 0.000 0.988 653 E CA 0.400 56.793 56.400 -0.013 0.000 0.834 653 E CB 0.294 29.894 29.700 -0.167 0.000 0.772 653 E HN 0.324 nan 8.360 nan 0.000 0.479 654 W N 1.177 122.539 121.300 0.104 0.000 2.448 654 W HA 0.313 4.973 4.660 -0.000 0.000 0.339 654 W C 1.128 177.683 176.519 0.060 0.000 1.124 654 W CA -1.040 56.349 57.345 0.074 0.000 1.262 654 W CB 1.064 30.535 29.460 0.018 0.000 1.251 654 W HN -0.119 nan 8.180 nan 0.000 0.597 655 K N 0.205 120.777 120.400 0.286 0.000 2.044 655 K HA -0.075 4.245 4.320 -0.000 0.000 0.204 655 K C -0.209 176.499 176.600 0.180 0.000 1.049 655 K CA 1.069 57.461 56.287 0.175 0.000 0.945 655 K CB 0.172 32.731 32.500 0.099 0.000 0.724 655 K HN 0.260 nan 8.250 nan 0.000 0.440 656 D N -0.600 119.903 120.400 0.172 0.000 2.879 656 D HA 0.426 5.066 4.640 -0.000 0.000 0.236 656 D C -1.533 174.908 176.300 0.234 0.000 1.171 656 D CA -0.490 53.638 54.000 0.212 0.000 0.868 656 D CB 1.530 42.470 40.800 0.232 0.000 1.598 656 D HN -0.091 nan 8.370 nan 0.000 0.497 657 I N 3.444 124.141 120.570 0.212 0.000 2.534 657 I HA 0.443 4.613 4.170 -0.000 0.000 0.288 657 I C -0.615 175.547 176.117 0.074 0.000 1.077 657 I CA -0.743 60.655 61.300 0.163 0.000 1.051 657 I CB 1.964 40.029 38.000 0.108 0.000 1.234 657 I HN 0.249 nan 8.210 nan 0.000 0.425 658 I N 6.288 126.872 120.570 0.024 0.000 2.465 658 I HA 0.500 4.670 4.170 -0.000 0.000 0.291 658 I C -0.775 175.180 176.117 -0.270 0.000 1.014 658 I CA -0.972 60.246 61.300 -0.136 0.000 1.093 658 I CB 2.282 40.209 38.000 -0.122 0.000 1.267 658 I HN 0.153 nan 8.210 nan 0.000 0.431 659 V N 7.080 126.679 119.914 -0.526 0.000 2.487 659 V HA 0.508 4.627 4.120 -0.000 0.000 0.298 659 V C -0.198 175.494 176.094 -0.670 0.000 1.028 659 V CA -0.462 61.482 62.300 -0.592 0.000 0.860 659 V CB 1.930 33.309 31.823 -0.741 0.000 0.991 659 V HN 0.470 nan 8.190 nan 0.000 0.427 660 I N 4.059 124.303 120.570 -0.543 0.000 2.389 660 I HA 0.493 4.663 4.170 -0.000 0.000 0.288 660 I C -0.603 175.360 176.117 -0.256 0.000 0.999 660 I CA -0.496 60.518 61.300 -0.477 0.000 1.129 660 I CB 1.444 39.099 38.000 -0.574 0.000 1.288 660 I HN 0.624 nan 8.210 nan 0.000 0.444 661 H N 4.232 123.344 119.070 0.070 0.000 2.504 661 H HA 0.357 4.913 4.556 -0.000 0.000 0.322 661 H C -0.889 174.636 175.328 0.327 0.000 1.055 661 H CA -0.513 55.670 56.048 0.225 0.000 1.231 661 H CB 1.279 31.237 29.762 0.328 0.000 1.417 661 H HN 0.557 nan 8.280 nan 0.000 0.472 662 H N 2.328 121.550 119.070 0.254 0.000 2.466 662 H HA 0.509 5.065 4.556 -0.000 0.000 0.338 662 H C -0.575 174.789 175.328 0.060 0.000 1.091 662 H CA -0.885 55.254 56.048 0.151 0.000 1.207 662 H CB 1.213 31.017 29.762 0.071 0.000 1.466 662 H HN 0.802 nan 8.280 nan 0.000 0.493 663 A N 4.042 126.854 