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 2e8z_1_B 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 0.000 176.312 176.300 0.020 0.000 1.140 1 M CA 0.000 55.311 55.300 0.019 0.000 0.988 1 M CB 0.000 32.610 32.600 0.017 0.000 1.302 2 V N 1.597 121.523 119.914 0.020 0.000 3.411 2 V HA -0.046 4.074 4.120 -0.000 0.000 0.484 2 V C -0.809 175.298 176.094 0.023 0.000 0.682 2 V CA 0.945 63.258 62.300 0.021 0.000 2.023 2 V CB -1.841 29.995 31.823 0.022 0.000 2.468 2 V HN 1.304 nan 8.190 nan 0.000 0.502 3 S N 4.165 119.877 115.700 0.021 0.000 2.615 3 S HA 0.784 5.254 4.470 -0.000 0.000 0.268 3 S C -0.782 173.827 174.600 0.014 0.000 1.146 3 S CA -1.057 57.154 58.200 0.019 0.000 0.818 3 S CB 1.685 64.896 63.200 0.019 0.000 1.111 3 S HN 0.857 nan 8.310 nan 0.000 0.465 4 I N 1.684 122.259 120.570 0.008 0.000 2.556 4 I HA 0.236 4.406 4.170 -0.000 0.000 0.284 4 I C 1.109 177.222 176.117 -0.007 0.000 1.114 4 I CA -0.237 61.063 61.300 0.000 0.000 1.418 4 I CB 0.425 38.418 38.000 -0.012 0.000 1.394 4 I HN 0.586 nan 8.210 nan 0.000 0.552 5 R N 6.886 127.385 120.500 -0.002 0.000 2.442 5 R HA 0.329 4.669 4.340 -0.000 0.000 0.291 5 R C -0.699 175.590 176.300 -0.018 0.000 1.069 5 R CA -0.102 55.998 56.100 -0.000 0.000 1.022 5 R CB 0.518 30.824 30.300 0.011 0.000 0.976 5 R HN 0.631 nan 8.270 nan 0.000 0.443 6 R N 1.874 122.360 120.500 -0.023 0.000 2.673 6 R HA 0.208 4.548 4.340 -0.000 0.000 0.281 6 R C 0.526 176.814 176.300 -0.020 0.000 0.991 6 R CA -0.656 55.408 56.100 -0.060 0.000 0.896 6 R CB 2.178 32.406 30.300 -0.120 0.000 1.201 6 R HN 0.666 nan 8.270 nan 0.000 0.457 7 S N 1.726 117.420 115.700 -0.009 0.000 2.355 7 S HA -0.011 4.459 4.470 -0.000 0.000 0.222 7 S C 0.346 175.074 174.600 0.213 0.000 1.031 7 S CA 1.311 59.580 58.200 0.116 0.000 0.993 7 S CB -0.101 63.260 63.200 0.268 0.000 0.859 7 S HN 0.531 nan 8.310 nan 0.000 0.453 8 F N -0.495 119.450 119.950 -0.009 0.000 2.923 8 F HA 0.769 5.296 4.527 -0.000 0.000 0.323 8 F C -1.295 174.480 175.800 -0.042 0.000 1.189 8 F CA -1.457 56.538 58.000 -0.009 0.000 0.930 8 F CB 1.090 40.094 39.000 0.006 0.000 1.414 8 F HN -0.251 nan 8.300 nan 0.000 0.496 9 E N 0.489 120.747 120.200 0.097 0.000 2.288 9 E HA 0.753 5.103 4.350 -0.000 0.000 0.268 9 E C -1.521 175.019 176.600 -0.099 0.000 0.885 9 E CA -1.474 54.847 56.400 -0.131 0.000 0.767 9 E CB 2.385 32.084 29.700 -0.002 0.000 1.220 9 E HN 0.903 nan 8.360 nan 0.000 0.427 10 A N 2.346 124.927 122.820 -0.398 0.000 2.427 10 A HA 0.646 4.966 4.320 -0.000 0.000 0.298 10 A C -1.881 175.417 177.584 -0.475 0.000 1.036 10 A CA -0.569 51.313 52.037 -0.259 0.000 0.701 10 A CB 0.613 19.520 19.000 -0.156 0.000 1.250 10 A HN 0.536 nan 8.150 nan 0.000 0.412 11 Y N 0.431 120.697 120.300 -0.057 0.000 2.499 11 Y HA 0.549 5.098 4.550 -0.000 0.000 0.347 11 Y C 0.201 176.067 175.900 -0.057 0.000 0.987 11 Y CA -1.010 57.057 58.100 -0.056 0.000 1.044 11 Y CB 2.294 40.726 38.460 -0.047 0.000 1.245 11 Y HN 0.559 nan 8.280 nan 0.000 0.461 12 V N 3.670 123.641 119.914 0.095 0.000 2.339 12 V HA 0.249 4.369 4.120 -0.000 0.000 0.261 12 V C -0.265 175.874 176.094 0.076 0.000 1.058 12 V CA -0.049 62.279 62.300 0.046 0.000 0.897 12 V CB 0.322 32.141 31.823 -0.008 0.000 1.052 12 V HN 0.894 nan 8.190 nan 0.000 0.480 13 D N 3.994 124.427 120.400 0.054 0.000 2.350 13 D HA 0.192 4.832 4.640 -0.000 0.000 0.213 13 D C 0.256 176.574 176.300 0.029 0.000 1.031 13 D CA 0.626 54.640 54.000 0.023 0.000 0.861 13 D CB 0.582 41.384 40.800 0.004 0.000 0.926 13 D HN 0.723 nan 8.370 nan 0.000 0.520 14 D N -1.154 119.285 120.400 0.066 0.000 2.665 14 D HA 0.079 4.719 4.640 -0.000 0.000 0.287 14 D C 1.101 177.490 176.300 0.150 0.000 1.266 14 D CA -0.464 53.591 54.000 0.093 0.000 0.830 14 D CB 1.076 41.915 40.800 0.064 0.000 1.356 14 D HN -0.392 nan 8.370 nan 0.000 0.437 15 M N 0.705 120.417 119.600 0.186 0.000 2.195 15 M HA -0.144 4.336 4.480 -0.000 0.000 0.260 15 M C 1.019 177.389 176.300 0.117 0.000 1.066 15 M CA 1.577 57.013 55.300 0.227 0.000 1.089 15 M CB -1.203 31.512 32.600 0.192 0.000 1.377 15 M HN 0.478 nan 8.290 nan 0.000 0.411 16 N N -0.484 118.255 118.700 0.064 0.000 2.466 16 N HA 0.234 4.974 4.740 -0.000 0.000 0.272 16 N C -0.694 174.823 175.510 0.012 0.000 1.455 16 N CA -0.054 53.005 53.050 0.015 0.000 0.875 16 N CB 0.385 38.876 38.487 0.007 0.000 1.372 16 N HN 0.261 nan 8.380 nan 0.000 0.492 17 I N 1.285 121.868 120.570 0.023 0.000 2.447 17 I HA 0.451 4.621 4.170 -0.000 0.000 0.287 17 I C -0.637 175.487 176.117 0.012 0.000 1.023 17 I CA -0.703 60.610 61.300 0.021 0.000 1.083 17 I CB 2.030 40.049 38.000 0.031 0.000 1.245 17 I HN -0.094 nan 8.210 nan 0.000 0.434 18 I N 5.288 125.860 120.570 0.004 0.000 2.389 18 I HA 0.293 4.463 4.170 -0.000 0.000 0.288 18 I C -0.236 175.882 176.117 0.002 0.000 0.999 18 I CA -0.335 60.963 61.300 -0.005 0.000 1.129 18 I CB 2.072 40.053 38.000 -0.031 0.000 1.288 18 I HN 0.466 nan 8.210 nan 0.000 0.444 19 T N 5.891 120.465 114.554 0.033 0.000 2.744 19 T HA 0.392 4.742 4.350 -0.000 0.000 0.291 19 T C -0.132 174.594 174.700 0.044 0.000 0.957 19 T CA -0.367 61.753 62.100 0.034 0.000 1.002 19 T CB 1.351 70.250 68.868 0.051 0.000 0.919 19 T HN 0.158 nan 8.240 nan 0.000 0.468 20 V N 5.745 125.641 119.914 -0.030 0.000 2.384 20 V HA 0.437 4.557 4.120 -0.000 0.000 0.287 20 V C -0.206 175.920 176.094 0.053 0.000 1.020 20 V CA -0.797 61.460 62.300 -0.072 0.000 0.850 20 V CB 1.247 32.752 31.823 -0.531 0.000 0.987 20 V HN 0.724 nan 8.190 nan 0.000 0.436 21 L N 6.485 127.794 121.223 0.144 0.000 2.305 21 L HA 0.620 4.960 4.340 -0.000 0.000 0.284 21 L C -0.625 176.372 176.870 0.212 0.000 1.013 21 L CA -0.335 54.597 54.840 0.154 0.000 0.819 21 L CB 1.620 43.783 42.059 0.172 0.000 1.227 21 L HN 0.473 nan 8.230 nan 0.000 0.417 22 I N 5.278 125.975 120.570 0.212 0.000 2.378 22 I HA 0.344 4.514 4.170 -0.000 0.000 0.291 22 I C -2.032 174.191 176.117 0.178 0.000 0.992 22 I CA -2.143 59.286 61.300 0.215 0.000 1.154 22 I CB 2.204 40.359 38.000 0.259 0.000 1.315 22 I HN 0.331 nan 8.210 nan 0.000 0.448 23 P HA -0.026 nan 4.420 nan 0.000 0.265 23 P C 0.503 177.859 177.300 0.093 0.000 1.193 23 P CA 0.068 63.231 63.100 0.105 0.000 0.765 23 P CB 1.052 32.802 31.700 0.083 0.000 0.823 24 A N 4.906 127.779 122.820 0.087 0.000 1.915 24 A HA -0.272 4.047 4.320 -0.000 0.000 0.220 24 A C 1.933 179.539 177.584 0.036 0.000 1.198 24 A CA 2.372 54.450 52.037 0.069 0.000 0.647 24 A CB -1.435 17.601 19.000 0.060 0.000 0.825 24 A HN 0.707 nan 8.150 nan 0.000 0.456 25 E N -1.039 119.180 120.200 0.032 0.000 2.331 25 E HA -0.208 4.142 4.350 -0.000 0.000 0.199 25 E C 1.040 177.645 176.600 0.008 0.000 1.008 25 E CA 1.248 57.658 56.400 0.018 0.000 0.843 25 E CB -0.164 29.548 29.700 0.020 0.000 0.761 25 E HN 0.681 nan 8.360 nan 0.000 0.507 26 Q N 0.340 120.147 119.800 0.013 0.000 2.171 26 Q HA 0.138 4.478 4.340 -0.000 0.000 0.218 26 Q C 1.267 177.267 176.000 -0.001 0.000 0.822 26 Q CA 0.002 55.800 55.803 -0.008 0.000 0.987 26 Q CB 0.768 29.488 28.738 -0.030 0.000 1.144 26 Q HN 0.290 nan 8.270 nan 0.000 0.494 27 K N 1.536 121.941 120.400 0.009 0.000 2.074 27 K HA -0.216 4.103 4.320 -0.000 0.000 0.209 27 K C 1.320 177.898 176.600 -0.037 0.000 1.048 27 K CA 1.517 57.800 56.287 -0.006 0.000 0.926 27 K CB 0.326 32.755 32.500 -0.119 0.000 0.713 27 K HN -0.100 nan 8.250 nan 0.000 0.444 28 E N 0.104 120.274 120.200 -0.051 0.000 2.502 28 E HA 0.062 4.412 4.350 -0.000 0.000 0.194 28 E C 1.280 177.860 176.600 -0.033 0.000 1.062 28 E CA 0.371 56.742 56.400 -0.049 0.000 0.867 28 E CB 0.204 29.876 29.700 -0.047 0.000 0.888 28 E HN 0.435 nan 8.360 nan 0.000 0.510 29 I N -1.229 119.325 120.570 -0.027 0.000 3.136 29 I HA 0.084 4.254 4.170 -0.000 0.000 0.262 29 I C 0.752 176.853 176.117 -0.026 0.000 1.132 29 I CA 0.162 61.453 61.300 -0.015 0.000 1.450 29 I CB 0.182 38.178 38.000 -0.007 0.000 1.315 29 I HN -0.057 nan 8.210 nan 0.000 0.460 30 M N 2.821 122.382 119.600 -0.064 0.000 3.396 30 M HA 0.144 4.624 4.480 -0.000 0.000 0.255 30 M C 0.016 176.235 176.300 -0.136 0.000 1.398 30 M CA -0.124 55.111 55.300 -0.109 0.000 1.554 30 M CB -0.199 32.275 32.600 -0.211 0.000 1.070 30 M HN 0.235 nan 8.290 nan 0.000 0.587 31 T N -1.155 113.270 114.554 -0.215 0.000 2.927 31 T HA 0.665 5.015 4.350 -0.000 0.000 0.281 31 T C -2.585 171.618 174.700 -0.829 0.000 0.998 31 T CA -2.018 59.867 62.100 -0.357 0.000 1.019 31 T CB 1.337 70.087 68.868 -0.195 0.000 1.061 31 T HN 0.158 nan 8.240 nan 0.000 0.518 32 P HA 0.311 nan 4.420 nan 0.000 0.273 32 P C -2.676 174.279 177.300 -0.576 0.000 1.250 32 P CA -1.419 60.933 63.100 -1.247 0.000 0.793 32 P CB -1.111 30.087 31.700 -0.837 0.000 1.011 33 P HA 0.164 nan 4.420 nan 0.000 0.268 33 P C -0.787 176.233 177.300 -0.468 0.000 1.205 33 P CA 0.611 63.498 63.100 -0.354 0.000 0.771 33 P CB 0.011 31.616 31.700 -0.157 0.000 0.858 34 F N 2.077 121.966 119.950 -0.101 0.000 2.450 34 F HA 0.523 5.050 4.527 -0.000 0.000 0.332 34 F C 1.274 177.071 175.800 -0.005 0.000 1.093 34 F CA -0.613 57.343 58.000 -0.073 0.000 1.003 34 F CB 1.783 40.722 39.000 -0.102 0.000 1.151 34 F HN 0.017 nan 8.300 nan 0.000 0.474 35 R N 2.002 122.641 120.500 0.233 0.000 2.750 35 R HA 0.613 4.953 4.340 -0.000 0.000 0.281 35 R C -1.815 174.591 176.300 0.176 0.000 0.972 35 R CA -1.302 54.898 56.100 0.167 0.000 0.912 35 R CB 2.535 32.899 30.300 0.107 0.000 1.187 35 R HN 0.434 nan 8.270 nan 0.000 0.464 36 L N 1.965 123.294 121.223 0.177 0.000 2.287 36 L HA 0.380 4.720 4.340 -0.000 0.000 0.287 36 L C -0.749 176.240 176.870 0.198 0.000 1.022 36 L CA 0.160 55.107 54.840 0.179 0.000 0.814 36 L CB 1.259 43.418 42.059 0.166 0.000 1.217 36 L HN 0.593 nan 8.230 nan 0.000 0.420 37 E N 2.382 122.674 120.200 0.154 0.000 2.299 37 E HA 0.805 5.155 4.350 -0.000 0.000 0.265 37 E C -0.860 175.756 176.600 0.027 0.000 0.911 37 E CA -0.778 55.681 56.400 0.098 0.000 0.789 37 E CB 2.098 31.830 29.700 0.053 0.000 1.246 37 E HN 0.678 nan 8.360 nan 0.000 0.427 38 T N -3.001 111.534 114.554 -0.032 0.000 2.754 38 T HA 0.150 4.500 4.350 -0.000 0.000 0.296 38 T C 0.551 175.206 174.700 -0.075 0.000 1.205 38 T CA -0.837 61.172 62.100 -0.152 0.000 1.009 38 T CB 1.002 69.721 68.868 -0.248 0.000 1.368 38 T HN 0.629 nan 8.240 nan 0.000 0.509 39 E N -0.036 120.116 120.200 -0.081 0.000 2.401 39 E HA 0.045 4.395 4.350 -0.000 0.000 0.199 39 E C 1.089 177.673 176.600 -0.027 0.000 1.023 39 E CA 1.040 57.414 56.400 -0.043 0.000 0.859 39 E CB -0.328 29.349 29.700 -0.037 0.000 0.780 39 E HN 0.684 nan 8.360 nan 0.000 0.523 40 I N 0.482 121.040 120.570 -0.020 0.000 4.624 40 I HA 0.046 4.216 4.170 -0.000 0.000 0.327 40 I C 0.405 176.532 176.117 0.016 0.000 1.295 40 I CA 0.277 61.577 61.300 0.000 0.000 1.267 40 I CB 1.113 39.121 38.000 0.014 0.000 1.249 40 I HN 0.073 nan 8.210 nan 0.000 0.440 41 T N -2.397 112.186 114.554 0.048 0.000 2.912 41 T HA 0.537 4.887 4.350 -0.000 0.000 0.288 41 T C -0.944 173.780 174.700 0.041 0.000 1.030 41 T CA -0.561 61.596 62.100 0.096 0.000 1.020 41 T CB 2.848 71.975 68.868 0.432 0.000 1.056 41 T HN -0.090 nan 8.240 nan 0.000 0.480 42 D N 0.794 121.110 120.400 -0.141 0.000 2.328 42 D HA 0.402 5.042 4.640 -0.000 0.000 0.243 42 D C -1.665 174.467 176.300 -0.279 0.000 1.324 42 D CA -0.459 53.476 54.000 -0.107 0.000 0.966 42 D CB 0.208 40.936 40.800 -0.120 0.000 1.324 42 D HN 0.424 nan 8.370 nan 0.000 0.549 43 F N 2.852 122.824 119.950 0.036 0.000 2.556 43 F HA 0.630 5.157 4.527 -0.000 0.000 0.327 43 F C -1.766 174.059 175.800 0.041 0.000 1.059 43 F CA -1.776 56.244 58.000 0.035 0.000 0.953 43 F CB 1.900 40.922 39.000 0.036 0.000 1.227 43 F HN 0.038 nan 8.300 nan 0.000 0.478 44 P HA 0.375 nan 4.420 nan 0.000 0.279 44 P C -1.264 176.127 177.300 0.151 0.000 1.252 44 P CA -0.264 62.922 63.100 0.144 0.000 0.811 44 P CB 1.711 33.469 31.700 0.097 0.000 1.035 45 L N 1.168 122.470 121.223 0.131 0.000 2.346 45 L HA 0.669 5.009 4.340 -0.000 0.000 0.274 45 L C 0.380 177.314 176.870 0.108 0.000 1.007 45 L CA -1.012 53.901 54.840 0.122 0.000 0.818 45 L CB 1.884 44.031 42.059 0.145 0.000 1.284 45 L HN 0.380 nan 8.230 nan 0.000 0.424 46 A N 2.781 125.656 122.820 0.091 0.000 2.292 46 A HA 0.643 4.963 4.320 -0.000 0.000 0.319 46 A C -0.494 177.151 177.584 0.102 0.000 1.206 46 A CA -0.492 51.596 52.037 0.084 0.000 0.835 46 A CB 1.142 20.182 19.000 0.067 0.000 1.164 46 A HN 0.404 nan 8.150 nan 0.000 0.505 47 V N 4.096 124.081 119.914 0.119 0.000 2.405 47 V HA 0.167 4.287 4.120 -0.000 0.000 0.264 47 V C 1.500 177.666 176.094 0.120 0.000 1.048 47 V CA 0.092 62.486 62.300 0.158 0.000 0.966 47 V CB 0.540 32.500 31.823 0.228 0.000 1.015 47 V HN 1.077 nan 8.190 nan 0.000 0.477 48 R N 3.338 123.898 120.500 0.101 0.000 2.210 48 R HA 0.114 4.454 4.340 -0.000 0.000 0.203 48 R C 0.409 176.757 176.300 0.080 0.000 1.010 48 R CA 0.726 56.873 56.100 0.078 0.000 1.008 48 R CB 0.514 30.852 30.300 0.063 0.000 0.923 48 R HN 0.932 nan 8.270 nan 0.000 0.469 49 E N -0.318 119.931 120.200 0.081 0.000 2.392 49 E HA 0.117 4.467 4.350 -0.000 0.000 0.281 49 E C -1.791 174.797 176.600 -0.021 0.000 1.088 49 E CA -1.026 55.415 56.400 0.069 0.000 0.850 49 E CB 1.274 31.036 29.700 0.103 0.000 1.267 49 E HN 0.209 nan 8.360 nan 0.000 0.438 50 E N 0.683 120.835 120.200 -0.080 0.000 2.354 50 E HA 0.578 4.928 4.350 -0.000 0.000 0.283 50 E C -1.529 174.850 176.600 -0.368 0.000 0.938 50 E CA -0.898 55.243 56.400 -0.431 0.000 0.777 50 E CB 1.522 30.997 29.700 -0.375 0.000 1.222 50 E HN 0.626 nan 8.360 nan 0.000 0.423 51 Y N -0.818 119.104 120.300 -0.631 0.000 2.725 51 Y HA 0.665 5.215 4.550 -0.000 0.000 0.333 51 Y C -1.014 174.520 175.900 -0.611 0.000 1.242 51 Y CA -1.114 56.728 58.100 -0.429 0.000 1.059 51 Y CB 0.809 39.153 38.460 -0.195 0.000 1.306 51 Y HN 0.585 nan 8.280 nan 0.000 0.454 52 S N 1.353 117.091 115.700 0.065 0.000 2.525 52 S HA 0.757 5.227 4.470 -0.000 0.000 0.290 52 S C -0.995 173.687 174.600 0.136 0.000 1.152 52 S CA -0.527 57.738 58.200 0.108 0.000 1.072 52 S CB 1.443 64.819 63.200 0.294 0.000 1.027 52 S HN 0.596 nan 8.310 nan 0.000 0.500 53 L N 1.688 122.962 121.223 0.085 0.000 2.544 53 L HA 0.533 4.873 4.340 -0.000 0.000 0.256 53 L C 2.131 179.043 176.870 0.071 0.000 1.097 53 L CA -0.371 54.517 54.840 0.080 0.000 0.812 53 L CB -0.045 42.044 42.059 0.050 0.000 1.440 53 L HN 0.991 nan 8.230 nan 0.000 0.496 54 E N 0.142 120.373 120.200 0.052 0.000 2.070 54 E HA -0.212 4.137 4.350 -0.000 0.000 0.197 54 E C 0.517 177.148 176.600 0.051 0.000 1.004 54 E CA 1.862 58.289 56.400 0.045 0.000 0.805 54 E CB 0.119 29.839 29.700 0.032 0.000 0.744 54 E HN 0.606 nan 8.360 nan 0.000 0.451 55 A N -0.208 122.646 122.820 0.055 0.000 2.569 55 A HA 0.301 4.621 4.320 -0.000 0.000 0.284 55 A C -0.541 177.089 177.584 0.075 0.000 0.948 55 A CA -0.483 51.589 52.037 0.060 0.000 1.007 55 A CB 0.560 19.589 19.000 0.048 0.000 1.232 55 A HN -0.014 nan 8.150 nan 0.000 0.530 56 K N -0.676 119.775 120.400 0.086 0.000 2.502 56 K HA 0.486 4.806 4.320 -0.000 0.000 0.257 56 K C -1.966 174.707 176.600 0.121 0.000 0.938 56 K CA -0.669 55.680 56.287 0.103 0.000 0.819 56 K CB 2.345 34.892 32.500 0.078 0.000 1.333 56 K HN 0.156 nan 8.250 nan 0.000 0.434 57 Y N 2.141 122.437 120.300 -0.007 0.000 2.331 57 Y HA 0.295 4.845 4.550 -0.000 0.000 0.338 57 Y C -0.575 175.232 175.900 -0.154 0.000 0.992 57 Y CA -0.533 57.510 58.100 -0.095 0.000 1.121 57 Y CB 1.198 39.609 38.460 -0.081 0.000 1.184 57 Y HN 0.412 nan 8.280 nan 0.000 0.469 58 K N 5.347 125.263 120.400 -0.808 0.000 2.182 58 K HA 0.441 4.761 4.320 -0.000 0.000 0.262 58 K C -2.151 173.907 176.600 -0.903 0.000 0.957 58 K CA -0.551 55.334 56.287 -0.669 0.000 0.842 58 K CB 0.839 32.954 32.500 -0.642 0.000 1.099 58 K HN 0.684 nan 8.250 nan 0.000 0.438 59 Y N 2.564 122.655 120.300 -0.348 0.000 2.338 59 Y HA 0.240 4.790 4.550 -0.000 0.000 0.333 59 Y C -0.380 175.411 175.900 -0.181 0.000 0.968 59 Y CA -1.087 56.882 58.100 -0.219 0.000 1.123 59 Y CB 2.066 40.519 38.460 -0.011 0.000 1.165 59 Y HN 0.305 nan 8.280 nan 0.000 0.452 60 V N 2.153 122.055 119.914 -0.020 0.000 2.364 60 V HA 0.663 4.783 4.120 -0.000 0.000 0.272 60 V C -0.467 175.660 176.094 0.055 0.000 1.036 60 V CA -0.600 61.699 62.300 -0.000 0.000 0.880 60 V CB -0.120 31.696 31.823 -0.011 0.000 0.991 60 V HN 0.878 nan 8.190 nan 0.000 0.460 61 C N 4.791 124.120 119.300 0.049 0.000 2.454 61 C HA 0.824 5.284 4.460 -0.000 0.000 0.336 61 C C 0.216 175.233 174.990 0.046 0.000 1.189 61 C CA -0.671 58.386 59.018 0.066 0.000 1.877 61 C CB 1.344 29.126 27.740 0.070 0.000 2.348 61 C HN 0.813 nan 8.230 nan 0.000 0.508 62 V N 2.536 122.481 119.914 0.052 0.000 2.513 62 V HA 0.629 4.749 4.120 -0.000 0.000 0.299 62 V C 0.164 176.277 176.094 0.032 0.000 1.035 62 V CA -0.078 62.244 62.300 0.037 0.000 0.889 62 V CB 1.982 33.828 31.823 0.038 0.000 0.988 62 V HN 1.068 nan 8.190 nan 0.000 0.440 63 S N 1.765 117.469 115.700 0.008 0.000 2.549 63 S HA 0.442 4.912 4.470 -0.000 0.000 0.297 63 S C 0.230 174.807 174.600 -0.038 0.000 1.115 63 S CA -0.731 57.461 58.200 -0.014 0.000 1.059 63 S CB 1.876 65.045 63.200 -0.051 0.000 1.046 63 S HN 0.617 nan 8.310 nan 0.000 0.506 64 D N 1.201 121.567 120.400 -0.057 0.000 2.091 64 D HA 0.067 4.707 4.640 -0.000 0.000 0.199 64 D C 1.205 177.425 176.300 -0.133 0.000 0.980 64 D CA 2.030 55.990 54.000 -0.067 0.000 0.831 64 D CB -0.902 39.879 40.800 -0.031 0.000 0.987 64 D HN 0.916 nan 8.370 nan 0.000 0.460 65 H N 0.604 119.508 119.070 -0.277 0.000 2.473 65 H HA 0.532 5.088 4.556 -0.000 0.000 0.327 65 H C -2.323 172.887 175.328 -0.196 0.000 1.105 65 H CA -2.133 53.742 56.048 -0.289 0.000 1.280 65 H CB 0.019 29.456 29.762 -0.542 0.000 1.450 65 H HN -0.109 nan 8.280 nan 0.000 0.492 66 P HA 0.131 nan 4.420 nan 0.000 0.269 66 P C -0.077 177.170 177.300 -0.088 0.000 1.215 66 P CA -0.369 62.699 63.100 -0.053 0.000 0.780 66 P CB 0.793 32.498 31.700 0.007 0.000 0.898 67 V N 2.610 122.440 119.914 -0.139 0.000 2.655 67 V HA 0.016 4.136 4.120 -0.000 0.000 0.300 67 V C 0.688 176.633 176.094 -0.247 0.000 1.044 67 V CA 0.717 62.804 62.300 -0.356 0.000 1.095 67 V CB 0.108 31.499 31.823 -0.720 0.000 0.952 67 V HN 0.545 nan 8.190 nan 0.000 0.485 68 T N 6.556 121.059 114.554 -0.085 0.000 2.891 68 T HA 0.416 4.766 4.350 -0.000 0.000 0.315 68 T C -0.220 174.574 174.700 0.156 0.000 1.054 68 T CA -0.081 62.091 62.100 0.120 0.000 0.958 68 T CB -0.495 68.468 68.868 0.158 0.000 1.008 68 T HN 0.287 nan 8.240 nan 0.000 0.521 69 F N 1.898 121.983 119.950 0.226 0.000 2.572 69 F HA 0.425 4.952 4.527 -0.000 0.000 0.370 69 F C 1.673 177.533 175.800 0.101 0.000 1.103 69 F CA 0.863 58.950 58.000 0.145 0.000 1.286 69 F CB 0.447 39.478 39.000 0.053 0.000 1.105 69 F HN 0.748 nan 8.300 nan 0.000 0.583 70 G N 1.267 110.207 108.800 0.234 0.000 2.352 70 G HA2 -0.170 3.790 3.960 -0.000 0.000 0.204 70 G HA3 -0.170 3.790 3.960 -0.000 0.000 0.204 70 G C 0.001 174.966 174.900 0.108 0.000 1.004 70 G CA -0.710 44.490 45.100 0.167 0.000 0.648 70 G HN 0.387 nan 8.290 nan 0.000 0.491 71 K N 0.726 121.173 120.400 0.079 0.000 2.164 71 K HA 0.649 4.969 4.320 -0.000 0.000 0.258 71 K C 0.332 176.889 176.600 -0.072 0.000 0.951 71 K CA -0.835 55.428 56.287 -0.039 0.000 0.844 71 K CB 1.931 34.345 32.500 -0.144 0.000 1.099 71 K HN 0.306 nan 8.250 nan 0.000 0.435 72 I N 3.545 124.057 120.570 -0.096 0.000 2.556 72 I HA -0.013 4.157 4.170 -0.000 0.000 0.284 72 I C 0.682 176.697 176.117 -0.171 0.000 1.114 72 I CA 0.347 61.605 61.300 -0.070 0.000 1.418 72 I CB 0.227 38.194 38.000 -0.055 0.000 1.394 72 I HN 0.204 nan 8.210 nan 0.000 0.552 73 H N 4.973 124.001 119.070 -0.070 0.000 2.492 73 H HA 0.410 4.966 4.556 -0.000 0.000 0.345 73 H C -1.041 174.248 175.328 -0.065 0.000 1.136 73 H CA -0.594 55.416 56.048 -0.064 0.000 1.202 73 H CB 2.056 31.762 29.762 -0.094 0.000 1.524 73 H HN 0.534 nan 8.280 nan 0.000 0.506 74 C N 3.059 122.398 119.300 0.065 0.000 2.455 74 C HA 0.373 4.833 4.460 -0.000 0.000 0.320 74 C C 0.167 175.199 174.990 0.070 0.000 1.226 74 C CA -0.682 58.351 59.018 0.026 0.000 1.569 74 C CB 1.356 29.102 27.740 0.011 0.000 2.200 74 C HN 0.507 nan 8.230 nan 0.000 0.491 75 V N 4.321 124.272 119.914 0.062 0.000 2.370 75 V HA 0.502 4.622 4.120 -0.000 0.000 0.283 75 V C 0.196 176.489 176.094 0.331 0.000 1.023 75 V CA -0.429 61.972 62.300 0.169 0.000 0.857 75 V CB 1.220 33.133 31.823 0.149 0.000 0.985 75 V HN 0.805 nan 8.190 nan 0.000 0.443 76 R N 3.799 124.490 120.500 0.318 0.000 2.338 76 R HA 0.755 5.095 4.340 -0.000 0.000 0.317 76 R C -0.138 176.374 176.300 0.355 0.000 0.968 76 R CA -0.308 55.989 56.100 0.328 0.000 0.849 76 R CB 1.461 31.866 30.300 0.175 0.000 1.128 76 R HN 0.807 nan 8.270 nan 0.000 0.448 77 A N 2.016 125.027 122.820 0.318 0.000 2.271 77 A HA 0.215 4.535 4.320 -0.000 0.000 0.288 77 A C 1.081 178.630 177.584 -0.058 0.000 1.094 77 A CA -0.120 51.951 52.037 0.057 0.000 0.828 77 A CB 0.906 19.871 19.000 -0.059 0.000 1.091 77 A HN 0.960 nan 8.150 nan 0.000 0.493 78 S N 0.006 115.569 115.700 -0.228 0.000 2.469 78 S HA -0.149 4.320 4.470 -0.000 0.000 0.238 78 S C 1.545 176.103 174.600 -0.071 0.000 0.998 78 S CA 1.509 59.620 58.200 -0.149 0.000 0.957 78 S CB -0.707 62.371 63.200 -0.205 0.000 0.764 78 S HN 1.364 nan 8.310 nan 0.000 0.514 79 S N 0.217 115.902 115.700 -0.024 0.000 2.561 79 S HA 0.426 4.896 4.470 -0.000 0.000 0.225 79 S C 1.698 176.283 174.600 -0.026 0.000 0.977 79 S CA 0.564 58.786 58.200 0.036 0.000 0.926 79 S CB -0.552 62.769 63.200 0.201 0.000 0.769 79 S HN 1.372 nan 8.310 nan 0.000 0.533 80 G N 0.408 109.203 108.800 -0.009 0.000 2.254 80 G HA2 -0.217 3.743 3.960 -0.000 0.000 0.225 80 G HA3 -0.217 3.743 3.960 -0.000 0.000 0.225 80 G C -0.057 174.827 174.900 -0.026 0.000 1.003 80 G CA -0.033 45.033 45.100 -0.057 0.000 0.622 80 G HN 0.685 nan 8.290 nan 0.000 0.507 81 H N 1.281 120.433 119.070 0.136 0.000 2.771 81 H HA 0.631 5.187 4.556 -0.000 0.000 0.364 81 H C 0.681 176.239 175.328 0.384 0.000 1.133 81 H CA 0.807 57.001 56.048 0.242 0.000 1.423 81 H CB 0.619 30.571 29.762 0.317 0.000 1.425 81 H HN 0.395 nan 8.280 nan 0.000 0.606 82 K N 0.555 121.193 120.400 0.398 0.000 2.480 82 K HA 0.579 4.899 4.320 -0.000 0.000 0.258 82 K C -0.808 175.672 176.600 -0.201 0.000 0.990 82 K CA -0.947 55.461 56.287 0.201 0.000 0.857 82 K CB 2.759 35.319 32.500 0.100 0.000 1.384 82 K HN 0.541 nan 8.250 nan 0.000 0.446 83 T N 0.367 114.677 114.554 -0.407 0.000 2.868 83 T HA 0.171 4.521 4.350 -0.000 0.000 0.306 83 T C -1.992 172.524 174.700 -0.306 0.000 1.224 83 T CA -0.880 60.898 62.100 -0.537 0.000 1.012 83 T CB 1.089 69.308 68.868 -1.081 0.000 1.221 83 T HN 0.708 nan 8.240 nan 0.000 0.499 84 D N 3.156 123.404 120.400 -0.252 0.000 2.304 84 D HA 0.155 4.795 4.640 -0.000 0.000 0.250 84 D C 0.152 176.328 176.300 -0.207 0.000 1.107 84 D CA -0.538 53.361 54.000 -0.170 0.000 0.885 84 D CB 0.950 41.670 40.800 -0.133 0.000 1.192 84 D HN 0.475 nan 8.370 nan 0.000 0.436 85 L N 1.742 122.883 121.223 -0.137 0.000 2.500 85 L HA -0.003 4.337 4.340 -0.000 0.000 0.272 85 L C 0.515 177.280 176.870 -0.175 0.000 1.149 85 L CA 0.181 54.925 54.840 -0.160 0.000 0.897 85 L CB 0.305 42.306 42.059 -0.097 0.000 1.178 85 L HN 0.378 nan 8.230 nan 0.000 0.473 86 Q N 3.688 123.321 119.800 -0.278 0.000 2.199 86 Q HA 0.453 4.793 4.340 -0.000 0.000 0.232 86 Q C -0.490 175.494 176.000 -0.028 0.000 0.969 86 Q CA -0.836 54.843 55.803 -0.206 0.000 0.925 86 Q CB 2.162 30.663 28.738 -0.396 0.000 1.198 86 Q HN 0.578 nan 8.270 nan 0.000 0.494 87 I N 1.209 121.819 120.570 0.067 0.000 2.416 87 I HA 0.185 4.355 4.170 -0.000 0.000 0.288 87 I C 0.687 176.907 176.117 0.171 0.000 1.051 87 I CA -0.016 61.343 61.300 0.098 0.000 1.375 87 I CB 0.638 38.659 38.000 0.035 0.000 1.407 87 I HN 0.657 nan 8.210 nan 0.000 0.516 88 G N 3.525 112.392 108.800 0.112 0.000 2.940 88 G HA2 0.487 4.447 3.960 -0.000 0.000 0.164 88 G HA3 0.487 4.447 3.960 -0.000 0.000 0.164 88 G C 0.754 175.614 174.900 -0.066 0.000 1.326 88 G CA 0.065 45.193 45.100 0.045 0.000 1.020 88 G HN 0.643 nan 8.290 nan 0.000 0.586 89 A N -0.975 121.790 122.820 -0.091 0.000 2.235 89 A HA 0.256 4.576 4.320 -0.000 0.000 0.208 89 A C 2.214 179.721 177.584 -0.129 0.000 1.172 89 A CA 1.110 53.071 52.037 -0.127 0.000 0.786 89 A CB -0.442 18.490 19.000 -0.114 0.000 0.804 89 A HN 0.818 nan 8.150 nan 0.000 0.479 90 V N 0.887 120.732 119.914 -0.114 0.000 2.453 90 V HA -0.282 3.838 4.120 -0.000 0.000 0.252 90 V C 2.186 178.030 176.094 -0.417 0.000 1.068 90 V CA 2.455 64.676 62.300 -0.132 0.000 1.070 90 V CB -0.677 31.152 31.823 0.010 0.000 0.664 90 V HN 0.715 nan 8.190 nan 0.000 0.461 91 I N -1.087 119.088 120.570 -0.659 0.000 2.916 91 I HA -0.083 4.087 4.170 -0.000 0.000 0.267 91 I C 2.191 178.188 176.117 -0.201 0.000 1.263 91 I CA 1.364 62.085 61.300 -0.966 0.000 1.471 91 I CB -0.866 36.744 38.000 -0.651 0.000 1.089 91 I HN 0.139 nan 8.210 nan 0.000 0.468 92 R N 0.955 121.378 120.500 -0.128 0.000 