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 1ogy_1_G DATA FIRST_RESID 12 DATA SEQUENCE IRWSKAPCRF CGTGCGVMVG TRDGQVVATH GDTQAEVNRG LNCVKGYFLS DATA SEQUENCE KIMYGEDRLT TPLLRMKDGV YHKEGEFAPV SWDEAFDVMA AQAKLVLKEK DATA SEQUENCE APEAVGMFGS GQWTIWEGYA ASKLMRAGFR SNNLDPNARH CMASAATAFM DATA SEQUENCE RTFGMDEPMG CYDDFEAADA FVLWGSNMAE MHPILWSRLT DRRLSHEHVR DATA SEQUENCE VAVLSTFTHR SSDLSDTPII FRPGTDRAIL NYIAHHIIST GRVNRDFVDR DATA SEQUENCE HTNFALGATD IGYGLRPEHQ LQLAAKGAAD AGAMTPTDFE TFAALVSEYT DATA SEQUENCE LEKAAEISGV EPALLEELAE LYADPDRKWM SLWTMGFNQH VRGVWANHMV DATA SEQUENCE YNLHLLTGKI SEPGNSPFSL TGQPFACGTA REVGTFAHRL PADMVVTNPE DATA SEQUENCE HRAHAEEIWK LPAGLLPDWV GAHAVEQDRK LHDGEINFYW VQVNNNMQAA DATA SEQUENCE PNIDQETYPG YRNPENFIVV SDAYPTVTGR AADLVLPAAM WVEKEGAYGN DATA SEQUENCE AERRTHFWHQ LVEAPGEARS DLWQLMEFSK RFTTDEVWPE EILSAAPAYR DATA SEQUENCE GKTLFEVLFA NGSVDRFPAS DVNPDHANHE AALFGFYPQK GLFEEYAAFG DATA SEQUENCE RGHGHDLAPF DTYHEVRGLH WPVVEGEETR WRYREGFDPY VKPGEGLRFY DATA SEQUENCE GKPDGRAVIL GVPYEPPAES PDEEFGFWLV TGRVLEHWHS GSMTLRWPEL DATA SEQUENCE YKAFPGAVCF MHPEDARSRG LNRGSEVRVI SRRGEIRTRL ETRGRNRMPR DATA SEQUENCE GVVFVPWFDA SQLINKVTLD ANDPISRQTD FKKCAVKIEA 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 12 I HA 0.000 nan 4.170 nan 0.000 0.288 12 I C 0.000 175.918 176.117 -0.331 0.000 1.063 12 I CA 0.000 61.158 61.300 -0.237 0.000 1.566 12 I CB 0.000 37.913 38.000 -0.145 0.000 1.214 13 R N 1.382 121.614 120.500 -0.447 0.000 2.310 13 R HA 0.359 4.698 4.340 -0.001 0.000 0.324 13 R C -1.820 174.209 176.300 -0.452 0.000 0.955 13 R CA -0.422 55.478 56.100 -0.334 0.000 0.830 13 R CB 1.051 31.237 30.300 -0.190 0.000 1.154 13 R HN 0.028 nan 8.270 nan 0.000 0.458 14 W N 1.865 123.150 121.300 -0.026 0.000 2.335 14 W HA 0.361 5.020 4.660 -0.001 0.000 0.307 14 W C 0.095 176.623 176.519 0.016 0.000 1.117 14 W CA -0.325 57.008 57.345 -0.020 0.000 1.228 14 W CB 1.602 31.047 29.460 -0.026 0.000 1.240 14 W HN 0.303 nan 8.180 nan 0.000 0.468 15 S N 2.487 118.309 115.700 0.203 0.000 2.513 15 S HA 0.350 4.820 4.470 -0.001 0.000 0.299 15 S C -0.391 174.294 174.600 0.142 0.000 1.087 15 S CA -1.048 57.255 58.200 0.171 0.000 1.012 15 S CB 1.403 64.690 63.200 0.146 0.000 1.044 15 S HN 0.426 nan 8.310 nan 0.000 0.485 16 K N 1.685 122.166 120.400 0.135 0.000 2.326 16 K HA 0.565 4.885 4.320 -0.001 0.000 0.275 16 K C -0.662 175.975 176.600 0.062 0.000 1.018 16 K CA -0.100 56.248 56.287 0.100 0.000 0.962 16 K CB 0.317 32.885 32.500 0.113 0.000 0.953 16 K HN 0.691 nan 8.250 nan 0.000 0.475 17 A N 4.801 127.630 122.820 0.015 0.000 2.583 17 A HA 0.389 4.709 4.320 -0.001 0.000 0.298 17 A C -2.954 174.578 177.584 -0.088 0.000 1.055 17 A CA -1.249 50.746 52.037 -0.069 0.000 0.714 17 A CB 1.503 20.329 19.000 -0.290 0.000 1.277 17 A HN 0.604 nan 8.150 nan 0.000 0.406 18 P HA 0.351 nan 4.420 nan 0.000 0.285 18 P C 0.373 177.610 177.300 -0.104 0.000 1.259 18 P CA -0.228 62.729 63.100 -0.238 0.000 0.794 18 P CB 1.142 32.563 31.700 -0.465 0.000 0.940 19 C N 4.602 123.826 119.300 -0.128 0.000 2.378 19 C HA -0.031 4.429 4.460 -0.001 0.000 0.395 19 C C 2.192 176.946 174.990 -0.393 0.000 1.476 19 C CA 0.132 59.000 59.018 -0.250 0.000 1.541 19 C CB -1.205 26.412 27.740 -0.205 0.000 2.524 19 C HN 0.676 nan 8.230 nan 0.000 0.595 20 R N 3.332 123.297 120.500 -0.892 0.000 2.328 20 R HA 0.230 4.569 4.340 -0.001 0.000 0.200 20 R C 0.194 175.815 176.300 -1.133 0.000 0.983 20 R CA 1.078 56.560 56.100 -1.030 0.000 1.062 20 R CB -0.401 28.849 30.300 -1.750 0.000 0.956 20 R HN 0.828 nan 8.270 nan 0.000 0.479 21 F N -2.158 117.287 119.950 -0.842 0.000 2.929 21 F HA 0.235 4.761 4.527 -0.001 0.000 0.150 21 F C 0.872 176.184 175.800 -0.814 0.000 1.482 21 F CA -0.932 56.244 58.000 -1.374 0.000 0.962 21 F CB -0.776 37.589 39.000 -1.059 0.000 2.000 21 F HN -0.269 nan 8.300 nan 0.000 0.408 22 C N 2.298 121.542 119.300 -0.093 0.000 2.262 22 C HA -0.043 4.416 4.460 -0.001 0.000 0.387 22 C C 2.010 177.047 174.990 0.080 0.000 1.466 22 C CA 0.603 59.684 59.018 0.105 0.000 1.530 22 C CB -0.627 27.092 27.740 -0.036 0.000 2.563 22 C HN 0.844 nan 8.230 nan 0.000 0.572 23 G N 3.948 112.839 108.800 0.151 0.000 2.776 23 G HA2 -0.038 3.921 3.960 -0.001 0.000 0.209 23 G HA3 -0.038 3.921 3.960 -0.001 0.000 0.209 23 G C 1.266 176.360 174.900 0.324 0.000 1.145 23 G CA 1.040 46.287 45.100 0.245 0.000 0.791 23 G HN 0.869 nan 8.290 nan 0.000 0.530 24 T N 0.588 115.291 114.554 0.250 0.000 2.674 24 T HA 0.169 4.519 4.350 -0.001 0.000 0.265 24 T C 1.861 176.769 174.700 0.347 0.000 1.039 24 T CA 1.866 64.141 62.100 0.292 0.000 1.150 24 T CB -0.385 68.533 68.868 0.082 0.000 0.864 24 T HN 