122.820 -0.012 0.000 2.630 663 A HA 0.218 4.538 4.320 -0.000 0.000 0.290 663 A C -0.394 176.947 177.584 -0.405 0.000 1.267 663 A CA -0.027 51.836 52.037 -0.290 0.000 0.950 663 A CB -0.130 18.519 19.000 -0.586 0.000 1.144 663 A HN 0.551 nan 8.150 nan 0.000 0.527 664 S N -1.151 114.141 115.700 -0.681 0.000 2.569 664 S HA 0.635 5.105 4.470 -0.000 0.000 0.280 664 S C -2.444 171.814 174.600 -0.571 0.000 1.111 664 S CA -1.166 56.681 58.200 -0.589 0.000 0.887 664 S CB 2.112 65.008 63.200 -0.508 0.000 1.095 664 S HN 0.001 nan 8.310 nan 0.000 0.476 665 P HA 0.001 nan 4.420 nan 0.000 0.229 665 P C 0.050 177.295 177.300 -0.092 0.000 1.160 665 P CA 0.708 63.695 63.100 -0.189 0.000 0.777 665 P CB -0.557 31.062 31.700 -0.135 0.000 0.814 666 D N 0.108 120.479 120.400 -0.048 0.000 2.372 666 D HA 0.141 4.781 4.640 -0.000 0.000 0.243 666 D C -0.171 176.218 176.300 0.148 0.000 1.297 666 D CA -0.381 53.649 54.000 0.049 0.000 0.958 666 D CB -0.017 40.820 40.800 0.061 0.000 1.114 666 D HN -0.196 nan 8.370 nan 0.000 0.496 667 S N -0.940 114.828 115.700 0.114 0.000 2.502 667 S HA 0.614 5.083 4.470 -0.000 0.000 0.304 667 S C -0.723 173.922 174.600 0.075 0.000 1.097 667 S CA -0.597 57.668 58.200 0.107 0.000 1.045 667 S CB 0.273 63.510 63.200 0.063 0.000 1.019 667 S HN 0.694 nan 8.310 nan 0.000 0.481 668 V N 1.904 121.845 119.914 0.045 0.000 3.167 668 V HA 0.834 4.954 4.120 -0.000 0.000 0.310 668 V C -1.042 175.071 176.094 0.032 0.000 1.207 668 V CA -1.027 61.285 62.300 0.019 0.000 1.059 668 V CB 1.764 33.575 31.823 -0.020 0.000 1.079 668 V HN 0.706 nan 8.190 nan 0.000 0.446 669 E N 0.489 120.719 120.200 0.050 0.000 2.195 669 E HA 0.606 4.956 4.350 -0.000 0.000 0.271 669 E C -1.920 174.762 176.600 0.138 0.000 0.923 669 E CA -0.348 56.095 56.400 0.072 0.000 0.790 669 E CB 1.888 31.608 29.700 0.033 0.000 1.155 669 E HN 0.797 nan 8.360 nan 0.000 0.402 670 W N 4.481 125.747 121.300 -0.057 0.000 2.781 670 W HA 0.462 5.122 4.660 -0.000 0.000 0.333 670 W C -1.040 175.439 176.519 -0.067 0.000 1.047 670 W CA -0.998 56.309 57.345 -0.062 0.000 1.236 670 W CB 1.137 30.553 29.460 -0.072 0.000 1.394 670 W HN 0.393 nan 8.180 nan 0.000 0.466 671 R N 4.584 124.639 120.500 -0.741 0.000 2.267 671 R HA 0.448 4.788 4.340 -0.000 0.000 0.319 671 R C -0.867 174.744 176.300 -1.149 0.000 1.067 671 R CA -0.248 55.430 56.100 -0.702 0.000 0.936 671 R CB 0.253 30.256 30.300 -0.495 0.000 1.006 671 R HN 0.566 nan 8.270 nan 0.000 0.452 672 L N 7.328 128.154 121.223 -0.662 0.000 2.452 672 L HA 0.256 4.596 4.340 -0.000 0.000 0.267 672 L C -1.146 175.470 176.870 -0.423 0.000 1.188 672 L CA -1.079 53.433 54.840 -0.546 0.000 0.821 672 L CB 0.706 42.595 42.059 -0.283 0.000 1.102 672 L HN 0.710 nan 8.230 nan 0.000 0.470 