2.334 92 R HA 0.183 4.523 4.340 -0.000 0.000 0.216 92 R C 0.621 176.931 176.300 0.017 0.000 0.905 92 R CA 0.540 56.611 56.100 -0.048 0.000 1.064 92 R CB -0.087 30.156 30.300 -0.094 0.000 1.046 92 R HN 0.589 nan 8.270 nan 0.000 0.508 93 T N -2.783 111.808 114.554 0.063 0.000 2.904 93 T HA 0.334 4.684 4.350 -0.000 0.000 0.290 93 T C 1.407 176.204 174.700 0.161 0.000 1.018 93 T CA -0.201 61.958 62.100 0.100 0.000 1.075 93 T CB 1.944 70.879 68.868 0.112 0.000 0.986 93 T HN 0.058 nan 8.240 nan 0.000 0.523 94 A N 2.033 124.916 122.820 0.105 0.000 1.933 94 A HA 0.192 4.512 4.320 -0.000 0.000 0.218 94 A C 2.637 180.292 177.584 0.118 0.000 1.175 94 A CA 1.688 53.782 52.037 0.094 0.000 0.628 94 A CB -1.480 17.547 19.000 0.045 0.000 0.814 94 A HN 1.258 nan 8.150 nan 0.000 0.444 95 A N -1.113 121.780 122.820 0.122 0.000 1.902 95 A HA -0.075 4.245 4.320 -0.000 0.000 0.217 95 A C 2.064 179.736 177.584 0.147 0.000 1.181 95 A CA 1.638 53.740 52.037 0.108 0.000 0.623 95 A CB -0.737 18.327 19.000 0.106 0.000 0.818 95 A HN 0.680 nan 8.150 nan 0.000 0.443 96 F N 0.872 120.881 119.950 0.097 0.000 2.102 96 F HA -0.175 4.352 4.527 -0.000 0.000 0.298 96 F C 1.917 177.870 175.800 0.255 0.000 1.105 96 F CA 2.106 60.205 58.000 0.165 0.000 1.239 96 F CB -0.241 38.837 39.000 0.130 0.000 0.991 96 F HN 0.283 nan 8.300 nan 0.000 0.474 97 D N 0.368 121.008 120.400 0.400 0.000 2.104 97 D HA -0.187 4.453 4.640 -0.000 0.000 0.194 97 D C 1.776 178.189 176.300 0.188 0.000 0.994 97 D CA 1.697 55.910 54.000 0.355 0.000 0.830 97 D CB -0.344 40.639 40.800 0.305 0.000 0.959 97 D HN 0.290 nan 8.370 nan 0.000 0.452 98 D N -0.391 120.062 120.400 0.089 0.000 2.178 98 D HA -0.129 4.511 4.640 -0.000 0.000 0.202 98 D C 1.908 178.181 176.300 -0.045 0.000 0.974 98 D CA 0.754 54.770 54.000 0.026 0.000 0.841 98 D CB -0.255 40.544 40.800 -0.002 0.000 0.953 98 D HN 0.335 nan 8.370 nan 0.000 0.478 99 E N -0.138 119.950 120.200 -0.186 0.000 2.072 99 E HA -0.108 4.242 4.350 -0.000 0.000 0.191 99 E C 1.069 177.283 176.600 -0.645 0.000 0.985 99 E CA 1.060 57.167 56.400 -0.489 0.000 0.801 99 E CB -0.295 28.943 29.700 -0.771 0.000 0.750 99 E HN 0.305 nan 8.360 nan 0.000 0.452 100 F N -0.865 119.008 119.950 -0.129 0.000 2.678 100 F HA 0.202 4.729 4.527 -0.000 0.000 0.305 100 F C 0.022 175.985 175.800 0.272 0.000 1.090 100 F CA -0.722 57.276 58.000 -0.005 0.000 1.272 100 F CB -0.031 38.797 39.000 -0.287 0.000 1.060 100 F HN -0.076 nan 8.300 nan 0.000 0.576 101 Y N 1.618 122.034 120.300 0.194 0.000 2.721 101 Y HA -0.042 4.508 4.550 -0.000 0.000 0.329 101 Y C -0.629 175.347 175.900 0.127 0.000 1.211 101 Y CA -0.754 57.391 58.100 0.075 0.000 1.512 101 Y CB -0.228 38.223 38.460 -0.014 0.000 1.249 101 Y HN 0.145 nan 8.280 nan 0.000 0.549 102 Y N 6.619 126.317 120.300 -1.003 0.000 2.328 102 Y HA 0.255 4.805 4.550 -0.000 0.000 0.337 102 Y C 0.226 175.533 175.900 -0.989 0.000 0.966 102 Y CA -1.377 56.305 58.100 -0.697 0.000 1.136 102 Y CB 1.287 39.569 38.460 -0.296 0.000 1.170 102 Y HN 0.766 nan 8.280 nan 0.000 0.470 103 D N 2.777 122.533 120.400 -1.073 0.000 2.349 103 D HA 0.163 4.803 4.640 -0.000 0.000 0.215 103 D C 1.002 176.874 176.300 -0.712 0.000 1.016 103 D CA 0.613 54.227 54.000 -0.643 0.000 0.870 103 D CB 0.197 40.927 40.800 -0.116 0.000 0.917 103 D HN 0.772 nan 8.370 nan 0.000 0.524 104 G N 0.015 107.914 108.800 -1.502 0.000 2.563 104 G HA2 0.288 4.248 3.960 -0.000 0.000 0.283 104 G HA3 0.288 4.248 3.960 -0.000 0.000 0.283 104 G C -0.374 174.304 174.900 -0.370 0.000 1.309 104 G CA -0.631 43.929 45.100 -0.900 0.000 1.022 104 G HN 0.339 nan 8.290 nan 0.000 0.501 105 E N -0.940 119.223 120.200 -0.062 0.000 2.301 105 E HA 0.497 4.847 4.350 -0.000 0.000 0.275 105 E C -0.647 175.956 176.600 0.005 0.000 1.030 105 E CA -0.536 55.843 56.400 -0.037 0.000 0.852 105 E CB 1.328 31.012 29.700 -0.027 0.000 1.060 105 E HN 0.250 nan 8.360 nan 0.000 0.401 106 L N 2.089 123.145 121.223 -0.278 0.000 2.303 106 L HA 0.722 5.062 4.340 -0.000 0.000 0.266 106 L C 0.708 177.337 176.870 -0.402 0.000 1.011 106 L CA -0.220 54.398 54.840 -0.371 0.000 0.818 106 L CB 1.746 43.414 42.059 -0.652 0.000 1.326 106 L HN 1.032 nan 8.230 nan 0.000 0.435 107 G N 0.684 109.455 108.800 -0.047 0.000 2.451 107 G HA2 0.075 4.035 3.960 -0.000 0.000 0.208 107 G HA3 0.075 4.035 3.960 -0.000 0.000 0.208 107 G C -0.982 174.053 174.900 0.224 0.000 1.248 107 G CA -0.268 44.949 45.100 0.194 0.000 0.989 107 G HN 0.971 nan 8.290 nan 0.000 0.559 108 A N -0.502 122.391 122.820 0.122 0.000 2.253 108 A HA 0.691 5.011 4.320 -0.000 0.000 0.316 108 A C 0.046 177.519 177.584 -0.184 0.000 1.327 108 A CA -0.020 51.904 52.037 -0.189 0.000 0.917 108 A CB 1.033 19.788 19.000 -0.409 0.000 1.162 108 A HN 1.776 nan 8.150 nan 0.000 0.535 109 V N 3.993 123.782 119.914 -0.208 0.000 2.348 109 V HA 0.156 4.276 4.120 -0.000 0.000 0.270 109 V C -0.307 175.704 176.094 -0.139 0.000 1.037 109 V CA -0.341 61.891 62.300 -0.113 0.000 0.872 109 V CB 0.028 31.807 31.823 -0.074 0.000 1.002 109 V HN 0.774 nan 8.190 nan 0.000 0.464 110 Y N 4.132 124.315 120.300 -0.195 0.000 2.299 110 Y HA 0.611 5.161 4.550 -0.000 0.000 0.326 110 Y C 0.410 176.194 175.900 -0.194 0.000 1.164 110 Y CA 0.302 58.284 58.100 -0.197 0.000 1.234 110 Y CB 1.564 39.949 38.460 -0.125 0.000 1.219 110 Y HN 0.628 nan 8.280 nan 0.000 0.497 111 T N 4.530 118.371 114.554 -1.188 0.000 2.923 111 T HA 0.461 4.811 4.350 -0.000 0.000 0.311 111 T C 0.447 174.366 174.700 -1.302 0.000 1.183 111 T CA -0.071 61.428 62.100 -1.001 0.000 1.020 111 T CB 1.570 69.888 68.868 -0.917 0.000 1.165 111 T HN 0.798 nan 8.240 nan 0.000 0.482 112 A N 1.283 123.677 122.820 -0.710 0.000 1.978 112 A HA -0.100 4.220 4.320 -0.000 0.000 0.220 112 A C 1.853 179.271 177.584 -0.276 0.000 1.170 112 A CA 2.303 54.122 52.037 -0.364 0.000 0.636 112 A CB -0.469 18.466 19.000 -0.108 0.000 0.810 112 A HN 0.826 nan 8.150 nan 0.000 0.448 113 D N -1.317 118.906 120.400 -0.295 0.000 2.137 113 D HA -0.032 4.608 4.640 -0.000 0.000 0.202 113 D C 0.783 177.043 176.300 -0.067 0.000 0.970 113 D CA 1.406 55.336 54.000 -0.117 0.000 0.837 113 D CB 0.065 40.872 40.800 0.011 0.000 0.981 113 D HN 0.732 nan 8.370 nan 0.000 0.475 114 H N -3.723 115.212 119.070 -0.225 0.000 2.948 114 H HA 0.512 5.068 4.556 -0.000 0.000 0.315 114 H C -1.284 173.888 175.328 -0.259 0.000 1.360 114 H CA -0.780 55.158 56.048 -0.183 0.000 1.125 114 H CB 0.650 30.337 29.762 -0.125 0.000 1.844 114 H HN -0.202 nan 8.280 nan 0.000 0.529 115 T N 1.473 115.972 114.554 -0.091 0.000 2.886 115 T HA 0.414 4.764 4.350 -0.000 0.000 0.292 115 T C -0.521 174.056 174.700 -0.205 0.000 1.012 115 T CA -0.602 61.344 62.100 -0.258 0.000 0.982 115 T CB 1.887 70.539 68.868 -0.361 0.000 1.018 115 T HN 0.419 nan 8.240 nan 0.000 0.451 116 V N 3.930 123.700 119.914 -0.240 0.000 2.398 116 V HA 0.551 4.671 4.120 -0.000 0.000 0.286 116 V C -0.879 175.072 176.094 -0.238 0.000 1.026 116 V CA -0.743 61.496 62.300 -0.102 0.000 0.868 116 V CB 0.691 32.516 31.823 0.002 0.000 0.982 116 V HN 0.771 nan 8.190 nan 0.000 0.443 117 F N 3.711 123.739 119.950 0.130 0.000 2.436 117 F HA 0.662 5.189 4.527 -0.000 0.000 0.340 117 F C 0.400 176.276 175.800 0.126 0.000 1.113 117 F CA -0.565 57.565 58.000 0.217 0.000 1.022 117 F CB 1.619 40.842 39.000 0.373 0.000 1.128 117 F HN 0.276 nan 8.300 nan 0.000 0.466 118 K N 2.442 123.008 120.400 0.276 0.000 2.501 118 K HA 0.741 5.061 4.320 -0.000 0.000 0.252 118 K C -1.753 174.866 176.600 0.032 0.000 0.934 118 K CA -0.962 55.370 56.287 0.075 0.000 0.797 118 K CB 3.213 35.725 32.500 0.020 0.000 1.270 118 K HN 0.427 nan 8.250 nan 0.000 0.431 119 V N 2.619 122.484 119.914 -0.082 0.000 2.888 119 V HA 0.473 4.593 4.120 -0.000 0.000 0.309 119 V C -1.962 174.201 176.094 0.115 0.000 1.114 119 V CA -0.693 61.601 62.300 -0.009 0.000 0.940 119 V CB 1.586 33.184 31.823 -0.374 0.000 1.021 119 V HN 0.865 nan 8.190 nan 0.000 0.426 120 W N 6.756 128.081 121.300 0.042 0.000 2.357 120 W HA 0.717 5.377 4.660 -0.000 0.000 0.317 120 W C 0.117 176.676 176.519 0.067 0.000 1.101 120 W CA -0.040 57.321 57.345 0.028 0.000 1.380 120 W CB 1.081 30.597 29.460 0.092 0.000 1.266 120 W HN 0.829 nan 8.180 nan 0.000 0.419 121 A N 9.344 132.025 122.820 -0.233 0.000 3.370 121 A HA 0.288 4.608 4.320 -0.000 0.000 0.295 121 A C -1.527 175.820 177.584 -0.396 0.000 1.030 121 A CA -0.835 51.032 52.037 -0.283 0.000 0.883 121 A CB 0.390 19.302 19.000 -0.147 0.000 1.191 121 A HN 0.471 nan 8.150 nan 0.000 0.507 122 P HA -0.180 nan 4.420 nan 0.000 0.218 122 P C 1.213 178.131 177.300 -0.636 0.000 1.148 122 P CA 1.892 64.365 63.100 -1.044 0.000 0.822 122 P CB 0.290 30.891 31.700 -1.831 0.000 0.784 123 A N -0.803 121.780 122.820 -0.395 0.000 2.218 123 A HA 0.445 4.765 4.320 -0.000 0.000 0.209 123 A C 1.404 178.969 177.584 -0.032 0.000 1.168 123 A CA 0.288 52.251 52.037 -0.123 0.000 0.804 123 A CB -0.684 18.219 19.000 -0.162 0.000 0.834 123 A HN 0.303 nan 8.150 nan 0.000 0.482 124 A N -0.455 122.302 122.820 -0.105 0.000 2.272 124 A HA 0.490 4.810 4.320 -0.000 0.000 0.275 124 A C 1.247 178.799 177.584 -0.053 0.000 1.096 124 A CA 0.555 52.504 52.037 -0.148 0.000 0.822 124 A CB 0.157 18.970 19.000 -0.311 0.000 1.088 124 A HN 0.659 nan 8.150 nan 0.000 0.495 125 T N -2.769 111.696 114.554 -0.149 0.000 3.044 125 T HA 0.474 4.824 4.350 -0.000 0.000 0.260 125 T C 0.340 174.988 174.700 -0.086 0.000 1.019 125 T CA 0.514 62.581 62.100 -0.054 0.000 0.921 125 T CB -0.087 68.731 68.868 -0.082 0.000 1.053 125 T HN 0.922 nan 8.240 nan 0.000 0.533 126 S N -0.579 114.920 115.700 -0.334 0.000 2.597 126 S HA 0.716 5.186 4.470 -0.000 0.000 0.274 126 S C -2.034 172.200 174.600 -0.610 0.000 1.132 126 S CA -0.110 57.898 58.200 -0.320 0.000 0.835 126 S CB 1.199 64.321 63.200 -0.130 0.000 1.092 126 S HN 1.020 nan 8.310 nan 0.000 0.457 127 A N 0.972 123.601 122.820 -0.318 0.000 2.612 127 A HA 1.002 5.322 4.320 -0.000 0.000 0.293 127 A C -0.967 176.690 177.584 0.122 0.000 1.075 127 A CA -0.002 51.916 52.037 -0.199 0.000 0.680 127 A CB 1.008 19.607 19.000 -0.670 0.000 1.279 127 A HN 1.937 nan 8.150 nan 0.000 0.411 128 A N -0.412 122.515 122.820 0.178 0.000 2.610 128 A HA 0.803 5.123 4.320 -0.000 0.000 0.291 128 A C -1.588 176.105 177.584 0.182 0.000 1.086 128 A CA -0.085 52.047 52.037 0.157 0.000 0.677 128 A CB 1.124 20.186 19.000 0.102 0.000 1.278 128 A HN 2.200 nan 8.150 nan 0.000 0.414 129 V N 0.898 120.898 119.914 0.143 0.000 2.448 129 V HA 0.634 4.754 4.120 -0.000 0.000 0.295 129 V C -0.303 175.778 176.094 -0.022 0.000 1.025 129 V CA -0.561 61.817 62.300 0.131 0.000 0.859 129 V CB 1.345 33.115 31.823 -0.089 0.000 0.988 129 V HN 0.853 nan 8.190 nan 0.000 0.431 130 K N 7.069 127.461 120.400 -0.012 0.000 2.281 130 K HA 0.564 4.884 4.320 -0.000 0.000 0.272 130 K C -1.278 175.301 176.600 -0.035 0.000 1.048 130 K CA -0.541 55.709 56.287 -0.062 0.000 0.898 130 K CB 0.818 33.294 32.500 -0.041 0.000 1.128 130 K HN 0.729 nan 8.250 nan 0.000 0.460 131 L N 3.571 124.765 121.223 -0.048 0.000 2.295 131 L HA 0.422 4.762 4.340 -0.000 0.000 0.285 131 L C -0.191 176.760 176.870 0.135 0.000 1.035 131 L CA -0.588 54.305 54.840 0.089 0.000 0.806 131 L CB 1.707 43.825 42.059 0.098 0.000 1.214 131 L HN 0.719 nan 8.230 nan 0.000 0.426 132 S N 0.834 116.642 115.700 0.179 0.000 2.595 132 S HA 0.685 5.155 4.470 -0.000 0.000 0.281 132 S C -1.210 173.428 174.600 0.063 0.000 1.117 132 S CA -0.881 57.382 58.200 0.104 0.000 0.873 132 S CB 2.153 65.372 63.200 0.031 0.000 1.108 132 S HN 0.748 nan 8.310 nan 0.000 0.477 133 H N 0.239 119.220 119.070 -0.149 0.000 2.954 133 H HA 0.433 4.989 4.556 -0.000 0.000 0.361 133 H C -2.458 172.766 175.328 -0.173 0.000 1.122 133 H CA -1.568 54.306 56.048 -0.290 0.000 1.217 133 H CB 2.005 31.357 29.762 -0.683 0.000 1.776 133 H HN 0.431 nan 8.280 nan 0.000 0.533 134 P HA -0.209 nan 4.420 nan 0.000 0.217 134 P C -0.231 177.118 177.300 0.082 0.000 1.158 134 P CA 1.643 64.741 63.100 -0.003 0.000 0.887 134 P CB 0.199 31.851 31.700 -0.080 0.000 0.792 135 N N -2.215 116.609 118.700 0.206 0.000 2.571 135 N HA 0.199 4.939 4.740 -0.000 0.000 0.298 135 N C -0.264 175.220 175.510 -0.043 0.000 1.671 135 N CA -0.204 52.884 53.050 0.062 0.000 0.900 135 N CB 1.060 39.573 38.487 0.044 0.000 1.365 135 N HN 0.161 nan 8.380 nan 0.000 0.493 136 K N -0.053 120.305 120.400 -0.070 0.000 2.469 136 K HA 0.400 4.720 4.320 -0.000 0.000 0.268 136 K C -0.704 175.877 176.600 -0.031 0.000 1.027 136 K CA -0.697 55.504 56.287 -0.143 0.000 0.893 136 K CB 1.944 34.187 32.500 -0.428 0.000 1.460 136 K HN -0.092 nan 8.250 nan 0.000 0.449 137 S N 0.604 116.310 115.700 0.010 0.000 2.528 137 S HA 0.237 4.707 4.470 -0.000 0.000 0.277 137 S C 0.159 174.802 174.600 0.072 0.000 1.297 137 S CA -0.658 57.565 58.200 0.037 0.000 1.052 137 S CB 0.923 64.149 63.200 0.042 0.000 0.917 137 S HN 0.655 nan 8.310 nan 0.000 0.492 138 G N 2.533 111.353 108.800 0.033 0.000 2.476 138 G HA2 0.549 4.509 3.960 -0.000 0.000 0.269 138 G HA3 0.549 4.509 3.960 -0.000 0.000 0.269 138 G C -0.481 174.390 174.900 -0.048 0.000 1.195 138 G CA -0.640 44.472 45.100 0.021 0.000 0.843 138 G HN 0.520 nan 8.290 nan 0.000 0.545 139 R N 0.202 120.622 120.500 -0.133 0.000 2.566 139 R HA 0.439 4.779 4.340 -0.000 0.000 0.271 139 R C -1.397 174.576 176.300 -0.545 0.000 1.071 139 R CA -0.678 55.188 56.100 -0.389 0.000 0.915 139 R CB 1.746 31.735 30.300 -0.518 0.000 1.228 139 R HN 0.505 nan 8.270 nan 0.000 0.449 140 T N 3.270 117.464 114.554 -0.600 0.000 2.847 140 T HA 0.580 4.930 4.350 -0.000 0.000 0.291 140 T C -0.592 173.840 174.700 -0.447 0.000 0.998 140 T CA -0.341 61.495 62.100 -0.440 0.000 0.967 140 T CB 0.488 69.215 68.868 -0.235 0.000 0.954 140 T HN 0.263 nan 8.240 nan 0.000 0.441 141 F N 1.740 121.680 119.950 -0.017 0.000 2.469 141 F HA 0.460 4.987 4.527 -0.000 0.000 0.332 141 F C 0.838 176.650 175.800 0.020 0.000 1.103 141 F CA -1.278 56.723 58.000 0.001 0.000 0.979 141 F CB 1.558 40.566 39.000 0.012 0.000 1.137 141 F HN 0.335 nan 8.300 nan 0.000 0.463 142 Q N 3.038 122.983 119.800 0.242 0.000 2.373 142 Q HA 0.352 4.692 4.340 -0.000 0.000 0.255 142 Q C -0.903 175.207 176.000 0.184 0.000 0.980 142 Q CA -0.201 55.708 55.803 0.177 0.000 0.882 142 Q CB 0.976 29.805 28.738 0.151 0.000 1.249 142 Q HN 0.656 nan 8.270 nan 0.000 0.438 143 M N 1.338 121.050 119.600 0.186 0.000 2.537 143 M HA 0.337 4.817 4.480 -0.000 0.000 0.324 143 M C -0.472 175.972 176.300 0.240 0.000 1.187 143 M CA -0.554 54.865 55.300 0.198 0.000 0.993 143 M CB 2.130 34.844 32.600 0.191 0.000 1.666 143 M HN 0.504 nan 8.290 nan 0.000 0.461 144 T N 1.481 116.131 114.554 0.160 0.000 2.837 144 T HA 0.359 4.709 4.350 -0.000 0.000 0.285 144 T C -0.277 174.393 174.700 -0.051 0.000 0.984 144 T CA -0.664 61.488 62.100 0.085 0.000 1.049 144 T CB 0.956 69.839 68.868 0.025 0.000 0.947 144 T HN 0.519 nan 8.240 nan 0.000 0.472 145 R N 3.355 123.726 120.500 -0.216 0.000 2.298 145 R HA 0.453 4.793 4.340 -0.000 0.000 0.310 145 R C -0.376 175.720 176.300 -0.339 0.000 1.068 145 R CA -0.270 55.437 56.100 -0.655 0.000 0.957 145 R CB 0.159 30.016 30.300 -0.739 0.000 1.003 145 R HN 0.584 nan 8.270 nan 0.000 0.454 146 L N 1.762 122.787 121.223 -0.329 0.000 2.805 146 L HA 0.413 4.753 4.340 -0.000 0.000 0.242 146 L C 0.467 177.249 176.870 -0.148 0.000 1.180 146 L CA -1.178 53.555 54.840 -0.179 0.000 1.001 146 L CB 0.376 42.347 42.059 -0.146 0.000 1.864 146 L HN 0.547 nan 8.230 nan 0.000 0.551 147 E N 0.452 120.609 120.200 -0.071 0.000 2.371 147 E HA 0.081 4.431 4.350 -0.000 0.000 0.257 147 E C -0.338 176.270 176.600 0.014 0.000 1.134 147 E CA -0.291 56.101 56.400 -0.013 0.000 0.919 147 E CB 0.394 30.106 29.700 0.020 0.000 1.025 147 E HN 0.332 nan 8.360 nan 0.000 0.438 148 K N -0.195 120.265 120.400 0.101 0.000 3.160 148 K HA -0.195 4.125 4.320 -0.000 0.000 0.280 148 K C 0.729 177.484 176.600 0.259 0.000 1.154 148 K CA 0.944 57.371 56.287 0.233 0.000 0.822 148 K CB -2.307 30.360 32.500 0.278 0.000 1.239 148 K HN 1.023 nan 8.250 nan 0.000 0.489 149 G N -0.815 108.041 108.800 0.093 0.000 2.203 149 G HA2 -0.337 3.623 3.960 -0.000 0.000 0.263 149 G HA3 -0.337 3.623 3.960 -0.000 0.000 0.263 149 G C 0.186 174.898 174.900 -0.313 0.000 1.012 149 G CA 0.363 45.306 45.100 -0.261 0.000 0.749 149 G HN 0.274 nan 8.290 nan 0.000 0.512 150 V N 0.290 120.043 119.914 -0.269 0.000 2.439 150 V HA 0.551 4.671 4.120 -0.000 0.000 0.282 150 V C 0.088 175.972 176.094 -0.349 0.000 1.039 150 V CA -0.750 61.381 62.300 -0.282 0.000 0.913 150 V CB 1.080 32.578 31.823 -0.541 0.000 0.983 150 V HN 0.240 nan 8.190 nan 0.000 0.460 151 Y N 2.886 123.082 120.300 -0.174 0.000 2.342 151 Y HA 0.728 5.278 4.550 -0.000 0.000 0.334 151 Y C 0.416 176.248 175.900 -0.114 0.000 1.067 151 Y CA -0.203 57.818 58.100 -0.132 0.000 1.128 151 Y CB 1.901 40.276 38.460 -0.142 0.000 1.200 151 Y HN 0.747 nan 8.280 nan 0.000 0.464 152 A N 2.169 125.024 122.820 0.058 0.000 2.566 152 A HA 0.884 5.204 4.320 -0.000 0.000 0.292 152 A C -1.824 175.830 177.584 0.117 0.000 1.112 152 A CA -0.791 51.291 52.037 0.075 0.000 0.707 152 A CB 1.994 21.007 19.000 0.022 0.000 1.302 152 A HN 0.595 nan 8.150 nan 0.000 0.409 153 V N 0.398 120.416 119.914 0.174 0.000 2.882 153 V HA 0.601 4.721 4.120 -0.000 0.000 0.295 153 V C -1.029 175.193 176.094 0.215 0.000 1.273 153 V CA -0.160 62.244 62.300 0.173 0.000 0.949 153 V CB 2.403 34.349 31.823 0.206 0.000 1.071 153 V HN 1.086 nan 8.190 nan 0.000 0.432 154 T N 5.794 120.408 114.554 0.100 0.000 2.749 154 T HA 0.603 4.953 4.350 -0.000 0.000 0.287 154 T C -0.535 174.194 174.700 0.049 0.000 0.970 154 T CA -0.309 61.835 62.100 0.073 0.000 0.980 154 T CB 1.352 70.193 68.868 -0.044 0.000 0.924 154 T HN 0.527 nan 8.240 nan 0.000 0.456 155 V N 4.227 124.223 119.914 0.136 0.000 2.357 155 V HA 0.308 4.428 4.120 -0.000 0.000 0.284 155 V C 0.708 176.842 176.094 0.067 0.000 1.018 155 V CA -0.810 61.544 62.300 0.089 0.000 0.841 155 V CB 1.407 33.403 31.823 0.289 0.000 0.991 155 V HN 0.932 nan 8.190 nan 0.000 0.437 156 T N 4.105 118.654 114.554 -0.008 0.000 2.918 156 T HA 0.568 4.918 4.350 -0.000 0.000 0.302 156 T C 0.526 175.239 174.700 0.021 0.000 1.045 156 T CA 1.005 63.112 62.100 0.013 0.000 1.114 156 T CB 0.935 69.783 68.868 -0.032 0.000 0.965 156 T HN 1.493 nan 8.240 nan 0.000 0.540 157 G N 2.043 110.859 108.800 0.027 0.000 2.497 157 G HA2 0.036 3.996 3.960 -0.000 0.000 0.686 157 G HA3 0.036 3.996 3.960 -0.000 0.000 0.686 157 G C -1.256 173.656 174.900 0.019 0.000 1.288 157 G CA -0.864 44.249 45.100 0.022 0.000 0.899 157 G HN 0.770 nan 8.290 nan 0.000 0.608 158 D N 0.341 120.780 120.400 0.065 0.000 2.380 158 D HA 0.417 5.057 4.640 -0.000 0.000 0.230 158 D C 1.604 178.043 176.300 0.231 0.000 1.154 158 D CA -0.531 53.559 54.000 0.151 0.000 0.859 158 D CB 0.422 41.334 40.800 0.187 0.000 1.045 158 D HN 0.379 nan 8.370 nan 0.000 0.495 159 L N 3.363 124.737 121.223 0.253 0.000 2.627 159 L HA 0.048 4.388 4.340 -0.000 0.000 0.232 159 L C 1.237 178.356 176.870 0.416 0.000 1.150 159 L CA -0.198 54.757 54.840 0.192 0.000 0.917 159 L CB -0.572 41.540 42.059 0.088 0.000 1.104 159 L HN 0.508 nan 8.230 nan 0.000 0.445 160 H N 1.143 120.416 119.070 0.339 0.000 3.034 160 H HA 0.022 4.578 4.556 -0.000 0.000 0.324 160 H C 1.125 176.592 175.328 0.231 0.000 1.015 160 H CA 1.459 57.578 56.048 0.119 0.000 1.429 160 H CB 0.948 30.716 29.762 0.010 0.000 1.429 160 H HN 0.379 nan 8.280 nan 0.000 0.585 161 G N 4.182 112.640 108.800 -0.570 0.000 2.241 161 G HA2 -0.297 3.663 3.960 -0.000 0.000 0.244 161 G HA3 -0.297 3.663 3.960 -0.000 0.000 0.244 161 G C -0.199 174.593 174.900 -0.179 0.000 0.998 161 G CA 0.212 45.078 45.100 -0.391 0.000 0.621 161 G HN 0.645 nan 8.290 nan 0.000 0.519 162 Y N 2.309 122.606 120.300 -0.006 0.000 2.425 162 Y HA 0.462 5.012 4.550 -0.000 0.000 0.331 162 Y C 1.130 177.065 175.900 0.059 0.000 1.157 162 Y CA 0.070 58.226 58.100 0.095 0.000 1.372 162 Y CB 0.556 39.129 38.460 0.189 0.000 1.253 162 Y HN 0.306 nan 8.280 nan 0.000 0.536 163 E N 3.673 123.966 120.200 0.155 0.000 2.301 163 E HA 0.321 4.671 4.350 -0.000 0.000 0.275 163 E C -1.354 175.409 176.600 0.272 0.000 1.030 163 E CA -0.616 55.875 56.400 0.151 0.000 0.852 163 E CB 1.073 30.782 29.700 0.016 0.000 1.060 163 E HN 0.595 nan 8.360 nan 0.000 0.401 164 Y N -0.037 120.249 120.300 -0.024 0.000 2.588 164 Y HA 0.759 5.309 4.550 -0.000 0.000 0.343 164 Y C -1.534 174.256 175.900 -0.184 0.000 1.065 164 Y CA -1.337 56.706 58.100 -0.094 0.000 1.038 164 Y CB 1.363 39.763 38.460 -0.100 0.000 1.297 164 Y HN 0.324 nan 8.280 nan 0.000 0.467 165 L N 2.504 123.579 121.223 -0.246 0.000 2.469 165 L HA 0.542 4.882 4.340 -0.000 0.000 0.256 165 L C -1.412 175.370 176.870 -0.148 0.000 1.006 165 L CA -0.794 53.853 54.840 -0.321 0.000 0.832 165 L CB 3.084 45.065 42.059 -0.130 0.000 1.421 165 L HN 0.726 nan 8.230 nan 0.000 0.410 166 F N -0.047 119.899 119.950 -0.007 0.000 2.450 166 F HA 0.468 4.995 4.527 -0.000 0.000 0.332 166 F C -0.197 175.649 175.800 0.075 0.000 1.093 166 F CA -0.832 57.200 58.000 0.053 0.000 1.003 166 F CB 1.904 40.959 39.000 0.091 0.000 1.151 166 F HN 0.282 nan 8.300 nan 0.000 0.474 167 C N 4.912 124.412 119.300 0.333 0.000 2.298 167 C HA 0.586 5.046 4.460 -0.000 0.000 0.323 167 C C -0.390 174.815 174.990 0.359 0.000 1.284 167 C CA -0.773 58.451 59.018 0.344 0.000 1.577 167 C CB -0.097 27.819 27.740 0.293 0.000 2.249 167 C HN 0.358 nan 8.230 nan 0.000 0.497 168 I N 2.647 123.349 120.570 0.220 0.000 2.433 168 I HA 0.267 4.437 4.170 -0.000 0.000 0.292 168 I C 0.098 176.030 176.117 -0.309 0.000 1.001 168 I CA -0.603 60.652 61.300 -0.074 0.000 1.119 168 I CB 1.327 39.297 38.000 -0.050 0.000 1.289 168 I HN 0.641 nan 8.210 nan 0.000 0.438 169 C N 7.621 126.456 119.300 -0.774 0.000 2.203 169 C HA 0.463 4.923 4.460 -0.000 0.000 0.325 169 C C -0.141 174.530 174.990 -0.532 0.000 1.156 169 C CA -0.332 58.073 59.018 -1.021 0.000 1.597 169 C CB -1.459 25.207 27.740 -1.789 0.000 2.148 169 C HN 0.670 nan 8.230 nan 0.000 0.472 170 N N 3.539 122.043 118.700 -0.326 0.000 2.321 170 N HA 0.315 5.055 4.740 -0.000 0.000 0.299 170 N C -0.112 175.310 175.510 -0.147 0.000 1.048 170 N CA -0.163 52.775 53.050 -0.186 0.000 0.836 170 N CB 1.181 39.608 38.487 -0.099 0.000 1.269 170 N HN 0.800 nan 8.380 nan 0.000 0.486 171 N N 0.402 119.034 118.700 -0.114 0.000 2.735 171 N HA -0.235 4.505 4.740 -0.000 0.000 0.248 171 N C -0.484 174.961 175.510 -0.109 0.000 1.083 171 N CA 0.743 53.737 53.050 -0.093 0.000 0.703 171 N CB -0.758 37.700 38.487 -0.049 0.000 1.005 171 N HN 0.602 nan 8.380 nan 0.000 0.550 172 S N -1.764 113.844 115.700 -0.155 0.000 3.127 172 S HA -0.285 4.185 4.470 -0.000 0.000 0.281 172 S C 0.069 174.599 174.600 -0.116 0.000 1.293 172 S CA 1.674 59.790 58.200 -0.141 0.000 1.156 172 S CB -0.690 62.464 63.200 -0.077 0.000 1.389 172 S HN 0.750 nan 8.310 nan 0.000 0.672 173 E N -0.578 119.539 120.200 -0.139 0.000 2.158 173 E HA 0.417 4.767 4.350 -0.000 0.000 0.271 173 E C -0.795 175.745 176.600 -0.100 0.000 0.911 173 E CA -0.756 55.618 56.400 -0.044 0.000 0.767 173 E CB 0.835 30.535 29.700 0.000 0.000 1.120 173 E HN 0.347 nan 8.360 nan 0.000 0.405 174 W N 4.771 126.069 121.300 -0.003 0.000 2.316 174 W HA 0.352 5.012 4.660 -0.000 0.000 0.311 174 W C 0.093 176.617 176.519 0.010 0.000 1.217 174 W CA -0.355 56.987 57.345 -0.004 0.000 1.199 174 W CB 0.958 30.413 29.460 -0.008 0.000 1.202 174 W HN 0.290 nan 8.180 nan 0.000 0.528 175 M N 2.331 122.074 119.600 0.238 0.000 2.326 175 M HA 0.201 4.681 4.480 -0.000 0.000 0.306 175 M C -0.507 175.904 176.300 0.186 0.000 1.054 175 M CA -0.799 54.605 55.300 0.173 0.000 0.922 175 M CB 2.289 34.958 32.600 0.116 0.000 1.632 175 M HN 0.390 nan 8.290 nan 0.000 0.436 176 E N 1.454 121.741 120.200 0.144 0.000 2.227 176 E HA 0.447 4.797 4.350 -0.000 0.000 0.282 176 E C -1.133 175.529 176.600 0.103 0.000 1.015 176 E CA 0.005 56.476 56.400 0.118 0.000 0.823 176 E CB 1.373 31.117 29.700 0.073 0.000 1.081 176 E HN 0.615 nan 8.360 nan 0.000 0.396 177 T N 2.147 116.763 114.554 0.102 0.000 2.853 177 T HA 0.297 4.647 4.350 -0.000 0.000 0.311 177 T C -1.098 173.602 174.700 0.001 0.000 1.307 177 T CA -0.642 61.509 62.100 0.086 0.000 1.019 177 T CB 1.228 70.183 68.868 0.146 0.000 1.264 177 T HN 0.202 nan 8.240 nan 0.000 0.497 178 V N 3.070 122.971 119.914 -0.022 0.000 3.003 178 V HA 0.288 4.408 4.120 -0.000 0.000 0.305 178 V C 0.549 176.565 176.094 -0.131 0.000 1.078 178 V CA -0.351 61.844 62.300 -0.174 0.000 1.083 178 V CB 1.295 33.062 31.823 -0.092 0.000 1.039 178 V HN 0.945 nan 8.190 nan 0.000 0.481 179 D N 2.109 122.297 120.400 -0.353 0.000 2.425 179 D HA 0.056 4.696 4.640 -0.000 0.000 0.247 179 D C 1.006 177.379 176.300 0.122 0.000 1.147 179 D CA 0.309 54.255 54.000 -0.090 0.000 0.879 179 D CB 1.223 41.872 40.800 -0.252 0.000 1.179 179 D HN 0.552 nan 8.370 nan 0.000 0.456 180 Q N 2.433 122.391 119.800 0.264 