1.118 nan 8.240 nan 0.000 0.427 25 G N 0.533 109.470 108.800 0.227 0.000 2.270 25 G HA2 -0.205 3.755 3.960 -0.001 0.000 0.224 25 G HA3 -0.205 3.755 3.960 -0.001 0.000 0.224 25 G C 0.156 175.170 174.900 0.190 0.000 1.079 25 G CA -0.368 44.906 45.100 0.290 0.000 0.807 25 G HN 0.680 nan 8.290 nan 0.000 0.492 26 C N 0.177 119.509 119.300 0.053 0.000 2.689 26 C HA 0.640 5.099 4.460 -0.001 0.000 0.409 26 C C 1.587 176.543 174.990 -0.058 0.000 1.293 26 C CA 0.207 59.221 59.018 -0.007 0.000 2.136 26 C CB 0.595 28.293 27.740 -0.071 0.000 2.719 26 C HN 1.076 nan 8.230 nan 0.000 0.644 27 G N 0.845 109.617 108.800 -0.046 0.000 2.356 27 G HA2 0.536 4.495 3.960 -0.001 0.000 0.298 27 G HA3 0.536 4.495 3.960 -0.001 0.000 0.298 27 G C -0.792 174.087 174.900 -0.034 0.000 1.145 27 G CA -0.099 44.967 45.100 -0.056 0.000 0.850 27 G HN 0.668 nan 8.290 nan 0.000 0.487 28 V N 3.628 123.536 119.914 -0.009 0.000 2.864 28 V HA 0.519 4.638 4.120 -0.001 0.000 0.314 28 V C -0.118 176.029 176.094 0.089 0.000 1.073 28 V CA -0.872 61.455 62.300 0.045 0.000 0.956 28 V CB 2.173 34.047 31.823 0.085 0.000 1.023 28 V HN 0.674 nan 8.190 nan 0.000 0.435 29 M N 3.623 123.312 119.600 0.148 0.000 2.043 29 M HA 0.395 4.875 4.480 -0.001 0.000 0.322 29 M C -0.935 175.568 176.300 0.338 0.000 0.962 29 M CA -0.461 54.965 55.300 0.210 0.000 0.927 29 M CB 1.459 34.154 32.600 0.159 0.000 1.466 29 M HN 0.352 nan 8.290 nan 0.000 0.412 30 V N 2.847 122.891 119.914 0.216 0.000 2.488 30 V HA 0.382 4.501 4.120 -0.001 0.000 0.277 30 V C 0.978 177.071 176.094 -0.001 0.000 1.046 30 V CA -0.512 61.859 62.300 0.118 0.000 0.986 30 V CB 0.918 32.696 31.823 -0.074 0.000 0.989 30 V HN 0.947 nan 8.190 nan 0.000 0.475 31 G N 2.927 111.583 108.800 -0.239 0.000 2.325 31 G HA2 0.515 4.475 3.960 -0.001 0.000 0.298 31 G HA3 0.515 4.475 3.960 -0.001 0.000 0.298 31 G C -0.305 174.299 174.900 -0.495 0.000 1.134 31 G CA -0.157 44.389 45.100 -0.923 0.000 0.876 31 G HN 0.615 nan 8.290 nan 0.000 0.452 32 T N 1.963 116.226 114.554 -0.484 0.000 2.848 32 T HA 0.639 4.988 4.350 -0.001 0.000 0.285 32 T C -0.340 174.209 174.700 -0.253 0.000 0.995 32 T CA -0.547 61.389 62.100 -0.273 0.000 0.970 32 T CB 1.363 70.119 68.868 -0.186 0.000 0.976 32 T HN 0.576 nan 8.240 nan 0.000 0.441 33 R N 2.665 123.059 120.500 -0.176 0.000 2.548 33 R HA 0.308 4.647 4.340 -0.001 0.000 0.280 33 R C -1.213 175.024 176.300 -0.105 0.000 1.061 33 R CA -0.369 55.643 56.100 -0.147 0.000 0.915 33 R CB 0.975 31.187 30.300 -0.147 0.000 1.210 33 R HN 0.788 nan 8.270 nan 0.000 0.442 34 D N 2.751 123.097 120.400 -0.091 0.000 2.689 34 D HA -0.177 4.463 4.640 -0.001 0.000 0.237 34 D C 0.719 176.982 176.300 -0.061 0.000 1.148 34 D CA 2.118 56.075 54.000 -0.072 0.000 0.656 34 D CB -0.598 40.161 40.800 -0.067 0.000 1.050 34 D HN 1.029 nan 8.370 nan 0.000 0.426 35 G N -0.574 108.190 108.800 -0.060 0.000 2.179 35 G HA2 -0.339 3.620 3.960 -0.001 0.000 0.257 35 G HA3 -0.339 3.620 3.960 -0.001 0.000 0.257 35 G C 0.051 174.948 174.900 -0.006 0.000 1.010 35 G CA 0.619 45.697 45.100 -0.037 0.000 0.736 35 G HN 0.480 nan 8.290 nan 0.000 0.513 36 Q N -0.873 118.912 119.800 -0.025 0.000 2.372 36 Q HA 0.534 4.874 4.340 -0.001 0.000 0.273 36 Q C -0.362 175.643 176.000 0.009 0.000 1.078 36 Q CA -0.811 54.993 55.803 0.002 0.000 0.806 36 Q CB 2.794 31.471 28.738 -0.102 0.000 1.332 36 Q HN 0.157 nan 8.270 nan 0.000 0.435 37 V N 2.765 122.766 119.914 0.146 0.000 2.408 37 V HA 0.078 4.197 4.120 -0.001 0.000 0.267 37 V C 1.039 177.176 176.094 0.071 0.000 1.047 37 V CA 0.048 62.418 62.300 0.117 0.000 0.937 37 V CB 0.858 32.840 31.823 0.264 0.000 0.999 37 V HN 0.710 nan 8.190 nan 0.000 0.472 38 V N 1.990 121.880 119.914 -0.039 0.000 3.528 38 V HA 0.831 4.951 4.120 -0.001 0.000 0.294 38 V C 0.442 176.535 176.094 -0.003 0.000 1.404 38 V CA 0.504 62.780 62.300 -0.041 0.000 1.065 38 V CB 0.097 31.862 31.823 -0.098 0.000 0.904 38 V HN 0.888 nan 8.190 nan 0.000 0.435 39 A N -0.757 122.063 122.820 -0.000 0.000 2.605 39 A HA 0.759 5.078 4.320 -0.001 0.000 0.294 39 A C -0.549 177.143 177.584 0.181 0.000 1.062 39 A CA -0.140 51.953 52.037 0.093 0.000 0.682 39 A CB 1.544 20.563 19.000 0.032 0.000 1.278 39 A HN 0.146 nan 8.150 nan 0.000 0.410 40 T N 2.142 116.893 114.554 0.329 0.000 3.078 40 T HA 0.485 4.835 4.350 -0.001 0.000 0.328 40 T C -0.746 174.267 174.700 0.521 0.000 0.987 40 T CA -0.139 62.175 62.100 0.357 0.000 1.049 40 T CB 0.045 69.076 68.868 0.271 0.000 1.011 40 T HN 0.666 nan 8.240 nan 0.000 0.463 41 H N 0.479 119.709 119.070 0.266 0.000 2.693 41 H HA 0.678 5.234 4.556 -0.001 0.000 0.348 41 H C 0.723 176.098 175.328 0.077 0.000 1.222 41 H CA -1.418 