673 P HA -0.037 nan 4.420 nan 0.000 0.247 673 P C -0.994 176.239 177.300 -0.111 0.000 1.225 673 P CA 0.563 63.557 63.100 -0.178 0.000 0.768 673 P CB -0.150 31.497 31.700 -0.089 0.000 1.020 674 N N -1.769 116.867 118.700 -0.106 0.000 3.308 674 N HA 0.145 4.885 4.740 -0.000 0.000 0.276 674 N C -0.931 174.562 175.510 -0.029 0.000 1.533 674 N CA -0.672 52.353 53.050 -0.040 0.000 0.878 674 N CB -0.293 38.210 38.487 0.028 0.000 1.566 674 N HN -0.440 nan 8.380 nan 0.000 0.546 675 D N -0.581 119.823 120.400 0.007 0.000 2.402 675 D HA 0.371 5.011 4.640 -0.000 0.000 0.216 675 D C -0.246 176.086 176.300 0.052 0.000 1.128 675 D CA -0.116 53.891 54.000 0.011 0.000 0.833 675 D CB 0.097 40.893 40.800 -0.006 0.000 0.971 675 D HN 0.460 nan 8.370 nan 0.000 0.503 676 I N 1.598 122.234 120.570 0.110 0.000 2.575 676 I HA 0.170 4.340 4.170 -0.000 0.000 0.285 676 I C -2.038 174.192 176.117 0.190 0.000 1.085 676 I CA -1.872 59.497 61.300 0.114 0.000 1.403 676 I CB 0.733 38.793 38.000 0.100 0.000 1.409 676 I HN -0.309 nan 8.210 nan 0.000 0.557 677 P HA 0.176 nan 4.420 nan 0.000 0.276 677 P C -1.318 176.000 177.300 0.029 0.000 1.235 677 P CA 0.202 63.347 63.100 0.075 0.000 0.772 677 P CB 0.394 32.091 31.700 -0.006 0.000 0.871 678 Y N 1.435 121.656 120.300 -0.132 0.000 2.650 678 Y HA 0.530 5.080 4.550 -0.000 0.000 0.331 678 Y C 0.937 176.654 175.900 -0.304 0.000 1.082 678 Y CA -0.748 57.218 58.100 -0.223 0.000 1.171 678 Y CB 1.371 39.725 38.460 -0.177 0.000 1.326 678 Y HN 0.070 nan 8.280 nan 0.000 0.513 679 R N 1.748 122.007 120.500 -0.401 0.000 2.393 679 R HA 0.293 4.633 4.340 -0.000 0.000 0.310 679 R C -1.202 174.907 176.300 -0.318 0.000 0.968 679 R CA -0.894 54.907 56.100 -0.500 0.000 0.867 679 R CB 1.477 31.136 30.300 -1.069 0.000 1.124 679 R HN 0.476 nan 8.270 nan 0.000 0.450 680 L N 6.019 127.165 121.223 -0.128 0.000 2.312 680 L HA 0.066 4.406 4.340 -0.000 0.000 0.287 680 L C 0.791 177.674 176.870 0.022 0.000 1.091 680 L CA 0.275 55.090 54.840 -0.043 0.000 0.846 680 L CB 0.498 42.548 42.059 -0.015 0.000 1.219 680 L HN 0.585 nan 8.230 nan 0.000 0.439 681 L N 5.481 126.747 121.223 0.071 0.000 2.249 681 L HA 0.136 4.476 4.340 -0.000 0.000 0.207 681 L C 0.281 177.155 176.870 0.006 0.000 1.090 681 L CA 0.705 55.648 54.840 0.171 0.000 0.802 681 L CB 0.577 42.826 42.059 0.316 0.000 0.947 681 L HN 0.721 nan 8.230 nan 0.000 0.453 682 C N 0.361 119.596 119.300 -0.109 0.000 3.239 682 C HA 0.589 5.049 4.460 -0.000 0.000 0.329 682 C C -1.729 173.189 174.990 -0.120 0.000 1.252 682 C CA -0.600 58.268 59.018 -0.251 0.000 1.323 682 C CB 1.298 28.616 27.740 -0.702 0.000 1.663 682 C HN 0.680 nan 8.230 nan 0.000 0.487 683 D N 2.381 122.741 120.400 -0.067 0.000 2.643 683 D HA 0.481 5.121 4.640 -0.000 0.000 0.283 683 D C -2.537 173.766 176.300 0.005 0.000 1.242 683 D CA -1.159 52.830 54.000 -0.018 0.000 0.863 683 D CB 0.570 41.370 40.800 -0.000 0.000 1.382 683 D HN 0.167 nan 8.370 nan 0.000 0.444 684 P HA -0.122 nan 4.420 nan 0.000 0.222 684 P C 0.714 177.999 177.300 -0.025 0.000 1.139 684 P CA 1.532 64.635 63.100 0.006 0.000 0.790 684 P CB 0.158 31.873 31.700 0.025 0.000 0.757 685 S N -2.136 113.563 115.700 -0.002 0.000 2.421 685 S HA 0.374 4.843 4.470 -0.000 0.000 0.224 685 S C 1.164 175.776 174.600 0.021 0.000 1.035 685 S CA 0.716 58.920 58.200 0.007 0.000 0.953 685 S CB -0.041 63.179 63.200 0.034 0.000 0.810 685 S HN 0.406 nan 8.310 nan 0.000 0.497 686 G N 0.511 109.351 108.800 0.067 0.000 2.369 686 G HA2 0.251 4.210 3.960 -0.000 0.000 0.295 686 G HA3 0.251 4.210 3.960 -0.000 0.000 0.295 686 G C -1.237 173.822 174.900 0.264 0.000 1.298 686 G CA -1.230 44.011 45.100 0.235 0.000 0.940 686 G HN 0.083 nan 8.290 nan 0.000 0.536 687 F N 1.116 121.239 119.950 0.289 0.000 2.539 687 F HA 0.418 4.945 4.527 -0.000 0.000 0.340 687 F C 1.180 177.086 175.800 0.176 0.000 1.185 687 F CA 0.306 58.441 58.000 0.225 0.000 1.333 687 F CB 0.740 39.871 39.000 0.218 0.000 1.152 687 F HN 0.194 nan 8.300 nan 0.000 0.602 688 Q N 1.724 121.703 119.800 0.297 0.000 2.312 688 Q HA 0.242 4.582 4.340 -0.000 0.000 0.263 688 Q C -0.595 175.533 176.000 0.214 0.000 0.995 688 Q CA -0.670 55.257 55.803 0.207 0.000 0.853 688 Q CB 1.736 30.556 28.738 0.137 0.000 1.300 688 Q HN 0.568 nan 8.270 nan 0.000 0.448 689 E N 1.666 121.967 120.200 0.169 0.000 2.290 689 E HA 0.067 4.417 4.350 -0.000 0.000 0.277 689 E C -0.902 175.775 176.600 0.130 0.000 1.035 689 E CA -0.077 56.412 56.400 0.149 0.000 0.873 689 E CB 0.298 30.067 29.700 0.116 0.000 1.029 689 E HN 0.435 nan 8.360 nan 0.000 0.419 690 D N 2.405 122.888 120.400 0.138 0.000 4.028 690 D HA -0.112 4.528 4.640 -0.000 0.000 0.233 690 D C -2.549 173.819 176.300 0.113 0.000 1.080 690 D CA 0.198 54.271 54.000 0.122 0.000 1.181 690 D CB -0.638 40.217 40.800 0.091 0.000 0.815 690 D HN 0.269 nan 8.370 nan 0.000 0.401 691 P HA 0.037 nan 4.420 nan 0.000 0.262 691 P C 0.049 177.369 177.300 0.033 0.000 1.182 691 P CA 0.157 63.315 63.100 0.097 0.000 0.761 691 P CB 0.832 32.613 31.700 0.135 0.000 0.795 692 T N 2.006 116.569 114.554 0.014 0.000 2.902 692 T HA 0.243 4.593 4.350 -0.000 0.000 0.280 692 T C -0.355 174.323 174.700 -0.036 0.000 0.992 692 T CA -0.651 61.448 62.100 -0.002 0.000 1.015 692 T CB 0.488 69.363 68.868 0.011 0.000 1.044 692 T HN 0.294 nan 8.240 nan 0.000 0.520 693 E N 1.372 121.553 120.200 -0.031 0.000 2.179 693 E HA 0.501 4.851 4.350 -0.000 0.000 0.275 693 E C -0.677 175.915 176.600 -0.013 0.000 0.945 693 E CA -0.681 55.695 