0.000 2.291 180 Q HA -0.174 4.166 4.340 -0.000 0.000 0.206 180 Q C 0.587 176.694 176.000 0.178 0.000 0.976 180 Q CA 1.128 57.048 55.803 0.196 0.000 0.875 180 Q CB -0.023 28.797 28.738 0.136 0.000 0.927 180 Q HN 0.654 nan 8.270 nan 0.000 0.450 181 Y N -0.230 120.092 120.300 0.036 0.000 2.571 181 Y HA 0.348 4.898 4.550 -0.000 0.000 0.275 181 Y C 0.396 176.156 175.900 -0.233 0.000 1.179 181 Y CA -0.764 57.083 58.100 -0.421 0.000 1.242 181 Y CB 0.401 38.612 38.460 -0.415 0.000 1.126 181 Y HN -0.044 nan 8.280 nan 0.000 0.524 182 A N 0.895 123.764 122.820 0.082 0.000 2.545 182 A HA 0.027 4.347 4.320 -0.000 0.000 0.253 182 A C 1.030 178.671 177.584 0.095 0.000 1.074 182 A CA 0.085 52.167 52.037 0.076 0.000 0.760 182 A CB 0.168 19.103 19.000 -0.109 0.000 1.005 182 A HN 0.557 nan 8.150 nan 0.000 0.506 183 K N 1.209 121.662 120.400 0.088 0.000 2.404 183 K HA 0.368 4.688 4.320 -0.000 0.000 0.194 183 K C 0.249 176.929 176.600 0.132 0.000 1.023 183 K CA 0.845 57.187 56.287 0.091 0.000 1.094 183 K CB 0.348 32.864 32.500 0.026 0.000 0.841 183 K HN 0.790 nan 8.250 nan 0.000 0.523 184 A N 0.742 123.619 122.820 0.095 0.000 2.574 184 A HA 0.599 4.919 4.320 -0.000 0.000 0.297 184 A C -1.072 176.509 177.584 -0.004 0.000 1.062 184 A CA -0.785 51.290 52.037 0.062 0.000 0.686 184 A CB 1.413 20.446 19.000 0.054 0.000 1.285 184 A HN -0.039 nan 8.150 nan 0.000 0.403 185 V N -1.357 118.531 119.914 -0.043 0.000 3.188 185 V HA 0.933 5.053 4.120 -0.000 0.000 0.305 185 V C 0.119 176.164 176.094 -0.081 0.000 1.232 185 V CA -0.121 62.108 62.300 -0.118 0.000 1.043 185 V CB 1.146 32.829 31.823 -0.233 0.000 1.068 185 V HN 1.643 nan 8.190 nan 0.000 0.439 186 T N -0.805 113.695 114.554 -0.090 0.000 2.770 186 T HA 0.541 4.891 4.350 -0.000 0.000 0.281 186 T C 0.481 175.137 174.700 -0.073 0.000 0.981 186 T CA 0.052 62.112 62.100 -0.067 0.000 0.955 186 T CB 1.449 70.282 68.868 -0.058 0.000 1.060 186 T HN 1.614 nan 8.240 nan 0.000 0.531 187 V N 2.450 122.320 119.914 -0.075 0.000 2.644 187 V HA 0.052 4.172 4.120 -0.000 0.000 0.305 187 V C 0.486 176.527 176.094 -0.089 0.000 1.053 187 V CA 0.617 62.843 62.300 -0.124 0.000 1.186 187 V CB -0.985 30.744 31.823 -0.158 0.000 0.895 187 V HN 1.036 nan 8.190 nan 0.000 0.490 188 N N 4.093 122.724 118.700 -0.115 0.000 2.741 188 N HA -0.192 4.548 4.740 -0.000 0.000 0.250 188 N C 0.930 176.427 175.510 -0.022 0.000 1.115 188 N CA 1.581 54.579 53.050 -0.088 0.000 0.724 188 N CB -1.503 36.946 38.487 -0.064 0.000 1.090 188 N HN 1.739 nan 8.380 nan 0.000 0.558 189 G N -0.085 108.713 108.800 -0.003 0.000 2.361 189 G HA2 -0.365 3.595 3.960 -0.000 0.000 0.294 189 G HA3 -0.365 3.595 3.960 -0.000 0.000 0.294 189 G C 0.949 175.912 174.900 0.104 0.000 1.004 189 G CA 1.071 46.227 45.100 0.092 0.000 0.870 189 G HN 0.712 nan 8.290 nan 0.000 0.510 190 E N -0.642 119.564 120.200 0.010 0.000 2.107 190 E HA 0.014 4.364 4.350 -0.000 0.000 0.191 190 E C 1.172 177.742 176.600 -0.049 0.000 0.982 190 E CA 0.892 57.294 56.400 0.003 0.000 0.809 190 E CB 0.163 29.859 29.700 -0.007 0.000 0.756 190 E HN 0.600 nan 8.360 nan 0.000 0.459 191 K N -0.138 120.198 120.400 -0.107 0.000 2.477 191 K HA 0.428 4.748 4.320 -0.000 0.000 0.255 191 K C -0.347 176.108 176.600 -0.242 0.000 0.952 191 K CA -0.648 55.540 56.287 -0.165 0.000 0.826 191 K CB 2.202 34.638 32.500 -0.107 0.000 1.331 191 K HN -0.001 nan 8.250 nan 0.000 0.437 192 G N 0.328 108.904 108.800 -0.373 0.000 2.537 192 G HA2 0.509 4.469 3.960 -0.000 0.000 0.273 192 G HA3 0.509 4.469 3.960 -0.000 0.000 0.273 192 G C -0.908 173.995 174.900 0.004 0.000 1.189 192 G CA -0.369 44.507 45.100 -0.373 0.000 0.881 192 G HN 0.240 nan 8.290 nan 0.000 0.535 193 V N 0.266 120.307 119.914 0.212 0.000 2.733 193 V HA 0.293 4.413 4.120 -0.000 0.000 0.306 193 V C -0.172 176.036 176.094 0.189 0.000 1.084 193 V CA -0.736 61.690 62.300 0.210 0.000 0.905 193 V CB 1.907 33.744 31.823 0.024 0.000 1.010 193 V HN 0.587 nan 8.190 nan 0.000 0.424 194 V N 6.111 126.075 119.914 0.084 0.000 2.461 194 V HA 0.475 4.595 4.120 -0.000 0.000 0.275 194 V C -0.150 175.851 176.094 -0.156 0.000 1.047 194 V CA -0.129 62.133 62.300 -0.064 0.000 0.955 194 V CB 1.105 32.897 31.823 -0.052 0.000 0.988 194 V HN 0.612 nan 8.190 nan 0.000 0.471 195 L N 5.491 126.600 121.223 -0.190 0.000 2.431 195 L HA 0.610 4.950 4.340 -0.000 0.000 0.266 195 L C 0.171 176.852 176.870 -0.315 0.000 0.978 195 L CA -0.938 53.800 54.840 -0.169 0.000 0.822 195 L CB 2.343 44.367 42.059 -0.058 0.000 1.310 195 L HN 0.752 nan 8.230 nan 0.000 0.409 196 R N 1.625 121.954 120.500 -0.285 0.000 2.679 196 R HA 0.419 4.759 4.340 -0.000 0.000 0.269 196 R C -2.532 173.662 176.300 -0.176 0.000 1.076 196 R CA -1.376 54.358 56.100 -0.610 0.000 1.160 196 R CB -0.406 29.656 30.300 -0.397 0.000 1.054 196 R HN 0.192 nan 8.270 nan 0.000 0.507 197 P HA -0.054 nan 4.420 nan 0.000 0.264 197 P C -1.088 176.192 177.300 -0.032 0.000 1.183 197 P CA 0.233 63.326 63.100 -0.012 0.000 0.763 197 P CB 0.472 32.193 31.700 0.035 0.000 0.807 198 D N 1.476 121.855 120.400 -0.035 0.000 2.398 198 D HA 0.091 4.731 4.640 -0.000 0.000 0.247 198 D C 0.207 176.474 176.300 -0.054 0.000 1.227 198 D CA -0.461 53.510 54.000 -0.049 0.000 0.980 198 D CB 0.307 41.073 40.800 -0.056 0.000 1.106 198 D HN 0.153 nan 8.370 nan 0.000 0.493 199 Q N -0.457 119.302 119.800 -0.068 0.000 2.620 199 Q HA 0.218 4.558 4.340 -0.000 0.000 0.333 199 Q C -0.885 175.049 176.000 -0.111 0.000 1.017 199 Q CA -0.456 55.305 55.803 -0.070 0.000 0.962 199 Q CB -0.332 28.369 28.738 -0.061 0.000 1.297 199 Q HN 0.488 nan 8.270 nan 0.000 0.419 200 M N 1.273 120.781 119.600 -0.152 0.000 2.162 200 M HA 0.202 4.682 4.480 -0.000 0.000 0.356 200 M C -0.993 175.132 176.300 -0.291 0.000 1.303 200 M CA 0.108 55.227 55.300 -0.302 0.000 1.116 200 M CB 0.765 33.077 32.600 -0.480 0.000 1.632 200 M HN 0.046 nan 8.290 nan 0.000 0.469 201 K N 5.259 125.483 120.400 -0.293 0.000 2.347 201 K HA 0.274 4.594 4.320 -0.000 0.000 0.262 201 K C -1.657 174.836 176.600 -0.179 0.000 1.052 201 K CA -0.377 55.816 56.287 -0.156 0.000 0.946 201 K CB 0.466 32.915 32.500 -0.084 0.000 1.220 201 K HN 0.714 nan 8.250 nan 0.000 0.450 202 W N 2.094 123.388 121.300 -0.011 0.000 2.184 202 W HA 0.130 4.790 4.660 -0.000 0.000 0.338 202 W C 1.241 177.767 176.519 0.011 0.000 1.257 202 W CA -0.254 57.096 57.345 0.008 0.000 1.243 202 W CB 0.936 30.404 29.460 0.012 0.000 1.122 202 W HN 0.415 nan 8.180 nan 0.000 0.585 203 T N 1.456 116.180 114.554 0.283 0.000 2.732 203 T HA 0.491 4.841 4.350 -0.000 0.000 0.287 203 T C 0.295 175.075 174.700 0.133 0.000 0.993 203 T CA -0.408 61.786 62.100 0.157 0.000 0.966 203 T CB 0.202 69.147 68.868 0.128 0.000 1.047 203 T HN 0.553 nan 8.240 nan 0.000 0.527 204 A N 2.795 125.654 122.820 0.065 0.000 2.546 204 A HA 0.394 4.713 4.320 -0.000 0.000 0.243 204 A C -2.081 175.501 177.584 -0.003 0.000 1.063 204 A CA -0.855 51.198 52.037 0.027 0.000 0.757 204 A CB -0.891 18.113 19.000 0.006 0.000 0.991 204 A HN 0.696 nan 8.150 nan 0.000 0.503 205 P HA 0.156 nan 4.420 nan 0.000 0.265 205 P C -0.533 176.706 177.300 -0.102 0.000 1.193 205 P CA 0.204 63.250 63.100 -0.090 0.000 0.765 205 P CB 0.314 31.966 31.700 -0.080 0.000 0.823 206 L N 3.460 124.582 121.223 -0.169 0.000 2.397 206 L HA 0.218 4.558 4.340 -0.000 0.000 0.271 206 L C 1.394 178.215 176.870 -0.082 0.000 1.148 206 L CA -0.822 53.938 54.840 -0.133 0.000 0.825 206 L CB 0.300 42.238 42.059 -0.200 0.000 1.117 206 L HN 0.404 nan 8.230 nan 0.000 0.456 207 K N 3.174 123.547 120.400 -0.044 0.000 2.276 207 K HA 0.279 4.599 4.320 -0.000 0.000 0.259 207 K C -2.509 174.093 176.600 0.003 0.000 1.001 207 K CA -1.445 54.827 56.287 -0.025 0.000 0.927 207 K CB -0.201 32.285 32.500 -0.024 0.000 0.969 207 K HN 0.284 nan 8.250 nan 0.000 0.490 208 P HA -0.054 nan 4.420 nan 0.000 0.264 208 P C -0.471 176.888 177.300 0.098 0.000 1.183 208 P CA -0.068 63.066 63.100 0.057 0.000 0.763 208 P CB 0.189 31.911 31.700 0.036 0.000 0.807 209 F N 2.941 122.907 119.950 0.026 0.000 2.578 209 F HA -0.075 4.452 4.527 -0.000 0.000 0.376 209 F C 2.041 177.876 175.800 0.058 0.000 1.085 209 F CA 0.588 58.623 58.000 0.059 0.000 1.260 209 F CB 0.685 39.768 39.000 0.137 0.000 1.095 209 F HN 0.447 nan 8.300 nan 0.000 0.573 210 S N 3.695 119.058 115.700 -0.562 0.000 2.377 210 S HA -0.258 4.212 4.470 -0.000 0.000 0.224 210 S C 0.294 174.830 174.600 -0.106 0.000 1.042 210 S CA 1.723 59.722 58.200 -0.335 0.000 1.086 210 S CB -0.575 62.380 63.200 -0.408 0.000 0.995 210 S HN 0.881 nan 8.310 nan 0.000 0.428 211 H N -0.365 118.546 119.070 -0.266 0.000 3.094 211 H HA 0.367 4.923 4.556 -0.000 0.000 0.346 211 H C -2.750 172.674 175.328 0.161 0.000 1.238 211 H CA -1.149 54.892 56.048 -0.012 0.000 1.209 211 H CB 1.446 31.183 29.762 -0.042 0.000 1.911 211 H HN -0.152 nan 8.280 nan 0.000 0.540 212 P HA -0.207 nan 4.420 nan 0.000 0.216 212 P C 1.370 178.795 177.300 0.208 0.000 1.154 212 P CA 2.234 65.381 63.100 0.078 0.000 0.865 212 P CB 0.070 31.703 31.700 -0.112 0.000 0.789 213 V N -3.444 116.689 119.914 0.365 0.000 3.241 213 V HA -0.104 4.016 4.120 -0.000 0.000 0.269 213 V C 1.049 177.273 176.094 0.216 0.000 1.151 213 V CA 1.859 64.314 62.300 0.258 0.000 1.158 213 V CB -1.323 30.640 31.823 0.233 0.000 0.764 213 V HN -0.013 nan 8.190 nan 0.000 0.508 214 D N 1.061 121.624 120.400 0.271 0.000 2.339 214 D HA 0.397 5.037 4.640 -0.000 0.000 0.217 214 D C 0.990 177.550 176.300 0.433 0.000 1.050 214 D CA 0.880 55.013 54.000 0.221 0.000 0.856 214 D CB 0.640 41.441 40.800 0.002 0.000 0.922 214 D HN 0.689 nan 8.370 nan 0.000 0.518 215 A N 0.225 123.300 122.820 0.425 0.000 2.293 215 A HA 0.582 4.902 4.320 -0.000 0.000 0.302 215 A C -0.286 177.350 177.584 0.087 0.000 1.119 215 A CA -0.391 51.785 52.037 0.231 0.000 0.823 215 A CB 1.286 20.164 19.000 -0.205 0.000 1.097 215 A HN -0.046 nan 8.150 nan 0.000 0.491 216 V N 3.198 123.148 119.914 0.061 0.000 2.462 216 V HA 0.269 4.389 4.120 -0.000 0.000 0.288 216 V C -0.500 175.594 176.094 0.001 0.000 1.020 216 V CA -0.030 62.286 62.300 0.027 0.000 0.857 216 V CB 0.902 32.742 31.823 0.027 0.000 1.013 216 V HN 0.734 nan 8.190 nan 0.000 0.431 217 I N 4.396 124.935 120.570 -0.052 0.000 2.428 217 I HA 0.394 4.564 4.170 -0.000 0.000 0.289 217 I C -0.760 175.247 176.117 -0.182 0.000 1.019 217 I CA -0.492 60.745 61.300 -0.106 0.000 1.351 217 I CB 1.017 38.939 38.000 -0.131 0.000 1.412 217 I HN 0.607 nan 8.210 nan 0.000 0.513 218 Y N 5.538 125.662 120.300 -0.293 0.000 2.363 218 Y HA 0.271 4.821 4.550 -0.000 0.000 0.325 218 Y C -0.116 175.606 175.900 -0.296 0.000 0.984 218 Y CA -0.682 57.241 58.100 -0.295 0.000 1.248 218 Y CB 1.052 39.414 38.460 -0.163 0.000 1.116 218 Y HN 0.542 nan 8.280 nan 0.000 0.470 219 E N 4.566 124.393 120.200 -0.621 0.000 2.152 219 E HA 0.237 4.587 4.350 -0.000 0.000 0.285 219 E C -1.042 175.356 176.600 -0.338 0.000 1.043 219 E CA 0.028 56.219 56.400 -0.348 0.000 0.839 219 E CB 1.054 30.698 29.700 -0.093 0.000 1.069 219 E HN 0.639 nan 8.360 nan 0.000 0.399 220 T N 3.099 117.530 114.554 -0.205 0.000 2.903 220 T HA 0.227 4.577 4.350 -0.000 0.000 0.299 220 T C -1.660 173.018 174.700 -0.037 0.000 1.093 220 T CA -0.645 61.379 62.100 -0.126 0.000 1.002 220 T CB 1.030 69.841 68.868 -0.094 0.000 1.127 220 T HN 0.588 nan 8.240 nan 0.000 0.488 221 H N 3.412 122.470 119.070 -0.019 0.000 2.488 221 H HA 0.495 5.051 4.556 -0.000 0.000 0.322 221 H C 1.258 176.583 175.328 -0.005 0.000 1.078 221 H CA -0.671 55.369 56.048 -0.013 0.000 1.260 221 H CB 0.790 30.637 29.762 0.142 0.000 1.425 221 H HN 0.543 nan 8.280 nan 0.000 0.471 222 L N 3.478 124.435 121.223 -0.444 0.000 2.129 222 L HA -0.192 4.148 4.340 -0.000 0.000 0.212 222 L C 2.544 179.380 176.870 -0.057 0.000 1.087 222 L CA 1.500 56.100 54.840 -0.401 0.000 0.757 222 L CB -0.209 41.237 42.059 -1.023 0.000 0.896 222 L HN 0.687 nan 8.230 nan 0.000 0.434 223 R N 0.047 120.683 120.500 0.227 0.000 2.055 223 R HA -0.127 4.213 4.340 -0.000 0.000 0.226 223 R C 1.930 178.502 176.300 0.454 0.000 1.135 223 R CA 1.481 57.855 56.100 0.456 0.000 0.959 223 R CB -0.033 30.666 30.300 0.666 0.000 0.854 223 R HN 0.222 nan 8.270 nan 0.000 0.431 224 D N 0.489 121.217 120.400 0.548 0.000 2.106 224 D HA -0.234 4.406 4.640 -0.000 0.000 0.191 224 D C 1.583 178.077 176.300 0.324 0.000 0.997 224 D CA 1.312 55.532 54.000 0.367 0.000 0.834 224 D CB -0.548 40.444 40.800 0.321 0.000 0.956 224 D HN 0.185 nan 8.370 nan 0.000 0.448 225 F N 1.183 121.270 119.950 0.229 0.000 2.141 225 F HA -0.277 4.250 4.527 -0.000 0.000 0.300 225 F C 2.006 178.067 175.800 0.436 0.000 1.079 225 F CA 2.069 60.233 58.000 0.273 0.000 1.264 225 F CB 0.078 39.202 39.000 0.206 0.000 1.011 225 F HN 0.061 nan 8.300 nan 0.000 0.487 226 S N -2.299 113.566 115.700 0.276 0.000 2.787 226 S HA 0.121 4.591 4.470 -0.000 0.000 0.255 226 S C 1.372 176.085 174.600 0.189 0.000 1.051 226 S CA 0.113 58.419 58.200 0.176 0.000 1.124 226 S CB -0.721 62.580 63.200 0.169 0.000 1.104 226 S HN 0.212 nan 8.310 nan 0.000 0.623 227 I N 3.132 123.838 120.570 0.228 0.000 2.361 227 I HA -0.036 4.134 4.170 -0.000 0.000 0.251 227 I C 1.035 177.256 176.117 0.173 0.000 1.133 227 I CA 0.984 62.396 61.300 0.186 0.000 1.413 227 I CB -0.526 37.594 38.000 0.200 0.000 1.073 227 I HN 0.473 nan 8.210 nan 0.000 0.424 228 H N 2.221 121.376 119.070 0.141 0.000 3.094 228 H HA -0.078 4.478 4.556 -0.000 0.000 0.320 228 H C 1.311 176.685 175.328 0.077 0.000 1.000 228 H CA 0.992 57.116 56.048 0.126 0.000 1.413 228 H CB 0.704 30.592 29.762 0.209 0.000 1.405 228 H HN 0.529 nan 8.280 nan 0.000 0.586 229 E N 2.598 122.689 120.200 -0.181 0.000 2.273 229 E HA -0.251 4.099 4.350 -0.000 0.000 0.198 229 E C 0.998 177.641 176.600 0.072 0.000 1.002 229 E CA 1.424 57.786 56.400 -0.065 0.000 0.828 229 E CB -0.061 29.550 29.700 -0.147 0.000 0.747 229 E HN 0.651 nan 8.360 nan 0.000 0.491 230 N N 0.642 119.554 118.700 0.353 0.000 2.251 230 N HA 0.008 4.748 4.740 -0.000 0.000 0.217 230 N C 1.165 176.677 175.510 0.005 0.000 1.124 230 N CA 0.460 53.629 53.050 0.197 0.000 0.843 230 N CB 0.302 38.939 38.487 0.249 0.000 1.024 230 N HN 0.231 nan 8.380 nan 0.000 0.501 231 S N -0.447 115.227 115.700 -0.043 0.000 2.442 231 S HA -0.005 4.465 4.470 -0.000 0.000 0.236 231 S C 1.641 175.854 174.600 -0.645 0.000 1.007 231 S CA 1.227 59.061 58.200 -0.610 0.000 0.965 231 S CB -0.464 62.532 63.200 -0.340 0.000 0.773 231 S HN 0.435 nan 8.310 nan 0.000 0.504 232 G N 0.567 109.176 108.800 -0.319 0.000 2.162 232 G HA2 -0.269 3.691 3.960 -0.000 0.000 0.260 232 G HA3 -0.269 3.691 3.960 -0.000 0.000 0.260 232 G C -0.055 174.717 174.900 -0.214 0.000 0.976 232 G CA 0.585 45.529 45.100 -0.260 0.000 0.655 232 G HN 0.564 nan 8.290 nan 0.000 0.533 233 M N -0.300 119.182 119.600 -0.197 0.000 2.404 233 M HA 0.563 5.043 4.480 -0.000 0.000 0.338 233 M C 1.608 177.875 176.300 -0.056 0.000 1.150 233 M CA -0.780 54.452 55.300 -0.114 0.000 1.016 233 M CB 1.555 34.099 32.600 -0.094 0.000 1.672 233 M HN -0.004 nan 8.290 nan 0.000 0.448 234 I N 1.103 121.655 120.570 -0.030 0.000 2.193 234 I HA -0.166 4.004 4.170 -0.000 0.000 0.240 234 I C 0.916 177.039 176.117 0.010 0.000 1.084 234 I CA 0.864 62.157 61.300 -0.011 0.000 1.365 234 I CB -0.125 37.871 38.000 -0.007 0.000 1.064 234 I HN 0.669 nan 8.210 nan 0.000 0.410 235 N N 3.296 122.011 118.700 0.024 0.000 3.243 235 N HA 0.052 4.792 4.740 -0.000 0.000 0.310 235 N C -0.506 175.039 175.510 0.059 0.000 1.313 235 N CA 0.206 53.282 53.050 0.044 0.000 1.204 235 N CB -0.039 38.481 38.487 0.055 0.000 1.483 235 N HN 0.329 nan 8.380 nan 0.000 0.553 236 K N -0.032 120.400 120.400 0.053 0.000 2.453 236 K HA 0.018 4.338 4.320 -0.000 0.000 0.280 236 K C 1.123 177.784 176.600 0.102 0.000 1.045 236 K CA 0.371 56.703 56.287 0.075 0.000 1.059 236 K CB 0.289 32.825 32.500 0.061 0.000 0.901 236 K HN 0.498 nan 8.250 nan 0.000 0.475 237 G N 2.352 111.234 108.800 0.137 0.000 2.148 237 G HA2 -0.240 3.720 3.960 -0.000 0.000 0.254 237 G HA3 -0.240 3.720 3.960 -0.000 0.000 0.254 237 G C -0.157 174.813 174.900 0.117 0.000 0.981 237 G CA 0.205 45.403 45.100 0.163 0.000 0.670 237 G HN 0.458 nan 8.290 nan 0.000 0.528 238 K N -1.372 119.067 120.400 0.065 0.000 2.352 238 K HA 0.551 4.871 4.320 -0.000 0.000 0.240 238 K C 0.912 177.502 176.600 -0.017 0.000 1.017 238 K CA -1.049 55.240 56.287 0.003 0.000 0.851 238 K CB 0.612 33.145 32.500 0.054 0.000 1.261 238 K HN 0.035 nan 8.250 nan 0.000 0.451 239 Y N 0.537 120.873 120.300 0.059 0.000 2.114 239 Y HA -0.216 4.334 4.550 -0.000 0.000 0.282 239 Y C 2.112 178.017 175.900 0.009 0.000 1.165 239 Y CA 1.188 59.294 58.100 0.009 0.000 1.148 239 Y CB -0.249 38.236 38.460 0.041 0.000 0.972 239 Y HN 0.302 nan 8.280 nan 0.000 0.504 240 L N -0.665 120.673 121.223 0.193 0.000 2.353 240 L HA -0.213 4.127 4.340 -0.000 0.000 0.220 240 L C 2.645 179.564 176.870 0.083 0.000 1.133 240 L CA 0.560 55.466 54.840 0.110 0.000 0.798 240 L CB -0.739 41.373 42.059 0.088 0.000 0.922 240 L HN 0.264 nan 8.230 nan 0.000 0.445 241 A N 0.031 122.909 122.820 0.098 0.000 1.948 241 A HA -0.223 4.097 4.320 -0.000 0.000 0.220 241 A C 2.007 179.663 177.584 0.121 0.000 1.177 241 A CA 1.495 53.598 52.037 0.111 0.000 0.636 241 A CB -0.517 18.583 19.000 0.168 0.000 0.815 241 A HN 0.296 nan 8.150 nan 0.000 0.449 242 L N 0.668 121.951 121.223 0.101 0.000 2.610 242 L HA 0.002 4.342 4.340 -0.000 0.000 0.232 242 L C 2.269 179.136 176.870 -0.005 0.000 1.149 242 L CA 2.029 56.895 54.840 0.044 0.000 0.872 242 L CB -0.999 41.026 42.059 -0.056 0.000 0.992 242 L HN 0.678 nan 8.230 nan 0.000 0.447 243 T N -4.958 109.602 114.554 0.010 0.000 3.044 243 T HA 0.091 4.441 4.350 -0.000 0.000 0.250 243 T C 0.672 175.364 174.700 -0.014 0.000 1.081 243 T CA -0.285 61.811 62.100 -0.005 0.000 1.040 243 T CB -0.158 68.715 68.868 0.010 0.000 0.962 243 T HN 0.290 nan 8.240 nan 0.000 0.506 244 E N 3.625 123.820 120.200 -0.008 0.000 2.220 244 E HA 0.263 4.613 4.350 -0.000 0.000 0.272 244 E C 0.175 176.748 176.600 -0.045 0.000 1.099 244 E CA -0.324 56.066 56.400 -0.018 0.000 0.907 244 E CB 0.628 30.320 29.700 -0.014 0.000 1.022 244 E HN 0.533 nan 8.360 nan 0.000 0.428 245 T N 0.420 114.951 114.554 -0.038 0.000 2.913 245 T HA 0.081 4.431 4.350 -0.000 0.000 0.287 245 T C 0.319 175.002 174.700 -0.029 0.000 1.008 245 T CA -0.954 61.119 62.100 -0.046 0.000 1.067 245 T CB 0.791 69.673 68.868 0.023 0.000 0.996 245 T HN 0.459 nan 8.240 nan 0.000 0.513 246 D N 0.407 120.792 120.400 -0.024 0.000 2.701 246 D HA -0.136 4.503 4.640 -0.000 0.000 0.235 246 D C -0.133 176.140 176.300 -0.045 0.000 1.155 246 D CA 0.919 54.908 54.000 -0.019 0.000 0.649 246 D CB -1.517 39.282 40.800 -0.003 0.000 1.050 246 D HN 0.692 nan 8.370 nan 0.000 0.425 247 T N 0.448 114.959 114.554 -0.072 0.000 2.904 247 T HA 0.400 4.750 4.350 -0.000 0.000 0.290 247 T C 0.589 175.197 174.700 -0.153 0.000 1.018 247 T CA -0.318 61.709 62.100 -0.122 0.000 1.075 247 T CB 1.748 70.518 68.868 -0.164 0.000 0.986 247 T HN 0.317 nan 8.240 nan 0.000 0.523 248 Q N -0.335 119.356 119.800 -0.183 0.000 2.522 248 Q HA 0.541 4.881 4.340 -0.000 0.000 0.285 248 Q C -0.606 175.266 176.000 -0.213 0.000 0.982 248 Q CA -1.194 54.497 55.803 -0.186 0.000 0.805 248 Q CB 0.919 29.596 28.738 -0.101 0.000 1.457 248 Q HN 0.643 nan 8.270 nan 0.000 0.394 249 T N -1.710 112.722 114.554 -0.204 0.000 2.701 249 T HA 0.410 4.760 4.350 -0.000 0.000 0.303 249 T C 1.392 176.030 174.700 -0.103 0.000 1.030 249 T CA 0.107 62.107 62.100 -0.166 0.000 1.010 249 T CB 0.624 69.419 68.868 -0.122 0.000 1.007 249 T HN 0.817 nan 8.240 nan 0.000 0.532 250 A N 1.444 124.219 122.820 -0.074 0.000 1.917 250 A HA -0.140 4.180 4.320 -0.000 0.000 0.219 250 A C 2.056 179.610 177.584 -0.050 0.000 1.182 250 A CA 1.593 53.598 52.037 -0.053 0.000 0.633 250 A CB -0.947 18.032 19.000 -0.035 0.000 0.819 250 A HN 0.864 nan 8.150 nan 0.000 0.448 251 N N -0.729 117.940 118.700 -0.052 0.000 2.362 251 N HA 0.204 4.944 4.740 -0.000 0.000 0.204 251 N C 1.054 176.537 175.510 -0.045 0.000 1.166 251 N CA 0.981 54.003 53.050 -0.046 0.000 0.831 251 N CB 0.438 38.896 38.487 -0.049 0.000 1.008 251 N HN 0.714 nan 8.380 nan 0.000 0.472 252 G N -0.055 108.715 108.800 -0.051 0.000 2.176 252 G HA2 -0.270 3.690 3.960 -0.000 0.000 0.253 252 G HA3 -0.270 3.690 3.960 -0.000 0.000 0.253 252 G C 0.077 174.955 174.900 -0.037 0.000 0.979 252 G CA 0.007 45.081 45.100 -0.044 0.000 0.641 252 G HN 0.332 nan 8.290 nan 0.000 0.530 253 S N 1.090 116.765 115.700 -0.041 0.000 2.549 253 S HA 0.543 5.013 4.470 -0.000 0.000 0.279 253 S C 0.980 175.569 174.600 -0.019 0.000 1.321 253 S CA 0.270 58.462 58.200 -0.013 0.000 1.054 253 S CB 1.259 64.451 63.200 -0.013 0.000 0.899 253 S HN 1.527 nan 8.310 nan 0.000 0.497 254 S N 2.794 118.524 115.700 0.051 0.000 2.566 254 S HA 0.411 4.881 4.470 -0.000 0.000 0.280 254 S C 0.222 174.835 174.600 0.021 0.000 1.343 254 S CA -0.366 57.875 58.200 0.069 0.000 1.036 254 S CB 0.314 63.620 63.200 0.177 0.000 0.866 254 S HN 0.900 nan 8.310 nan 0.000 0.526 255 S N 1.333 116.950 115.700 -0.138 0.000 2.688 255 S HA 0.857 5.327 4.470 -0.000 0.000 0.275 255 S C 0.574 174.993 174.600 -0.302 0.000 1.175 255 S CA -0.320 57.515 58.200 -0.609 0.000 0.818 255 S CB 0.531 62.934 63.200 -1.328 0.000 1.157 255 S HN 2.375 nan 8.310 nan 0.000 0.482 256 G N 0.885 109.428 108.800 -0.428 0.000 2.594 256 G HA2 -0.283 3.677 3.960 -0.000 0.000 0.297 256 G HA3 -0.283 3.677 3.960 -0.000 0.000 0.297 256 G C 0.753 175.902 174.900 0.415 0.000 1.273 256 G CA 0.348 45.546 45.100 0.164 0.000 0.974 256 G HN 1.464 nan 8.290 nan 0.000 0.552 257 L N 0.319 121.664 121.223 0.204 0.000 2.013 257 L HA -0.081 4.259 4.340 -0.000 0.000 0.212 257 L C 3.404 180.286 176.870 0.020 0.000 1.073 257 L CA 3.033 57.899 54.840 0.043 0.000 0.753 257 L CB -0.982 40.996 42.059 -0.135 0.000 0.890 257 L HN 0.967 nan 8.230 nan 0.000 0.432 258 A N -0.942 121.887 122.820 0.016 0.000 1.908 258 A HA -0.332 3.988 4.320 -0.000 0.000 0.218 258 A C 2.108 179.748 177.584 0.092 0.000 1.181 258 A CA 1.968 54.022 52.037 0.028 0.000 0.627 258 A CB -1.094 17.918 19.000 0.021 0.000 0.818 258 A HN 0.649 nan 8.150 nan 0.000 0.445 259 Y N 0.577 120.907 120.300 0.051 0.000 2.145 259 Y HA -0.172 4.378 4.550 -0.000 0.000 0.286 259 Y C 2.358 178.298 175.900 0.065 0.000 1.145 259 Y CA 1.980 60.148 58.100 0.112 0.000 1.148 259 Y CB -0.447 38.177 38.460 0.273 0.000 0.981 259 Y HN 0.056 nan 8.280 nan 0.000 0.507 260 V N 0.840 120.791 119.914 0.063 0.000 2.343 260 V HA -0.292 3.828 4.120 -0.000 0.000 0.247 260 V C 2.377 178.331 176.094 -0.234 0.000 1.051 260 V CA 2.280 64.455 62.300 -0.208 0.000 1.036 260 V CB -0.787 30.991 31.823 -0.075 0.000 0.654 260 V HN 0.287 nan 8.190 nan 0.000 0.451 261 K N 1.015 121.348 120.400 -0.111 0.000 2.032 261 K HA -0.240 4.080 4.320 -0.000 0.000 0.209 261 K C 2.156 178.691 176.600 -0.107 0.000 1.048 261 K CA 2.205 58.444 56.287 -0.081 0.000 0.927 261 K CB -0.506 31.985 32.500 -0.016 0.000 0.712 261 K HN 0.552 nan 8.250 nan 0.000 0.441 262 E N 0.058 120.190 120.200 -0.114 0.000 2.118 262 E HA -0.187 4.163 4.350 -0.000 0.000 0.195 262 E C 1.988 178.476 176.600 -0.187 0.000 0.992 262 E CA 1.146 57.477 56.400 -0.114 0.000 0.804 262 E CB -0.147 29.511 29.700 -0.070 0.000 0.741 262 E HN 0.368 nan 8.360 nan 0.000 0.458 263 L N -0.538 120.484 121.223 -0.334 0.000 2.127 263 L HA -0.150 4.190 4.340 -0.000 0.000 0.211 263 L C 1.809 178.537 176.870 -0.236 0.000 1.089 263 L CA 1.323 55.946 54.840 -0.362 0.000 0.757 263 L CB -0.270 41.456 42.059 -0.557 0.000 0.899 263 L HN 0.600 nan 8.230 nan 0.000 0.434 264 G N -0.771 107.912 108.800 -0.195 0.000 2.163 264 G HA2 -0.227 3.733 3.960 -0.000 0.000 0.213 264 G HA3 -0.227 3.733 3.960 -0.000 0.000 0.213 264 G C 0.319 175.156 174.900 -0.105 0.000 0.991 264 G CA 0.059 45.083 45.100 -0.127 0.000 0.653 264 G HN 0.266 nan 8.290 nan 0.000 0.518 265 V N -0.455 119.367 119.914 -0.153 0.000 2.963 265 V HA 0.709 4.829 4.120 -0.000 0.000 0.306 265 V C 1.455 177.522 176.094 -0.045 0.000 1.077 265 V CA 1.376 63.615 62.300 -0.103 0.000 1.124 265 V CB 1.131 32.853 31.823 -0.169 0.000 0.987 265 V HN 0.982 nan 8.190 nan 0.000 0.487 266 T N -0.261 114.306 114.554 0.021 0.000 3.042 266 T HA 0.242 4.592 4.350 -0.000 0.000 0.245 266 T C 0.455 175.086 174.700 -0.115 0.000 1.029 266 T CA 0.477 62.592 62.100 0.024 0.000 1.120 266 T CB -0.267 68.710 68.868 0.181 0.000 0.917 266 T HN 0.827 nan 8.240 nan 0.000 0.467 267 H N 0.307 119.291 119.070 -0.144 0.000 2.609 267 H HA 0.681 5.237 4.556 -0.000 0.000 0.344 267 H C -1.189 174.089 175.328 -0.083 0.000 1.040 267 H CA -0.799 55.164 56.048 -0.141 0.000 1.216 267 H CB 1.926 31.576 29.762 -0.186 0.000 1.529 267 H HN 0.041 nan 8.280 nan 0.000 0.519 268 V N 2.982 122.902 119.914 0.010 0.000 2.364 268 V HA 0.136 4.256 4.120 -0.000 0.000 0.272 268 V C 0.375 176.445 176.094 -0.040 0.000 1.036 268 V CA -0.606 61.689 