54.725 56.048 0.159 0.000 1.270 41 H CB 1.436 31.185 29.762 -0.021 0.000 1.798 41 H HN 0.678 nan 8.280 nan 0.000 0.592 42 G N 0.212 109.118 108.800 0.177 0.000 2.372 42 G HA2 0.018 3.977 3.960 -0.001 0.000 0.283 42 G HA3 0.018 3.977 3.960 -0.001 0.000 0.283 42 G C -0.543 174.372 174.900 0.025 0.000 1.177 42 G CA -0.343 44.782 45.100 0.041 0.000 0.842 42 G HN 0.547 nan 8.290 nan 0.000 0.503 43 D N 1.646 122.050 120.400 0.006 0.000 2.374 43 D HA 0.098 4.738 4.640 -0.001 0.000 0.240 43 D C 1.913 178.209 176.300 -0.007 0.000 1.229 43 D CA -0.144 53.858 54.000 0.004 0.000 0.895 43 D CB 0.785 41.592 40.800 0.011 0.000 1.046 43 D HN 0.334 nan 8.370 nan 0.000 0.498 44 T N 0.882 115.427 114.554 -0.016 0.000 3.113 44 T HA -0.109 4.241 4.350 -0.001 0.000 0.263 44 T C 1.188 175.884 174.700 -0.006 0.000 1.143 44 T CA 0.649 62.739 62.100 -0.016 0.000 1.090 44 T CB 0.145 68.997 68.868 -0.027 0.000 0.922 44 T HN 0.228 nan 8.240 nan 0.000 0.521 45 Q N 0.606 120.406 119.800 0.001 0.000 2.319 45 Q HA 0.470 4.810 4.340 -0.001 0.000 0.202 45 Q C 0.678 176.688 176.000 0.017 0.000 0.896 45 Q CA 0.037 55.846 55.803 0.010 0.000 0.942 45 Q CB 0.500 29.247 28.738 0.014 0.000 1.083 45 Q HN 0.728 nan 8.270 nan 0.000 0.510 46 A N 0.902 123.732 122.820 0.016 0.000 2.328 46 A HA 0.182 4.501 4.320 -0.001 0.000 0.284 46 A C 1.074 178.675 177.584 0.028 0.000 1.160 46 A CA -0.307 51.744 52.037 0.025 0.000 0.818 46 A CB 0.694 19.707 19.000 0.022 0.000 1.087 46 A HN -0.036 nan 8.150 nan 0.000 0.504 47 E N 1.748 121.967 120.200 0.031 0.000 2.106 47 E HA -0.124 4.225 4.350 -0.001 0.000 0.192 47 E C 2.033 178.677 176.600 0.074 0.000 0.984 47 E CA 1.252 57.676 56.400 0.041 0.000 0.806 47 E CB -0.107 29.604 29.700 0.018 0.000 0.750 47 E HN 0.587 nan 8.360 nan 0.000 0.458 48 V N 3.120 123.095 119.914 0.101 0.000 2.214 48 V HA -0.326 3.793 4.120 -0.001 0.000 0.247 48 V C 2.151 178.277 176.094 0.053 0.000 1.051 48 V CA 2.368 64.766 62.300 0.163 0.000 1.003 48 V CB -0.717 31.235 31.823 0.215 0.000 0.635 48 V HN 0.384 nan 8.190 nan 0.000 0.447 49 N N -0.457 118.251 118.700 0.013 0.000 2.387 49 N HA -0.083 4.657 4.740 -0.001 0.000 0.176 49 N C 0.553 176.043 175.510 -0.032 0.000 1.022 49 N CA 0.230 53.257 53.050 -0.038 0.000 0.883 49 N CB -0.083 38.368 38.487 -0.060 0.000 1.019 49 N HN 0.428 nan 8.380 nan 0.000 0.435 50 R N 0.657 121.149 120.500 -0.014 0.000 3.144 50 R HA -0.113 4.226 4.340 -0.001 0.000 0.255 50 R C 0.682 176.969 176.300 -0.021 0.000 0.949 50 R CA 0.610 56.703 56.100 -0.012 0.000 0.649 50 R CB -2.239 28.055 30.300 -0.009 0.000 1.229 50 R HN 0.720 nan 8.270 nan 0.000 0.440 51 G N -1.009 107.779 108.800 -0.021 0.000 2.184 51 G HA2 -0.326 3.634 3.960 -0.001 0.000 0.264 51 G HA3 -0.326 3.634 3.960 -0.001 0.000 0.264 51 G C -0.146 174.753 174.900 -0.002 0.000 0.975 51 G CA 0.347 45.439 45.100 -0.014 0.000 0.642 51 G HN 0.242 nan 8.290 nan 0.000 0.536 52 L N 0.751 121.954 121.223 -0.033 0.000 2.346 52 L HA 0.638 4.978 4.340 -0.001 0.000 0.276 52 L C 0.200 176.972 176.870 -0.164 0.000 1.006 52 L CA -0.743 54.076 54.840 -0.035 0.000 0.817 52 L CB 1.705 43.742 42.059 -0.036 0.000 1.272 52 L HN 0.355 nan 8.230 nan 0.000 0.421 53 N N 0.675 119.157 118.700 -0.363 0.000 3.167 53 N HA 0.786 5.525 4.740 -0.001 0.000 0.323 53 N C -1.127 174.126 175.510 -0.429 0.000 1.478 53 N CA -0.860 51.838 53.050 -0.586 0.000 0.753 53 N CB 1.891 39.710 38.487 -1.113 0.000 1.721 53 N HN 0.674 nan 8.380 nan 0.000 0.618 54 C N -1.751 117.345 119.300 -0.340 0.000 3.017 54 C HA 0.531 4.991 4.460 -0.001 0.000 0.380 54 C C 2.018 177.010 174.990 0.004 0.000 1.583 54 C CA -0.702 58.263 59.018 -0.089 0.000 1.616 54 C CB -0.153 27.540 27.740 -0.079 0.000 2.145 54 C HN 0.587 nan 8.230 nan 0.000 0.466 55 V N 1.348 121.316 119.914 0.090 0.000 2.231 55 V HA -0.249 3.870 4.120 -0.001 0.000 0.250 55 V C 2.600 178.816 176.094 0.203 0.000 1.058 55 V CA 2.548 64.963 62.300 0.192 0.000 1.022 55 V CB -1.392 30.525 31.823 0.156 0.000 0.640 55 V HN 0.939 nan 8.190 nan 0.000 0.445 56 K N 0.882 121.311 120.400 0.049 0.000 2.152 56 K HA -0.113 4.206 4.320 -0.001 0.000 0.206 56 K C 2.278 178.964 176.600 0.144 0.000 1.048 56 K CA 1.473 57.787 56.287 0.044 0.000 0.933 56 K CB -0.675 31.634 32.500 -0.318 0.000 0.721 56 K HN 0.611 nan 8.250 nan 0.000 0.447 57 G N 0.487 109.272 108.800 -0.025 0.000 2.414 57 G HA2 -0.229 3.730 3.960 -0.001 0.000 0.215 57 G HA3 -0.229 3.730 3.960 -0.001 0.000 0.215 57 G C 1.227 176.030 174.900 -0.161 0.000 1.188 57 G CA 0.540 45.547 45.100 -0.155 0.000 0.783 57 G HN 0.270 nan 8.290 nan 0.000 0.537 58 Y N -0.447 119.794 120.300 -0.097 0.000 2.333 58 Y HA 0.030 4.579 4.550 -0.001 0.000 0.290 58 Y C 1.771 177.518 175.900 -0.256 0.000 1.144 58 Y CA 0.514 58.486 58.100 -0.214 0.000 1.228 58 Y CB -0.152 38.068 38.460 -0.400 0.000 0.985 58 Y HN 0.172 nan 8.280 nan 0.000 0.542 59 F N -0.763 119.287 119.950 0.167 0.000 2.663 59 F HA 0.108 4.635 4.527 -0.001 0.000 0.299 59 F C 1.330 177.171 175.800 0.068 0.000 1.143 59 F CA -0.144 57.929 58.000 0.122 0.000 1.387 59 F CB -0.162 38.893 39.000 0.092 0.000 1.019 59 F HN 0.023 nan 8.300 nan 0.000 0.523 60 L N -0.325 120.966 121.223 0.114 0.000 2.201 60 L HA -0.214 4.125 4.340 -0.001 0.000 0.212 60 L C 2.629 179.547 176.870 0.079 0.000 1.105 60 L CA 1.281 56.051 54.840 -0.117 0.000 0.775 60 L CB -0.560 41.276 42.059 -0.372 0.000 0.913 60 L HN 0.300 nan 8.230 nan 0.000 0.440 61 S N -0.131 115.705 115.700 0.227 0.000 2.402 61 S HA -0.224 4.245 4.470 -0.001 0.000 0.233 61 S C 1.662 176.472 174.600 0.350 0.000 1.030 61 S CA 1.077 59.459 58.200 0.303 0.000 1.003 61 S CB -0.307 63.058 63.200 0.275 0.000 0.813 61 S HN 0.466 nan 8.310 nan 0.000 0.477 62 K N 0.232 120.817 120.400 0.308 0.000 2.387 62 K HA 0.398 4.718 4.320 -0.001 0.000 0.198 62 K C 1.312 178.038 176.600 0.210 0.000 1.022 62 K CA -0.051 56.419 56.287 0.303 0.000 1.128 62 K CB -0.024 32.621 32.500 0.240 0.000 0.853 62 K HN 0.404 nan 8.250 nan 0.000 0.523 63 I N 1.192 121.831 120.570 0.115 0.000 2.406 63 I HA -0.165 4.005 4.170 -0.001 0.000 0.249 63 I C 1.922 178.083 176.117 0.074 0.000 1.122 63 I CA 1.199 62.531 61.300 0.053 0.000 1.431 63 I CB 0.085 38.020 38.000 -0.108 0.000 1.087 63 I HN 0.183 nan 8.210 nan 0.000 0.424 64 M N -1.100 118.410 119.600 -0.149 0.000 2.561 64 M HA 0.021 4.500 4.480 -0.001 0.000 0.238 64 M C 0.525 176.634 176.300 -0.318 0.000 1.131 64 M CA 0.866 55.986 55.300 -0.299 0.000 1.046 64 M CB -0.194 32.078 32.600 -0.547 0.000 1.532 64 M HN 0.189 nan 8.290 nan 0.000 0.497 65 Y N 0.623 121.044 120.300 0.202 0.000 2.636 65 Y HA 0.388 4.937 4.550 -0.001 0.000 0.260 65 Y C 1.576 177.566 175.900 0.151 0.000 1.177 65 Y CA -0.985 57.206 58.100 0.152 0.000 1.209 65 Y CB 0.156 38.676 38.460 0.099 0.000 1.166 65 Y HN 0.182 nan 8.280 nan 0.000 0.531 66 G N 1.244 110.236 108.800 0.320 0.000 2.554 66 G HA2 -0.023 3.936 3.960 -0.001 0.000 0.238 66 G HA3 -0.023 3.936 3.960 -0.001 0.000 0.238 66 G C 0.782 175.813 174.900 0.220 0.000 1.259 66 G CA -0.300 44.895 45.100 0.158 0.000 0.843 66 G HN 0.646 nan 8.290 nan 0.000 0.582 67 E N 0.354 120.624 120.200 0.117 0.000 2.516 67 E HA -0.065 4.284 4.350 -0.001 0.000 0.199 67 E C 0.369 177.037 176.600 0.114 0.000 1.069 67 E CA 0.698 57.161 56.400 0.106 0.000 0.876 67 E CB 0.190 29.923 29.700 0.055 0.000 0.843 67 E HN 0.382 nan 8.360 nan 0.000 0.530 68 D N 1.044 121.541 120.400 0.161 0.000 2.213 68 D HA -0.021 4.618 4.640 -0.001 0.000 0.205 68 D C 0.253 176.668 176.300 0.192 0.000 0.961 68 D CA 0.238 54.341 54.000 0.170 0.000 0.853 68 D CB -0.049 40.870 40.800 0.198 0.000 0.967 68 D HN -0.033 nan 8.370 nan 0.000 0.496 69 R N 1.330 121.982 120.500 0.253 0.000 3.651 69 R HA -0.143 4.197 4.340 -0.001 0.000 0.201 69 R C 0.045 176.334 176.300 -0.018 0.000 0.627 69 R CA 0.252 56.347 56.100 -0.007 0.000 0.952 69 R CB -0.936 29.348 30.300 -0.027 0.000 1.005 69 R HN 0.286 nan 8.270 nan 0.000 0.327 70 L N 3.129 124.317 121.223 -0.057 0.000 2.490 70 L HA -0.018 4.321 4.340 -0.001 0.000 0.274 70 L C 1.717 178.556 176.870 -0.052 0.000 1.201 70 L CA 0.601 55.410 54.840 -0.051 0.000 0.869 70 L CB 0.281 42.304 42.059 -0.060 0.000 1.123 70 L HN 0.699 nan 8.230 nan 0.000 0.484 71 T N -2.921 111.601 114.554 -0.054 0.000 2.975 71 T HA 0.155 4.504 4.350 -0.001 0.000 0.261 71 T C 0.493 175.142 174.700 -0.086 0.000 0.984 71 T CA -0.109 61.963 62.100 -0.046 0.000 0.911 71 T CB 0.474 69.325 68.868 -0.028 0.000 1.127 71 T HN 0.547 nan 8.240 nan 0.000 0.514 72 T N 3.098 117.568 114.554 -0.140 0.000 2.912 72 T HA 0.557 4.906 4.350 -0.001 0.000 0.299 72 T C -3.104 171.406 174.700 -0.316 0.000 1.052 72 T CA -1.455 60.504 62.100 -0.234 0.000 0.996 72 T CB 2.321 71.096 68.868 -0.155 0.000 1.070 72 T HN -0.174 nan 8.240 nan 0.000 0.465 73 P HA 0.304 nan 4.420 nan 0.000 0.269 73 P C -1.182 175.981 177.300 -0.229 0.000 1.209 73 P CA -0.549 62.262 63.100 -0.482 0.000 0.776 73 P CB 0.389 31.646 31.700 -0.738 0.000 0.876 74 L N 3.583 124.732 121.223 -0.123 0.000 2.372 74 L HA 0.403 4.742 4.340 -0.001 0.000 0.273 74 L C -0.311 176.710 176.870 0.253 0.000 0.989 74 L CA -0.559 54.306 54.840 0.042 0.000 0.841 74 L CB 0.603 42.630 42.059 -0.053 0.000 1.225 74 L HN 0.289 nan 8.230 nan 0.000 0.414 75 L N 3.711 125.066 121.223 0.220 0.000 2.352 75 L HA 0.533 4.872 4.340 -0.001 