56.400 -0.040 0.000 0.792 693 E CB 1.283 30.957 29.700 -0.043 0.000 1.125 693 E HN 0.549 nan 8.360 nan 0.000 0.397 694 I N -0.625 119.946 120.570 0.000 0.000 3.002 694 I HA 0.566 4.736 4.170 -0.000 0.000 0.310 694 I C -0.906 175.228 176.117 0.029 0.000 1.087 694 I CA -0.845 60.462 61.300 0.012 0.000 1.017 694 I CB 1.673 39.679 38.000 0.010 0.000 1.226 694 I HN 0.227 nan 8.210 nan 0.000 0.443 695 K N 1.978 122.387 120.400 0.016 0.000 2.477 695 K HA 0.557 4.877 4.320 -0.000 0.000 0.255 695 K C -0.373 176.220 176.600 -0.011 0.000 0.952 695 K CA -0.977 55.320 56.287 0.016 0.000 0.826 695 K CB 2.215 34.723 32.500 0.013 0.000 1.331 695 K HN 0.651 nan 8.250 nan 0.000 0.437 696 K N -1.152 119.230 120.400 -0.030 0.000 7.581 696 K HA -0.300 4.020 4.320 -0.000 0.000 0.464 696 K C 0.376 176.920 176.600 -0.094 0.000 0.424 696 K CA 2.495 58.740 56.287 -0.069 0.000 1.864 696 K CB -1.347 31.119 32.500 -0.056 0.000 0.920 696 K HN 0.917 nan 8.250 nan 0.000 0.861 697 T N -2.198 112.326 114.554 -0.049 0.000 2.896 697 T HA 0.702 5.052 4.350 -0.000 0.000 0.297 697 T C -0.790 173.926 174.700 0.027 0.000 1.108 697 T CA -0.551 61.534 62.100 -0.025 0.000 1.004 697 T CB 2.646 71.496 68.868 -0.030 0.000 1.159 697 T HN 0.131 nan 8.240 nan 0.000 0.499 698 V N 0.207 120.172 119.914 0.086 0.000 3.078 698 V HA 0.873 4.993 4.120 -0.000 0.000 0.311 698 V C -0.861 175.287 176.094 0.090 0.000 1.138 698 V CA -0.709 61.641 62.300 0.083 0.000 1.007 698 V CB 1.940 33.821 31.823 0.096 0.000 1.045 698 V HN 1.535 nan 8.190 nan 0.000 0.432 699 A N 4.021 126.874 122.820 0.055 0.000 2.312 699 A HA 0.785 5.105 4.320 -0.000 0.000 0.326 699 A C -0.870 176.737 177.584 0.039 0.000 1.172 699 A CA -0.454 51.612 52.037 0.049 0.000 0.821 699 A CB 1.483 20.506 19.000 0.038 0.000 1.166 699 A HN 1.115 nan 8.150 nan 0.000 0.493 700 V N 4.381 124.316 119.914 0.034 0.000 2.266 700 V HA 0.199 4.319 4.120 -0.000 0.000 0.271 700 V C -0.717 175.441 176.094 0.107 0.000 1.032 700 V CA -0.919 61.400 62.300 0.032 0.000 0.806 700 V CB 0.430 32.205 31.823 -0.080 0.000 1.052 700 V HN 0.804 nan 8.190 nan 0.000 0.449 701 N N 4.324 123.087 118.700 0.106 0.000 2.462 701 N HA 0.548 5.288 4.740 -0.000 0.000 0.242 701 N C 0.667 176.240 175.510 0.104 0.000 1.010 701 N CA 0.611 53.725 53.050 0.106 0.000 0.939 701 N CB 1.800 40.322 38.487 0.058 0.000 1.127 701 N HN 0.909 nan 8.380 nan 0.000 0.509 702 G N 1.441 110.305 108.800 0.108 0.000 2.855 702 G HA2 -0.253 3.707 3.960 -0.000 0.000 0.352 702 G HA3 -0.253 3.707 3.960 -0.000 0.000 0.352 702 G C -0.207 174.619 174.900 -0.123 0.000 1.415 702 G CA -0.852 44.224 45.100 -0.039 0.000 0.871 702 G HN 0.570 nan 8.290 nan 0.000 0.543 703 I N 2.071 122.514 120.570 -0.210 0.000 2.668 703 I HA 