62.300 -0.007 0.000 0.880 268 V CB 1.008 32.788 31.823 -0.071 0.000 0.991 268 V HN 0.759 nan 8.190 nan 0.000 0.460 269 E N 5.410 125.584 120.200 -0.044 0.000 2.146 269 E HA 0.501 4.851 4.350 -0.000 0.000 0.282 269 E C -1.195 175.342 176.600 -0.104 0.000 0.989 269 E CA -0.585 55.788 56.400 -0.045 0.000 0.799 269 E CB 0.991 30.729 29.700 0.065 0.000 1.088 269 E HN 0.626 nan 8.360 nan 0.000 0.397 270 L N 4.850 125.982 121.223 -0.152 0.000 2.309 270 L HA 0.328 4.668 4.340 -0.000 0.000 0.282 270 L C -0.070 176.665 176.870 -0.225 0.000 1.036 270 L CA -1.062 53.658 54.840 -0.201 0.000 0.806 270 L CB 0.894 42.817 42.059 -0.226 0.000 1.220 270 L HN 0.527 nan 8.230 nan 0.000 0.429 271 L N 4.296 125.366 121.223 -0.255 0.000 2.479 271 L HA 0.166 4.506 4.340 -0.000 0.000 0.270 271 L C -1.888 174.770 176.870 -0.353 0.000 1.236 271 L CA -0.761 53.887 54.840 -0.321 0.000 0.823 271 L CB -0.441 41.438 42.059 -0.301 0.000 1.098 271 L HN 0.375 nan 8.230 nan 0.000 0.500 272 P HA -0.170 nan 4.420 nan 0.000 0.258 272 P C 0.127 177.364 177.300 -0.106 0.000 1.136 272 P CA 0.723 63.609 63.100 -0.357 0.000 0.761 272 P CB 0.232 31.604 31.700 -0.547 0.000 0.724 273 V N 2.420 122.249 119.914 -0.142 0.000 3.477 273 V HA 0.046 4.166 4.120 -0.000 0.000 0.297 273 V C 0.918 177.017 176.094 0.008 0.000 1.433 273 V CA 0.260 62.566 62.300 0.010 0.000 1.052 273 V CB -0.432 31.322 31.823 -0.115 0.000 0.895 273 V HN 0.587 nan 8.190 nan 0.000 0.438 274 N N -0.517 118.122 118.700 -0.101 0.000 2.463 274 N HA 0.154 4.894 4.740 -0.000 0.000 0.270 274 N C -0.393 175.136 175.510 0.032 0.000 1.205 274 N CA -0.520 52.541 53.050 0.019 0.000 0.974 274 N CB 0.383 38.836 38.487 -0.057 0.000 1.197 274 N HN -0.023 nan 8.380 nan 0.000 0.504 275 D N -0.402 120.010 120.400 0.021 0.000 2.450 275 D HA 0.141 4.781 4.640 -0.000 0.000 0.247 275 D C -1.011 175.182 176.300 -0.180 0.000 1.162 275 D CA 0.057 53.975 54.000 -0.138 0.000 0.879 275 D CB -0.111 40.699 40.800 0.017 0.000 1.163 275 D HN 0.477 nan 8.370 nan 0.000 0.472 276 F N 1.163 120.989 119.950 -0.207 0.000 2.664 276 F HA 0.846 5.373 4.527 -0.000 0.000 0.329 276 F C -0.614 175.011 175.800 -0.291 0.000 1.090 276 F CA -1.468 56.370 58.000 -0.269 0.000 0.978 276 F CB 0.737 39.583 39.000 -0.257 0.000 1.378 276 F HN 0.278 nan 8.300 nan 0.000 0.495 277 A N -0.103 122.684 122.820 -0.056 0.000 2.281 277 A HA 0.761 5.081 4.320 -0.000 0.000 0.329 277 A C 0.727 178.263 177.584 -0.080 0.000 1.122 277 A CA -0.243 51.625 52.037 -0.281 0.000 0.850 277 A CB 0.472 18.918 19.000 -0.923 0.000 1.207 277 A HN 2.139 nan 8.150 nan 0.000 0.495 278 G N -1.371 107.375 108.800 -0.091 0.000 2.421 278 G HA2 0.034 3.994 3.960 -0.000 0.000 0.188 278 G HA3 0.034 3.994 3.960 -0.000 0.000 0.188 278 G C -0.249 174.665 174.900 0.023 0.000 1.001 278 G CA 0.220 45.317 45.100 -0.005 0.000 0.693 278 G HN 1.553 nan 8.290 nan 0.000 0.479 279 V N 1.697 121.617 119.914 0.010 0.000 2.569 279 V HA 0.509 4.629 4.120 -0.000 0.000 0.301 279 V C -1.107 174.931 176.094 -0.093 0.000 1.044 279 V CA -1.006 61.274 62.300 -0.034 0.000 0.874 279 V CB 1.909 33.707 31.823 -0.042 0.000 1.002 279 V HN 0.286 nan 8.190 nan 0.000 0.424 280 D N 3.278 123.638 120.400 -0.065 0.000 2.339 280 D HA 0.127 4.767 4.640 -0.000 0.000 0.256 280 D C 1.062 177.304 176.300 -0.096 0.000 1.214 280 D CA 0.111 54.069 54.000 -0.070 0.000 0.877 280 D CB 1.423 42.203 40.800 -0.034 0.000 1.111 280 D HN 0.670 nan 8.370 nan 0.000 0.478 281 E N 2.206 122.324 120.200 -0.138 0.000 2.409 281 E HA -0.117 4.233 4.350 -0.000 0.000 0.198 281 E C 0.924 177.447 176.600 -0.128 0.000 1.024 281 E CA 0.547 56.843 56.400 -0.172 0.000 0.861 281 E CB 0.452 30.012 29.700 -0.233 0.000 0.788 281 E HN 0.496 nan 8.360 nan 0.000 0.521 282 E N 0.475 120.637 120.200 -0.065 0.000 2.385 282 E HA 0.003 4.353 4.350 -0.000 0.000 0.194 282 E C 0.183 176.791 176.600 0.012 0.000 1.013 282 E CA 0.616 57.020 56.400 0.007 0.000 0.866 282 E CB 0.397 30.119 29.700 0.037 0.000 0.832 282 E HN 0.173 nan 8.360 nan 0.000 0.500 283 K N 0.797 121.190 120.400 -0.011 0.000 3.262 283 K HA 0.187 4.507 4.320 -0.000 0.000 0.166 283 K C -2.276 174.317 176.600 -0.011 0.000 1.091 283 K CA -1.014 55.272 56.287 -0.002 0.000 0.798 283 K CB 1.592 34.094 32.500 0.004 0.000 0.953 283 K HN -0.172 nan 8.250 nan 0.000 0.588 284 P HA -0.191 nan 4.420 nan 0.000 0.218 284 P C 0.948 178.256 177.300 0.014 0.000 1.146 284 P CA 1.087 64.171 63.100 -0.026 0.000 0.813 284 P CB 0.300 31.975 31.700 -0.042 0.000 0.778 285 L N -0.869 120.368 121.223 0.025 0.000 2.509 285 L HA 0.031 4.371 4.340 -0.000 0.000 0.222 285 L C 1.735 178.628 176.870 0.038 0.000 1.123 285 L CA 0.611 55.477 54.840 0.043 0.000 0.856 285 L CB -0.669 41.412 42.059 0.037 0.000 0.985 285 L HN -0.151 nan 8.230 nan 0.000 0.456 286 D N 0.609 121.024 120.400 0.025 0.000 2.312 286 D HA 0.089 4.729 4.640 -0.000 0.000 0.211 286 D C 0.727 177.042 176.300 0.025 0.000 0.964 286 D CA 0.651 54.663 54.000 0.020 0.000 0.877 286 D CB 0.338 41.145 40.800 0.011 0.000 0.924 286 D HN 0.324 nan 8.370 nan 0.000 0.515 287 A N -0.999 121.845 122.820 0.039 0.000 2.602 287 A HA 0.587 4.907 4.320 -0.000 0.000 0.290 287 A C -1.885 175.764 177.584 0.109 0.000 1.114 287 A CA -0.725 51.344 52.037 0.052 0.000 0.683 287 A CB 1.330 20.345 19.000 0.025 0.000 1.281 287 A HN 0.020 nan 8.150 nan 0.000 0.416 288 Y N 1.280 121.558 120.300 -0.036 0.000 2.553 288 Y HA 0.741 5.291 4.550 -0.000 0.000 0.347 288 Y C -0.872 174.995 175.900 -0.055 0.000 1.019 288 Y CA -0.937 57.149 58.100 -0.024 0.000 1.032 288 Y CB 1.924 40.346 38.460 -0.065 0.000 1.284 288 Y HN 0.796 nan 8.280 nan 0.000 0.466 289 N N 3.664 121.980 118.700 -0.640 0.000 2.516 289 N HA 0.041 4.781 4.740 -0.000 0.000 0.268 289 N C -0.318 174.941 175.510 -0.419 0.000 1.096 289 N CA -0.398 52.439 53.050 -0.356 0.000 0.954 289 N CB 0.905 39.308 38.487 -0.139 0.000 1.676 289 N HN 0.826 nan 8.380 nan 0.000 0.490 290 W N 2.372 123.547 121.300 -0.208 0.000 2.342 290 W HA 0.054 4.714 4.660 -0.000 0.000 0.297 290 W C 1.591 177.751 176.519 -0.599 0.000 1.213 290 W CA 2.218 59.477 57.345 -0.144 0.000 1.251 290 W CB -0.512 29.042 29.460 0.156 0.000 1.136 290 W HN 0.895 nan 8.180 nan 0.000 0.526 291 G N -2.595 105.734 108.800 -0.784 0.000 2.159 291 G HA2 -0.267 3.693 3.960 -0.000 0.000 0.170 291 G HA3 -0.267 3.693 3.960 -0.000 0.000 0.170 291 G C -0.045 174.289 174.900 -0.943 0.000 1.007 291 G CA -0.213 43.841 45.100 -1.744 0.000 0.672 291 G HN 0.219 nan 8.290 nan 0.000 0.507 292 Y N 1.681 121.868 120.300 -0.188 0.000 2.740 292 Y HA 0.337 4.887 4.550 -0.000 0.000 0.356 292 Y C 0.939 176.902 175.900 0.105 0.000 1.101 292 Y CA -0.401 57.704 58.100 0.008 0.000 1.477 292 Y CB 0.057 38.617 38.460 0.167 0.000 1.296 292 Y HN 0.178 nan 8.280 nan 0.000 0.507 293 N N 1.170 119.902 118.700 0.054 0.000 2.844 293 N HA 0.204 4.944 4.740 -0.000 0.000 0.268 293 N C -3.097 172.428 175.510 0.024 0.000 1.574 293 N CA -1.468 51.666 53.050 0.141 0.000 0.838 293 N CB 1.142 39.587 38.487 -0.070 0.000 1.177 293 N HN 0.017 nan 8.380 nan 0.000 0.495 294 P HA 0.062 nan 4.420 nan 0.000 0.260 294 P C 0.625 177.744 177.300 -0.302 0.000 1.185 294 P CA 0.201 63.093 63.100 -0.348 0.000 0.763 294 P CB 1.018 32.362 31.700 -0.593 0.000 0.776 295 L N 2.593 123.569 121.223 -0.411 0.000 2.541 295 L HA 0.193 4.533 4.340 -0.000 0.000 0.187 295 L C 0.595 176.995 176.870 -0.783 0.000 1.098 295 L CA 0.424 54.944 54.840 -0.534 0.000 0.846 295 L CB 0.035 41.749 42.059 -0.575 0.000 1.151 295 L HN 0.412 nan 8.230 nan 0.000 0.492 296 H N -0.790 118.180 119.070 -0.167 0.000 2.727 296 H HA 0.236 4.792 4.556 -0.000 0.000 0.330 296 H C -0.159 175.189 175.328 0.033 0.000 0.986 296 H CA -0.673 55.373 56.048 -0.003 0.000 1.251 296 H CB 1.413 31.206 29.762 0.051 0.000 1.493 296 H HN -0.013 nan 8.280 nan 0.000 0.515 297 F N 0.544 120.739 119.950 0.410 0.000 2.615 297 F HA 0.012 4.539 4.527 -0.000 0.000 0.297 297 F C 1.327 177.379 175.800 0.420 0.000 1.124 297 F CA 0.631 58.862 58.000 0.385 0.000 1.451 297 F CB 0.098 39.389 39.000 0.484 0.000 1.103 297 F HN 0.373 nan 8.300 nan 0.000 0.569 298 F N -0.253 119.976 119.950 0.464 0.000 2.695 298 F HA 0.449 4.976 4.527 -0.000 0.000 0.303 298 F C 0.920 176.822 175.800 0.170 0.000 1.091 298 F CA -0.435 57.695 58.000 0.217 0.000 1.300 298 F CB -0.298 38.614 39.000 -0.145 0.000 1.071 298 F HN -0.204 nan 8.300 nan 0.000 0.578 299 A N 0.028 123.115 122.820 0.444 0.000 2.380 299 A HA 0.766 5.086 4.320 -0.000 0.000 0.315 299 A C -2.696 175.106 177.584 0.363 0.000 1.101 299 A CA -1.882 50.342 52.037 0.312 0.000 0.771 299 A CB 0.967 20.082 19.000 0.192 0.000 1.287 299 A HN -0.160 nan 8.150 nan 0.000 0.436 300 P HA 0.323 nan 4.420 nan 0.000 0.276 300 P C -0.528 176.857 177.300 0.143 0.000 1.244 300 P CA -0.294 62.971 63.100 0.275 0.000 0.801 300 P CB 0.574 32.400 31.700 0.209 0.000 1.006 301 E N 0.323 120.585 120.200 0.103 0.000 2.392 301 E HA 0.212 4.562 4.350 -0.000 0.000 0.264 301 E C 1.221 177.732 176.600 -0.148 0.000 1.024 301 E CA 0.290 56.554 56.400 -0.227 0.000 0.903 301 E CB -0.005 29.418 29.700 -0.462 0.000 0.963 301 E HN 0.522 nan 8.360 nan 0.000 0.432 302 G N 2.010 110.627 108.800 -0.305 0.000 2.539 302 G HA2 -0.158 3.802 3.960 -0.000 0.000 0.215 302 G HA3 -0.158 3.802 3.960 -0.000 0.000 0.215 302 G C 1.239 175.974 174.900 -0.275 0.000 1.141 302 G CA 0.473 45.449 45.100 -0.207 0.000 0.806 302 G HN 0.605 nan 8.290 nan 0.000 0.533 303 S N -0.108 115.305 115.700 -0.477 0.000 2.507 303 S HA -0.015 4.455 4.470 -0.000 0.000 0.235 303 S C 1.681 176.063 174.600 -0.364 0.000 0.988 303 S CA 0.493 58.441 58.200 -0.420 0.000 0.944 303 S CB -0.449 62.474 63.200 -0.461 0.000 0.762 303 S HN 0.337 nan 8.310 nan 0.000 0.526 304 Y N 1.843 121.941 120.300 -0.337 0.000 2.466 304 Y HA 0.595 5.145 4.550 -0.000 0.000 0.272 304 Y C 1.321 176.946 175.900 -0.458 0.000 1.169 304 Y CA -1.068 56.673 58.100 -0.598 0.000 1.285 304 Y CB -0.786 36.885 38.460 -1.316 0.000 1.078 304 Y HN 0.396 nan 8.280 nan 0.000 0.523 305 A N 0.057 122.875 122.820 -0.003 0.000 2.302 305 A HA 0.419 4.739 4.320 -0.000 0.000 0.285 305 A C 1.504 179.139 177.584 0.084 0.000 1.105 305 A CA 0.207 52.352 52.037 0.180 0.000 0.816 305 A CB 0.430 19.548 19.000 0.196 0.000 1.067 305 A HN 0.313 nan 8.150 nan 0.000 0.489 306 S N 0.938 116.702 115.700 0.106 0.000 2.382 306 S HA -0.131 4.338 4.470 -0.000 0.000 0.228 306 S C 0.654 175.289 174.600 0.058 0.000 1.027 306 S CA 1.363 59.605 58.200 0.071 0.000 0.991 306 S CB -0.375 62.868 63.200 0.072 0.000 0.823 306 S HN 0.819 nan 8.310 nan 0.000 0.469 307 N N 1.302 120.038 118.700 0.061 0.000 2.549 307 N HA 0.289 5.029 4.740 -0.000 0.000 0.281 307 N C -2.612 172.899 175.510 0.003 0.000 1.084 307 N CA -1.809 51.280 53.050 0.065 0.000 0.862 307 N CB 1.943 40.487 38.487 0.096 0.000 1.333 307 N HN -0.003 nan 8.380 nan 0.000 0.523 308 P HA -0.042 nan 4.420 nan 0.000 0.236 308 P C 0.428 177.563 177.300 -0.274 0.000 1.177 308 P CA 0.727 63.690 63.100 -0.228 0.000 0.773 308 P CB 0.243 31.747 31.700 -0.327 0.000 0.878 309 H N -0.291 118.768 119.070 -0.020 0.000 2.470 309 H HA 0.029 4.585 4.556 -0.000 0.000 0.289 309 H C 0.274 175.583 175.328 -0.032 0.000 1.033 309 H CA 0.759 56.789 56.048 -0.029 0.000 1.331 309 H CB -0.215 29.530 29.762 -0.027 0.000 1.414 309 H HN 0.220 nan 8.280 nan 0.000 0.545 310 D N 1.358 121.806 120.400 0.080 0.000 2.380 310 D HA 0.098 4.738 4.640 -0.000 0.000 0.230 310 D C -1.668 174.641 176.300 0.014 0.000 1.154 310 D CA -2.234 51.788 54.000 0.038 0.000 0.859 310 D CB 1.565 42.392 40.800 0.045 0.000 1.045 310 D HN -0.085 nan 8.370 nan 0.000 0.495 311 P HA -0.239 nan 4.420 nan 0.000 0.218 311 P C 1.061 178.371 177.300 0.017 0.000 1.154 311 P CA 1.206 64.300 63.100 -0.010 0.000 0.872 311 P CB 0.250 31.925 31.700 -0.041 0.000 0.790 312 Q N -1.015 118.798 119.800 0.021 0.000 2.172 312 Q HA -0.084 4.256 4.340 -0.000 0.000 0.200 312 Q C 1.898 177.921 176.000 0.037 0.000 0.964 312 Q CA 1.842 57.667 55.803 0.036 0.000 0.855 312 Q CB -1.358 27.409 28.738 0.048 0.000 0.918 312 Q HN 0.111 nan 8.270 nan 0.000 0.444 313 T N 1.390 115.968 114.554 0.040 0.000 2.665 313 T HA -0.251 4.099 4.350 -0.000 0.000 0.268 313 T C 1.581 176.322 174.700 0.069 0.000 1.035 313 T CA 1.940 64.069 62.100 0.049 0.000 1.151 313 T CB -0.343 68.559 68.868 0.057 0.000 0.862 313 T HN 0.601 nan 8.240 nan 0.000 0.438 314 R N 1.597 122.151 120.500 0.091 0.000 2.096 314 R HA -0.044 4.296 4.340 -0.000 0.000 0.235 314 R C 2.175 178.481 176.300 0.010 0.000 1.127 314 R CA 1.382 57.565 56.100 0.138 0.000 0.968 314 R CB -0.334 30.077 30.300 0.185 0.000 0.861 314 R HN 0.309 nan 8.270 nan 0.000 0.440 315 K N 0.444 120.881 120.400 0.062 0.000 2.025 315 K HA -0.042 4.278 4.320 -0.000 0.000 0.207 315 K C 2.209 178.825 176.600 0.027 0.000 1.049 315 K CA 2.003 58.361 56.287 0.118 0.000 0.933 315 K CB -0.218 32.358 32.500 0.128 0.000 0.714 315 K HN 0.171 nan 8.250 nan 0.000 0.438 316 T N 1.604 116.146 114.554 -0.020 0.000 2.746 316 T HA -0.132 4.218 4.350 -0.000 0.000 0.267 316 T C 1.585 176.233 174.700 -0.088 0.000 1.039 316 T CA 1.418 63.475 62.100 -0.073 0.000 1.142 316 T CB -0.132 68.704 68.868 -0.052 0.000 0.866 316 T HN 0.324 nan 8.240 nan 0.000 0.444 317 E N 0.462 120.630 120.200 -0.053 0.000 2.208 317 E HA -0.039 4.311 4.350 -0.000 0.000 0.193 317 E C 2.086 178.603 176.600 -0.139 0.000 0.988 317 E CA 0.503 56.886 56.400 -0.028 0.000 0.828 317 E CB -0.161 29.613 29.700 0.123 0.000 0.763 317 E HN 0.243 nan 8.360 nan 0.000 0.478 318 L N 1.668 122.661 121.223 -0.383 0.000 2.109 318 L HA -0.105 4.235 4.340 -0.000 0.000 0.207 318 L C 1.817 178.643 176.870 -0.073 0.000 1.086 318 L CA 1.789 56.344 54.840 -0.476 0.000 0.760 318 L CB -0.115 41.571 42.059 -0.620 0.000 0.910 318 L HN -0.146 nan 8.230 nan 0.000 0.437 319 K N -0.826 119.564 120.400 -0.017 0.000 2.057 319 K HA -0.159 4.161 4.320 -0.000 0.000 0.206 319 K C 2.063 178.510 176.600 -0.256 0.000 1.050 319 K CA 1.736 57.972 56.287 -0.086 0.000 0.935 319 K CB -0.155 32.147 32.500 -0.330 0.000 0.715 319 K HN 0.509 nan 8.250 nan 0.000 0.439 320 Q N 0.308 119.978 119.800 -0.216 0.000 2.119 320 Q HA -0.117 4.223 4.340 -0.000 0.000 0.201 320 Q C 2.131 178.079 176.000 -0.085 0.000 0.972 320 Q CA 1.215 56.913 55.803 -0.175 0.000 0.847 320 Q CB -0.094 28.572 28.738 -0.120 0.000 0.903 320 Q HN 0.353 nan 8.270 nan 0.000 0.433 321 M N 0.558 120.129 119.600 -0.048 0.000 2.086 321 M HA -0.181 4.299 4.480 -0.000 0.000 0.261 321 M C 1.932 178.203 176.300 -0.048 0.000 1.067 321 M CA 1.597 56.885 55.300 -0.020 0.000 1.116 321 M CB 0.017 32.631 32.600 0.024 0.000 1.348 321 M HN 0.186 nan 8.290 nan 0.000 0.407 322 I N 0.403 120.949 120.570 -0.040 0.000 2.252 322 I HA -0.304 3.866 4.170 -0.000 0.000 0.245 322 I C 2.101 178.117 176.117 -0.168 0.000 1.102 322 I CA 1.382 62.621 61.300 -0.103 0.000 1.385 322 I CB -0.660 37.373 38.000 0.054 0.000 1.064 322 I HN 0.438 nan 8.210 nan 0.000 0.414 323 N N 0.406 119.120 118.700 0.024 0.000 2.188 323 N HA -0.151 4.589 4.740 -0.000 0.000 0.184 323 N C 1.716 177.285 175.510 0.098 0.000 1.018 323 N CA 1.760 54.891 53.050 0.135 0.000 0.858 323 N CB -0.057 38.425 38.487 -0.007 0.000 0.989 323 N HN 0.159 nan 8.380 nan 0.000 0.426 324 T N 0.669 115.248 114.554 0.043 0.000 2.788 324 T HA -0.044 4.306 4.350 -0.000 0.000 0.268 324 T C 1.861 176.663 174.700 0.170 0.000 1.044 324 T CA 0.863 63.031 62.100 0.113 0.000 1.139 324 T CB -0.249 68.653 68.868 0.056 0.000 0.867 324 T HN 0.170 nan 8.240 nan 0.000 0.454 325 L N 0.021 121.266 121.223 0.037 0.000 2.046 325 L HA -0.145 4.195 4.340 -0.000 0.000 0.208 325 L C 2.544 179.498 176.870 0.140 0.000 1.077 325 L CA 1.633 56.489 54.840 0.026 0.000 0.747 325 L CB -0.658 41.346 42.059 -0.091 0.000 0.896 325 L HN 0.456 nan 8.230 nan 0.000 0.432 326 H N -0.802 118.318 119.070 0.084 0.000 2.353 326 H HA -0.194 4.362 4.556 -0.000 0.000 0.300 326 H C 2.387 177.750 175.328 0.058 0.000 1.090 326 H CA 1.087 57.172 56.048 0.062 0.000 1.327 326 H CB 0.100 29.917 29.762 0.093 0.000 1.383 326 H HN 0.404 nan 8.280 nan 0.000 0.508 327 Q N 0.031 119.956 119.800 0.209 0.000 2.197 327 Q HA -0.152 4.188 4.340 -0.000 0.000 0.207 327 Q C 0.896 176.842 176.000 -0.090 0.000 0.984 327 Q CA 1.061 56.895 55.803 0.051 0.000 0.869 327 Q CB 0.112 28.869 28.738 0.030 0.000 0.906 327 Q HN 0.705 nan 8.270 nan 0.000 0.426 328 H N -1.454 117.642 119.070 0.043 0.000 2.537 328 H HA 0.180 4.736 4.556 -0.000 0.000 0.295 328 H C 0.909 176.245 175.328 0.013 0.000 1.054 328 H CA 0.479 56.539 56.048 0.020 0.000 1.156 328 H CB 0.650 30.417 29.762 0.009 0.000 1.468 328 H HN 0.458 nan 8.280 nan 0.000 0.551 329 G N 1.329 110.181 108.800 0.087 0.000 2.155 329 G HA2 -0.283 3.677 3.960 -0.000 0.000 0.257 329 G HA3 -0.283 3.677 3.960 -0.000 0.000 0.257 329 G C 0.158 175.083 174.900 0.042 0.000 0.983 329 G CA 0.117 45.248 45.100 0.053 0.000 0.676 329 G HN 0.302 nan 8.290 nan 0.000 0.528 330 L N -0.322 120.939 121.223 0.063 0.000 2.334 330 L HA 0.698 5.038 4.340 -0.000 0.000 0.275 330 L C 1.015 177.886 176.870 0.001 0.000 1.036 330 L CA -1.036 53.798 54.840 -0.010 0.000 0.807 330 L CB 1.338 43.385 42.059 -0.020 0.000 1.231 330 L HN 0.103 nan 8.230 nan 0.000 0.438 331 R N 1.013 121.397 120.500 -0.194 0.000 2.758 331 R HA 0.759 5.099 4.340 -0.000 0.000 0.265 331 R C -1.303 174.892 176.300 -0.176 0.000 1.016 331 R CA -0.894 55.074 56.100 -0.219 0.000 1.040 331 R CB 2.309 32.198 30.300 -0.686 0.000 1.152 331 R HN 0.273 nan 8.270 nan 0.000 0.503 332 V N 2.806 122.666 119.914 -0.090 0.000 2.540 332 V HA 0.458 4.578 4.120 -0.000 0.000 0.302 332 V C -0.350 175.668 176.094 -0.126 0.000 1.035 332 V CA -0.651 61.586 62.300 -0.106 0.000 0.873 332 V CB 1.836 33.575 31.823 -0.138 0.000 0.992 332 V HN 0.549 nan 8.190 nan 0.000 0.428 333 I N 5.146 125.637 120.570 -0.131 0.000 2.404 333 I HA 0.432 4.602 4.170 -0.000 0.000 0.293 333 I C -1.053 174.871 176.117 -0.322 0.000 0.992 333 I CA -0.763 60.403 61.300 -0.223 0.000 1.149 333 I CB 1.897 39.865 38.000 -0.053 0.000 1.315 333 I HN 0.303 nan 8.210 nan 0.000 0.446 334 L N 5.480 126.381 121.223 -0.537 0.000 2.295 334 L HA 0.350 4.690 4.340 -0.000 0.000 0.285 334 L C -0.043 176.600 176.870 -0.379 0.000 1.035 334 L CA -0.217 54.340 54.840 -0.472 0.000 0.806 334 L CB 1.066 42.772 42.059 -0.587 0.000 1.214 334 L HN 0.445 nan 8.230 nan 0.000 0.426 335 D N 3.073 123.288 120.400 -0.309 0.000 2.325 335 D HA 0.309 4.949 4.640 -0.000 0.000 0.251 335 D C -0.711 175.406 176.300 -0.304 0.000 1.196 335 D CA -0.046 53.806 54.000 -0.247 0.000 0.866 335 D CB 0.966 41.664 40.800 -0.171 0.000 1.101 335 D HN 0.255 nan 8.370 nan 0.000 0.476 336 V N 1.490 121.198 119.914 -0.343 0.000 2.715 336 V HA 0.596 4.716 4.120 -0.000 0.000 0.310 336 V C 0.040 175.917 176.094 -0.362 0.000 1.054 336 V CA -0.908 61.103 62.300 -0.482 0.000 0.928 336 V CB 1.912 33.333 31.823 -0.669 0.000 1.007 336 V HN 0.215 nan 8.190 nan 0.000 0.437 337 V N 4.033 123.717 119.914 -0.383 0.000 2.233 337 V HA 0.346 4.466 4.120 -0.000 0.000 0.261 337 V C -0.110 176.002 176.094 0.030 0.000 1.076 337 V CA 0.067 62.321 62.300 -0.078 0.000 1.001 337 V CB -0.287 31.548 31.823 0.020 0.000 1.206 337 V HN 0.848 nan 8.190 nan 0.000 0.468 338 F N 1.993 122.117 119.950 0.291 0.000 2.693 338 F HA 0.158 4.685 4.527 -0.000 0.000 0.303 338 F C 1.911 177.818 175.800 0.179 0.000 1.143 338 F CA -0.310 57.811 58.000 0.201 0.000 1.389 338 F CB -0.291 38.798 39.000 0.147 0.000 1.060 338 F HN 0.540 nan 8.300 nan 0.000 0.535 339 N N 0.338 119.244 118.700 0.343 0.000 2.325 339 N HA -0.012 4.728 4.740 -0.000 0.000 0.182 339 N C 0.153 175.909 175.510 0.410 0.000 1.088 339 N CA 0.546 53.791 53.050 0.324 0.000 0.879 339 N CB -0.004 38.669 38.487 0.309 0.000 0.983 339 N HN 0.478 nan 8.380 nan 0.000 0.471 340 H N -1.780 117.508 119.070 0.363 0.000 2.917 340 H HA 0.544 5.100 4.556 -0.000 0.000 0.299 340 H C -1.355 174.280 175.328 0.511 0.000 1.418 340 H CA -0.956 55.338 56.048 0.409 0.000 1.138 340 H CB 1.128 31.068 29.762 0.296 0.000 1.830 340 H HN -0.068 nan 8.280 nan 0.000 0.514 341 V N -1.587 118.665 119.914 0.563 0.000 3.126 341 V HA 0.515 4.635 4.120 -0.000 0.000 0.314 341 V C -0.986 175.392 176.094 0.474 0.000 1.138 341 V CA -1.176 61.383 62.300 0.433 0.000 1.034 341 V CB 1.820 33.969 31.823 0.543 0.000 1.075 341 V HN 0.967 nan 8.190 nan 0.000 0.442 342 Y N 2.068 122.479 120.300 0.186 0.000 2.359 342 Y HA 0.439 4.989 4.550 -0.000 0.000 0.334 342 Y C 0.844 176.805 175.900 0.102 0.000 1.058 342 Y CA -0.021 58.170 58.100 0.152 0.000 1.244 342 Y CB 0.389 38.893 38.460 0.074 0.000 1.187 342 Y HN 0.892 nan 8.280 nan 0.000 0.510 343 K N 5.343 125.492 120.400 -0.419 0.000 5.349 343 K HA -0.325 3.995 4.320 -0.000 0.000 0.360 343 K C 1.216 177.727 176.600 -0.148 0.000 0.960 343 K CA 0.839 56.919 56.287 -0.345 0.000 1.134 343 K CB -0.370 31.870 32.500 -0.432 0.000 1.782 343 K HN 0.916 nan 8.250 nan 0.000 0.408 344 R N 2.133 122.522 120.500 -0.185 0.000 2.133 344 R HA -0.274 4.066 4.340 -0.000 0.000 0.245 344 R C 1.221 177.410 176.300 -0.186 0.000 1.137 344 R CA 2.594 58.492 56.100 -0.337 0.000 0.947 344 R CB 0.009 29.900 30.300 -0.682 0.000 0.865 344 R HN 0.541 nan 8.270 nan 0.000 0.437 345 E N 0.294 120.410 120.200 -0.139 0.000 2.267 345 E HA -0.144 4.206 4.350 -0.000 0.000 0.197 345 E C 0.862 177.472 176.600 0.016 0.000 0.998 345 E CA 1.354 57.725 56.400 -0.047 0.000 0.830 345 E CB -0.110 29.562 29.700 -0.047 0.000 0.751 345 E HN 0.480 nan 8.360 nan 0.000 0.491 346 N N 0.251 118.958 118.700 0.011 0.000 2.187 346 N HA 0.050 4.790 4.740 -0.000 0.000 0.212 346 N C -0.374 175.186 175.510 0.083 0.000 1.152 346 N CA 0.241 53.320 53.050 0.048 0.000 0.872 346 N CB 0.604 39.107 38.487 0.026 0.000 1.025 346 N HN 0.146 nan 8.380 nan 0.000 0.514 347 S N 0.671 116.441 115.700 0.117 0.000 2.593 347 S HA 0.292 4.762 4.470 -0.000 0.000 0.269 347 S C -1.661 173.041 174.600 0.169 0.000 1.334 347 S CA -0.799 57.493 58.200 0.154 0.000 1.015 347 S CB 1.696 65.068 63.200 0.286 0.000 0.912 347 S HN -0.175 nan 8.310 nan 0.000 0.541 348 P HA -0.056 nan 4.420 nan 0.000 0.216 348 P C 1.007 178.412 177.300 0.175 0.000 1.150 348 P CA 1.011 64.162 63.100 0.086 0.000 0.837 348 P CB -0.084 31.611 31.700 -0.009 0.000 0.786 349 F N 0.144 120.156 119.950 0.104 0.000 2.069 349 F HA -0.176 4.351 4.527 -0.000 0.000 0.298 349 F C 2.429 178.479 175.800 0.417 0.000 1.113 349 F CA 1.420 59.450 58.000 0.050 0.000 1.214 349 F CB -1.432 37.495 39.000 -0.123 0.000 0.978 349 F HN -0.035 nan 8.300 nan 0.000 0.474 350 E N 0.413 121.008 120.200 0.659 0.000 2.150 350 E HA -0.142 4.208 4.350 -0.000 0.000 0.193 350 E C 1.906 178.700 176.600 0.323 0.000 0.985 350 E CA 1.305 58.005 56.400 0.500 0.000 0.814 350 E CB -0.191 29.732 29.700 0.370 0.000 0.752 350 E HN 0.261 nan 8.360 nan 0.000 0.466 351 K N -0.931 119.631 120.400 0.269 0.000 2.296 351 K HA 0.017 4.337 4.320 -0.000 0.000 0.200 351 K C 1.713 178.424 176.600 0.186 0.000 1.048 351 K CA 1.316 57.718 56.287 0.191 0.000 0.966 351 K CB 0.229 32.827 32.500 0.164 0.000 0.754 351 K HN 0.110 nan 8.250 nan 0.000 0.466 352 T N 0.124 114.833 114.554 0.259 0.000 2.953 352 T HA 0.035 4.385 4.350 -0.000 0.000 0.247 352 T C 0.622 175.437 174.700 0.191 0.000 1.029 352 T CA 0.534 62.775 62.100 0.235 0.000 1.144 352 T CB 0.449 69.519 68.868 0.337 0.000 0.870 352 T HN -0.157 nan 8.240 nan 0.000 0.446 353 V N 3.333 123.438 119.914 0.318 0.000 2.454 353 V HA 0.321 4.441 4.120 -0.000 0.000 0.267 353 V C -2.925 173.332 176.094 0.270 0.000 0.993 353 V CA -2.221 60.190 62.300 0.186 0.000 0.836 353 V CB 1.054 32.935 31.823 0.097 0.000 1.055 353 V HN 0.122 nan 8.190 nan 0.000 0.452 354 P HA 0.200 nan 4.420 nan 0.000 0.261 354 P C 1.188 178.600 177.300 0.187 0.000 1.183 354 P CA 1.615 64.836 63.100 0.202 0.000 0.761 354 P CB 0.622 32.392 31.700 0.118 0.000 0.785 355 G N 2.065 111.034 108.800 0.283 0.000 2.184 355 G HA2 -0.379 3.581 3.960 -0.000 0.000 0.264 355 G HA3 -0.379 3.581 3.960 -0.000 0.000 0.264 355 G C 0.735 175.772 174.900 0.228 0.000 0.975 355 G CA 0.447 45.704 45.100 0.262 0.000 0.642 355 G HN 0.548 nan 8.290 nan 0.000 0.536 356 Y N 0.205 120.533 120.300 0.047 0.000 2.262 356 Y HA 0.433 4.983 4.550 -0.000 0.000 0.295 356 Y C 2.157 177.862 175.900 -0.325 0.000 1.121 356 Y CA 1.621 59.613 58.100 -0.180 0.000 1.144 356 Y CB -0.074 38.178 38.460 -0.348 0.000 1.043 356 Y HN 0.150 nan 8.280 nan 0.000 0.528 357 F N -0.354 119.538 119.950 -0.097 0.000 2.811 357 F HA 0.141 4.668 4.527 -0.000 0.000 0.301 357 F C -0.508 174.708 175.800 -0.973 0.000 1.151 357 F CA 0.216 57.799 58.000 -0.695 0.000 1.412 357 F CB -0.367 37.940 39.000 -1.154 0.000 1.113 357 F HN -0.162 nan 8.300 nan 0.000 0.579 358 F N -0.831 119.136 119.950 0.028 0.000 2.563 358 F HA 0.521 5.048 4.527 -0.000 0.000 0.316 358 F C 0.445 176.179 175.800 -0.110 