0.000 0.269 75 L C 0.607 177.594 176.870 0.195 0.000 1.034 75 L CA -0.208 54.754 54.840 0.203 0.000 0.806 75 L CB 1.018 43.143 42.059 0.110 0.000 1.244 75 L HN 0.467 nan 8.230 nan 0.000 0.447 76 R N 5.569 126.135 120.500 0.110 0.000 2.893 76 R HA 0.398 4.737 4.340 -0.001 0.000 0.243 76 R C -1.201 175.187 176.300 0.147 0.000 1.481 76 R CA -0.063 56.006 56.100 -0.051 0.000 1.250 76 R CB -0.351 29.875 30.300 -0.124 0.000 1.213 76 R HN 0.735 nan 8.270 nan 0.000 0.609 77 M N 1.476 121.135 119.600 0.098 0.000 4.045 77 M HA -0.199 4.281 4.480 -0.001 0.000 0.157 77 M C 0.711 177.087 176.300 0.127 0.000 1.532 77 M CA 0.112 55.474 55.300 0.102 0.000 1.096 77 M CB -0.153 32.505 32.600 0.096 0.000 1.346 77 M HN 0.476 nan 8.290 nan 0.000 0.192 78 K N 2.192 122.647 120.400 0.091 0.000 1.965 78 K HA -0.062 4.258 4.320 -0.001 0.000 0.214 78 K C 0.127 176.773 176.600 0.077 0.000 1.046 78 K CA 1.838 58.172 56.287 0.079 0.000 0.944 78 K CB 0.302 32.837 32.500 0.059 0.000 0.726 78 K HN 0.606 nan 8.250 nan 0.000 0.441 79 D N -3.048 117.389 120.400 0.062 0.000 2.433 79 D HA 0.454 5.093 4.640 -0.001 0.000 0.236 79 D C -0.297 176.031 176.300 0.047 0.000 1.026 79 D CA 0.588 54.620 54.000 0.054 0.000 0.884 79 D CB 1.995 42.819 40.800 0.040 0.000 1.384 79 D HN 0.436 nan 8.370 nan 0.000 0.477 80 G N -0.320 108.506 108.800 0.043 0.000 2.229 80 G HA2 -0.129 3.830 3.960 -0.001 0.000 0.189 80 G HA3 -0.129 3.830 3.960 -0.001 0.000 0.189 80 G C 0.706 175.634 174.900 0.046 0.000 1.000 80 G CA 0.217 45.334 45.100 0.028 0.000 0.663 80 G HN 1.001 nan 8.290 nan 0.000 0.493 81 V N -2.233 117.727 119.914 0.076 0.000 0.654 81 V HA 0.010 4.129 4.120 -0.001 0.000 0.092 81 V C -0.255 175.966 176.094 0.211 0.000 1.282 81 V CA 2.044 64.413 62.300 0.115 0.000 3.216 81 V CB -1.120 30.758 31.823 0.092 0.000 0.449 81 V HN 2.375 nan 8.190 nan 0.000 0.442 82 Y N 1.524 121.867 120.300 0.072 0.000 2.189 82 Y HA 0.607 5.157 4.550 -0.001 0.000 0.318 82 Y C -1.359 174.613 175.900 0.121 0.000 1.382 82 Y CA -0.065 58.086 58.100 0.085 0.000 1.442 82 Y CB 0.262 38.773 38.460 0.085 0.000 1.276 82 Y HN 0.722 nan 8.280 nan 0.000 0.413 83 H N 6.307 124.978 119.070 -0.666 0.000 2.840 83 H HA 0.353 4.909 4.556 -0.001 0.000 0.340 83 H C -1.224 173.754 175.328 -0.582 0.000 1.004 83 H CA -0.841 54.822 56.048 -0.641 0.000 1.288 83 H CB 1.879 31.474 29.762 -0.279 0.000 1.607 83 H HN 0.852 nan 8.280 nan 0.000 0.522 84 K N 4.010 123.882 120.400 -0.879 0.000 2.336 84 K HA 0.029 4.349 4.320 -0.001 0.000 0.290 84 K C -0.095 176.318 176.600 -0.313 0.000 1.067 84 K CA 0.604 56.646 56.287 -0.408 0.000 0.962 84 K CB 0.159 32.507 32.500 -0.253 0.000 1.008 84 K HN 0.902 nan 8.250 nan 0.000 0.467 85 E N 1.353 121.505 120.200 -0.080 0.000 4.392 85 E HA -0.084 4.265 4.350 -0.001 0.000 0.379 85 E C 0.082 176.742 176.600 0.099 0.000 0.645 85 E CA 0.167 56.597 56.400 0.051 0.000 1.534 85 E CB -1.130 28.663 29.700 0.154 0.000 1.832 85 E HN 0.886 nan 8.360 nan 0.000 0.328 86 G N 0.487 109.294 108.800 0.012 0.000 2.783 86 G HA2 0.504 4.463 3.960 -0.001 0.000 0.182 86 G HA3 0.504 4.463 3.960 -0.001 0.000 0.182 86 G C 0.183 175.026 174.900 -0.094 0.000 1.516 86 G CA 0.021 45.104 45.100 -0.027 0.000 1.079 86 G HN 0.125 nan 8.290 nan 0.000 0.573 87 E N -1.810 118.326 120.200 -0.106 0.000 2.518 87 E HA 0.638 4.987 4.350 -0.001 0.000 0.241 87 E C -1.674 174.830 176.600 -0.160 0.000 0.899 87 E CA -0.708 55.653 56.400 -0.064 0.000 0.888 87 E CB 1.808 31.515 29.700 0.011 0.000 1.426 87 E HN 0.250 nan 8.360 nan 0.000 0.401 88 F N 0.041 120.025 119.950 0.056 0.000 2.518 88 F HA 0.649 5.176 4.527 -0.001 0.000 0.323 88 F C -0.699 175.122 175.800 0.034 0.000 1.129 88 F CA -0.634 57.395 58.000 0.050 0.000 0.920 88 F CB 2.034 41.057 39.000 0.039 0.000 1.160 88 F HN 0.503 nan 8.300 nan 0.000 0.440 89 A N 5.326 128.298 122.820 0.253 0.000 2.435 89 A HA 0.849 5.168 4.320 -0.001 0.000 0.304 89 A C -2.921 174.718 177.584 0.092 0.000 1.064 89 A CA -2.093 50.026 52.037 0.138 0.000 0.727 89 A CB 1.579 20.637 19.000 0.097 0.000 1.284 89 A HN 0.392 nan 8.150 nan 0.000 0.415 90 P HA 0.351 nan 4.420 nan 0.000 0.269 90 P C -0.755 176.537 177.300 -0.012 0.000 1.217 90 P CA 0.079 63.174 63.100 -0.008 0.000 0.783 90 P CB 0.740 32.435 31.700 -0.009 0.000 0.898 91 V N 0.623 120.501 119.914 -0.061 0.000 3.036 91 V HA 0.244 4.364 4.120 -0.001 0.000 0.280 91 V C -0.325 175.706 176.094 -0.105 0.000 1.497 91 V CA -0.537 61.734 62.300 -0.048 0.000 0.982 91 V CB 1.991 33.801 31.823 -0.022 0.000 1.171 91 V HN 0.686 nan 8.190 nan 0.000 0.444 92 S N 4.250 119.926 115.700 -0.040 0.000 2.580 92 S HA 0.105 4.575 4.470 -0.001 0.000 0.266 92 S C 