0.414 4.584 4.170 -0.000 0.000 0.285 703 I C 1.369 177.458 176.117 -0.047 0.000 1.168 703 I CA 1.789 62.976 61.300 -0.189 0.000 1.424 703 I CB -0.088 37.815 38.000 -0.160 0.000 1.377 703 I HN 1.486 nan 8.210 nan 0.000 0.560 704 G N 4.233 113.052 108.800 0.032 0.000 2.345 704 G HA2 0.228 4.188 3.960 -0.000 0.000 0.285 704 G HA3 0.228 4.188 3.960 -0.000 0.000 0.285 704 G C -1.227 173.779 174.900 0.178 0.000 1.297 704 G CA -0.730 44.420 45.100 0.084 0.000 0.875 704 G HN 0.434 nan 8.290 nan 0.000 0.506 705 T N -0.377 114.284 114.554 0.178 0.000 2.876 705 T HA 0.673 5.023 4.350 -0.000 0.000 0.289 705 T C -0.961 173.769 174.700 0.049 0.000 1.014 705 T CA -0.243 61.971 62.100 0.190 0.000 0.986 705 T CB 1.809 70.871 68.868 0.324 0.000 1.021 705 T HN 1.562 nan 8.240 nan 0.000 0.458 706 V N 4.569 124.460 119.914 -0.039 0.000 2.540 706 V HA 0.745 4.865 4.120 -0.000 0.000 0.302 706 V C -1.393 174.618 176.094 -0.139 0.000 1.035 706 V CA -0.838 61.407 62.300 -0.092 0.000 0.873 706 V CB 0.985 32.747 31.823 -0.102 0.000 0.992 706 V HN 0.861 nan 8.190 nan 0.000 0.428 707 I N 7.141 127.646 120.570 -0.109 0.000 2.436 707 I HA 0.504 4.674 4.170 -0.000 0.000 0.289 707 I C -0.794 175.314 176.117 -0.015 0.000 1.010 707 I CA -0.559 60.703 61.300 -0.063 0.000 1.098 707 I CB 1.918 39.916 38.000 -0.003 0.000 1.266 707 I HN 0.439 nan 8.210 nan 0.000 0.434 708 L N 6.830 128.047 121.223 -0.010 0.000 2.362 708 L HA 0.620 4.960 4.340 -0.000 0.000 0.271 708 L C -1.098 175.848 176.870 0.127 0.000 1.002 708 L CA -0.921 53.934 54.840 0.024 0.000 0.818 708 L CB 1.826 43.867 42.059 -0.029 0.000 1.298 708 L HN 0.531 nan 8.230 nan 0.000 0.420 709 Y N 1.116 121.367 120.300 -0.081 0.000 2.597 709 Y HA 0.767 5.317 4.550 -0.000 0.000 0.340 709 Y C -1.791 173.859 175.900 -0.416 0.000 1.097 709 Y CA -1.317 56.596 58.100 -0.311 0.000 1.037 709 Y CB 1.657 39.504 38.460 -1.023 0.000 1.305 709 Y HN 0.449 nan 8.280 nan 0.000 0.463 710 L N 3.319 124.339 121.223 -0.337 0.000 2.372 710 L HA 0.898 5.238 4.340 -0.000 0.000 0.274 710 L C -0.343 176.441 176.870 -0.144 0.000 0.988 710 L CA -0.803 53.746 54.840 -0.485 0.000 0.833 710 L CB 1.377 43.034 42.059 -0.670 0.000 1.236 710 L HN 1.099 nan 8.230 nan 0.000 0.410 711 A N 3.073 125.843 122.820 -0.085 0.000 2.280 711 A HA 0.664 4.984 4.320 -0.000 0.000 0.268 711 A C 0.252 177.905 177.584 0.115 0.000 1.111 711 A CA 0.025 52.155 52.037 0.155 0.000 0.814 711 A CB 0.694 19.823 19.000 0.216 0.000 1.093 711 A HN 0.788 nan 8.150 nan 0.000 0.498 712 S N 0.000 115.803 115.700 0.172 0.000 2.498 712 S HA 0.000 4.470 4.470 -0.000 0.000 0.327 712 S CA 0.000 58.265 58.200 0.108 0.000 1.107 712 S CB 0.000 63.272 63.200 0.119 0.000 0.593 712 S HN 0.000 nan 8.310 nan 0.000 0.517