0.000 1.076 358 F CA -1.610 56.371 58.000 -0.032 0.000 0.921 358 F CB 1.138 40.117 39.000 -0.035 0.000 1.209 358 F HN -0.432 nan 8.300 nan 0.000 0.462 359 R N 0.377 120.896 120.500 0.033 0.000 2.560 359 R HA 0.494 4.834 4.340 -0.000 0.000 0.270 359 R C -1.286 174.890 176.300 -0.207 0.000 1.074 359 R CA -0.796 55.305 56.100 0.003 0.000 1.140 359 R CB 0.758 31.070 30.300 0.020 0.000 1.073 359 R HN 0.647 nan 8.270 nan 0.000 0.527 360 H N -0.370 118.722 119.070 0.036 0.000 2.717 360 H HA 0.112 4.668 4.556 -0.000 0.000 0.366 360 H C -0.449 174.887 175.328 0.014 0.000 1.132 360 H CA -0.859 55.205 56.048 0.026 0.000 1.180 360 H CB 1.284 31.054 29.762 0.013 0.000 1.678 360 H HN 0.628 nan 8.280 nan 0.000 0.537 361 D N 0.640 121.103 120.400 0.104 0.000 2.249 361 D HA -0.094 4.546 4.640 -0.000 0.000 0.269 361 D C 1.164 177.498 176.300 0.057 0.000 1.220 361 D CA -0.278 53.758 54.000 0.060 0.000 1.016 361 D CB 0.409 41.230 40.800 0.035 0.000 1.133 361 D HN 0.705 nan 8.370 nan 0.000 0.533 362 E N -1.154 119.066 120.200 0.032 0.000 2.489 362 E HA 0.003 4.353 4.350 -0.000 0.000 0.193 362 E C 0.564 177.172 176.600 0.013 0.000 1.057 362 E CA 0.021 56.433 56.400 0.020 0.000 0.866 362 E CB -0.606 29.100 29.700 0.010 0.000 0.916 362 E HN 0.377 nan 8.360 nan 0.000 0.500 363 C N -0.120 119.192 119.300 0.020 0.000 3.336 363 C HA 0.517 4.977 4.460 -0.000 0.000 0.291 363 C C 1.502 176.501 174.990 0.014 0.000 1.363 363 C CA 0.127 59.151 59.018 0.010 0.000 1.737 363 C CB -0.133 27.611 27.740 0.007 0.000 2.274 363 C HN 0.655 nan 8.230 nan 0.000 0.663 364 G N 1.340 110.162 108.800 0.037 0.000 2.157 364 G HA2 -0.173 3.787 3.960 -0.000 0.000 0.239 364 G HA3 -0.173 3.787 3.960 -0.000 0.000 0.239 364 G C -0.167 174.816 174.900 0.138 0.000 0.982 364 G CA -0.089 45.035 45.100 0.040 0.000 0.650 364 G HN 0.368 nan 8.290 nan 0.000 0.527 365 K N 0.597 121.072 120.400 0.124 0.000 2.110 365 K HA 0.527 4.847 4.320 -0.000 0.000 0.263 365 K C -2.633 174.010 176.600 0.072 0.000 0.975 365 K CA -2.584 53.767 56.287 0.107 0.000 0.895 365 K CB 0.950 33.473 32.500 0.039 0.000 1.060 365 K HN -0.017 nan 8.250 nan 0.000 0.448 366 P HA -0.042 nan 4.420 nan 0.000 0.262 366 P C -0.167 177.067 177.300 -0.110 0.000 1.199 366 P CA 0.237 63.207 63.100 -0.217 0.000 0.763 366 P CB 0.285 31.870 31.700 -0.192 0.000 0.790 367 S N 2.514 118.154 115.700 -0.100 0.000 2.576 367 S HA 0.068 4.538 4.470 -0.000 0.000 0.272 367 S C 0.523 175.114 174.600 -0.015 0.000 1.352 367 S CA -0.204 57.979 58.200 -0.028 0.000 1.021 367 S CB 0.229 63.428 63.200 -0.002 0.000 0.887 367 S HN 0.436 nan 8.310 nan 0.000 0.542 368 N N -0.048 118.651 118.700 -0.003 0.000 2.622 368 N HA 0.305 5.045 4.740 -0.000 0.000 0.304 368 N C 1.002 176.517 175.510 0.009 0.000 1.844 368 N CA 0.169 53.217 53.050 -0.004 0.000 0.886 368 N CB -0.012 38.462 38.487 -0.022 0.000 1.366 368 N HN 0.710 nan 8.380 nan 0.000 0.491 369 G N -0.850 107.969 108.800 0.032 0.000 2.408 369 G HA2 -0.254 3.706 3.960 -0.000 0.000 0.217 369 G HA3 -0.254 3.706 3.960 -0.000 0.000 0.217 369 G C 1.399 176.330 174.900 0.052 0.000 1.150 369 G CA 1.588 46.715 45.100 0.045 0.000 0.776 369 G HN 0.495 nan 8.290 nan 0.000 0.542 370 T N -2.192 112.395 114.554 0.055 0.000 2.951 370 T HA 0.270 4.620 4.350 -0.000 0.000 0.268 370 T C 2.068 176.762 174.700 -0.011 0.000 1.073 370 T CA 1.203 63.332 62.100 0.048 0.000 1.134 370 T CB -0.283 68.617 68.868 0.053 0.000 0.884 370 T HN 1.402 nan 8.240 nan 0.000 0.479 371 G N 0.537 109.318 108.800 -0.031 0.000 2.141 371 G HA2 -0.254 3.706 3.960 -0.000 0.000 0.242 371 G HA3 -0.254 3.706 3.960 -0.000 0.000 0.242 371 G C 0.640 175.484 174.900 -0.094 0.000 0.982 371 G CA 0.418 45.487 45.100 -0.052 0.000 0.662 371 G HN 1.512 nan 8.290 nan 0.000 0.527 372 V N -3.479 116.348 119.914 -0.144 0.000 3.176 372 V HA 0.717 4.837 4.120 -0.000 0.000 0.332 372 V C 1.611 177.615 176.094 -0.149 0.000 1.414 372 V CA 0.994 63.175 62.300 -0.198 0.000 1.133 372 V CB -0.046 31.525 31.823 -0.419 0.000 1.088 372 V HN 2.053 nan 8.190 nan 0.000 0.473 373 G N 0.839 109.580 108.800 -0.098 0.000 2.253 373 G HA2 -0.182 3.778 3.960 -0.000 0.000 0.209 373 G HA3 -0.182 3.778 3.960 -0.000 0.000 0.209 373 G C -0.085 174.775 174.900 -0.067 0.000 0.997 373 G CA 0.152 45.204 45.100 -0.080 0.000 0.640 373 G HN 1.103 nan 8.290 nan 0.000 0.496 374 N N 0.064 118.758 118.700 -0.010 0.000 2.935 374 N HA 0.450 5.190 4.740 -0.000 0.000 0.248 374 N C -2.692 172.946 175.510 0.213 0.000 1.276 374 N CA -0.658 52.429 53.050 0.061 0.000 0.906 374 N CB 1.469 39.941 38.487 -0.024 0.000 1.564 374 N HN -0.077 nan 8.380 nan 0.000 0.500 375 D N 1.278 121.829 120.400 0.253 0.000 2.492 375 D HA 0.445 5.085 4.640 -0.000 0.000 0.248 375 D C 0.126 176.594 176.300 0.281 0.000 1.101 375 D CA -0.279 53.867 54.000 0.244 0.000 0.840 375 D CB 2.053 42.932 40.800 0.131 0.000 1.209 375 D HN 0.431 nan 8.370 nan 0.000 0.524 376 I N 1.508 122.214 120.570 0.226 0.000 2.533 376 I HA 0.084 4.254 4.170 -0.000 0.000 0.284 376 I C 0.960 177.036 176.117 -0.069 0.000 1.109 376 I CA -0.241 61.051 61.300 -0.012 0.000 1.412 376 I CB 0.846 38.852 38.000 0.009 0.000 1.396 376 I HN 0.400 nan 8.210 nan 0.000 0.543 377 A N 5.285 127.991 122.820 -0.190 0.000 3.048 377 A HA 0.100 4.420 4.320 -0.000 0.000 0.264 377 A C 1.630 179.105 177.584 -0.181 0.000 1.796 377 A CA 0.140 52.073 52.037 -0.174 0.000 1.445 377 A CB -0.583 18.264 19.000 -0.255 0.000 1.074 377 A HN 0.923 nan 8.150 nan 0.000 0.621 378 S N 1.043 116.681 115.700 -0.104 0.000 2.420 378 S HA -0.241 4.229 4.470 -0.000 0.000 0.237 378 S C 1.581 176.120 174.600 -0.102 0.000 1.023 378 S CA 1.351 59.500 58.200 -0.085 0.000 0.991 378 S CB -0.234 62.940 63.200 -0.042 0.000 0.792 378 S HN 0.824 nan 8.310 nan 0.000 0.488 379 E N 1.697 121.831 120.200 -0.110 0.000 2.274 379 E HA -0.064 4.286 4.350 -0.000 0.000 0.194 379 E C 0.611 177.129 176.600 -0.136 0.000 0.996 379 E CA 0.235 56.568 56.400 -0.111 0.000 0.840 379 E CB -0.405 29.242 29.700 -0.088 0.000 0.772 379 E HN 0.489 nan 8.360 nan 0.000 0.491 380 R N 1.213 121.593 120.500 -0.200 0.000 2.537 380 R HA 0.157 4.497 4.340 -0.000 0.000 0.280 380 R C 1.552 177.808 176.300 -0.074 0.000 1.058 380 R CA 0.061 56.029 56.100 -0.220 0.000 1.057 380 R CB 0.602 30.501 30.300 -0.668 0.000 0.973 380 R HN 0.081 nan 8.270 nan 0.000 0.438 381 R N 1.952 122.458 120.500 0.011 0.000 2.103 381 R HA -0.188 4.152 4.340 -0.000 0.000 0.242 381 R C 1.489 177.854 176.300 0.108 0.000 1.142 381 R CA 1.443 57.540 56.100 -0.006 0.000 0.960 381 R CB -0.138 30.138 30.300 -0.040 0.000 0.858 381 R HN 0.527 nan 8.270 nan 0.000 0.439 382 M N -0.427 119.259 119.600 0.142 0.000 2.492 382 M HA 0.039 4.519 4.480 -0.000 0.000 0.262 382 M C 2.133 178.610 176.300 0.296 0.000 1.090 382 M CA 0.815 56.130 55.300 0.024 0.000 1.110 382 M CB -0.540 31.657 32.600 -0.672 0.000 1.407 382 M HN 0.185 nan 8.290 nan 0.000 0.470 383 A N 0.167 123.145 122.820 0.264 0.000 1.898 383 A HA -0.114 4.206 4.320 -0.000 0.000 0.214 383 A C 2.328 179.995 177.584 0.138 0.000 1.183 383 A CA 1.270 53.436 52.037 0.216 0.000 0.622 383 A CB -0.541 18.460 19.000 0.001 0.000 0.824 383 A HN 0.448 nan 8.150 nan 0.000 0.444 384 R N 0.265 120.790 120.500 0.041 0.000 2.091 384 R HA -0.176 4.164 4.340 -0.000 0.000 0.238 384 R C 2.209 178.549 176.300 0.067 0.000 1.136 384 R CA 1.995 58.083 56.100 -0.020 0.000 0.959 384 R CB -0.274 29.932 30.300 -0.158 0.000 0.856 384 R HN 0.519 nan 8.270 nan 0.000 0.437 385 K N -0.306 120.177 120.400 0.138 0.000 2.057 385 K HA -0.194 4.126 4.320 -0.000 0.000 0.206 385 K C 1.966 178.748 176.600 0.303 0.000 1.050 385 K CA 1.551 57.987 56.287 0.249 0.000 0.935 385 K CB -0.333 32.335 32.500 0.281 0.000 0.715 385 K HN 0.203 nan 8.250 nan 0.000 0.439 386 F N 1.860 121.921 119.950 0.186 0.000 2.095 386 F HA -0.190 4.337 4.527 -0.000 0.000 0.298 386 F C 1.840 177.650 175.800 0.017 0.000 1.104 386 F CA 1.590 59.699 58.000 0.182 0.000 1.232 386 F CB -0.133 38.969 39.000 0.169 0.000 0.987 386 F HN -0.021 nan 8.300 nan 0.000 0.475 387 I N 0.158 120.742 120.570 0.023 0.000 2.226 387 I HA -0.309 3.861 4.170 -0.000 0.000 0.245 387 I C 2.688 178.569 176.117 -0.393 0.000 1.100 387 I CA 1.219 62.223 61.300 -0.494 0.000 1.374 387 I CB -0.918 36.801 38.000 -0.468 0.000 1.057 387 I HN 0.267 nan 8.210 nan 0.000 0.413 388 A N 0.445 123.213 122.820 -0.087 0.000 1.898 388 A HA -0.224 4.096 4.320 -0.000 0.000 0.216 388 A C 1.952 179.543 177.584 0.011 0.000 1.181 388 A CA 1.967 53.999 52.037 -0.007 0.000 0.620 388 A CB -0.588 18.530 19.000 0.198 0.000 0.819 388 A HN 0.319 nan 8.150 nan 0.000 0.442 389 D N -0.633 119.827 120.400 0.100 0.000 2.104 389 D HA -0.157 4.482 4.640 -0.000 0.000 0.194 389 D C 1.987 178.408 176.300 0.201 0.000 0.994 389 D CA 1.386 55.523 54.000 0.227 0.000 0.830 389 D CB -0.838 40.218 40.800 0.426 0.000 0.959 389 D HN 0.428 nan 8.370 nan 0.000 0.452 390 C N 0.213 119.452 119.300 -0.102 0.000 2.413 390 C HA -0.126 4.334 4.460 -0.000 0.000 0.277 390 C C 2.865 177.879 174.990 0.040 0.000 1.228 390 C CA 0.647 59.393 59.018 -0.454 0.000 1.731 390 C CB -0.915 26.448 27.740 -0.628 0.000 2.042 390 C HN 0.135 nan 8.230 nan 0.000 0.468 391 V N 0.531 120.400 119.914 -0.075 0.000 2.332 391 V HA -0.191 3.929 4.120 -0.000 0.000 0.248 391 V C 2.474 178.606 176.094 0.063 0.000 1.055 391 V CA 2.328 64.510 62.300 -0.197 0.000 1.038 391 V CB -0.711 30.868 31.823 -0.406 0.000 0.651 391 V HN 0.532 nan 8.190 nan 0.000 0.450 392 V N -0.965 119.002 119.914 0.088 0.000 2.427 392 V HA -0.280 3.840 4.120 -0.000 0.000 0.248 392 V C 2.188 178.410 176.094 0.213 0.000 1.051 392 V CA 2.351 64.735 62.300 0.141 0.000 1.048 392 V CB -0.786 31.103 31.823 0.110 0.000 0.666 392 V HN 0.682 nan 8.190 nan 0.000 0.456 393 Y N -0.264 120.118 120.300 0.136 0.000 2.145 393 Y HA -0.255 4.295 4.550 -0.000 0.000 0.286 393 Y C 2.118 178.078 175.900 0.100 0.000 1.145 393 Y CA 1.578 59.743 58.100 0.108 0.000 1.148 393 Y CB -0.468 38.072 38.460 0.134 0.000 0.981 393 Y HN 0.289 nan 8.280 nan 0.000 0.507 394 W N 0.302 121.692 121.300 0.151 0.000 2.374 394 W HA -0.152 4.508 4.660 -0.000 0.000 0.288 394 W C 2.224 178.823 176.519 0.135 0.000 1.218 394 W CA 1.349 58.788 57.345 0.157 0.000 1.245 394 W CB -0.468 29.178 29.460 0.310 0.000 1.126 394 W HN 0.100 nan 8.180 nan 0.000 0.545 395 L N -0.268 121.167 121.223 0.353 0.000 2.027 395 L HA -0.172 4.168 4.340 -0.000 0.000 0.206 395 L C 2.302 179.172 176.870 -0.001 0.000 1.074 395 L CA 1.475 56.434 54.840 0.198 0.000 0.745 395 L CB -0.723 41.468 42.059 0.219 0.000 0.898 395 L HN 0.004 nan 8.230 nan 0.000 0.433 396 E N -0.341 119.832 120.200 -0.044 0.000 2.028 396 E HA -0.236 4.114 4.350 -0.000 0.000 0.190 396 E C 2.031 178.478 176.600 -0.255 0.000 0.984 396 E CA 1.061 57.383 56.400 -0.131 0.000 0.800 396 E CB 0.050 29.716 29.700 -0.057 0.000 0.758 396 E HN 0.288 nan 8.360 nan 0.000 0.448 397 E N 0.121 120.081 120.200 -0.400 0.000 2.076 397 E HA -0.119 4.231 4.350 -0.000 0.000 0.190 397 E C 0.972 177.252 176.600 -0.534 0.000 0.979 397 E CA 1.154 57.217 56.400 -0.562 0.000 0.807 397 E CB 0.019 29.043 29.700 -1.127 0.000 0.761 397 E HN 0.301 nan 8.360 nan 0.000 0.454 398 Y N -0.415 119.758 120.300 -0.211 0.000 2.467 398 Y HA 0.267 4.817 4.550 -0.000 0.000 0.250 398 Y C 0.521 176.345 175.900 -0.127 0.000 1.155 398 Y CA 0.119 58.242 58.100 0.039 0.000 1.249 398 Y CB 0.307 38.879 38.460 0.186 0.000 1.146 398 Y HN -0.033 nan 8.280 nan 0.000 0.524 399 N N 0.592 119.135 118.700 -0.261 0.000 2.721 399 N HA -0.169 4.571 4.740 -0.000 0.000 0.249 399 N C -0.328 175.167 175.510 -0.024 0.000 1.072 399 N CA 0.736 53.579 53.050 -0.345 0.000 0.710 399 N CB -1.255 36.647 38.487 -0.976 0.000 0.993 399 N HN 0.228 nan 8.380 nan 0.000 0.547 400 V N -3.146 116.783 119.914 0.025 0.000 3.489 400 V HA 0.419 4.539 4.120 -0.000 0.000 0.297 400 V C 1.081 177.147 176.094 -0.047 0.000 1.071 400 V CA 0.337 62.622 62.300 -0.026 0.000 1.074 400 V CB 1.141 32.858 31.823 -0.177 0.000 1.188 400 V HN 0.203 nan 8.190 nan 0.000 0.458 401 D N 0.329 120.671 120.400 -0.097 0.000 2.535 401 D HA 0.467 5.107 4.640 -0.000 0.000 0.229 401 D C 0.485 176.755 176.300 -0.050 0.000 1.238 401 D CA 0.939 54.919 54.000 -0.034 0.000 0.824 401 D CB 1.074 41.877 40.800 0.006 0.000 1.045 401 D HN 1.132 nan 8.370 nan 0.000 0.500 402 G N 0.430 109.063 108.800 -0.278 0.000 2.336 402 G HA2 0.321 4.281 3.960 -0.000 0.000 0.300 402 G HA3 0.321 4.281 3.960 -0.000 0.000 0.300 402 G C -2.001 172.475 174.900 -0.707 0.000 1.375 402 G CA -1.002 43.965 45.100 -0.222 0.000 0.885 402 G HN -0.012 nan 8.290 nan 0.000 0.599 403 F N -0.085 119.694 119.950 -0.286 0.000 2.588 403 F HA 0.773 5.300 4.527 -0.000 0.000 0.310 403 F C 0.242 175.489 175.800 -0.922 0.000 1.082 403 F CA -0.971 56.670 58.000 -0.598 0.000 0.929 403 F CB 2.526 41.030 39.000 -0.828 0.000 1.254 403 F HN 0.436 nan 8.300 nan 0.000 0.455 404 R N 2.899 122.965 120.500 -0.724 0.000 2.288 404 R HA 0.399 4.739 4.340 -0.000 0.000 0.326 404 R C -1.906 174.113 176.300 -0.468 0.000 0.959 404 R CA -0.465 55.165 56.100 -0.784 0.000 0.834 404 R CB 0.307 30.366 30.300 -0.402 0.000 1.157 404 R HN 0.576 nan 8.270 nan 0.000 0.470 405 F N 3.001 122.826 119.950 -0.208 0.000 2.413 405 F HA 0.117 4.644 4.527 -0.000 0.000 0.359 405 F C 0.936 176.722 175.800 -0.023 0.000 1.122 405 F CA -0.375 57.587 58.000 -0.064 0.000 1.160 405 F CB 0.645 39.618 39.000 -0.045 0.000 1.146 405 F HN 0.471 nan 8.300 nan 0.000 0.514 406 D N 4.009 124.494 120.400 0.140 0.000 2.458 406 D HA 0.092 4.732 4.640 -0.000 0.000 0.243 406 D C 0.507 176.889 176.300 0.137 0.000 1.146 406 D CA 0.228 54.300 54.000 0.121 0.000 0.877 406 D CB 0.511 41.414 40.800 0.171 0.000 1.176 406 D HN 0.587 nan 8.370 nan 0.000 0.461 407 L N 3.674 124.936 121.223 0.065 0.000 3.854 407 L HA -0.248 4.092 4.340 -0.000 0.000 0.460 407 L C 1.450 178.372 176.870 0.087 0.000 1.228 407 L CA -0.245 54.639 54.840 0.074 0.000 0.760 407 L CB -1.066 41.084 42.059 0.151 0.000 1.597 407 L HN 0.730 nan 8.230 nan 0.000 0.852 408 L N 0.552 121.802 121.223 0.046 0.000 2.129 408 L HA -0.182 4.158 4.340 -0.000 0.000 0.212 408 L C 2.250 179.146 176.870 0.043 0.000 1.087 408 L CA 2.289 57.154 54.840 0.043 0.000 0.757 408 L CB -0.259 41.791 42.059 -0.014 0.000 0.896 408 L HN 0.708 nan 8.230 nan 0.000 0.434 409 G N -0.383 108.450 108.800 0.054 0.000 2.535 409 G HA2 -0.202 3.758 3.960 -0.000 0.000 0.218 409 G HA3 -0.202 3.758 3.960 -0.000 0.000 0.218 409 G C 1.373 176.322 174.900 0.081 0.000 1.122 409 G CA 0.145 45.295 45.100 0.083 0.000 0.769 409 G HN 0.326 nan 8.290 nan 0.000 0.549 410 I N -0.062 120.563 120.570 0.092 0.000 3.030 410 I HA 0.190 4.360 4.170 -0.000 0.000 0.270 410 I C 0.721 176.879 176.117 0.069 0.000 1.211 410 I CA 0.031 61.388 61.300 0.095 0.000 1.479 410 I CB -0.578 37.503 38.000 0.135 0.000 1.105 410 I HN -0.005 nan 8.210 nan 0.000 0.447 411 L N 1.859 123.113 121.223 0.052 0.000 2.418 411 L HA 0.129 4.469 4.340 -0.000 0.000 0.265 411 L C 0.610 177.473 176.870 -0.011 0.000 1.143 411 L CA -0.052 54.796 54.840 0.013 0.000 0.809 411 L CB 0.235 42.281 42.059 -0.022 0.000 1.124 411 L HN 0.185 nan 8.230 nan 0.000 0.456 412 D N 1.663 122.045 120.400 -0.029 0.000 2.264 412 D HA 0.115 4.755 4.640 -0.000 0.000 0.249 412 D C 1.196 177.471 176.300 -0.043 0.000 1.070 412 D CA -0.403 53.577 54.000 -0.034 0.000 0.912 412 D CB 1.309 42.084 40.800 -0.041 0.000 1.193 412 D HN 0.411 nan 8.370 nan 0.000 0.427 413 I N 0.601 121.151 120.570 -0.033 0.000 2.208 413 I HA -0.299 3.871 4.170 -0.000 0.000 0.245 413 I C 1.612 177.712 176.117 -0.028 0.000 1.097 413 I CA 1.299 62.583 61.300 -0.027 0.000 1.363 413 I CB -0.219 37.772 38.000 -0.015 0.000 1.051 413 I HN 0.358 nan 8.210 nan 0.000 0.413 414 D N 0.426 120.809 120.400 -0.029 0.000 2.149 414 D HA -0.152 4.488 4.640 -0.000 0.000 0.198 414 D C 2.218 178.513 176.300 -0.009 0.000 0.990 414 D CA 1.512 55.499 54.000 -0.022 0.000 0.839 414 D CB -0.371 40.402 40.800 -0.045 0.000 0.948 414 D HN 0.260 nan 8.370 nan 0.000 0.460 415 T N 0.188 114.718 114.554 -0.039 0.000 2.708 415 T HA -0.087 4.263 4.350 -0.000 0.000 0.266 415 T C 2.222 176.909 174.700 -0.022 0.000 1.037 415 T CA 0.744 62.827 62.100 -0.029 0.000 1.146 415 T CB -0.299 68.527 68.868 -0.069 0.000 0.865 415 T HN -0.032 nan 8.240 nan 0.000 0.435 416 V N 1.626 121.486 119.914 -0.090 0.000 2.343 416 V HA -0.125 3.995 4.120 -0.000 0.000 0.247 416 V C 2.475 178.509 176.094 -0.100 0.000 1.051 416 V CA 1.502 63.700 62.300 -0.169 0.000 1.036 416 V CB -0.653 31.050 31.823 -0.200 0.000 0.654 416 V HN 0.449 nan 8.190 nan 0.000 0.451 417 L N -1.463 119.740 121.223 -0.034 0.000 2.093 417 L HA -0.190 4.150 4.340 -0.000 0.000 0.208 417 L C 2.456 179.335 176.870 0.016 0.000 1.085 417 L CA 1.905 56.740 54.840 -0.009 0.000 0.755 417 L CB -0.650 41.416 42.059 0.011 0.000 0.904 417 L HN 0.419 nan 8.230 nan 0.000 0.435 418 Y N 1.588 121.843 120.300 -0.075 0.000 2.200 418 Y HA -0.325 4.225 4.550 -0.000 0.000 0.290 418 Y C 2.701 178.562 175.900 -0.065 0.000 1.137 418 Y CA 2.038 60.099 58.100 -0.065 0.000 1.163 418 Y CB -0.062 38.356 38.460 -0.070 0.000 0.988 418 Y HN 0.248 nan 8.280 nan 0.000 0.518 419 M N 0.448 120.032 119.600 -0.027 0.000 2.254 419 M HA -0.018 4.462 4.480 -0.000 0.000 0.265 419 M C 1.940 178.164 176.300 -0.127 0.000 1.066 419 M CA 1.829 57.057 55.300 -0.120 0.000 1.123 419 M CB -0.660 31.883 32.600 -0.096 0.000 1.388 419 M HN 0.074 nan 8.290 nan 0.000 0.425 420 K N 0.619 120.960 120.400 -0.100 0.000 2.009 420 K HA -0.204 4.116 4.320 -0.000 0.000 0.210 420 K C 1.906 178.465 176.600 -0.069 0.000 1.049 420 K CA 2.238 58.489 56.287 -0.061 0.000 0.929 420 K CB -0.243 32.228 32.500 -0.049 0.000 0.714 420 K HN 0.622 nan 8.250 nan 0.000 0.440 421 E N 0.389 120.524 120.200 -0.108 0.000 2.070 421 E HA -0.214 4.136 4.350 -0.000 0.000 0.197 421 E C 2.095 178.617 176.600 -0.130 0.000 1.004 421 E CA 1.610 57.941 56.400 -0.113 0.000 0.805 421 E CB 0.040 29.655 29.700 -0.141 0.000 0.744 421 E HN 0.297 nan 8.360 nan 0.000 0.451 422 K N 0.140 120.417 120.400 -0.206 0.000 2.103 422 K HA -0.053 4.267 4.320 -0.000 0.000 0.204 422 K C 2.178 178.737 176.600 -0.069 0.000 1.052 422 K CA 0.877 57.065 56.287 -0.166 0.000 0.945 422 K CB -0.050 32.304 32.500 -0.243 0.000 0.722 422 K HN 0.050 nan 8.250 nan 0.000 0.443 423 A N 1.364 124.157 122.820 -0.046 0.000 1.855 423 A HA -0.168 4.152 4.320 -0.000 0.000 0.215 423 A C 2.319 179.933 177.584 0.050 0.000 1.191 423 A CA 2.305 54.361 52.037 0.031 0.000 0.613 423 A CB -1.170 17.868 19.000 0.064 0.000 0.829 423 A HN 0.471 nan 8.150 nan 0.000 0.442 424 T N -1.871 112.700 114.554 0.029 0.000 2.867 424 T HA -0.140 4.210 4.350 -0.000 0.000 0.268 424 T C 1.852 176.561 174.700 0.015 0.000 1.057 424 T CA 1.650 63.770 62.100 0.032 0.000 1.136 424 T CB -0.248 68.632 68.868 0.021 0.000 0.874 424 T HN 0.516 nan 8.240 nan 0.000 0.466 425 K N 1.446 121.842 120.400 -0.006 0.000 2.025 425 K HA 0.092 4.412 4.320 -0.000 0.000 0.207 425 K C 2.633 179.232 176.600 -0.002 0.000 1.049 425 K CA 1.129 57.409 56.287 -0.012 0.000 0.933 425 K CB -0.609 31.872 32.500 -0.032 0.000 0.714 425 K HN 0.395 nan 8.250 nan 0.000 0.438 426 A N 0.734 123.557 122.820 0.005 0.000 2.019 426 A HA -0.093 4.227 4.320 -0.000 0.000 0.219 426 A C 0.876 178.470 177.584 0.017 0.000 1.164 426 A CA 1.170 53.215 52.037 0.013 0.000 0.644 426 A CB -0.010 19.009 19.000 0.032 0.000 0.805 426 A HN 0.271 nan 8.150 nan 0.000 0.449 427 K N -0.242 120.177 120.400 0.032 0.000 2.793 427 K HA 0.302 4.622 4.320 -0.000 0.000 0.269 427 K C -3.261 173.366 176.600 0.044 0.000 1.124 427 K CA -1.794 54.512 56.287 0.032 0.000 1.074 427 K CB 1.489 34.016 32.500 0.045 0.000 1.322 427 K HN -0.060 nan 8.250 nan 0.000 0.532 428 P HA 0.030 nan 4.420 nan 0.000 0.266 428 P C 0.571 177.910 177.300 0.066 0.000 1.195 428 P CA 1.108 64.231 63.100 0.039 0.000 0.768 428 P CB 0.789 32.503 31.700 0.023 0.000 0.838 429 G N 2.166 111.014 108.800 0.080 0.000 2.179 429 G HA2 -0.261 3.699 3.960 -0.000 0.000 0.260 429 G HA3 -0.261 3.699 3.960 -0.000 0.000 0.260 429 G C 0.319 175.320 174.900 0.168 0.000 0.977 429 G CA 0.199 45.378 45.100 0.132 0.000 0.641 429 G HN 0.698 nan 8.290 nan 0.000 0.533 430 I N -0.643 120.004 120.570 0.128 0.000 2.836 430 I HA 0.575 4.745 4.170 -0.000 0.000 0.285 430 I C 0.729 176.920 176.117 0.123 0.000 1.174 430 I CA -0.692 60.686 61.300 0.130 0.000 1.405 430 I CB 0.499 38.584 38.000 0.142 0.000 1.385 430 I HN -0.003 nan 8.210 nan 0.000 0.594 431 L N 5.908 127.194 121.223 0.105 0.000 2.292 431 L HA 0.495 4.835 4.340 -0.000 0.000 0.284 431 L C -0.479 176.520 176.870 0.216 0.000 1.065 431 L CA -0.479 54.441 54.840 0.134 0.000 0.806 431 L CB 1.142 43.248 42.059 0.080 0.000 1.175 431 L HN 0.571 nan 8.230 nan 0.000 0.431 432 L N 5.463 126.835 121.223 0.247 0.000 2.415 432 L HA 0.545 4.885 4.340 -0.000 0.000 0.268 432 L C -0.793 176.197 176.870 0.201 0.000 0.984 432 L CA -0.375 54.606 54.840 0.236 0.000 0.853 432 L CB 1.077 43.270 42.059 0.222 0.000 1.215 432 L HN 0.493 nan 8.230 nan 0.000 0.419 433 F N 0.700 120.664 119.950 0.023 0.000 2.745 433 F HA 1.024 5.551 4.527 -0.000 0.000 0.316 433 F C -0.035 175.717 175.800 -0.080 0.000 1.155 433 F CA -0.943 56.928 58.000 -0.215 0.000 0.937 433 F CB 1.673 40.449 39.000 -0.373 0.000 1.361 433 F HN 0.400 nan 8.300 nan 0.000 0.472 434 G N -0.280 108.444 108.800 -0.126 0.000 2.430 434 G HA2 0.455 4.415 3.960 -0.000 0.000 0.300 434 G HA3 0.455 4.415 3.960 -0.000 0.000 0.300 434 G C -2.317 172.596 174.900 0.021 0.000 1.330 434 G CA -0.823 44.281 45.100 0.005 0.000 0.813 434 G HN 0.987 nan 8.290 nan 0.000 0.487 435 E N -0.048 120.125 120.200 -0.045 0.000 2.001 435 E HA 0.461 4.811 4.350 -0.000 0.000 0.279 435 E C 0.553 176.762 176.600 -0.653 0.000 1.045 435 E CA -0.548 55.478 56.400 -0.624 0.000 0.833 435 E CB 1.145 30.243 29.700 -1.004 0.000 1.077 435 E HN 0.686 nan 8.360 nan 0.000 0.397 436 G N 4.601 113.218 108.800 -0.305 0.000 3.581 436 G HA2 0.054 4.014 3.960 -0.000 0.000 0.255 436 G HA3 0.054 4.014 3.960 -0.000 0.000 0.255 436 G C -0.483 174.492 174.900 0.125 0.000 1.121 436 G CA -0.767 44.366 45.100 0.055 0.000 1.739 436 G HN 0.544 nan 8.290 nan 0.000 0.646 437 W N 0.018 121.424 121.300 0.177 0.000 2.158 437 W HA 0.216 4.876 4.660 -0.000 0.000 0.339 437 W C 0.270 176.845 176.519 0.093 0.000 1.294 437 W CA -1.229 56.190 57.345 0.123 0.000 1.231 437 W CB 0.928 30.450 29.460 0.103 0.000 1.143 437 W HN 0.142 nan 8.180 nan 0.000 0.571 438 D N 3.433 124.038 120.400 0.341 0.000 2.352 438 D HA 0.257 4.897 4.640 -0.000 0.000 0.245 438 D C -0.836 175.573 176.300 0.182 0.000 1.224 438 D CA 0.131 54.262 54.000 0.218 0.000 0.879 438 D CB 0.172 41.098 40.800 0.210 0.000 1.057 438 D HN 0.196 nan 8.370 nan 0.000 0.491 439 L N 2.145 123.464 121.223 0.160 0.000 2.330 439 L HA 0.615 4.955 4.340 -0.000 0.000 0.271 439 L C 0.627 177.552 176.870 0.092 0.000 1.013 439 L CA -1.546 53.367 54.840 0.122 0.000 0.816 439 L CB 1.837 43.978 42.059 0.136 0.000 1.287 439 L HN 0.360 nan 8.230 nan 0.000 0.435 440 A N 1.173 124.032 122.820 0.064 0.000 3.048 440 A HA 0.306 4.626 4.320 -0.000 0.000 0.264 440 A C 0.252 177.864 177.584 0.047 0.000 1.796 440 A CA 0.073 52.140 52.037 0.049 0.000 1.445 440 A CB -0.728 18.289 19.000 0.027 0.000 1.074 440 A HN 0.620 nan 8.150 nan 0.000 0.621 441 T N 1.395 115.983 114.554 0.057 0.000 2.895 441 T HA 0.535 4.885 4.350 -0.000 0.000 0.283 441 T C -2.666 172.061 174.700 0.045 0.000 1.014 441 T CA -1.998 60.133 62.100 0.051 0.000 1.037 441 T CB 1.156 70.061 68.868 0.061 0.000 1.006 441 T HN 0.264 nan 8.240 nan 0.000 0.468 442 P HA 0.245 nan 4.420 nan 0.000 0.244 442 P C -1.051 176.266 177.300 0.029 0.000 1.723 442 P CA 0.168 63.288 63.100 0.034 0.000 1.110 442 P CB -0.481 31.241 31.700 0.036 0.000 1.972 443 L N 2.905 124.148 121.223 0.033 0.000 2.445 443 L HA 0.453 4.793 4.340 -0.000 0.000 0.262 443 L C -2.502 174.391 176.870 0.037 0.000 0.974 443 L CA -2.597 52.258 54.840 0.025 0.000 0.822 443 L CB 3.095 45.163 42.059 0.017 0.000 1.339 443 L HN -0.088 nan 8.230 nan 0.000 0.409 444 P HA 0.034 nan 4.420 nan 0.000 0.268 444 P C 0.280 177.624 177.300 0.073 0.000 1.205 444 P CA -0.002 63.132 63.100 0.056 0.000 0.771 444 P CB 0.553 32.277 31.700 0.040 0.000 0.858 445 H N 3.027 122.105 119.070 0.013 0.000 2.330 445 H HA -0.255 4.301 4.556 -0.000 0.000 0.290 445 H C 1.006 176.343 175.328 0.015 0.000 1.111 445 H CA 2.515 58.573 56.048 0.016 0.000 1.226 445 H CB 0.003 29.773 29.762 0.014 0.000 1.355 445 H HN 0.498 nan 8.280 nan 0.000 0.485 446 E N -0.191 119.990 120.200 -0.032 0.000 2.511 446 E HA -0.049 4.301 4.350 -0.000 0.000 0.196 446 E C 1.675 178.232 176.600 -0.073 0.000 1.066 446 E CA 0.681 57.031 56.400 -0.083 0.000 0.871 446 E CB 0.053 29.757 29.700 0.007 0.000 0.863 446 E HN 0.664 nan 8.360 nan 0.000 0.520 447 Q N 