0.782 175.371 174.600 -0.018 0.000 1.354 92 S CA 1.031 59.223 58.200 -0.013 0.000 1.008 92 S CB 0.527 63.773 63.200 0.077 0.000 0.898 92 S HN 0.746 nan 8.310 nan 0.000 0.555 93 W N 1.252 122.578 121.300 0.042 0.000 2.354 93 W HA -0.083 4.576 4.660 -0.001 0.000 0.315 93 W C 2.371 178.919 176.519 0.049 0.000 1.206 93 W CA 1.241 58.592 57.345 0.011 0.000 1.290 93 W CB -0.341 29.223 29.460 0.173 0.000 1.152 93 W HN 0.760 nan 8.180 nan 0.000 0.489 94 D N 0.163 120.812 120.400 0.415 0.000 2.126 94 D HA -0.223 4.417 4.640 -0.001 0.000 0.190 94 D C 1.777 178.238 176.300 0.269 0.000 1.001 94 D CA 1.978 56.190 54.000 0.353 0.000 0.841 94 D CB -0.530 40.422 40.800 0.253 0.000 0.949 94 D HN 0.364 nan 8.370 nan 0.000 0.446 95 E N 0.768 121.073 120.200 0.174 0.000 2.049 95 E HA -0.201 4.149 4.350 -0.001 0.000 0.198 95 E C 2.200 178.876 176.600 0.126 0.000 1.007 95 E CA 1.136 57.609 56.400 0.122 0.000 0.809 95 E CB -0.164 29.580 29.700 0.074 0.000 0.749 95 E HN 0.212 nan 8.360 nan 0.000 0.450 96 A N 1.020 123.884 122.820 0.074 0.000 1.917 96 A HA -0.212 4.108 4.320 -0.001 0.000 0.219 96 A C 1.957 179.645 177.584 0.172 0.000 1.182 96 A CA 1.530 53.582 52.037 0.024 0.000 0.633 96 A CB -0.729 18.172 19.000 -0.165 0.000 0.819 96 A HN 0.171 nan 8.150 nan 0.000 0.448 97 F N 0.398 120.501 119.950 0.255 0.000 2.206 97 F HA -0.052 4.474 4.527 -0.001 0.000 0.298 97 F C 2.032 177.961 175.800 0.214 0.000 1.090 97 F CA 0.906 59.079 58.000 0.288 0.000 1.323 97 F CB -0.798 38.411 39.000 0.349 0.000 1.028 97 F HN 0.217 nan 8.300 nan 0.000 0.492 98 D N 0.086 120.689 120.400 0.337 0.000 2.106 98 D HA -0.167 4.472 4.640 -0.001 0.000 0.191 98 D C 2.533 178.904 176.300 0.119 0.000 0.997 98 D CA 1.502 55.606 54.000 0.173 0.000 0.834 98 D CB -0.620 40.255 40.800 0.124 0.000 0.956 98 D HN 0.076 nan 8.370 nan 0.000 0.448 99 V N 0.681 120.658 119.914 0.105 0.000 2.358 99 V HA -0.180 3.940 4.120 -0.001 0.000 0.246 99 V C 2.395 178.473 176.094 -0.027 0.000 1.047 99 V CA 1.290 63.591 62.300 0.002 0.000 1.035 99 V CB -0.385 31.419 31.823 -0.030 0.000 0.658 99 V HN 0.235 nan 8.190 nan 0.000 0.452 100 M N -0.340 119.361 119.600 0.167 0.000 2.296 100 M HA -0.084 4.395 4.480 -0.001 0.000 0.265 100 M C 2.010 178.601 176.300 0.485 0.000 1.064 100 M CA 1.701 57.192 55.300 0.318 0.000 1.109 100 M CB -0.138 32.649 32.600 0.312 0.000 1.396 100 M HN 0.400 nan 8.290 nan 0.000 0.430 101 A N -0.131 122.945 122.820 0.425 0.000 1.903 101 A HA 0.113 4.432 4.320 -0.001 0.000 0.213 101 A C 2.239 179.841 177.584 0.030 0.000 1.185 101 A CA 1.274 53.486 52.037 0.293 0.000 0.628 101 A CB -0.882 18.106 19.000 -0.020 0.000 0.830 101 A HN 0.545 nan 8.150 nan 0.000 0.446 102 A N -0.619 122.192 122.820 -0.015 0.000 1.865 102 A HA -0.226 4.094 4.320 -0.001 0.000 0.217 102 A C 2.117 179.658 177.584 -0.072 0.000 1.191 102 A CA 1.766 53.763 52.037 -0.067 0.000 0.623 102 A CB -0.617 18.344 19.000 -0.065 0.000 0.826 102 A HN 0.483 nan 8.150 nan 0.000 0.444 103 Q N -0.428 119.301 119.800 -0.118 0.000 2.112 103 Q HA -0.210 4.130 4.340 -0.001 0.000 0.206 103 Q C 2.460 178.471 176.000 0.018 0.000 0.987 103 Q CA 1.725 57.451 55.803 -0.128 0.000 0.858 103 Q CB -0.814 27.623 28.738 -0.502 0.000 0.905 103 Q HN 0.676 nan 8.270 nan 0.000 0.420 104 A N 1.674 124.458 122.820 -0.059 0.000 1.841 104 A HA -0.232 4.088 4.320 -0.001 0.000 0.216 104 A C 2.116 179.571 177.584 -0.214 0.000 1.199 104 A CA 1.852 53.601 52.037 -0.481 0.000 0.621 104 A CB -0.574 18.066 19.000 -0.600 0.000 0.835 104 A HN 0.309 nan 8.150 nan 0.000 0.445 105 K N -0.749 119.614 120.400 -0.062 0.000 2.077 105 K HA -0.252 4.067 4.320 -0.001 0.000 0.213 105 K C 1.945 178.523 176.600 -0.037 0.000 1.051 105 K CA 1.766 58.040 56.287 -0.023 0.000 0.929 105 K CB -0.669 31.797 32.500 -0.057 0.000 0.715 105 K HN 0.491 nan 8.250 nan 0.000 0.451 106 L N 0.956 122.157 121.223 -0.037 0.000 1.943 106 L HA -0.189 4.150 4.340 -0.001 0.000 0.215 106 L C 2.069 178.935 176.870 -0.008 0.000 1.074 106 L CA 1.650 56.479 54.840 -0.018 0.000 0.759 106 L CB -0.846 41.206 42.059 -0.012 0.000 0.888 106 L HN -0.064 nan 8.230 nan 0.000 0.433 107 V N -0.014 119.903 119.914 0.004 0.000 2.370 107 V HA -0.284 3.835 4.120 -0.001 0.000 0.252 107 V C 2.430 178.523 176.094 -0.002 0.000 1.068 107 V CA 1.859 64.175 62.300 0.026 0.000 1.061 107 V CB -0.960 30.915 31.823 0.086 0.000 0.656 107 V HN 0.513 nan 8.190 nan 0.000 0.455 108 L N -0.539 120.657 121.223 -0.046 0.000 2.762 108 L HA 0.097 4.437 4.340 -0.001 0.000 0.250 108 L C 1.483 178.351 176.870 -0.004 0.000 1.160 108 L CA 1.376 56.188 54.840 -0.046 0.000 0.951 108 L CB -0.677 41.313 42.059 -0.116 0.000 1.148 108 L HN 0.130 nan 8.230 nan 0.000 0.424 109 K N -1.902 118.498 120.400 0.000 0.000 2.601 109 K HA 0.190 4.510 4.320 -0.001 0.000 0.214 109 K C 1.299 177.902 176.600 0.005 0.000 1.628 109 K CA 0.161 56.452 56.287 0.007 0.000 1.036 109 K CB 0.651 33.155 32.500 0.006 0.000 1.352 109 K HN 0.203 nan 8.250 nan 0.000 0.607 110 E N 0.616 120.819 120.200 0.005 0.000 2.251 110 E HA 0.100 4.449 4.350 -0.001 0.000 0.194 110 E C 0.698 177.298 176.600 0.000 0.000 0.964 110 E CA 0.744 57.147 56.400 0.004 0.000 0.868 110 E CB 0.590 30.295 29.700 0.009 0.000 0.828 110 E HN 0.032 nan 8.360 nan 0.000 0.481 111 K N -1.016 119.384 120.400 0.001 0.000 2.529 111 K HA 0.296 4.616 4.320 -0.001 0.000 0.215 111 K C -0.037 176.552 176.600 -0.018 0.000 1.286 111 K CA 0.470 56.751 56.287 -0.010 0.000 0.997 111 K CB 1.888 34.388 32.500 -0.001 0.000 1.063 111 K HN 0.105 nan 8.250 nan 0.000 0.590 112 A N 1.667 124.486 122.820 -0.002 0.000 6.365 112 A HA -0.184 4.136 4.320 -0.001 0.000 0.240 112 A C -2.002 175.603 177.584 0.033 0.000 2.238 112 A CA 0.130 52.173 52.037 0.009 0.000 0.699 112 A CB -1.948 17.050 19.000 -0.003 0.000 0.959 112 A HN 0.101 nan 8.150 nan 0.000 0.362 113 P HA -0.192 nan 4.420 nan 0.000 0.218 113 P C 0.754 178.189 177.300 0.225 0.000 1.154 113 P CA 2.133 65.365 63.100 0.220 0.000 0.872 113 P CB -0.429 31.514 31.700 0.406 0.000 0.790 114 E N -0.996 119.158 120.200 -0.077 0.000 2.520 114 E HA 0.096 4.445 4.350 -0.001 0.000 0.201 114 E C 1.349 177.969 176.600 0.033 0.000 1.122 114 E CA 0.447 56.743 56.400 -0.175 0.000 0.896 114 E CB -0.283 29.083 29.700 -0.556 0.000 0.891 114 E HN 0.306 nan 8.360 nan 0.000 0.533 115 A N 0.618 123.499 122.820 0.101 0.000 2.312 115 A HA 0.130 4.449 4.320 -0.001 0.000 0.215 115 A C 0.928 178.642 177.584 0.217 0.000 1.256 115 A CA -0.239 51.871 52.037 0.122 0.000 0.966 115 A CB 0.539 19.583 19.000 0.074 0.000 1.053 115 A HN 0.107 nan 8.150 nan 0.000 0.510 116 V N -1.429 118.641 119.914 0.260 0.000 2.539 116 V HA 0.835 4.954 4.120 -0.001 0.000 0.292 116 V C 0.211 176.575 176.094 0.449 0.000 1.045 116 V CA -0.038 62.484 62.300 0.371 0.000 0.945 116 V CB 0.977 32.926 31.823 0.211 0.000 0.993 116 V HN 0.580 nan 8.190 nan 0.000 0.464 117 G N 3.352 112.487 108.800 0.558 0.000 2.746 117 G HA2 0.641 4.601 3.960 -0.001 0.000 0.297 117 G HA3 0.641 4.601 3.960 -0.001 0.000 0.297 117 G C -1.325 173.824 174.900 0.415 0.000 1.426 117 G CA -0.887 44.535 45.100 0.538 0.000 0.989 117 G HN 0.660 nan 8.290 nan 0.000 0.520 118 M N 1.127 120.918 119.600 0.318 0.000 2.528 118 M HA 0.565 5.045 4.480 -0.001 0.000 0.321 118 M C -1.707 174.689 176.300 0.159 0.000 1.153 118 M CA -0.820 54.587 55.300 0.179 0.000 0.951 118 M CB 2.809 35.583 32.600 0.290 0.000 1.705 118 M HN 0.436 nan 8.290 nan 0.000 0.451 119 F N 1.497 121.309 119.950 -0.229 0.000 2.676 119 F HA 0.582 5.109 4.527 -0.001 0.000 0.371 119 F C 0.104 175.690 175.800 -0.356 0.000 1.141 119 F CA -0.676 57.202 58.000 -0.203 0.000 1.133 119 F CB 0.686 39.583 39.000 -0.173 0.000 1.376 119 F HN 0.564 nan 8.300 nan 0.000 0.491 120 G N 1.832 110.197 108.800 -0.725 0.000 2.509 120 G HA2 0.573 4.533 3.960 -0.001 0.000 0.269 120 G HA3 0.573 4.533 3.960 -0.001 0.000 0.269 120 G C -0.762 173.456 174.900 -1.137 0.000 1.416 120 G CA -0.049 44.199 45.100 -1.420 0.000 1.052 120 G HN 0.816 nan 8.290 nan 0.000 0.542 121 S N -3.243 111.845 115.700 -1.020 0.000 2.596 121 S HA 0.526 4.996 4.470 -0.001 0.000 0.270 121 S C 0.580 175.088 174.600 -0.152 0.000 1.155 121 S CA 0.167 58.069 58.200 -0.497 0.000 0.827 121 S CB 1.344 64.316 63.200 -0.380 0.000 1.130 121 S HN 1.324 nan 8.310 nan 0.000 0.467 122 G N -0.196 108.569 108.800 -0.059 0.000 3.061 122 G HA2 0.159 4.119 3.960 -0.001 0.000 0.208 122 G HA3 0.159 4.119 3.960 -0.001 0.000 0.208 122 G C 0.558 175.490 174.900 0.054 0.000 1.175 122 G CA -0.027 45.104 45.100 0.050 0.000 0.812 122 G HN 0.714 nan 8.290 nan 0.000 0.523 123 Q N -1.363 118.485 119.800 0.080 0.000 2.246 123 Q HA 0.104 4.444 4.340 -0.001 0.000 0.222 123 Q C 0.163 176.383 176.000 0.366 0.000 0.851 123 Q CA -0.673 55.210 55.803 0.133 0.000 0.945 123 Q CB 0.728 29.563 28.738 0.162 0.000 1.122 123 Q HN 0.374 nan 8.270 nan 0.000 0.508 124 W N 2.085 123.478 121.300 0.156 0.000 2.150 124 W HA 0.153 4.812 4.660 -0.001 0.000 0.341 124 W C 0.566 177.206 176.519 0.202 0.000 1.276 124 W CA -0.293 57.131 57.345 0.132 0.000 1.238 124 W CB 0.737 30.203 29.460 0.009 0.000 1.128 124 W HN -0.182 nan 8.180 nan 0.000 0.581 125 T N 4.585 119.294 114.554 0.258 0.000 2.860 125 T HA 0.089 4.438 4.350 -0.001 0.000 0.299 125 T C 1.962 176.445 174.700 -0.362 0.000 1.045 125 T CA -0.437 61.538 