0.257 120.024 119.800 -0.056 0.000 2.352 447 Q HA 0.138 4.478 4.340 -0.000 0.000 0.212 447 Q C -0.071 175.904 176.000 -0.042 0.000 0.888 447 Q CA 0.038 55.818 55.803 -0.038 0.000 0.934 447 Q CB 0.474 29.200 28.738 -0.019 0.000 1.093 447 Q HN 0.119 nan 8.270 nan 0.000 0.523 448 K N 0.535 120.898 120.400 -0.062 0.000 2.202 448 K HA 0.347 4.667 4.320 -0.000 0.000 0.264 448 K C -0.186 176.397 176.600 -0.029 0.000 1.010 448 K CA -0.171 56.094 56.287 -0.037 0.000 0.940 448 K CB 0.839 33.319 32.500 -0.034 0.000 0.983 448 K HN -0.052 nan 8.250 nan 0.000 0.475 449 A N 1.906 124.732 122.820 0.010 0.000 3.117 449 A HA 0.331 4.651 4.320 -0.000 0.000 0.255 449 A C 0.106 177.778 177.584 0.146 0.000 1.583 449 A CA -0.277 51.796 52.037 0.061 0.000 1.234 449 A CB -0.663 18.348 19.000 0.019 0.000 1.076 449 A HN 0.669 nan 8.150 nan 0.000 0.653 450 A N -0.295 122.558 122.820 0.055 0.000 2.269 450 A HA 0.618 4.938 4.320 -0.000 0.000 0.319 450 A C 1.203 178.690 177.584 -0.161 0.000 1.110 450 A CA -0.568 51.494 52.037 0.041 0.000 0.847 450 A CB 0.395 19.398 19.000 0.006 0.000 1.161 450 A HN 0.587 nan 8.150 nan 0.000 0.497 451 L N 0.623 121.706 121.223 -0.233 0.000 2.043 451 L HA -0.229 4.111 4.340 -0.000 0.000 0.212 451 L C 2.697 179.335 176.870 -0.386 0.000 1.075 451 L CA 1.911 56.391 54.840 -0.600 0.000 0.752 451 L CB -0.368 41.588 42.059 -0.171 0.000 0.891 451 L HN 0.875 nan 8.230 nan 0.000 0.432 452 A N -0.498 122.230 122.820 -0.154 0.000 2.139 452 A HA -0.190 4.130 4.320 -0.000 0.000 0.221 452 A C 1.380 178.890 177.584 -0.123 0.000 1.159 452 A CA 1.695 53.685 52.037 -0.078 0.000 0.662 452 A CB -0.416 18.601 19.000 0.028 0.000 0.796 452 A HN 0.599 nan 8.150 nan 0.000 0.463 453 N N -1.047 117.538 118.700 -0.192 0.000 2.235 453 N HA 0.300 5.040 4.740 -0.000 0.000 0.231 453 N C 1.278 176.700 175.510 -0.147 0.000 1.177 453 N CA 0.667 53.632 53.050 -0.141 0.000 0.874 453 N CB 0.366 38.779 38.487 -0.122 0.000 1.097 453 N HN 0.360 nan 8.380 nan 0.000 0.518 454 A N 2.115 124.759 122.820 -0.293 0.000 1.958 454 A HA -0.129 4.191 4.320 -0.000 0.000 0.221 454 A C -0.352 177.213 177.584 -0.033 0.000 1.178 454 A CA 1.588 53.459 52.037 -0.277 0.000 0.642 454 A CB -1.284 17.473 19.000 -0.405 0.000 0.816 454 A HN 0.161 nan 8.150 nan 0.000 0.453 455 P HA -0.132 nan 4.420 nan 0.000 0.219 455 P C 1.233 178.547 177.300 0.023 0.000 1.146 455 P CA 1.111 64.216 63.100 0.009 0.000 0.808 455 P CB -0.071 31.630 31.700 0.002 0.000 0.779 456 R N -1.508 119.001 120.500 0.016 0.000 2.310 456 R HA 0.229 4.569 4.340 -0.000 0.000 0.202 456 R C 0.678 177.005 176.300 0.045 0.000 0.933 456 R CA 0.423 56.537 56.100 0.023 0.000 1.054 456 R CB -0.176 30.129 30.300 0.007 0.000 0.985 456 R HN 0.267 nan 8.270 nan 0.000 0.489 457 M N 1.513 121.163 119.600 0.083 0.000 2.944 457 M HA 0.250 4.730 4.480 -0.000 0.000 0.235 457 M C -2.432 173.938 176.300 0.115 0.000 1.188 457 M CA -1.784 53.581 55.300 0.109 0.000 0.688 457 M CB 1.769 34.484 32.600 0.193 0.000 1.406 457 M HN -0.247 nan 8.290 nan 0.000 0.479 458 P HA 0.112 nan 4.420 nan 0.000 0.269 458 P C 0.912 178.241 177.300 0.049 0.000 1.215 458 P CA 1.035 64.176 63.100 0.069 0.000 0.780 458 P CB 0.963 32.692 31.700 0.049 0.000 0.898 459 G N 1.256 110.080 108.800 0.041 0.000 2.176 459 G HA2 -0.176 3.784 3.960 -0.000 0.000 0.253 459 G HA3 -0.176 3.784 3.960 -0.000 0.000 0.253 459 G C -0.003 174.901 174.900 0.006 0.000 0.979 459 G CA -0.243 44.867 45.100 0.017 0.000 0.641 459 G HN 0.500 nan 8.290 nan 0.000 0.530 460 I N 1.518 122.090 120.570 0.004 0.000 2.406 460 I HA 0.614 4.784 4.170 -0.000 0.000 0.290 460 I C 0.956 176.950 176.117 -0.206 0.000 0.999 460 I CA -0.525 60.706 61.300 -0.115 0.000 1.124 460 I CB 0.964 38.855 38.000 -0.181 0.000 1.289 460 I HN 0.147 nan 8.210 nan 0.000 0.441 461 G N 5.113 113.751 108.800 -0.270 0.000 2.462 461 G HA2 0.712 4.672 3.960 -0.000 0.000 0.319 461 G HA3 0.712 4.672 3.960 -0.000 0.000 0.319 461 G C -1.404 173.104 174.900 -0.654 0.000 1.171 461 G CA -0.218 44.733 45.100 -0.248 0.000 0.920 461 G HN 0.314 nan 8.290 nan 0.000 0.499 462 F N -1.048 118.850 119.950 -0.086 0.000 2.581 462 F HA 0.417 4.944 4.527 -0.000 0.000 0.311 462 F C -0.494 175.199 175.800 -0.178 0.000 1.113 462 F CA -0.863 57.071 58.000 -0.109 0.000 0.935 462 F CB 1.949 40.931 39.000 -0.030 0.000 1.232 462 F HN 0.291 nan 8.300 nan 0.000 0.445 463 F N 2.295 122.253 119.950 0.013 0.000 2.578 463 F HA 0.060 4.587 4.527 -0.000 0.000 0.381 463 F C 1.060 177.050 175.800 0.318 0.000 1.069 463 F CA 0.026 58.005 58.000 -0.034 0.000 1.231 463 F CB 0.229 39.069 39.000 -0.266 0.000 1.086 463 F HN 0.362 nan 8.300 nan 0.000 0.564 464 N N 4.333 123.368 118.700 0.558 0.000 2.555 464 N HA -0.036 4.704 4.740 -0.000 0.000 0.244 464 N C 0.771 176.597 175.510 0.527 0.000 1.114 464 N CA -0.192 53.150 53.050 0.486 0.000 0.963 464 N CB 0.190 38.908 38.487 0.384 0.000 1.276 464 N HN 0.577 nan 8.380 nan 0.000 0.510 465 D N 3.664 124.386 120.400 0.535 0.000 2.178 465 D HA -0.206 4.434 4.640 -0.000 0.000 0.202 465 D C 1.697 178.099 176.300 0.171 0.000 0.974 465 D CA 0.539 54.733 54.000 0.324 0.000 0.841 465 D CB -0.086 40.852 40.800 0.231 0.000 0.953 465 D HN 0.360 nan 8.370 nan 0.000 0.478 466 M N 0.321 120.038 119.600 0.195 0.000 2.065 466 M HA -0.153 4.326 4.480 -0.000 0.000 0.259 466 M C 2.118 178.530 176.300 0.187 0.000 1.071 466 M CA 1.345 56.732 55.300 0.145 0.000 1.109 466 M CB -1.086 31.576 32.600 0.103 0.000 1.313 466 M HN 0.123 nan 8.290 nan 0.000 0.408 467 F N 0.581 120.532 119.950 0.002 0.000 2.095 467 F HA -0.325 4.202 4.527 -0.000 0.000 0.298 467 F C 2.702 178.478 175.800 -0.041 0.000 1.104 467 F CA 1.469 59.454 58.000 -0.025 0.000 1.232 467 F CB -0.312 38.680 39.000 -0.013 0.000 0.987 467 F HN 0.274 nan 8.300 nan 0.000 0.475 468 R N 0.744 121.237 120.500 -0.012 0.000 2.103 468 R HA -0.242 4.098 4.340 -0.000 0.000 0.234 468 R C 1.689 177.900 176.300 -0.148 0.000 1.132 468 R CA 2.518 58.453 56.100 -0.275 0.000 0.925 468 R CB -0.660 29.336 30.300 -0.507 0.000 0.842 468 R HN 0.231 nan 8.270 nan 0.000 0.430 469 D N -0.041 120.316 120.400 -0.073 0.000 2.219 469 D HA -0.072 4.568 4.640 -0.000 0.000 0.205 469 D C 1.673 177.987 176.300 0.023 0.000 0.970 469 D CA 1.245 55.219 54.000 -0.044 0.000 0.851 469 D CB -0.188 40.602 40.800 -0.018 0.000 0.943 469 D HN 0.436 nan 8.370 nan 0.000 0.488 470 A N 0.385 123.256 122.820 0.086 0.000 1.902 470 A HA -0.126 4.194 4.320 -0.000 0.000 0.217 470 A C 2.462 180.141 177.584 0.160 0.000 1.181 470 A CA 1.186 53.305 52.037 0.136 0.000 0.623 470 A CB -0.605 18.510 19.000 0.191 0.000 0.818 470 A HN 0.150 nan 8.150 nan 0.000 0.443 471 V N -0.089 119.903 119.914 0.129 0.000 2.302 471 V HA -0.167 3.953 4.120 -0.000 0.000 0.243 471 V C 2.529 178.714 176.094 0.152 0.000 1.036 471 V CA 2.279 64.669 62.300 0.149 0.000 1.020 471 V CB -0.513 31.310 31.823 -0.001 0.000 0.657 471 V HN 0.687 nan 8.190 nan 0.000 0.453 472 K N -0.288 120.144 120.400 0.053 0.000 2.128 472 K HA 0.295 4.615 4.320 -0.000 0.000 0.202 472 K C 0.764 177.270 176.600 -0.156 0.000 1.050 472 K CA 1.142 57.367 56.287 -0.103 0.000 0.966 472 K CB 0.466 32.809 32.500 -0.262 0.000 0.759 472 K HN 0.563 nan 8.250 nan 0.000 0.454 473 G N 0.998 109.742 108.800 -0.094 0.000 2.465 473 G HA2 -0.161 3.799 3.960 -0.000 0.000 0.681 473 G HA3 -0.161 3.799 3.960 -0.000 0.000 0.681 473 G C -1.410 173.439 174.900 -0.085 0.000 1.340 473 G CA -0.654 44.404 45.100 -0.071 0.000 0.884 473 G HN 0.299 nan 8.290 nan 0.000 0.650 474 N N 0.127 118.811 118.700 -0.026 0.000 2.217 474 N HA 0.002 4.742 4.740 -0.000 0.000 0.268 474 N C 1.963 177.410 175.510 -0.105 0.000 1.290 474 N CA 1.278 54.327 53.050 -0.001 0.000 0.831 474 N CB 0.810 39.378 38.487 0.135 0.000 1.057 474 N HN 1.031 nan 8.380 nan 0.000 0.481 475 T N 1.326 115.717 114.554 -0.272 0.000 3.023 475 T HA -0.003 4.347 4.350 -0.000 0.000 0.266 475 T C 1.447 175.788 174.700 -0.598 0.000 1.093 475 T CA 0.771 62.571 62.100 -0.501 0.000 1.129 475 T CB -0.334 68.079 68.868 -0.760 0.000 0.899 475 T HN 0.467 nan 8.240 nan 0.000 0.491 476 F N 0.744 120.613 119.950 -0.136 0.000 2.765 476 F HA 0.323 4.850 4.527 -0.000 0.000 0.302 476 F C 0.963 176.543 175.800 -0.367 0.000 1.111 476 F CA -0.390 57.468 58.000 -0.236 0.000 1.359 476 F CB 0.056 38.880 39.000 -0.293 0.000 1.097 476 F HN 0.231 nan 8.300 nan 0.000 0.577 477 H N 0.987 120.072 119.070 0.025 0.000 2.791 477 H HA 0.169 4.725 4.556 -0.000 0.000 0.272 477 H C 1.047 176.334 175.328 -0.068 0.000 1.188 477 H CA -0.635 55.406 56.048 -0.011 0.000 1.436 477 H CB 1.345 31.104 29.762 -0.004 0.000 1.467 477 H HN 0.096 nan 8.280 nan 0.000 0.500 478 L N 3.111 124.325 121.223 -0.014 0.000 2.082 478 L HA -0.282 4.058 4.340 -0.000 0.000 0.223 478 L C 1.689 178.518 176.870 -0.067 0.000 1.086 478 L CA 2.112 56.886 54.840 -0.111 0.000 0.793 478 L CB -0.061 41.850 42.059 -0.247 0.000 0.896 478 L HN 0.376 nan 8.230 nan 0.000 0.441 479 K N -0.785 119.598 120.400 -0.028 0.000 2.444 479 K HA 0.261 4.581 4.320 -0.000 0.000 0.193 479 K C 0.633 177.211 176.600 -0.035 0.000 1.024 479 K CA 0.288 56.557 56.287 -0.029 0.000 1.077 479 K CB -0.019 32.466 32.500 -0.024 0.000 0.833 479 K HN 0.390 nan 8.250 nan 0.000 0.517 480 A N 2.124 124.935 122.820 -0.016 0.000 2.488 480 A HA 0.142 4.462 4.320 -0.000 0.000 0.249 480 A C 0.425 177.977 177.584 -0.053 0.000 1.083 480 A CA -0.106 51.917 52.037 -0.024 0.000 0.768 480 A CB -0.002 19.012 19.000 0.023 0.000 1.017 480 A HN 0.263 nan 8.150 nan 0.000 0.496 481 T N 0.446 114.972 114.554 -0.047 0.000 2.918 481 T HA 0.767 5.117 4.350 -0.000 0.000 0.286 481 T C 0.310 174.999 174.700 -0.018 0.000 1.026 481 T CA -0.075 61.991 62.100 -0.056 0.000 1.031 481 T CB 1.852 70.688 68.868 -0.054 0.000 1.046 481 T HN 1.108 nan 8.240 nan 0.000 0.479 482 G N -0.081 108.714 108.800 -0.009 0.000 2.932 482 G HA2 0.503 4.463 3.960 -0.000 0.000 0.283 482 G HA3 0.503 4.463 3.960 -0.000 0.000 0.283 482 G C 0.094 175.067 174.900 0.121 0.000 1.336 482 G CA -1.089 44.051 45.100 0.067 0.000 1.056 482 G HN 0.651 nan 8.290 nan 0.000 0.522 483 F N 1.205 121.191 119.950 0.060 0.000 2.063 483 F HA -0.222 4.304 4.527 -0.000 0.000 0.298 483 F C 2.725 178.582 175.800 0.094 0.000 1.109 483 F CA 2.841 60.893 58.000 0.086 0.000 1.212 483 F CB -0.299 38.754 39.000 0.089 0.000 0.973 483 F HN 0.357 nan 8.300 nan 0.000 0.480 484 A N 0.053 122.940 122.820 0.112 0.000 2.024 484 A HA -0.123 4.197 4.320 -0.000 0.000 0.220 484 A C 2.075 179.636 177.584 -0.038 0.000 1.164 484 A CA 1.686 53.741 52.037 0.029 0.000 0.643 484 A CB -1.065 18.072 19.000 0.228 0.000 0.806 484 A HN 0.512 nan 8.150 nan 0.000 0.451 485 L N -1.607 119.601 121.223 -0.024 0.000 2.611 485 L HA 0.263 4.603 4.340 -0.000 0.000 0.229 485 L C 1.496 178.299 176.870 -0.112 0.000 1.137 485 L CA 0.502 55.304 54.840 -0.063 0.000 0.901 485 L CB -0.103 41.913 42.059 -0.072 0.000 1.098 485 L HN 0.577 nan 8.230 nan 0.000 0.456 486 G N 0.057 108.764 108.800 -0.155 0.000 2.179 486 G HA2 -0.252 3.708 3.960 -0.000 0.000 0.220 486 G HA3 -0.252 3.708 3.960 -0.000 0.000 0.220 486 G C 0.129 175.056 174.900 0.044 0.000 0.990 486 G CA -0.387 44.636 45.100 -0.129 0.000 0.646 486 G HN 0.333 nan 8.290 nan 0.000 0.517 487 N N 1.238 119.962 118.700 0.041 0.000 2.408 487 N HA 0.425 5.165 4.740 -0.000 0.000 0.257 487 N C 1.516 177.114 175.510 0.147 0.000 1.064 487 N CA 0.719 53.825 53.050 0.094 0.000 0.952 487 N CB 0.926 39.454 38.487 0.069 0.000 1.093 487 N HN 0.258 nan 8.380 nan 0.000 0.490 488 G N 2.704 111.569 108.800 0.107 0.000 2.572 488 G HA2 -0.124 3.836 3.960 -0.000 0.000 0.216 488 G HA3 -0.124 3.836 3.960 -0.000 0.000 0.216 488 G C 1.056 176.015 174.900 0.098 0.000 1.133 488 G CA 0.164 45.295 45.100 0.052 0.000 0.791 488 G HN 0.594 nan 8.290 nan 0.000 0.538 489 E N 1.177 121.430 120.200 0.087 0.000 2.333 489 E HA -0.095 4.255 4.350 -0.000 0.000 0.198 489 E C 2.226 178.883 176.600 0.095 0.000 1.007 489 E CA 1.209 57.654 56.400 0.075 0.000 0.845 489 E CB -0.018 29.716 29.700 0.057 0.000 0.766 489 E HN 0.583 nan 8.360 nan 0.000 0.507 490 S N -0.672 115.112 115.700 0.139 0.000 2.554 490 S HA 0.392 4.862 4.470 -0.000 0.000 0.226 490 S C 1.814 176.482 174.600 0.114 0.000 0.980 490 S CA 0.239 58.521 58.200 0.136 0.000 0.939 490 S CB 0.747 64.040 63.200 0.156 0.000 0.832 490 S HN 0.208 nan 8.310 nan 0.000 0.486 491 A N 2.514 125.412 122.820 0.130 0.000 1.892 491 A HA -0.249 4.071 4.320 -0.000 0.000 0.218 491 A C 2.265 179.778 177.584 -0.119 0.000 1.188 491 A CA 1.966 53.977 52.037 -0.044 0.000 0.631 491 A CB -0.927 18.113 19.000 0.067 0.000 0.822 491 A HN 0.589 nan 8.150 nan 0.000 0.447 492 Q N -0.737 119.053 119.800 -0.015 0.000 2.050 492 Q HA -0.131 4.209 4.340 -0.000 0.000 0.202 492 Q C 2.225 178.194 176.000 -0.052 0.000 0.980 492 Q CA 1.795 57.593 55.803 -0.007 0.000 0.840 492 Q CB -0.401 28.390 28.738 0.089 0.000 0.898 492 Q HN 0.602 nan 8.270 nan 0.000 0.424 493 A N 0.005 122.831 122.820 0.011 0.000 1.948 493 A HA -0.179 4.141 4.320 -0.000 0.000 0.220 493 A C 2.219 179.763 177.584 -0.068 0.000 1.177 493 A CA 1.731 53.786 52.037 0.031 0.000 0.636 493 A CB -0.846 18.198 19.000 0.074 0.000 0.815 493 A HN 0.338 nan 8.150 nan 0.000 0.449 494 V N -0.784 119.077 119.914 -0.088 0.000 2.343 494 V HA -0.282 3.838 4.120 -0.000 0.000 0.247 494 V C 2.546 178.443 176.094 -0.328 0.000 1.051 494 V CA 2.324 64.562 62.300 -0.103 0.000 1.036 494 V CB -0.629 31.079 31.823 -0.192 0.000 0.654 494 V HN 0.675 nan 8.190 nan 0.000 0.451 495 M N -0.247 119.104 119.600 -0.416 0.000 2.149 495 M HA -0.188 4.292 4.480 -0.000 0.000 0.261 495 M C 2.091 177.880 176.300 -0.852 0.000 1.064 495 M CA 1.891 56.805 55.300 -0.643 0.000 1.102 495 M CB -0.912 31.277 32.600 -0.684 0.000 1.369 495 M HN 0.500 nan 8.290 nan 0.000 0.408 496 H N -0.413 118.162 119.070 -0.824 0.000 2.290 496 H HA -0.024 4.532 4.556 -0.000 0.000 0.298 496 H C 1.942 176.905 175.328 -0.608 0.000 1.087 496 H CA 2.144 57.824 56.048 -0.613 0.000 1.291 496 H CB -1.002 28.604 29.762 -0.260 0.000 1.369 496 H HN 0.443 nan 8.280 nan 0.000 0.492 497 G N 0.592 108.883 108.800 -0.848 0.000 2.440 497 G HA2 -0.207 3.753 3.960 -0.000 0.000 0.218 497 G HA3 -0.207 3.753 3.960 -0.000 0.000 0.218 497 G C 2.041 176.248 174.900 -1.155 0.000 1.154 497 G CA 0.959 45.078 45.100 -1.634 0.000 0.767 497 G HN 0.491 nan 8.290 nan 0.000 0.552 498 I N 1.263 121.366 120.570 -0.779 0.000 2.454 498 I HA -0.133 4.037 4.170 -0.000 0.000 0.254 498 I C 2.907 178.798 176.117 -0.377 0.000 1.156 498 I CA 0.841 61.877 61.300 -0.439 0.000 1.433 498 I CB -0.010 37.644 38.000 -0.577 0.000 1.082 498 I HN 0.250 nan 8.210 nan 0.000 0.432 499 A N 0.104 122.689 122.820 -0.391 0.000 2.251 499 A HA 0.353 4.673 4.320 -0.000 0.000 0.209 499 A C 1.749 179.309 177.584 -0.040 0.000 1.187 499 A CA 0.741 52.679 52.037 -0.166 0.000 0.823 499 A CB -0.402 18.536 19.000 -0.103 0.000 0.846 499 A HN 0.547 nan 8.150 nan 0.000 0.486 500 G N -1.840 106.887 108.800 -0.121 0.000 2.159 500 G HA2 -0.163 3.797 3.960 -0.000 0.000 0.227 500 G HA3 -0.163 3.797 3.960 -0.000 0.000 0.227 500 G C 0.614 175.467 174.900 -0.078 0.000 0.986 500 G CA 0.268 45.339 45.100 -0.048 0.000 0.651 500 G HN 1.209 nan 8.290 nan 0.000 0.523 501 S N -1.512 114.061 115.700 -0.212 0.000 3.402 501 S HA -0.248 4.222 4.470 -0.000 0.000 0.329 501 S C 1.162 175.749 174.600 -0.020 0.000 1.194 501 S CA 1.348 59.294 58.200 -0.424 0.000 0.951 501 S CB -1.481 61.486 63.200 -0.389 0.000 0.975 501 S HN 1.493 nan 8.310 nan 0.000 0.574 502 S N 1.110 116.911 115.700 0.169 0.000 2.526 502 S HA 0.525 4.995 4.470 -0.000 0.000 0.247 502 S C 0.672 175.419 174.600 0.245 0.000 1.076 502 S CA 0.150 58.457 58.200 0.178 0.000 1.105 502 S CB 0.624 63.899 63.200 0.125 0.000 0.793 502 S HN 1.491 nan 8.310 nan 0.000 0.458 503 G N 1.574 110.642 108.800 0.447 0.000 3.067 503 G HA2 -0.077 3.883 3.960 -0.000 0.000 0.686 503 G HA3 -0.077 3.883 3.960 -0.000 0.000 0.686 503 G C -1.116 173.836 174.900 0.088 0.000 1.119 503 G CA -0.925 44.288 45.100 0.189 0.000 0.790 503 G HN 0.408 nan 8.290 nan 0.000 0.605 504 W N 5.429 126.432 121.300 -0.496 0.000 2.631 504 W HA 0.430 5.090 4.660 -0.000 0.000 0.321 504 W C 0.651 177.020 176.519 -0.251 0.000 1.004 504 W CA -0.457 56.650 57.345 -0.396 0.000 1.291 504 W CB 0.673 29.771 29.460 -0.603 0.000 1.300 504 W HN 1.140 nan 8.180 nan 0.000 0.422 505 K N 2.039 121.998 120.400 -0.736 0.000 2.331 505 K HA -0.335 3.985 4.320 -0.000 0.000 0.159 505 K C 1.092 177.518 176.600 -0.291 0.000 0.830 505 K CA 2.518 58.458 56.287 -0.579 0.000 0.383 505 K CB -1.495 30.577 32.500 -0.713 0.000 0.742 505 K HN 0.466 nan 8.250 nan 0.000 0.782 506 A N 1.303 123.992 122.820 -0.219 0.000 2.238 506 A HA 0.262 4.582 4.320 -0.000 0.000 0.210 506 A C 0.837 178.378 177.584 -0.072 0.000 1.179 506 A CA 0.008 51.977 52.037 -0.113 0.000 0.827 506 A CB -0.027 18.926 19.000 -0.078 0.000 0.856 506 A HN 0.250 nan 8.150 nan 0.000 0.488 507 L N 1.057 122.226 121.223 -0.090 0.000 2.380 507 L HA 0.377 4.716 4.340 -0.000 0.000 0.273 507 L C 0.793 177.640 176.870 -0.038 0.000 1.138 507 L CA -0.611 54.198 54.840 -0.053 0.000 0.832 507 L CB 1.141 43.138 42.059 -0.104 0.000 1.124 507 L HN 0.306 nan 8.230 nan 0.000 0.454 508 A N 5.812 128.665 122.820 0.056 0.000 2.425 508 A HA 0.468 4.788 4.320 -0.000 0.000 0.249 508 A C -2.252 175.455 177.584 0.204 0.000 1.084 508 A CA -1.166 50.925 52.037 0.090 0.000 0.781 508 A CB -0.257 18.789 19.000 0.077 0.000 1.019 508 A HN 0.454 nan 8.150 nan 0.000 0.490 509 P HA 0.060 nan 4.420 nan 0.000 0.269 509 P C 0.563 177.947 177.300 0.140 0.000 1.209 509 P CA -0.264 62.965 63.100 0.215 0.000 0.776 509 P CB 0.394 32.171 31.700 0.128 0.000 0.876 510 I N 1.436 122.053 120.570 0.078 0.000 2.628 510 I HA 0.020 4.190 4.170 -0.000 0.000 0.255 510 I C 1.038 177.152 176.117 -0.005 0.000 1.119 510 I CA 1.210 62.519 61.300 0.015 0.000 1.448 510 I CB -0.550 37.423 38.000 -0.044 0.000 1.133 510 I HN 0.157 nan 8.210 nan 0.000 0.438 511 V N -3.235 116.688 119.914 0.016 0.000 3.078 511 V HA 0.477 4.597 4.120 -0.000 0.000 0.311 511 V C -2.408 173.719 176.094 0.054 0.000 1.138 511 V CA -1.460 60.854 62.300 0.024 0.000 1.007 511 V CB 1.596 33.459 31.823 0.067 0.000 1.045 511 V HN -0.225 nan 8.190 nan 0.000 0.432 512 P HA 0.100 nan 4.420 nan 0.000 0.217 512 P C 0.006 177.353 177.300 0.077 0.000 1.151 512 P CA 1.309 64.447 63.100 0.065 0.000 0.828 512 P CB 0.261 31.995 31.700 0.057 0.000 0.788 513 E N -1.894 118.357 120.200 0.086 0.000 2.340 513 E HA 0.172 4.522 4.350 -0.000 0.000 0.273 513 E C -2.004 174.655 176.600 0.098 0.000 0.891 513 E CA -2.258 54.199 56.400 0.094 0.000 0.757 513 E CB 1.420 31.180 29.700 0.100 0.000 1.231 513 E HN -0.056 nan 8.360 nan 0.000 0.439 514 P HA -0.227 nan 4.420 nan 0.000 0.217 514 P C 1.139 178.501 177.300 0.103 0.000 1.148 514 P CA 1.545 64.704 63.100 0.098 0.000 0.828 514 P CB 0.232 31.994 31.700 0.104 0.000 0.783 515 S N -0.789 114.989 115.700 0.129 0.000 2.500 515 S HA -0.148 4.322 4.470 -0.000 0.000 0.239 515 S C 1.777 176.391 174.600 0.024 0.000 0.989 515 S CA 0.745 58.991 58.200 0.077 0.000 0.951 515 S CB -0.990 62.225 63.200 0.025 0.000 0.759 515 S HN 0.318 nan 8.310 nan 0.000 0.523 516 Q N 0.543 120.383 119.800 0.067 0.000 2.282 516 Q HA 0.312 4.652 4.340 -0.000 0.000 0.206 516 Q C 0.028 176.097 176.000 0.115 0.000 0.878 516 Q CA -0.095 55.770 55.803 0.104 0.000 0.944 516 Q CB 0.558 29.415 28.738 0.197 0.000 1.100 516 Q HN 0.443 nan 8.270 nan 0.000 0.509 517 S N 1.352 117.089 115.700 0.063 0.000 2.448 517 S HA 0.314 4.784 4.470 -0.000 0.000 0.320 517 S C -0.330 174.270 174.600 -0.000 0.000 1.071 517 S CA -0.621 57.620 58.200 0.068 0.000 1.113 517 S CB 0.290 63.538 63.200 0.079 0.000 0.972 517 S HN 0.122 nan 8.310 nan 0.000 0.465 518 I N 5.721 126.234 120.570 -0.094 0.000 2.294 518 I HA 0.244 4.414 4.170 -0.000 0.000 0.295 518 I C 0.057 176.211 176.117 0.062 0.000 1.098 518 I CA -0.476 60.678 61.300 -0.245 0.000 1.277 518 I CB -0.227 37.296 38.000 -0.795 0.000 1.434 518 I HN 0.539 nan 8.210 nan 0.000 0.498 519 N N 8.236 127.040 118.700 0.173 0.000 2.444 519 N HA 0.399 5.139 4.740 -0.000 0.000 0.271 519 N C -0.544 175.172 175.510 0.343 0.000 1.069 519 N CA -0.090 53.143 53.050 0.305 0.000 0.965 519 N CB 1.409 40.082 38.487 0.309 0.000 1.092 519 N HN 0.519 nan 8.380 nan 0.000 0.476 520 Y N -1.994 118.318 120.300 0.021 0.000 2.689 520 Y HA 0.500 5.050 4.550 -0.000 0.000 0.333 520 Y C -0.138 175.759 175.900 -0.005 0.000 1.208 520 Y CA -1.211 56.931 58.100 0.071 0.000 1.055 520 Y CB 0.342 38.898 38.460 0.161 0.000 1.304 520 Y HN 0.059 nan 8.280 nan 0.000 0.455 521 V N -2.601 117.262 119.914 -0.084 0.000 3.411 521 V HA 0.492 4.612 4.120 -0.000 0.000 0.287 521 V C -0.242 175.869 176.094 0.029 0.000 1.543 521 V CA 0.666 62.889 62.300 -0.128 0.000 1.028 521 V CB 0.616 32.508 31.823 0.115 0.000 0.840 521 V HN 0.859 nan 8.190 nan 0.000 0.435 522 E N 0.814 121.131 120.200 0.194 0.000 2.372 522 E HA 0.681 5.031 4.350 -0.000 0.000 0.279 522 E C -0.990 175.792 176.600 0.303 0.000 0.946 522 E CA 0.315 56.842 56.400 0.212 0.000 0.769 522 E CB 2.559 32.415 29.700 0.260 0.000 1.230 522 E HN 0.537 nan 8.360 nan 0.000 0.442 523 S N 1.552 117.222 115.700 -0.050 0.000 2.752 523 S HA 0.226 4.696 4.470 -0.000 0.000 0.284 523 S C 0.932 175.041 174.600 -0.819 0.000 1.189 523 S CA -0.335 57.723 58.200 -0.236 0.000 0.835 523 S CB 0.631 63.730 63.200 -0.167 0.000 1.192 523 S HN 0.815 nan 8.310 nan 0.000 0.506 524 H N 0.062 118.768 119.070 -0.606 0.000 2.456 524 H HA 0.062 4.618 4.556 -0.000 0.000 0.296 524 H C -0.483 174.645 175.328 -0.333 0.000 1.079 524 H CA 1.017 56.777 56.048 -0.480 0.000 1.322 524 H CB -0.589 28.835 29.762 -0.564 0.000 1.388 524 H HN 0.523 nan 8.280 nan 0.000 0.538 525 D N 1.764 121.611 120.400 -0.922 0.000 2.304 525 D HA 0.115 4.755 4.640 -0.000 0.000 0.247 525 D C 0.167 176.350 176.300 -0.196 0.000 1.089 525 D CA -0.010 53.721 54.000 -0.447 0.000 0.910 525 D CB 1.004 41.505 40.800 -0.498 0.000 1.199 525 D HN 0.409 nan 8.370 nan 0.000 0.426 526 N N -0.103 118.549 118.700 -0.080 0.000 6.841 526 N HA -0.197 4.543 4.740 -0.000 0.000 0.420 526 N C -0.352 175.093 175.510 -0.107 0.000 0.944 526 N CA 0.203 53.162 53.050 -0.152 0.000 1.444 526 N CB -0.525 37.826 38.487 -0.227 0.000 0.807 526 N HN 0.520 nan 8.380 nan 0.000 0.332 527 H N 0.112 119.165 119.070 -0.028 0.000 2.871 527 H HA 0.093 4.649 4.556 -0.000 0.000 0.355 527 H C 0.554 175.907 175.328 0.041 0.000 1.092 527 H CA 1.015 57.087 56.048 0.039 0.000 1.420 527 H CB 0.170 29.957 29.762 0.043 0.000 1.400 527 H HN 0.622 nan 8.280 nan 0.000 0.604 528 T N -0.765 113.942 114.554 0.255 0.000 2.813 528 T HA -0.031 4.319 4.350 -0.000 0.000 0.297 528 T C 1.445 176.304 174.700 0.265 0.000 1.036 528 T CA -0.655 61.597 62.100 0.253 0.000 1.044 528 T CB 0.550 69.609 68.868 0.318 0.000 0.993 528 T HN 0.462 nan 8.240 nan 0.000 0.535 529 F N 0.474 120.514 119.950 0.151 0.000 2.120 529 F HA -0.057 4.470 4.527 -0.000 0.000 0.300 529 F C 2.103 177.987 175.800 0.140 0.000 1.095 529 F CA 1.434 59.503 58.000 0.116 0.000 1.249 529 F CB -0.327 38.745 39.000 0.119 0.000 0.995 529 F HN 0.777 nan 8.300 nan 0.000 0.480 530 W N 1.335 122.854 121.300 0.365 0.000 2.355 530 W HA -0.243 4.417 4.660 -0.000 0.000 0.309 530 W C 1.788 178.340 176.519 0.055 0.000 1.206 530 W CA 2.030 59.514 57.345 0.231 0.000 1.284 530 W CB -0.568 29.016 29.460 0.208 0.000 1.145 530 W HN 0.042 nan 8.180 nan 0.000 0.502 531 D N 0.421 120.908 120.400 0.146 0.000 2.144 531 D HA -0.201 4.439 4.640 -0.000 0.000 0.200 531 D C 1.878 178.054 176.300 -0.205 0.000 0.978 531 D CA 1.949 55.923 54.000 -0.044 0.000 0.833 531 D CB -0.463 40.467 40.800 0.216 0.000 0.961 531 D HN 0.099 nan 8.370 nan 0.000 0.470 532 K N 0.931 121.264 120.400 -0.111 0.000 2.032 532 K HA -0.115 4.205 4.320 -0.000 0.000 0.209 532 K C 2.010 178.449 176.600 -0.267 0.000 1.048 532 K CA 1.160 57.335 56.287 -0.187 0.000 0.927 532 K CB -0.486 31.876 32.500 -0.229 0.000 0.712 532 K HN 0.147 nan 8.250 nan 0.000 0.441 533 M N -0.119 119.256 119.600 -0.376 0.000 2.229 533 M HA -0.112 4.368 4.480 -0.000 0.000 0.264 533 M C 2.000 178.029 176.300 -0.451 0.000 1.063 533 M CA 1.711 56.773 55.300 -0.397 0.000 1.114 533 M CB -0.193 32.193 32.600 -0.358 0.000 1.387 533 M HN 0.278 nan 8.290 nan 0.000 0.420 534 S N -0.330 115.004 115.700 -0.611 0.000 2.419 534 S HA -0.083 4.387 4.470 -0.000 0.000 0.233 534 S C 1.299 175.569 174.600 -0.550 0.000 1.016 534 S CA 1.108 58.908 58.200 -0.666 0.000 0.974 534 S CB -0.307 62.419 63.200 -0.790 0.000 0.786 534 S HN 0.605 nan 8.310 nan 0.000 0.492 535 F N 0.989 120.773 119.950 -0.277 0.000 2.374 535 F HA 0.409 4.936 4.527 -0.000 0.000 0.291 535 F C 2.409 178.094 175.800 -0.190 0.000 1.084 535 F CA 0.433 58.301 58.000 -0.220 0.000 1.413 535 F CB -0.837 38.011 39.000 -0.254 0.000 1.099 535 F HN 0.208 nan 8.300 nan 0.000 0.534 536 A N -0.543 122.253 122.820 -0.040 0.000 2.016 536 A HA 0.117 4.437 4.320 -0.000 0.000 0.217 536 A C 0.788 178.311 177.584 -0.101 0.000 1.162 536 A CA 1.061 53.052 52.037 -0.077 0.000 0.662 536 A CB -0.454 18.474 19.000 -0.119 0.000 0.812 536 A HN 0.205 nan 8.150 nan 0.000 0.450 537 L N 0.244 121.379 121.223 -0.147 0.000 2.594 537 L HA 0.293 4.633 4.340 -0.000 0.000 0.245 537 L C -1.803 174.970 176.870 -0.162 0.000 1.460 537 L CA -0.927 53.825 54.840 -0.146 0.000 0.865 537 L CB 1.467 43.426 42.059 -0.166 0.000 1.131 537 L HN 0.068 nan 8.230 nan 0.000 0.506 538 P HA -0.166 nan 4.420 nan 0.000 0.222 538 P C 0.901 178.140 177.300 -0.102 0.000 1.147 538 P CA 1.117 64.144 63.100 -0.121 0.000 0.790 538 P CB 0.628 32.286 31.700 -0.070 0.000 0.780 539 Q N -0.473 119.273 119.800 -0.089 0.000 2.392 539 Q HA 0.134 4.474 4.340 -0.000 0.000 0.203 539 Q C 0.713 176.666 176.000 -0.079 0.000 0.917 539 Q CA 0.318 56.078 55.803 -0.072 0.000 0.939 539 Q CB -0.013 28.690 28.738 -0.058 0.000 1.063 539 Q HN 0.435 nan 8.270 nan 0.000 0.516 540 E N 1.033 121.171 120.200 -0.104 0.000 2.343 540 E HA 0.105 4.454 4.350 -0.000 0.000 0.269 540 E C -0.365 176.176 176.600 -0.098 0.000 1.047 540 E CA -0.410 55.928 56.400 -0.103 0.000 0.874 540 E CB 0.618 30.243 29.700 -0.125 0.000 1.033 540 E HN 0.306 nan 8.360 nan 0.000 0.409 541 N N 1.256 119.914 118.700 -0.070 0.000 2.381 541 N HA -0.013 4.727 4.740 -0.000 0.000 0.254 541 N C 0.036 175.527 175.510 -0.031 0.000 1.264 541 N CA -0.272 52.753 53.050 -0.042 0.000 0.942 541 N CB 0.560 39.033 38.487 -0.024 0.000 1.190 541 N HN 0.242 nan 8.380 nan 0.000 0.495 542 D N -0.720 119.696 120.400 0.026 0.000 2.178 542 D HA -0.156 4.484 4.640 -0.000 0.000 0.201 542 D C 1.564 177.886 176.300 0.037 0.000 0.980 542 D CA 1.054 55.118 54.000 0.107 0.000 0.842 542 D CB -0.426 40.459 40.800 0.141 0.000 0.948 542 D HN 0.584 nan 8.370 nan 0.000 0.472 543 S N -0.289 115.413 115.700 0.004 0.000 2.368 543 S HA -0.111 4.359 4.470 -0.000 0.000 0.225 543 S C 1.896 176.476 174.600 -0.033 0.000 1.030 543 S CA 0.917 59.107 58.200 -0.016 0.000 0.999 543 S CB 0.114 63.312 63.200 -0.002 0.000 0.844 543 S HN 0.145 nan 8.310 nan 0.000 0.459 544 R N 0.369 120.845 120.500 -0.039 0.000 2.090 544 R HA 0.075 4.415 4.340 -0.000 0.000 0.228 544 R C 2.483 178.749 176.300 -0.057 0.000 1.110 544 R CA 1.099 57.167 56.100 -0.054 0.000 0.973 544 R CB -0.135 30.122 30.300 -0.071 0.000 0.869 544 R HN 0.371 nan 8.270 nan 0.000 0.440 545 K N 0.335 120.692 120.400 -0.072 0.000 2.026 545 K HA -0.138 4.182 4.320 -0.000 0.000 0.208 545 K C 2.155 178.777 176.600 0.036 0.000 1.048 545 K CA 1.386 57.609 56.287 -0.108 0.000 0.929 545 K CB -0.090 32.201 32.500 -0.349 0.000 0.713 545 K HN 0.114 nan 8.250 nan 0.000 0.439 546 R N 0.639 121.134 120.500 -0.008 0.000 2.091 546 R HA -0.132 4.208 4.340 -0.000 0.000 0.238 546 R C 2.645 178.989 176.300 0.073 0.000 1.136 546 R CA 1.847 57.818 56.100 -0.214 0.000 0.959 546 R CB -0.503 29.459 30.300 -0.564 0.000 0.856 546 R HN 0.311 nan 8.270 nan 0.000 0.437 547 S N 0.889 116.599 115.700 0.017 0.000 2.399 547 S HA -0.132 4.338 4.470 -0.000 0.000 0.231 547 S C 1.932 176.555 174.600 0.037 0.000 1.022 547 S CA 0.799 59.009 58.200 0.016 0.000 0.983 547 S CB -0.215 62.972 63.200 -0.022 0.000 0.803 547 S HN 0.312 nan 8.310 nan 0.000 0.480 548 R N 0.893 121.415 120.500 0.037 0.000 2.090 548 R HA 0.006 4.346 4.340 -0.000 0.000 0.228 548 R C 2.697 179.024 176.300 0.045 0.000 1.110 548 R CA 1.388 57.515 56.100 0.046 0.000 0.973 548 R CB -0.414 29.916 30.300 0.049 0.000 0.869 548 R HN 0.629 nan 8.270 nan 0.000 0.440 549 Q N 1.053 120.894 119.800 0.069 0.000 2.123 549 Q HA -0.073 4.267 4.340 -0.000 0.000 0.199 549 Q C 2.053 177.986 176.000 -0.111 0.000 0.966 549 Q CA 1.101 56.788 55.803 -0.192 0.000 0.845 549 Q CB 0.198 29.056 28.738 0.200 0.000 0.907 549 Q HN 0.218 nan 8.270 nan 0.000 0.439 550 R N 0.018 120.590 120.500 0.119 0.000 2.096 550 R HA -0.149 4.191 4.340 -0.000 0.000 0.235 550 R C 2.374 178.772 176.300 0.162 0.000 1.127 550 R CA 1.204 57.406 56.100 0.169 0.000 0.968 550 R CB -0.458 29.943 30.300 0.168 0.000 0.861 550 R HN 0.280 nan 8.270 nan 0.000 0.440 551 L N 0.998 122.279 121.223 0.098 0.000 2.012 551 L HA -0.139 4.201 4.340 -0.000 0.000 0.210 551 L C 2.266 179.138 176.870 0.003 0.000 1.073 551 L CA 2.074 56.974 54.840 0.100 0.000 0.748 551 L CB -0.737 41.372 42.059 0.083 0.000 0.891 551 L HN 0.123 nan 8.230 nan 0.000 0.431 552 A N -0.901 121.869 122.820 -0.083 0.000 1.978 552 A HA -0.106 4.213 4.320 -0.000 0.000 0.220 552 A C 2.418 179.911 177.584 -0.153 0.000 1.170 552 A CA 2.353 54.302 52.037 -0.147 0.000 0.636 552 A CB -1.588 17.184 19.000 -0.380 0.000 0.810 552 A HN 0.533 nan 8.150 nan 0.000 0.448 553 V N -0.924 118.917 119.914 -0.121 0.000 2.307 553 V HA 0.068 4.188 4.120 -0.000 0.000 0.245 553 V C 2.809 178.888 176.094 -0.025 0.000 1.045 553 V CA 2.754 65.012 62.300 -0.069 0.000 1.024 553 V CB -1.394 30.407 31.823 -0.036 0.000 0.651 553 V HN 0.572 nan 8.190 nan 0.000 0.449 554 A N -0.121 122.724 122.820 0.042 0.000 1.908 554 A HA -0.158 4.162 4.320 -0.000 0.000 0.218 554 A C 2.301 179.927 177.584 0.070 0.000 1.181 554 A CA 1.900 53.996 52.037 0.099 0.000 0.627 554 A CB -0.573 18.591 19.000 0.272 0.000 0.818 554 A HN 0.645 nan 8.150 nan 0.000 0.445 555 I N -0.146 120.341 120.570 -0.138 0.000 2.127 555 I HA -0.257 3.913 4.170 -0.000 0.000 0.241 555 I C 2.273 178.395 176.117 0.008 0.000 1.075 555 I CA 1.108 62.282 61.300 -0.210 0.000 1.334 555 I CB -0.331 37.504 38.000 -0.275 0.000 1.040 555 I HN 0.255 nan 8.210 nan 0.000 0.405 556 I N 0.617 121.139 120.570 -0.080 0.000 2.179 556 I HA -0.257 3.913 4.170 -0.000 0.000 0.242 556 I C 2.513 178.661 176.117 0.050 0.000 1.088 556 I CA 1.805 63.071 61.300 -0.057 0.000 1.357 556 I CB -0.972 36.966 38.000 -0.103 0.000 1.051 556 I HN 0.260 nan 8.210 nan 0.000 0.409 557 L N -0.111 121.122 121.223 0.016 0.000 2.275 557 L HA -0.104 4.236 4.340 -0.000 0.000 0.215 557 L C 1.740 178.586 176.870 -0.040 0.000 1.119 557 L CA 0.761 55.595 54.840 -0.009 0.000 0.790 557 L CB -0.189 41.837 42.059 -0.056 0.000 0.919 557 L HN 0.209 nan 8.230 nan 0.000 0.443 558 L N -0.667 120.570 121.223 0.024 0.000 2.910 558 L HA 0.359 4.699 4.340 -0.000 0.000 0.252 558 L C 0.625 177.677 176.870 0.304 0.000 1.195 558 L CA -0.474 54.370 54.840 0.007 0.000 1.003 558 L CB 0.030 42.118 42.059 0.049 0.000 1.328 558 L HN 0.030 nan 8.230 nan 0.000 0.540 559 A N -0.089 122.871 122.820 0.233 0.000 2.295 559 A HA 0.575 4.895 4.320 -0.000 0.000 0.318 559 A C -0.001 177.702 177.584 0.198 0.000 1.134 559 A CA -0.475 51.690 52.037 0.213 0.000 0.827 559 A CB 0.719 19.909 19.000 0.317 0.000 1.136 559 A HN 0.134 nan 8.150 nan 0.000 0.493 560 Q N 0.222 120.102 119.800 0.132 0.000 2.364 560 Q HA 0.488 4.828 4.340 -0.000 0.000 0.267 560 Q C 0.658 176.726 176.000 0.114 0.000 0.999 560 Q CA 1.313 57.191 55.803 0.126 0.000 0.886 560 Q CB 0.985 29.773 28.738 0.083 0.000 1.243 560 Q HN 1.613 nan 8.270 nan 0.000 0.415 561 G N -0.090 108.783 108.800 0.121 0.000 2.318 561 G HA2 -0.101 3.859 3.960 -0.000 0.000 0.367 561 G HA3 -0.101 3.859 3.960 -0.000 0.000 0.367 561 G C -1.432 173.530 174.900 0.102 0.000 1.260 561 G CA -0.619 44.547 45.100 0.109 0.000 1.055 561 G HN 0.423 nan 8.290 nan 0.000 0.484 562 V N 2.958 122.907 119.914 0.058 0.000 2.313 562 V HA 0.510 4.630 4.120 -0.000 0.000 0.278 562 V C -1.796 174.316 176.094 0.030 0.000 1.017 562 V CA -1.079 61.223 62.300 0.004 0.000 0.823 562 V CB 1.400 33.142 31.823 -0.134 0.000 1.010 562 V HN 0.646 nan 8.190 nan 0.000 0.443 563 P HA 0.215 nan 4.420 nan 0.000 0.276 563 P C -1.042 176.346 177.300 0.146 0.000 1.235 563 P CA -0.054 63.112 63.100 0.112 0.000 0.772 563 P CB 0.873 32.622 31.700 0.081 0.000 0.871 564 F N 4.722 124.695 119.950 0.038 0.000 2.518 564 F HA 0.564 5.091 4.527 -0.000 0.000 0.323 564 F C -1.115 174.766 175.800 0.135 0.000 1.129 564 F CA -1.149 56.891 58.000 0.066 0.000 0.920 564 F CB 1.156 40.192 39.000 0.061 0.000 1.160 564 F HN 0.139 nan 8.300 nan 0.000 0.440 565 I N 5.894 126.407 120.570 -0.094 0.000 2.436 565 I HA 0.224 4.394 4.170 -0.000 0.000 0.289 565 I C -0.520 175.484 176.117 -0.188 0.000 1.010 565 I CA -0.793 60.512 61.300 0.009 0.000 1.098 565 I CB 1.740 39.781 38.000 0.069 0.000 1.266 565 I HN 0.591 nan 8.210 nan 0.000 0.434 566 H N 5.424 124.443 119.070 -0.085 0.000 2.767 566 H HA 0.133 4.689 4.556 -0.000 0.000 0.316 566 H C 0.197 175.302 175.328 -0.372 0.000 1.059 566 H CA -0.198 55.752 56.048 -0.164 0.000 1.461 566 H CB 1.261 31.055 29.762 0.053 0.000 1.475 566 H HN 0.616 nan 8.280 nan 0.000 0.531 567 S N 3.063 118.144 115.700 -1.030 0.000 2.626 567 S HA 0.083 4.553 4.470 -0.000 0.000 0.303 567 S C 1.323 175.473 174.600 -0.750 0.000 1.256 567 S CA 1.029 58.578 58.200 -1.085 0.000 1.069 567 S CB -0.430 62.251 63.200 -0.865 0.000 0.807 567 S HN 1.047 nan 8.310 nan 0.000 0.500 568 G N 3.875 112.269 108.800 -0.675 0.000 2.258 568 G HA2 -0.320 3.640 3.960 -0.000 0.000 0.233 568 G HA3 -0.320 3.640 3.960 -0.000 0.000 0.233 568 G C 0.886 175.193 174.900 -0.989 0.000 1.006 568 G CA 0.717 45.058 45.100 -1.265 0.000 0.620 568 G HN 0.725 nan 8.290 nan 0.000 0.511 569 Q N 0.796 120.313 119.800 -0.471 0.000 2.133 569 Q HA -0.220 4.120 4.340 -0.000 0.000 0.208 569 Q C 2.514 178.281 176.000 -0.387 0.000 0.991 569 Q CA 2.304 57.959 55.803 -0.246 0.000 0.867 569 Q CB -0.260 28.443 28.738 -0.060 0.000 0.911 569 Q HN 0.778 nan 8.270 nan 0.000 0.417 570 E N 0.286 120.262 120.200 -0.374 0.000 2.267 570 E HA -0.188 4.162 4.350 -0.000 0.000 0.197 570 E C 0.550 176.908 176.600 -0.403 0.000 0.998 570 E CA 1.053 57.277 56.400 -0.294 0.000 0.830 570 E CB -0.308 29.356 29.700 -0.061 0.000 0.751 570 E HN 0.582 nan 8.360 nan 0.000 0.491 571 F N -1.763 117.961 119.950 -0.376 0.000 2.818 571 F HA 0.451 4.978 4.527 -0.000 0.000 0.369 571 F C -0.669 174.886 175.800 -0.408 0.000 1.327 571 F CA -2.070 55.675 58.000 -0.426 0.000 1.211 571 F CB -0.693 38.269 39.000 -0.064 0.000 1.036 571 F HN -0.233 nan 8.300 nan 0.000 0.510 572 F N -0.320 119.541 119.950 -0.148 0.000 3.079 572 F HA -0.277 4.250 4.527 -0.000 0.000 0.274 572 F C 1.220 176.924 175.800 -0.160 0.000 0.940 572 F CA 0.651 58.508 58.000 -0.238 0.000 0.932 572 F CB -1.809 36.703 39.000 -0.813 0.000 0.891 572 F HN 0.509 nan 8.300 nan 0.000 0.722 573 R N 0.899 121.390 120.500 -0.014 0.000 2.478 573 R HA 0.129 4.469 4.340 -0.000 0.000 0.281 573 R C 0.423 176.832 176.300 0.182 0.000 0.939 573 R CA 1.281 57.414 56.100 0.055 0.000 1.120 573 R CB 0.476 30.723 30.300 -0.088 0.000 0.885 573 R HN 0.292 nan 8.270 nan 0.000 0.415 574 T N 2.876 117.537 114.554 0.178 0.000 2.887 574 T HA 0.330 4.680 4.350 -0.000 0.000 0.288 574 T C -0.126 174.691 174.700 0.195 0.000 1.021 574 T CA -0.816 61.429 62.100 0.242 0.000 1.000 574 T CB 1.228 70.243 68.868 0.245 0.000 1.034 574 T HN 0.694 nan 8.240 nan 0.000 0.467 575 K N 2.396 122.922 120.400 0.210 0.000 2.618 575 K HA 0.211 4.531 4.320 -0.000 0.000 0.207 575 K C 0.223 176.911 176.600 0.147 0.000 1.058 575 K CA -0.141 56.243 56.287 0.162 0.000 1.086 575 K CB 0.350 32.955 32.500 0.174 0.000 0.827 575 K HN 0.725 nan 8.250 nan 0.000 0.481 576 Q N -0.606 119.288 119.800 0.157 0.000 2.475 576 Q HA -0.250 4.090 4.340 -0.000 0.000 0.280 576 Q C 0.592 176.692 176.000 0.167 0.000 1.234 576 Q CA 0.533 56.417 55.803 0.135 0.000 0.873 576 Q CB -2.004 26.789 28.738 0.092 0.000 1.256 576 Q HN 0.740 nan 8.270 nan 0.000 0.475 577 G N -1.890 107.052 108.800 0.236 0.000 2.179 577 G HA2 -0.327 3.633 3.960 -0.000 0.000 0.260 577 G HA3 -0.327 3.633 3.960 -0.000 0.000 0.260 577 G C 0.279 175.430 174.900 0.417 0.000 0.977 577 G CA 0.010 45.346 45.100 0.394 0.000 0.641 577 G HN 0.416 nan 8.290 nan 0.000 0.533 578 V N 1.212 121.265 119.914 0.232 0.000 2.529 578 V HA 0.241 4.361 4.120 -0.000 0.000 0.292 578 V C 1.566 177.653 176.094 -0.012 0.000 1.028 578 V CA 1.186 63.548 62.300 0.104 0.000 1.074 578 V CB 1.554 33.400 31.823 0.037 0.000 0.958 578 V HN 0.526 nan 8.190 nan 0.000 0.481 579 E N 4.310 124.379 120.200 -0.218 0.000 2.086 579 E HA -0.046 4.304 4.350 -0.000 0.000 0.190 579 E C 0.973 177.449 176.600 -0.207 0.000 0.975 579 E CA 0.528 56.569 56.400 -0.598 0.000 0.813 579 E CB 0.231 29.562 29.700 -0.615 0.000 0.768 579 E HN 0.799 nan 8.360 nan 0.000 0.457 580 N N 0.289 118.953 118.700 -0.059 0.000 2.716 580 N HA 0.044 4.784 4.740 -0.000 0.000 0.253 580 N C -0.556 174.934 175.510 -0.034 0.000 1.170 580 N CA -0.084 53.007 53.050 0.069 0.000 0.807 580 N CB 0.947 39.494 38.487 0.100 0.000 1.183 580 N HN -0.040 nan 8.380 nan 0.000 0.524 581 S N 1.990 117.632 115.700 -0.097 0.000 2.840 581 S HA -0.067 4.403 4.470 -0.000 0.000 0.235 581 S C 1.423 175.506 174.600 -0.862 0.000 0.968 581 S CA -0.495 57.514 58.200 -0.319 0.000 1.026 581 S CB -0.843 62.307 63.200 -0.083 0.000 0.788 581 S HN 0.691 nan 8.310 nan 0.000 0.487 582 Y N 2.008 121.466 120.300 -1.403 0.000 2.298 582 Y HA -0.150 4.400 4.550 -0.000 0.000 0.287 582 Y C 1.757 177.294 175.900 -0.605 0.000 1.164 582 Y CA 1.569 58.680 58.100 -1.648 0.000 1.229 582 Y CB -0.792 37.155 38.460 -0.855 0.000 0.977 582 Y HN 0.648 nan 8.280 nan 0.000 0.538 583 Q N 0.045 119.226 119.800 -1.032 0.000 2.112 583 Q HA 0.373 4.713 4.340 -0.000 0.000 0.222 583 Q C -0.398 175.386 176.000 -0.360 0.000 0.798 583 Q CA -0.215 55.264 55.803 -0.539 0.000 1.060 583 Q CB 0.299 28.604 28.738 -0.722 0.000 1.184 583 Q HN 0.204 nan 8.270 nan 0.000 0.475 584 S N 1.944 117.377 115.700 -0.445 0.000 2.585 584 S HA 0.249 4.719 4.470 -0.000 0.000 0.273 584 S C 0.352 174.709 174.600 -0.404 0.000 1.339 584 S CA -0.130 57.852 58.200 -0.363 0.000 1.028 584 S CB 1.238 64.242 63.200 -0.327 0.000 0.906 584 S HN 0.582 nan 8.310 nan 0.000 0.528 585 S N 1.337 116.887 115.700 -0.250 0.000 2.592 585 S HA 0.029 4.499 4.470 -0.000 0.000 0.256 585 S C 0.530 174.963 174.600 -0.279 0.000 1.369 585 S CA -0.310 57.776 58.200 -0.191 0.000 0.984 585 S CB 0.177 63.317 63.200 -0.099 0.000 0.919 585 S HN 0.669 nan 8.310 nan 0.000 0.576 586 D N 0.927 121.239 120.400 -0.147 0.000 2.219 586 D HA -0.079 4.561 4.640 -0.000 0.000 0.205 586 D C 2.232 178.494 176.300 -0.064 0.000 0.970 586 D CA 1.595 55.536 54.000 -0.097 0.000 0.851 586 D CB -0.487 40.329 40.800 0.027 0.000 0.943 586 D HN 0.742 nan 8.370 nan 0.000 0.488 587 S N 0.349 116.016 115.700 -0.056 0.000 2.423 587 S HA -0.089 4.381 4.470 -0.000 0.000 0.231 587 S C 1.991 176.578 174.600 -0.022 0.000 1.014 587 S CA 0.404 58.589 58.200 -0.024 0.000 0.965 587 S CB -0.059 63.128 63.200 -0.022 0.000 0.785 587 S HN 0.113 nan 8.310 nan 0.000 0.495 588 I N 2.534 123.061 120.570 -0.071 0.000 2.339 588 I HA 0.058 4.228 4.170 -0.000 0.000 0.245 588 I C 1.804 177.887 176.117 -0.057 0.000 1.096 588 I CA 0.863 62.128 61.300 -0.060 0.000 1.408 588 I CB -1.167 36.769 38.000 -0.107 0.000 1.092 588 I HN 0.349 nan 8.210 nan 0.000 0.423 589 N N 1.133 119.736 118.700 -0.161 0.000 2.392 589 N HA -0.025 4.715 4.740 -0.000 0.000 0.177 589 N C 0.813 176.324 175.510 0.002 0.000 1.066 589 N CA -0.043 52.933 53.050 -0.124 0.000 0.895 589 N CB 0.245 38.460 38.487 -0.453 0.000 0.988 589 N HN 0.572 nan 8.380 nan 0.000 0.457 590 Q N 0.897 120.712 119.800 0.024 0.000 2.386 590 Q HA 0.038 4.378 4.340 -0.000 0.000 0.282 590 Q C -0.128 175.920 176.000 0.079 0.000 1.050 590 Q CA 0.172 56.038 55.803 0.105 0.000 0.918 590 Q CB 0.981 29.808 28.738 0.148 0.000 1.266 590 Q HN 0.125 nan 8.270 nan 0.000 0.423 591 L N 3.130 124.378 121.223 0.041 0.000 2.325 591 L HA 0.095 4.435 4.340 -0.000 0.000 0.284 591 L C -0.201 176.476 176.870 -0.320 0.000 1.089 591 L CA -0.086 54.666 54.840 -0.146 0.000 0.836 591 L CB 0.685 42.577 42.059 -0.279 0.000 1.184 591 L HN 0.843 nan 8.230 nan 0.000 0.444 592 D N 4.187 124.447 120.400 -0.233 0.000 2.383 592 D HA -0.047 4.593 4.640 -0.000 0.000 0.245 592 D C 0.621 176.429 176.300 -0.820 0.000 1.263 592 D CA -0.032 53.723 54.000 -0.407 0.000 0.936 592 D CB 0.352 41.071 40.800 -0.134 0.000 1.053 592 D HN 0.407 nan 8.370 nan 0.000 0.507 593 W N 2.056 122.831 121.300 -0.874 0.000 2.595 593 W HA -0.038 4.622 4.660 -0.000 0.000 0.257 593 W C 1.710 177.845 176.519 -0.640 0.000 1.267 593 W CA -0.226 56.670 57.345 -0.748 0.000 1.300 593 W CB 0.322 29.428 29.460 -0.590 0.000 1.120 593 W HN 0.336 nan 8.180 nan 0.000 0.618 594 D N -0.220 119.927 120.400 -0.422 0.000 2.123 594 D HA -0.140 4.500 4.640 -0.000 0.000 0.200 594 D C 2.050 178.157 176.300 -0.322 0.000 0.976 594 D CA 1.100 54.954 54.000 -0.243 0.000 0.831 594 D CB -0.417 40.320 40.800 -0.105 0.000 0.974 594 D HN 0.142 nan 8.370 nan 0.000 0.469 595 R N 0.795 121.055 120.500 -0.400 0.000 2.096 595 R HA -0.092 4.248 4.340 -0.000 0.000 0.235 595 R C 2.224 178.173 176.300 -0.585 0.000 1.127 595 R CA 0.911 56.795 56.100 -0.361 0.000 0.968 595 R CB 0.061 30.249 30.300 -0.188 0.000 0.861 595 R HN -0.054 nan 8.270 nan 0.000 0.440 596 R N 1.162 120.997 120.500 -1.107 0.000 2.096 596 R HA -0.146 4.194 4.340 -0.000 0.000 0.235 596 R C 1.374 177.466 176.300 -0.346 0.000 1.127 596 R CA 1.917 57.406 56.100 -1.019 0.000 0.968 596 R CB -0.173 29.506 30.300 -1.035 0.000 0.861 596 R HN 0.452 nan 8.270 nan 0.000 0.440 597 E N -0.503 119.520 120.200 -0.295 0.000 2.015 597 E HA -0.100 4.250 4.350 -0.000 0.000 0.191 597 E C 1.927 178.405 176.600 -0.204 0.000 0.991 597 E CA 1.824 58.118 56.400 -0.176 0.000 0.802 597 E CB -0.238 29.368 29.700 -0.158 0.000 0.759 597 E HN 0.347 nan 8.360 nan 0.000 0.447 598 T N 0.952 115.307 114.554 -0.331 0.000 2.685 598 T HA -0.182 4.168 4.350 -0.000 0.000 0.268 598 T C 0.861 175.173 174.700 -0.647 0.000 1.034 598 T CA 1.305 63.075 62.100 -0.549 0.000 1.149 598 T CB -0.227 68.150 68.868 -0.819 0.000 0.860 598 T HN 0.045 nan 8.240 nan 0.000 0.449 599 F N 1.548 121.500 119.950 0.002 0.000 2.923 599 F HA 0.336 4.863 4.527 -0.000 0.000 0.314 599 F C 1.454 177.321 175.800 0.112 0.000 1.196 599 F CA -1.313 56.751 58.000 0.107 0.000 1.320 599 F CB -0.212 38.931 39.000 0.238 0.000 0.953 599 F HN 0.156 nan 8.300 nan 0.000 0.505 600 K N -0.635 119.852 120.400 0.146 0.000 2.152 600 K HA -0.182 4.138 4.320 -0.000 0.000 0.206 600 K C 1.240 177.970 176.600 0.216 0.000 1.048 600 K CA 1.627 58.007 56.287 0.156 0.000 0.933 600 K CB -0.089 32.455 32.500 0.074 0.000 0.721 600 K HN 0.112 nan 8.250 nan 0.000 0.447 601 E N 1.732 122.063 120.200 0.218 0.000 2.072 601 E HA -0.144 4.206 4.350 -0.000 0.000 0.191 601 E C 1.817 178.606 176.600 0.315 0.000 0.985 601 E CA 1.182 57.734 56.400 0.253 0.000 0.801 601 E CB -0.329 29.495 29.700 0.207 0.000 0.750 601 E HN 0.463 nan 8.360 nan 0.000 0.452 602 D N 0.671 121.270 120.400 0.332 0.000 2.117 602 D HA -0.111 4.529 4.640 -0.000 0.000 0.197 602 D C 2.118 178.570 176.300 0.253 0.000 0.987 602 D CA 0.807 54.993 54.000 0.309 0.000 0.829 602 D CB 0.016 41.039 40.800 0.370 0.000 0.961 602 D HN 0.007 nan 8.370 nan 0.000 0.460 603 V N 1.270 121.334 119.914 0.251 0.000 2.332 603 V HA -0.248 3.872 4.120 -0.000 0.000 0.248 603 V C 2.447 178.668 176.094 0.213 0.000 1.055 603 V CA 1.616 64.053 62.300 0.228 0.000 1.038 603 V CB -0.709 31.310 31.823 0.327 0.000 0.651 603 V HN 0.387 nan 8.190 nan 0.000 0.450 604 H N -1.606 117.555 119.070 0.151 0.000 2.422 604 H HA -0.251 4.304 4.556 -0.000 0.000 0.298 604 H C 2.252 177.642 175.328 0.104 0.000 1.098 604 H CA 2.150 58.258 56.048 0.101 0.000 1.315 604 H CB 0.016 29.845 29.762 0.110 0.000 1.382 604 H HN 0.598 nan 8.280 nan 0.000 0.523 605 Y N 0.479 120.777 120.300 -0.003 0.000 2.200 605 Y HA -0.190 4.360 4.550 -0.000 0.000 0.290 605 Y C 2.268 178.141 175.900 -0.044 0.000 1.137 605 Y CA 1.231 59.325 58.100 -0.010 0.000 1.163 605 Y CB -0.131 38.411 38.460 0.137 0.000 0.988 605 Y HN 0.090 nan 8.280 nan 0.000 0.518 606 I N 0.853 121.406 120.570 -0.029 0.000 2.226 606 I HA -0.268 3.902 4.170 -0.000 0.000 0.245 606 I C 2.614 178.607 176.117 -0.206 0.000 1.100 606 I CA 1.456 62.675 61.300 -0.135 0.000 1.374 606 I CB -0.875 37.094 38.000 -0.052 0.000 1.057 606 I HN 0.198 nan 8.210 nan 0.000 0.413 607 R N 0.511 120.898 120.500 -0.187 0.000 2.096 607 R HA -0.135 4.205 4.340 -0.000 0.000 0.235 607 R C 2.361 178.468 176.300 -0.323 0.000 1.127 607 R CA 1.289 57.259 56.100 -0.216 0.000 0.968 607 R CB -0.083 30.135 30.300 -0.136 0.000 0.861 607 R HN 0.275 nan 8.270 nan 0.000 0.440 608 R N 0.197 120.388 120.500 -0.516 0.000 2.115 608 R HA -0.034 4.306 4.340 -0.000 0.000 0.226 608 R C 2.395 178.315 176.300 -0.633 0.000 1.100 608 R CA 0.936 56.591 56.100 -0.742 0.000 0.980 608 R CB -0.251 29.273 30.300 -1.294 0.000 0.875 608 R HN 0.289 nan 8.270 nan 0.000 0.445 609 L N 0.564 121.506 121.223 -0.468 0.000 2.046 609 L HA -0.184 4.156 4.340 -0.000 0.000 0.208 609 L C 2.406 179.161 176.870 -0.191 0.000 1.077 609 L CA 1.337 56.042 54.840 -0.224 0.000 0.747 609 L CB -0.368 41.540 42.059 -0.251 0.000 0.896 609 L HN 0.154 nan 8.230 nan 0.000 0.432 610 I N -0.984 119.468 120.570 -0.196 0.000 2.226 610 I HA -0.273 3.897 4.170 -0.000 0.000 0.245 610 I C 2.578 178.620 176.117 -0.124 0.000 1.100 610 I CA 1.095 62.312 61.300 -0.139 0.000 1.374 610 I CB -0.235 37.685 38.000 -0.133 0.000 1.057 610 I HN 0.176 nan 8.210 nan 0.000 0.413 611 S N 0.773 116.374 115.700 -0.164 0.000 2.383 611 S HA -0.152 4.318 4.470 -0.000 0.000 0.227 611 S C 1.900 176.443 174.600 -0.094 0.000 1.026 611 S CA 1.092 59.209 58.200 -0.138 0.000 0.981 611 S CB -0.316 62.778 63.200 -0.176 0.000 0.818 611 S HN 0.291 nan 8.310 nan 0.000 0.472 612 L N 2.068 123.250 121.223 -0.069 0.000 2.017 612 L HA 0.002 4.342 4.340 -0.000 0.000 0.208 612 L C 2.361 179.306 176.870 0.126 0.000 1.073 612 L CA 1.709 56.608 54.840 0.097 0.000 0.745 612 L CB -0.471 41.686 42.059 0.164 0.000 0.894 612 L HN 0.142 nan 8.230 nan 0.000 0.432 613 R N -0.339 120.146 120.500 -0.024 0.000 2.073 613 R HA -0.233 4.107 4.340 -0.000 0.000 0.234 613 R C 2.468 178.818 176.300 0.084 0.000 1.134 613 R CA 1.974 58.092 56.100 0.030 0.000 0.952 613 R CB -0.275 29.993 30.300 -0.054 0.000 0.850 613 R HN 0.384 nan 8.270 nan 0.000 0.433 614 K N -0.166 120.233 120.400 -0.001 0.000 2.057 614 K HA -0.109 4.211 4.320 -0.000 0.000 0.207 614 K C 1.737 178.275 176.600 -0.103 0.000 1.049 614 K CA 1.543 57.810 56.287 -0.033 0.000 0.931 614 K CB -0.154 32.315 32.500 -0.052 0.000 0.714 614 K HN 0.265 nan 8.250 nan 0.000 0.440 615 A N 0.488 123.198 122.820 -0.183 0.000 2.168 615 A HA -0.052 4.268 4.320 -0.000 0.000 0.215 615 A C -0.017 177.097 177.584 -0.782 0.000 1.152 615 A CA 0.605 52.371 52.037 -0.452 0.000 0.716 615 A CB -0.147 18.534 19.000 -0.533 0.000 0.794 615 A HN 0.345 nan 8.150 nan 0.000 0.465 616 H N -1.372 117.649 119.070 -0.081 0.000 2.953 616 H HA 0.225 4.781 4.556 -0.000 0.000 0.290 616 H C -2.345 172.975 175.328 -0.014 0.000 1.113 616 H CA -1.799 54.188 56.048 -0.101 0.000 1.454 616 H CB 1.207 30.922 29.762 -0.079 0.000 1.525 616 H HN 0.090 nan 8.280 nan 0.000 0.505 617 P HA -0.142 nan 4.420 nan 0.000 0.222 617 P C 1.443 178.712 177.300 -0.053 0.000 1.142 617 P CA 1.123 64.201 63.100 -0.036 0.000 0.788 617 P CB 0.312 31.957 31.700 -0.092 0.000 0.767 618 A N -1.380 121.374 122.820 -0.110 0.000 1.972 618 A HA -0.162 4.158 4.320 -0.000 0.000 0.219 618 A C 1.567 179.047 177.584 -0.175 0.000 1.169 618 A CA 1.299 53.209 52.037 -0.211 0.000 0.635 618 A CB -1.599 17.206 19.000 -0.326 0.000 0.810 618 A HN 0.132 nan 8.150 nan 0.000 0.446 619 F N -0.540 119.463 119.950 0.089 0.000 2.780 619 F HA 0.139 4.666 4.527 -0.000 0.000 0.299 619 F C 1.506 177.351 175.800 0.075 0.000 1.146 619 F CA 0.589 58.657 58.000 0.113 0.000 1.428 619 F CB 0.118 39.198 39.000 0.133 0.000 1.115 619 F HN 0.070 nan 8.300 nan 0.000 0.583 620 R N 0.314 120.913 120.500 0.165 0.000 2.903 620 R HA 0.225 4.565 4.340 -0.000 0.000 0.363 620 R C -0.833 175.462 176.300 -0.007 0.000 1.161 620 R CA -0.584 55.570 56.100 0.089 0.000 1.109 620 R CB 0.291 30.634 30.300 0.072 0.000 1.399 620 R HN -0.056 nan 8.270 nan 0.000 0.587 621 L N 1.751 122.973 121.223 -0.001 0.000 2.490 621 L HA 0.027 4.367 4.340 -0.000 0.000 0.274 621 L C 1.571 178.404 176.870 -0.061 0.000 1.201 621 L CA 0.739 55.552 54.840 -0.046 0.000 0.869 621 L CB 0.322 42.379 42.059 -0.002 0.000 1.123 621 L HN 0.211 nan 8.230 nan 0.000 0.484 622 R N 1.111 121.526 120.500 -0.141 0.000 2.317 622 R HA 0.176 4.516 4.340 -0.000 0.000 0.208 622 R C 0.003 176.298 176.300 -0.008 0.000 0.914 622 R CA 0.236 56.206 56.100 -0.215 0.000 1.060 622 R CB -0.157 29.845 30.300 -0.497 0.000 1.015 622 R HN 0.700 nan 8.270 nan 0.000 0.498 623 S N -2.130 113.585 115.700 0.026 0.000 2.565 623 S HA 0.506 4.976 4.470 -0.000 0.000 0.269 623 S C 0.430 175.073 174.600 0.071 0.000 1.153 623 S CA -0.371 57.867 58.200 0.064 0.000 0.835 623 S CB 1.809 65.041 63.200 0.053 0.000 1.122 623 S HN -0.023 nan 8.310 nan 0.000 0.462 624 A N 1.342 124.209 122.820 0.079 0.000 2.019 624 A HA 0.274 4.594 4.320 -0.000 0.000 0.219 624 A C 2.201 179.832 177.584 0.078 0.000 1.164 624 A CA 1.943 54.032 52.037 0.086 0.000 0.644 624 A CB -1.411 17.640 19.000 0.085 0.000 0.805 624 A HN 1.560 nan 8.150 nan 0.000 0.449 625 A N 0.017 122.876 122.820 0.065 0.000 1.897 625 A HA -0.111 4.209 4.320 -0.000 0.000 0.215 625 A C 1.740 179.364 177.584 0.067 0.000 1.181 625 A CA 1.617 53.687 52.037 0.056 0.000 0.620 625 A CB -0.415 18.612 19.000 0.045 0.000 0.821 625 A HN 0.447 nan 8.150 nan 0.000 0.443 626 D N 0.219 120.669 120.400 0.082 0.000 2.144 626 D HA -0.095 4.545 4.640 -0.000 0.000 0.200 626 D C 1.867 178.271 176.300 0.173 0.000 0.978 626 D CA 1.045 55.128 54.000 0.139 0.000 0.833 626 D CB -0.333 40.513 40.800 0.077 0.000 0.961 626 D HN 0.523 nan 8.370 nan 0.000 0.470 627 I N 0.622 121.261 120.570 0.115 0.000 2.226 627 I HA -0.292 3.878 4.170 -0.000 0.000 0.245 627 I C 2.488 178.678 176.117 0.122 0.000 1.100 627 I CA 0.952 62.325 61.300 0.122 0.000 1.374 627 I CB -0.173 37.899 38.000 0.120 0.000 1.057 627 I HN -0.067 nan 8.210 nan 0.000 0.413 628 Q N 0.897 120.756 119.800 0.099 0.000 2.181 628 Q HA -0.188 4.152 4.340 -0.000 0.000 0.205 628 Q C 2.255 178.273 176.000 0.029 0.000 0.980 628 Q CA 1.576 57.427 55.803 0.080 0.000 0.862 628 Q CB -0.116 28.652 28.738 0.050 0.000 0.905 628 Q HN 0.215 nan 8.270 nan 0.000 0.429 629 R N -1.257 119.215 120.500 -0.046 0.000 2.100 629 R HA -0.020 4.320 4.340 -0.000 0.000 0.220 629 R C 0.687 176.575 176.300 -0.686 0.000 1.091 629 R CA 1.303 57.234 56.100 -0.282 0.000 0.986 629 R CB 0.140 30.234 30.300 -0.343 0.000 0.888 629 R HN 0.468 nan 8.270 nan 0.000 0.444 630 H N -1.635 117.253 119.070 -0.303 0.000 2.893 630 H HA 0.287 4.843 4.556 -0.000 0.000 0.270 630 H C -0.332 174.780 175.328 -0.360 0.000 1.095 630 H CA -0.164 55.516 56.048 -0.614 0.000 1.186 630 H CB 0.911 30.459 29.762 -0.357 0.000 1.562 630 H HN -0.049 nan 8.280 nan 0.000 0.536 631 L N 1.948 123.212 121.223 0.068 0.000 2.385 631 L HA 0.444 4.784 4.340 -0.000 0.000 0.273 631 L C -1.126 176.000 176.870 0.427 0.000 0.990 631 L CA -0.660 54.348 54.840 0.280 0.000 0.821 631 L CB 1.739 43.941 42.059 0.239 0.000 1.279 631 L HN 0.275 nan 8.230 nan 0.000 0.412 632 E N 3.895 124.392 120.200 0.494 0.000 2.356 632 E HA 0.301 4.651 4.350 -0.000 0.000 0.275 632 E C -1.685 175.174 176.600 0.432 0.000 0.904 632 E CA -0.956 55.719 56.400 0.457 0.000 0.757 632 E CB 1.831 31.744 29.700 0.357 0.000 1.232 632 E HN 0.628 nan 8.360 nan 0.000 0.442 633 C N 3.931 123.521 119.300 0.483 0.000 2.435 633 C HA 0.326 4.786 4.460 -0.000 0.000 0.375 633 C C 0.980 176.153 174.990 0.305 0.000 1.281 633 C CA -0.442 58.816 59.018 0.400 0.000 1.963 633 C CB -0.406 27.633 27.740 0.500 0.000 2.490 633 C HN 0.845 nan 8.230 nan 0.000 0.557 634 L N 4.241 125.636 121.223 0.287 0.000 2.286 634 L HA 0.340 4.680 4.340 -0.000 0.000 0.203 634 L C 1.385 178.430 176.870 0.292 0.000 1.068 634 L CA 1.569 56.581 54.840 0.286 0.000 0.811 634 L CB -0.470 41.831 42.059 0.404 0.000 0.989 634 L HN 0.779 nan 8.230 nan 0.000 0.467 635 T N -0.105 114.632 114.554 0.304 0.000 2.912 635 T HA 0.544 4.894 4.350 -0.000 0.000 0.299 635 T C -1.039 173.781 174.700 0.200 0.000 1.052 635 T CA -0.245 62.022 62.100 0.279 0.000 0.996 635 T CB 2.378 71.497 68.868 0.419 0.000 1.070 635 T HN -0.098 nan 8.240 nan 0.000 0.465 636 L N 2.932 124.257 121.223 0.171 0.000 2.529 636 L HA 0.540 4.880 4.340 -0.000 0.000 0.260 636 L C -0.978 175.967 176.870 0.124 0.000 0.997 636 L CA -0.428 54.490 54.840 0.130 0.000 0.885 636 L CB 0.734 42.872 42.059 0.133 0.000 1.185 636 L HN 0.525 nan 8.230 nan 0.000 0.442 637 K N 1.686 122.171 120.400 0.141 0.000 2.378 637 K HA 0.419 4.739 4.320 -0.000 0.000 0.244 637 K C 0.212 176.886 176.600 0.122 0.000 1.039 637 K CA -0.941 55.418 56.287 0.120 0.000 0.863 637 K CB 1.861 34.440 32.500 0.132 0.000 1.326 637 K HN 0.237 nan 8.250 nan 0.000 0.460 638 E N 0.883 121.074 120.200 -0.016 0.000 2.068 638 E HA -0.203 4.147 4.350 -0.000 0.000 0.207 638 E C 0.862 177.338 176.600 -0.206 0.000 1.032 638 E CA 1.818 58.080 56.400 -0.230 0.000 0.839 638 E CB -0.116 29.215 29.700 -0.616 0.000 0.758 638 E HN 0.418 nan 8.360 nan 0.000 0.457 639 H N -1.868 117.346 119.070 0.239 0.000 2.512 639 H HA 0.306 4.862 4.556 -0.000 0.000 0.276 639 H C -0.163 175.392 175.328 0.378 0.000 1.126 639 H CA -0.260 55.868 56.048 0.134 0.000 1.060 639 H CB 0.595 30.347 29.762 -0.016 0.000 1.646 639 H HN -0.018 nan 8.280 nan 0.000 0.571 640 L N 1.670 123.209 121.223 0.525 0.000 2.470 640 L HA 0.477 4.817 4.340 -0.000 0.000 0.268 640 L C -1.354 175.705 176.870 0.315 0.000 0.964 640 L CA -0.492 54.608 54.840 0.433 0.000 0.839 640 L CB 2.038 44.255 42.059 0.263 0.000 1.276 640 L HN 0.061 nan 8.230 nan 0.000 0.403 641 I N 4.328 125.056 120.570 0.263 0.000 2.478 641 I HA 0.602 4.772 4.170 -0.000 0.000 0.287 641 I C -0.255 175.894 176.117 0.053 0.000 1.042 641 I CA -0.515 60.857 61.300 0.119 0.000 1.067 641 I CB 2.118 40.117 38.000 -0.000 0.000 1.233 641 I HN 0.743 nan 8.210 nan 0.000 0.431 642 A N 6.814 129.645 122.820 0.018 0.000 2.335 642 A HA 0.812 5.132 4.320 -0.000 0.000 0.304 642 A C -1.241 176.403 177.584 0.100 0.000 1.118 642 A CA -0.387 51.560 52.037 -0.149 0.000 0.757 642 A CB 0.794 19.523 19.000 -0.453 0.000 1.188 642 A HN 0.685 nan 8.150 nan 0.000 0.460 643 Y N 0.510 120.780 120.300 -0.050 0.000 2.665 643 Y HA 0.923 5.473 4.550 -0.000 0.000 0.336 643 Y C -0.415 175.532 175.900 0.078 0.000 1.085 643 Y CA -1.521 56.613 58.100 0.056 0.000 1.096 643 Y CB 1.211 39.701 38.460 0.049 0.000 1.301 643 Y HN 0.850 nan 8.280 nan 0.000 0.493 644 R N 0.574 121.199 120.500 0.210 0.000 2.680 644 R HA 0.682 5.022 4.340 -0.000 0.000 0.269 644 R C -2.606 173.876 176.300 0.303 0.000 1.026 644 R CA -0.788 55.389 56.100 0.129 0.000 0.889 644 R CB 1.108 31.501 30.300 0.156 0.000 1.241 644 R HN 0.573 nan 8.270 nan 0.000 0.463 645 L N 3.335 124.683 121.223 0.209 0.000 2.313 645 L HA 0.566 4.906 4.340 -0.000 0.000 0.283 645 L C -0.660 176.352 176.870 0.237 0.000 1.013 645 L CA -0.885 54.062 54.840 0.177 0.000 0.816 645 L CB 0.510 42.569 42.059 0.000 0.000 1.236 645 L HN 0.864 nan 8.230 nan 0.000 0.419 646 Y N -0.729 119.670 120.300 0.166 0.000 2.665 646 Y HA 0.618 5.168 4.550 -0.000 0.000 0.336 646 Y C -0.059 175.977 175.900 0.226 0.000 1.085 646 Y CA -1.586 56.611 58.100 0.162 0.000 1.096 646 Y CB 0.798 39.336 38.460 0.129 0.000 1.301 646 Y HN 0.511 nan 8.280 nan 0.000 0.493 647 D N 0.859 121.452 120.400 0.321 0.000 2.689 647 D HA -0.165 4.475 4.640 -0.000 0.000 0.237 647 D C -0.140 176.295 176.300 0.225 0.000 1.148 647 D CA 1.079 55.227 54.000 0.247 0.000 0.656 647 D CB -1.005 39.916 40.800 0.203 0.000 1.050 647 D HN 0.728 nan 8.370 nan 0.000 0.426 648 L N -0.653 120.649 121.223 0.132 0.000 2.653 648 L HA 0.110 4.450 4.340 -0.000 0.000 0.231 648 L C 1.556 178.442 176.870 0.027 0.000 1.153 648 L CA -0.308 54.543 54.840 0.019 0.000 0.933 648 L CB 0.107 42.174 42.059 0.013 0.000 1.175 648 L HN -0.137 nan 8.230 nan 0.000 0.473 649 D N 0.993 121.432 120.400 0.065 0.000 2.149 649 D HA -0.210 4.430 4.640 -0.000 0.000 0.194 649 D C 1.691 178.005 176.300 0.023 0.000 1.001 649 D CA 1.355 55.388 54.000 0.054 0.000 0.849 649 D CB 0.151 40.989 40.800 0.064 0.000 0.939 649 D HN 0.253 nan 8.370 nan 0.000 0.449 650 E N -0.437 119.766 120.200 0.005 0.000 2.474 650 E HA 0.061 4.411 4.350 -0.000 0.000 0.195 650 E C 1.553 178.122 176.600 -0.051 0.000 1.039 650 E CA 0.151 56.542 56.400 -0.016 0.000 0.881 650 E CB 0.879 30.575 29.700 -0.007 0.000 0.970 650 E HN 0.418 nan 8.360 nan 0.000 0.486 651 V N -3.506 116.362 119.914 -0.076 0.000 3.497 651 V HA 0.335 4.455 4.120 -0.000 0.000 0.272 651 V C 0.440 176.476 176.094 -0.098 0.000 1.474 651 V CA -0.146 62.088 62.300 -0.111 0.000 1.025 651 V CB 1.113 32.824 31.823 -0.187 0.000 0.820 651 V HN -0.137 nan 8.190 nan 0.000 0.437 652 D N 0.201 120.563 120.400 -0.064 0.000 2.581 652 D HA 0.237 4.877 4.640 -0.000 0.000 0.232 652 D C 0.342 176.633 176.300 -0.015 0.000 1.143 652 D CA -0.061 53.912 54.000 -0.046 0.000 0.881 652 D CB 2.994 43.784 40.800 -0.017 0.000 1.500 652 D HN 0.170 nan 8.370 nan 0.000 0.458 653 E N 1.618 121.776 120.200 -0.070 0.000 2.204 653 E HA -0.079 4.271 4.350 -0.000 0.000 0.194 653 E C -0.234 176.454 176.600 0.146 0.000 0.989 653 E CA 0.682 57.045 56.400 -0.062 0.000 0.824 653 E CB 0.306 29.850 29.700 -0.261 0.000 0.756 653 E HN 0.291 nan 8.360 nan 0.000 0.477 654 W N 1.186 122.529 121.300 0.072 0.000 2.496 654 W HA 0.302 4.962 4.660 -0.000 0.000 0.327 654 W C 1.055 177.595 176.519 0.034 0.000 1.086 654 W CA -1.315 56.050 57.345 0.033 0.000 1.222 654 W CB 1.285 30.711 29.460 -0.056 0.000 1.304 654 W HN -0.089 nan 8.180 nan 0.000 0.547 655 K N 0.427 120.992 120.400 0.275 0.000 2.062 655 K HA -0.143 4.177 4.320 -0.000 0.000 0.205 655 K C -0.211 176.499 176.600 0.184 0.000 1.051 655 K CA 1.414 57.804 56.287 0.172 0.000 0.941 655 K CB 0.149 32.712 32.500 0.106 0.000 0.719 655 K HN 0.336 nan 8.250 nan 0.000 0.440 656 D N -0.801 119.718 120.400 0.198 0.000 2.857 656 D HA 0.396 5.036 4.640 -0.000 0.000 0.227 656 D C -1.549 174.909 176.300 0.263 0.000 1.192 656 D CA -0.543 53.602 54.000 0.241 0.000 0.857 656 D CB 1.470 42.435 40.800 0.276 0.000 1.645 656 D HN 0.046 nan 8.370 nan 0.000 0.482 657 I N 3.214 123.913 120.570 0.214 0.000 2.534 657 I HA 0.430 4.600 4.170 -0.000 0.000 0.288 657 I C -0.563 175.589 176.117 0.057 0.000 1.077 657 I CA -0.742 60.652 61.300 0.156 0.000 1.051 657 I CB 2.017 40.060 38.000 0.073 0.000 1.234 657 I HN 0.259 nan 8.210 nan 0.000 0.425 658 I N 6.379 126.947 120.570 -0.004 0.000 2.406 658 I HA 0.491 4.661 4.170 -0.000 0.000 0.290 658 I C -0.697 175.241 176.117 -0.299 0.000 0.999 658 I CA -0.912 60.288 61.300 -0.167 0.000 1.124 658 I CB 2.183 40.082 38.000 -0.168 0.000 1.289 658 I HN 0.167 nan 8.210 nan 0.000 0.441 659 V N 7.433 127.011 119.914 -0.560 0.000 2.540 659 V HA 0.522 4.642 4.120 -0.000 0.000 0.302 659 V C -0.274 175.418 176.094 -0.669 0.000 1.035 659 V CA -0.476 61.454 62.300 -0.617 0.000 0.873 659 V CB 2.196 33.564 31.823 -0.759 0.000 0.992 659 V HN 0.474 nan 8.190 nan 0.000 0.428 660 I N 3.989 124.215 120.570 -0.575 0.000 2.468 660 I HA 0.431 4.601 4.170 -0.000 0.000 0.285 660 I C -0.780 175.154 176.117 -0.305 0.000 1.039 660 I CA -0.402 60.598 61.300 -0.501 0.000 1.074 660 I CB 1.534 39.156 38.000 -0.630 0.000 1.228 660 I HN 0.639 nan 8.210 nan 0.000 0.436 661 H N 4.389 123.509 119.070 0.083 0.000 2.519 661 H HA 0.337 4.893 4.556 -0.000 0.000 0.316 661 H C -0.725 174.808 175.328 0.341 0.000 1.065 661 H CA -0.401 55.786 56.048 0.233 0.000 1.264 661 H CB 1.001 30.965 29.762 0.337 0.000 1.413 661 H HN 0.515 nan 8.280 nan 0.000 0.465 662 H N 2.482 121.698 119.070 0.243 0.000 2.481 662 H HA 0.475 5.031 4.556 -0.000 0.000 0.333 662 H C -0.503 174.861 175.328 0.060 0.000 1.066 662 H CA -0.821 55.317 56.048 0.149 0.000 1.209 662 H CB 1.126 30.931 29.762 0.070 0.000 1.445 662 H HN 0.826 nan 8.280 nan 0.000 0.488 663 A N 4.074 126.777 122.820 -0.196 0.000 2.574 663 A HA 0.180 4.500 4.320 -0.000 0.000 0.283 663 A C -0.190 177.104 177.584 -0.483 0.000 1.270 663 A CA -0.036 51.759 52.037 -0.403 0.000 0.945 663 A CB -0.079 18.453 19.000 -0.779 0.000 1.127 663 A HN 0.534 nan 8.150 nan 0.000 0.522 664 S N -0.962 114.298 115.700 -0.733 0.000 2.548 664 S HA 0.618 5.088 4.470 -0.000 0.000 0.286 664 S C -2.298 171.976 174.600 -0.543 0.000 1.098 664 S CA -1.172 56.657 58.200 -0.619 0.000 0.930 664 S CB 2.255 65.141 63.200 -0.522 0.000 1.070 664 S HN 0.011 nan 8.310 nan 0.000 0.480 665 P HA -0.020 nan 4.420 nan 0.000 0.226 665 P C 0.084 177.357 177.300 -0.044 0.000 1.153 665 P CA 0.713 63.726 63.100 -0.145 0.000 0.777 665 P CB -0.562 31.069 31.700 -0.115 0.000 0.794 666 D N 0.117 120.510 120.400 -0.011 0.000 2.363 666 D HA 0.150 4.790 4.640 -0.000 0.000 0.240 666 D C -0.096 176.319 176.300 0.191 0.000 1.236 666 D CA -0.435 53.613 54.000 0.080 0.000 0.927 666 D CB 0.160 41.011 40.800 0.085 0.000 1.150 666 D HN -0.163 nan 8.370 nan 0.000 0.458 667 S N -0.564 115.213 115.700 0.128 0.000 2.501 667 S HA 0.653 5.123 4.470 -0.000 0.000 0.301 667 S C -0.627 174.014 174.600 0.070 0.000 1.096 667 S CA -0.500 57.764 58.200 0.105 0.000 1.063 667 S CB 0.366 63.603 63.200 0.062 0.000 1.042 667 S HN 0.816 nan 8.310 nan 0.000 0.494 668 V N 1.389 121.314 119.914 0.018 0.000 3.206 668 V HA 0.747 4.867 4.120 -0.000 0.000 0.305 668 V C -1.277 174.825 176.094 0.013 0.000 1.257 668 V CA -0.958 61.348 62.300 0.009 0.000 1.057 668 V CB 1.930 33.748 31.823 -0.008 0.000 1.075 668 V HN 0.749 nan 8.190 nan 0.000 0.443 669 E N 0.818 121.041 120.200 0.038 0.000 2.179 669 E HA 0.393 4.743 4.350 -0.000 0.000 0.275 669 E C -1.938 174.730 176.600 0.114 0.000 0.945 669 E CA -0.056 56.377 56.400 0.055 0.000 0.792 669 E CB 2.577 32.290 29.700 0.021 0.000 1.125 669 E HN 0.820 nan 8.360 nan 0.000 0.397 670 W N 3.607 124.864 121.300 -0.072 0.000 2.587 670 W HA 0.289 4.949 4.660 -0.000 0.000 0.324 670 W C -0.280 176.195 176.519 -0.074 0.000 1.040 670 W CA -0.668 56.633 57.345 -0.073 0.000 1.222 670 W CB 0.975 30.381 29.460 -0.090 0.000 1.381 670 W HN 0.198 nan 8.180 nan 0.000 0.483 671 R N 5.434 125.450 120.500 -0.806 0.000 2.234 671 R HA 0.239 4.579 4.340 -0.000 0.000 0.324 671 R C -0.567 174.996 176.300 -1.228 0.000 1.054 671 R CA -0.693 54.959 56.100 -0.746 0.000 0.912 671 R CB 0.682 30.675 30.300 -0.511 0.000 1.030 671 R HN 0.465 nan 8.270 nan 0.000 0.455 672 L N 6.133 126.907 121.223 -0.749 0.000 2.473 672 L HA 0.110 4.450 4.340 -0.000 0.000 0.268 672 L C -0.874 175.717 176.870 -0.465 0.000 1.215 672 L CA -0.917 53.542 54.840 -0.634 0.000 0.823 672 L CB 0.217 42.089 42.059 -0.313 0.000 1.099 672 L HN 0.470 nan 8.230 nan 0.000 0.483 673 P HA -0.038 nan 4.420 nan 0.000 0.242 673 P C -0.862 176.379 177.300 -0.098 0.000 1.197 673 P CA 0.626 63.624 63.100 -0.171 0.000 0.765 673 P CB 0.003 31.657 31.700 -0.077 0.000 0.936 674 N N -1.650 117.004 118.700 -0.076 0.000 3.364 674 N HA 0.170 4.910 4.740 -0.000 0.000 0.294 674 N C -0.688 174.820 175.510 -0.003 0.000 1.562 674 N CA -0.639 52.403 53.050 -0.014 0.000 0.862 674 N CB -0.291 38.227 38.487 0.053 0.000 1.691 674 N HN -0.436 nan 8.380 nan 0.000 0.572 675 D N -0.543 119.871 120.400 0.022 0.000 2.440 675 D HA 0.355 4.995 4.640 -0.000 0.000 0.216 675 D C -0.145 176.187 176.300 0.053 0.000 1.150 675 D CA -0.102 53.910 54.000 0.020 0.000 0.832 675 D CB 0.111 40.909 40.800 -0.003 0.000 0.992 675 D HN 0.455 nan 8.370 nan 0.000 0.502 676 I N 1.650 122.282 120.570 0.103 0.000 2.696 676 I HA 0.126 4.296 4.170 -0.000 0.000 0.284 676 I C -2.053 174.132 176.117 0.114 0.000 1.129 676 I CA -1.718 59.622 61.300 0.067 0.000 1.410 676 I CB 0.693 38.699 38.000 0.011 0.000 1.399 676 I HN -0.350 nan 8.210 nan 0.000 0.579 677 P HA 0.181 nan 4.420 nan 0.000 0.276 677 P C -1.362 175.885 177.300 -0.087 0.000 1.235 677 P CA 0.200 63.305 63.100 0.007 0.000 0.772 677 P CB 0.350 32.025 31.700 -0.041 0.000 0.871 678 Y N 1.572 121.794 120.300 -0.130 0.000 2.621 678 Y HA 0.520 5.070 4.550 -0.000 0.000 0.334 678 Y C 0.982 176.691 175.900 -0.320 0.000 1.074 678 Y CA -0.727 57.243 58.100 -0.216 0.000 1.149 678 Y CB 1.422 39.779 38.460 -0.171 0.000 1.302 678 Y HN 0.064 nan 8.280 nan 0.000 0.501 679 R N 1.984 122.226 120.500 -0.430 0.000 2.294 679 R HA 0.267 4.607 4.340 -0.000 0.000 0.319 679 R C -1.095 174.922 176.300 -0.472 0.000 0.984 679 R CA -0.803 54.915 56.100 -0.636 0.000 0.861 679 R CB 1.302 30.748 30.300 -1.423 0.000 1.104 679 R HN 0.504 nan 8.270 nan 0.000 0.451 680 L N 6.300 127.382 121.223 -0.235 0.000 2.356 680 L HA 0.093 4.433 4.340 -0.000 0.000 0.282 680 L C 0.879 177.711 176.870 -0.064 0.000 1.132 680 L CA 0.324 55.090 54.840 -0.124 0.000 0.923 680 L CB 0.221 42.242 42.059 -0.065 0.000 1.278 680 L HN 0.676 nan 8.230 nan 0.000 0.436 681 L N 4.692 125.903 121.223 -0.021 0.000 2.209 681 L HA 0.063 4.403 4.340 -0.000 0.000 0.207 681 L C 0.428 177.313 176.870 0.024 0.000 1.094 681 L CA 0.719 55.642 54.840 0.140 0.000 0.790 681 L CB 0.548 42.804 42.059 0.329 0.000 0.932 681 L HN 0.724 nan 8.230 nan 0.000 0.447 682 C N 0.219 119.448 119.300 -0.117 0.000 3.171 682 C HA 0.551 5.011 4.460 -0.000 0.000 0.336 682 C C -1.526 173.372 174.990 -0.153 0.000 1.198 682 C CA -0.759 58.099 59.018 -0.266 0.000 1.319 682 C CB 1.207 28.481 27.740 -0.777 0.000 1.682 682 C HN 0.619 nan 8.230 nan 0.000 0.497 683 D N 3.209 123.553 120.400 -0.093 0.000 2.744 683 D HA 0.556 5.196 4.640 -0.000 0.000 0.304 683 D C -2.503 173.784 176.300 -0.023 0.000 1.179 683 D CA -1.330 52.642 54.000 -0.047 0.000 1.024 683 D CB 0.451 41.238 40.800 -0.022 0.000 1.453 683 D HN 0.182 nan 8.370 nan 0.000 0.529 684 P HA -0.082 nan 4.420 nan 0.000 0.219 684 P C 0.835 178.112 177.300 -0.039 0.000 1.144 684 P CA 1.381 64.478 63.100 -0.006 0.000 0.806 684 P CB 0.127 31.843 31.700 0.026 0.000 0.771 685 S N -1.818 113.874 115.700 -0.013 0.000 2.496 685 S HA 0.322 4.792 4.470 -0.000 0.000 0.224 685 S C 1.145 175.755 174.600 0.016 0.000 0.996 685 S CA 0.762 58.963 58.200 0.002 0.000 0.927 685 S CB -0.301 62.917 63.200 0.030 0.000 0.774 685 S HN 0.421 nan 8.310 nan 0.000 0.524 686 G N 0.703 109.519 108.800 0.027 0.000 2.343 686 G HA2 0.053 4.012 3.960 -0.000 0.000 0.562 686 G HA3 0.053 4.012 3.960 -0.000 0.000 0.562 686 G C -1.001 174.025 174.900 0.210 0.000 1.269 686 G CA -1.216 43.991 45.100 0.180 0.000 1.011 686 G HN 0.104 nan 8.290 nan 0.000 0.498 687 F N 1.230 121.328 119.950 0.247 0.000 2.459 687 F HA 0.432 4.959 4.527 -0.000 0.000 0.346 687 F C 1.166 177.060 175.800 0.156 0.000 1.128 687 F CA 0.115 58.229 58.000 0.191 0.000 1.268 687 F CB 0.938 40.037 39.000 0.164 0.000 1.161 687 F HN 0.201 nan 8.300 nan 0.000 0.583 688 Q N 2.638 122.608 119.800 0.283 0.000 2.303 688 Q HA 0.140 4.480 4.340 -0.000 0.000 0.257 688 Q C 0.855 176.990 176.000 0.226 0.000 0.941 688 Q CA -0.178 55.747 55.803 0.203 0.000 0.931 688 Q CB 1.133 29.950 28.738 0.132 0.000 1.215 688 Q HN 0.739 nan 8.270 nan 0.000 0.437 689 E N 1.267 121.580 120.200 0.189 0.000 2.171 689 E HA -0.197 4.153 4.350 -0.000 0.000 0.197 689 E C -0.523 176.171 176.600 0.157 0.000 0.997 689 E CA 1.375 57.877 56.400 0.170 0.000 0.810 689 E CB 0.216 29.997 29.700 0.134 0.000 0.738 689 E HN 0.555 nan 8.360 nan 0.000 0.467 690 D N -0.695 119.788 120.400 0.140 0.000 2.381 690 D HA 0.197 4.837 4.640 -0.000 0.000 0.245 690 D C -2.787 173.576 176.300 0.105 0.000 1.297 690 D CA -1.948 52.128 54.000 0.126 0.000 0.931 690 D CB 0.531 41.389 40.800 0.096 0.000 1.334 690 D HN -0.256 nan 8.370 nan 0.000 0.535 691 P HA 0.039 nan 4.420 nan 0.000 0.259 691 P C 0.254 177.553 177.300 -0.002 0.000 1.163 691 P CA 0.510 63.643 63.100 0.055 0.000 0.760 691 P CB 0.486 32.226 31.700 0.066 0.000 0.762 692 T N -0.116 114.424 114.554 -0.023 0.000 2.944 692 T HA 0.439 4.789 4.350 -0.000 0.000 0.284 692 T C -0.070 174.588 174.700 -0.069 0.000 1.010 692 T CA -1.020 61.062 62.100 -0.029 0.000 1.025 692 T CB 1.336 70.199 68.868 -0.008 0.000 1.079 692 T HN 0.248 nan 8.240 nan 0.000 0.516 693 E N 0.377 120.542 120.200 -0.058 0.000 2.277 693 E HA 0.537 4.887 4.350 -0.000 0.000 0.274 693 E C -0.562 176.018 176.600 -0.033 0.000 1.022 693 E CA -0.814 55.547 56.400 -0.066 0.000 0.853 693 E CB 1.153 30.817 29.700 -0.061 0.000 1.086 693 E HN 0.659 nan 8.360 nan 0.000 0.397 694 I N -1.290 119.270 120.570 -0.017 0.000 2.828 694 I HA 0.502 4.672 4.170 -0.000 0.000 0.302 694 I C -0.983 175.150 176.117 0.027 0.000 1.101 694 I CA -0.825 60.475 61.300 0.000 0.000 1.031 694 I CB 1.768 39.764 38.000 -0.005 0.000 1.231 694 I HN 0.226 nan 8.210 nan 0.000 0.427 695 K N 3.408 123.817 120.400 0.015 0.000 2.385 695 K HA 0.587 4.907 4.320 -0.000 0.000 0.248 695 K C -0.289 176.306 176.600 -0.008 0.000 0.955 695 K CA -0.965 55.334 56.287 0.021 0.000 0.816 695 K CB 2.169 34.675 32.500 0.011 0.000 1.250 695 K HN 0.700 nan 8.250 nan 0.000 0.434 696 K N -1.193 119.195 120.400 -0.020 0.000 9.851 696 K HA -0.312 4.008 4.320 -0.000 0.000 0.510 696 K C 0.548 177.085 176.600 -0.105 0.000 0.393 696 K CA 2.437 58.684 56.287 -0.067 0.000 1.926 696 K CB -1.518 30.948 32.500 -0.056 0.000 0.782 696 K HN 0.900 nan 8.250 nan 0.000 1.104 697 T N -1.895 112.620 114.554 -0.064 0.000 2.901 697 T HA 0.709 5.059 4.350 -0.000 0.000 0.293 697 T C -0.830 173.874 174.700 0.005 0.000 1.084 697 T CA -0.506 61.563 62.100 -0.053 0.000 1.008 697 T CB 2.632 71.470 68.868 -0.050 0.000 1.170 697 T HN 0.221 nan 8.240 nan 0.000 0.509 698 V N 0.306 120.256 119.914 0.060 0.000 2.851 698 V HA 0.776 4.896 4.120 -0.000 0.000 0.307 698 V C -0.589 175.547 176.094 0.071 0.000 1.129 698 V CA -0.697 61.643 62.300 0.066 0.000 0.932 698 V CB 1.632 33.506 31.823 0.085 0.000 1.024 698 V HN 1.516 nan 8.190 nan 0.000 0.426 699 A N 5.338 128.178 122.820 0.034 0.000 2.366 699 A HA 0.681 5.001 4.320 -0.000 0.000 0.272 699 A C -0.475 177.114 177.584 0.008 0.000 1.135 699 A CA -0.251 51.801 52.037 0.024 0.000 0.804 699 A CB 0.888 19.898 19.000 0.018 0.000 1.064 699 A HN 1.187 nan 8.150 nan 0.000 0.499 700 V N 5.215 125.120 119.914 -0.015 0.000 2.266 700 V HA 0.165 4.285 4.120 -0.000 0.000 0.271 700 V C -0.519 175.572 176.094 -0.006 0.000 1.032 700 V CA -0.878 61.386 62.300 -0.060 0.000 0.806 700 V CB 0.455 32.152 31.823 -0.209 0.000 1.052 700 V HN 0.828 nan 8.190 nan 0.000 0.449 701 N N 4.584 123.315 118.700 0.051 0.000 2.437 701 N HA 0.493 5.233 4.740 -0.000 0.000 0.243 701 N C 0.733 176.322 175.510 0.132 0.000 1.041 701 N CA 0.725 53.827 53.050 0.087 0.000 0.940 701 N CB 1.743 40.260 38.487 0.050 0.000 1.133 701 N HN 0.903 nan 8.380 nan 0.000 0.506 702 G N 1.635 110.555 108.800 0.200 0.000 2.752 702 G HA2 -0.271 3.689 3.960 -0.000 0.000 0.234 702 G HA3 -0.271 3.689 3.960 -0.000 0.000 0.234 702 G C -0.156 174.793 174.900 0.082 0.000 1.367 702 G CA -0.760 44.400 45.100 0.100 0.000 0.879 702 G HN 0.570 nan 8.290 nan 0.000 0.563 703 I N 2.169 122.700 120.570 -0.064 0.000 2.587 703 I HA 0.455 4.625 4.170 -0.000 0.000 0.284 703 I C 1.311 177.438 176.117 0.017 0.000 1.134 703 I CA 1.536 62.792 61.300 -0.073 0.000 1.410 703 I CB -0.118 37.820 38.000 -0.103 0.000 1.392 703 I HN 1.402 nan 8.210 nan 0.000 0.545 704 G N 4.158 113.007 108.800 0.082 0.000 2.333 704 G HA2 0.276 4.236 3.960 -0.000 0.000 0.288 704 G HA3 0.276 4.236 3.960 -0.000 0.000 0.288 704 G C -1.265 173.741 174.900 0.177 0.000 1.286 704 G CA -0.691 44.470 45.100 0.101 0.000 0.865 704 G HN 0.401 nan 8.290 nan 0.000 0.506 705 T N -0.113 114.534 114.554 0.155 0.000 2.861 705 T HA 0.639 4.989 4.350 -0.000 0.000 0.287 705 T C -0.661 174.027 174.700 -0.020 0.000 1.003 705 T CA -0.393 61.779 62.100 0.121 0.000 0.977 705 T CB 1.921 70.932 68.868 0.238 0.000 0.996 705 T HN 0.687 nan 8.240 nan 0.000 0.448 706 V N 4.352 124.197 119.914 -0.115 0.000 2.459 706 V HA 0.577 4.697 4.120 -0.000 0.000 0.295 706 V C -0.439 175.537 176.094 -0.195 0.000 1.029 706 V CA -0.748 61.463 62.300 -0.148 0.000 0.874 706 V CB 1.466 33.192 31.823 -0.161 0.000 0.985 706 V HN 0.763 nan 8.190 nan 0.000 0.438 707 I N 6.016 126.494 120.570 -0.154 0.000 2.466 707 I HA 0.522 4.692 4.170 -0.000 0.000 0.289 707 I C -0.833 175.245 176.117 -0.064 0.000 1.026 707 I CA -0.398 60.840 61.300 -0.103 0.000 1.078 707 I CB 1.810 39.789 38.000 -0.036 0.000 1.249 707 I HN 0.330 nan 8.210 nan 0.000 0.429 708 L N 6.737 127.923 121.223 -0.062 0.000 2.341 708 L HA 0.641 4.981 4.340 -0.000 0.000 0.267 708 L C -1.166 175.739 176.870 0.059 0.000 1.009 708 L CA -0.971 53.834 54.840 -0.058 0.000 0.819 708 L CB 2.011 44.004 42.059 -0.111 0.000 1.323 708 L HN 0.524 nan 8.230 nan 0.000 0.425 709 Y N 0.470 120.723 120.300 -0.078 0.000 2.581 709 Y HA 0.693 5.243 4.550 -0.000 0.000 0.337 709 Y C -1.907 173.787 175.900 -0.344 0.000 1.108 709 Y CA -1.294 56.641 58.100 -0.275 0.000 1.033 709 Y CB 1.384 39.211 38.460 -1.056 0.000 1.318 709 Y HN 0.409 nan 8.280 nan 0.000 0.459 710 L N 3.693 124.837 121.223 -0.130 0.000 2.319 710 L HA 0.850 5.190 4.340 -0.000 0.000 0.281 710 L C 0.312 177.177 176.870 -0.008 0.000 1.005 710 L CA -0.820 53.850 54.840 -0.282 0.000 0.828 710 L CB 1.371 43.180 42.059 -0.417 0.000 1.227 710 L HN 1.115 nan 8.230 nan 0.000 0.415 711 A N 3.178 126.020 122.820 0.037 0.000 2.261 711 A HA 0.339 4.659 4.320 -0.000 0.000 0.275 711 A C 0.806 178.496 177.584 0.176 0.000 1.246 711 A CA 0.333 52.495 52.037 0.208 0.000 0.810 711 A CB 0.042 19.165 19.000 0.204 0.000 1.168 711 A HN 0.866 nan 8.150 nan 0.000 0.506 712 S N 0.000 115.820 115.700 0.200 0.000 2.498 712 S HA 0.000 4.470 4.470 -0.000 0.000 0.327 712 S CA 0.000 58.279 58.200 0.132 0.000 1.107 712 S CB 0.000 63.266 63.200 0.109 0.000 0.593 712 S HN 0.000 nan 8.310 nan 0.000 0.517