62.100 -0.208 0.000 1.071 125 T CB 0.697 69.186 68.868 -0.631 0.000 0.985 125 T HN 0.257 nan 8.240 nan 0.000 0.537 126 I N 0.281 120.500 120.570 -0.585 0.000 2.145 126 I HA -0.254 3.916 4.170 -0.001 0.000 0.244 126 I C 2.037 177.914 176.117 -0.401 0.000 1.075 126 I CA 1.911 62.927 61.300 -0.474 0.000 1.332 126 I CB -0.267 37.461 38.000 -0.454 0.000 1.033 126 I HN 0.849 nan 8.210 nan 0.000 0.410 127 W N 0.901 122.083 121.300 -0.197 0.000 2.937 127 W HA 0.072 4.731 4.660 -0.001 0.000 0.245 127 W C 1.823 178.195 176.519 -0.246 0.000 1.306 127 W CA 0.017 57.270 57.345 -0.155 0.000 1.470 127 W CB -1.056 28.341 29.460 -0.106 0.000 1.132 127 W HN 0.074 nan 8.180 nan 0.000 0.675 128 E N 0.717 120.791 120.200 -0.210 0.000 2.122 128 E HA -0.005 4.344 4.350 -0.001 0.000 0.190 128 E C 2.505 178.482 176.600 -1.038 0.000 0.977 128 E CA 1.050 57.129 56.400 -0.536 0.000 0.820 128 E CB -0.478 28.883 29.700 -0.566 0.000 0.770 128 E HN 0.438 nan 8.360 nan 0.000 0.462 129 G N 0.224 108.562 108.800 -0.770 0.000 2.484 129 G HA2 -0.234 3.726 3.960 -0.001 0.000 0.218 129 G HA3 -0.234 3.726 3.960 -0.001 0.000 0.218 129 G C 1.275 175.946 174.900 -0.383 0.000 1.130 129 G CA 0.190 44.890 45.100 -0.667 0.000 0.784 129 G HN 0.252 nan 8.290 nan 0.000 0.543 130 Y N 1.322 121.368 120.300 -0.423 0.000 2.176 130 Y HA 0.191 4.741 4.550 -0.001 0.000 0.291 130 Y C 2.925 178.666 175.900 -0.264 0.000 1.122 130 Y CA 1.116 59.031 58.100 -0.308 0.000 1.128 130 Y CB 0.054 38.350 38.460 -0.273 0.000 1.005 130 Y HN 0.217 nan 8.280 nan 0.000 0.509 131 A N 0.533 123.187 122.820 -0.278 0.000 1.978 131 A HA -0.170 4.150 4.320 -0.001 0.000 0.220 131 A C 2.234 179.637 177.584 -0.302 0.000 1.170 131 A CA 1.723 53.613 52.037 -0.245 0.000 0.636 131 A CB -1.268 17.585 19.000 -0.245 0.000 0.810 131 A HN 0.617 nan 8.150 nan 0.000 0.448 132 A N -1.024 121.523 122.820 -0.454 0.000 1.854 132 A HA -0.033 4.286 4.320 -0.001 0.000 0.214 132 A C 2.457 179.884 177.584 -0.261 0.000 1.192 132 A CA 1.899 53.703 52.037 -0.389 0.000 0.611 132 A CB -1.090 17.499 19.000 -0.684 0.000 0.832 132 A HN 0.530 nan 8.150 nan 0.000 0.442 133 S N -0.502 115.037 115.700 -0.269 0.000 2.365 133 S HA -0.255 4.215 4.470 -0.001 0.000 0.225 133 S C 2.104 176.512 174.600 -0.320 0.000 1.039 133 S CA 2.176 60.274 58.200 -0.170 0.000 1.033 133 S CB -0.337 62.822 63.200 -0.068 0.000 0.887 133 S HN 0.552 nan 8.310 nan 0.000 0.447 134 K N 0.060 120.065 120.400 -0.659 0.000 1.991 134 K HA -0.128 4.192 4.320 -0.001 0.000 0.212 134 K C 2.120 178.343 176.600 -0.628 0.000 1.049 134 K CA 1.710 57.382 56.287 -1.026 0.000 0.932 134 K CB -0.490 31.254 32.500 -1.261 0.000 0.717 134 K HN 0.352 nan 8.250 nan 0.000 0.441 135 L N 0.742 121.688 121.223 -0.462 0.000 2.042 135 L HA -0.198 4.141 4.340 -0.001 0.000 0.210 135 L C 2.008 178.627 176.870 -0.418 0.000 1.076 135 L CA 1.800 56.382 54.840 -0.430 0.000 0.749 135 L CB -0.317 41.601 42.059 -0.236 0.000 0.893 135 L HN 0.268 nan 8.230 nan 0.000 0.432 136 M N -1.124 118.364 119.600 -0.186 0.000 2.254 136 M HA -0.078 4.402 4.480 -0.001 0.000 0.265 136 M C 2.351 178.654 176.300 0.005 0.000 1.066 136 M CA 1.482 56.787 55.300 0.009 0.000 1.123 136 M CB -0.718 31.953 32.600 0.119 0.000 1.388 136 M HN 0.309 nan 8.290 nan 0.000 0.425 137 R N -0.704 119.753 120.500 -0.072 0.000 2.056 137 R HA 0.244 4.583 4.340 -0.001 0.000 0.215 137 R C 2.262 178.545 176.300 -0.027 0.000 1.205 137 R CA 0.919 57.006 56.100 -0.022 0.000 1.020 137 R CB -0.636 29.688 30.300 0.040 0.000 0.911 137 R HN 0.257 nan 8.270 nan 0.000 0.451 138 A N 0.934 123.708 122.820 -0.076 0.000 2.019 138 A HA -0.022 4.297 4.320 -0.001 0.000 0.219 138 A C 1.924 179.526 177.584 0.029 0.000 1.164 138 A CA 1.808 53.810 52.037 -0.060 0.000 0.644 138 A CB -0.917 17.982 19.000 -0.167 0.000 0.805 138 A HN 0.460 nan 8.150 nan 0.000 0.449 139 G N -1.288 107.443 108.800 -0.114 0.000 2.558 139 G HA2 0.117 4.077 3.960 -0.001 0.000 0.218 139 G HA3 0.117 4.077 3.960 -0.001 0.000 0.218 139 G C 1.062 176.000 174.900 0.063 0.000 1.567 139 G CA 0.415 45.439 45.100 -0.128 0.000 0.950 139 G HN 0.410 nan 8.290 nan 0.000 0.517 140 F N 0.875 120.801 119.950 -0.040 0.000 2.722 140 F HA 0.151 4.677 4.527 -0.001 0.000 0.298 140 F C 1.173 177.026 175.800 0.089 0.000 1.175 140 F CA 0.104 58.088 58.000 -0.028 0.000 1.462 140 F CB -0.007 38.947 39.000 -0.077 0.000 1.111 140 F HN 0.026 nan 8.300 nan 0.000 0.592 141 R N 0.841 121.477 120.500 0.227 0.000 3.333 141 R HA -0.196 4.144 4.340 -0.001 0.000 0.256 141 R C -0.313 176.159 176.300 0.287 0.000 1.010 141 R CA 0.622 56.828 56.100 0.176 0.000 0.680 141 R CB -1.853 28.542 30.300 0.158 0.000 1.102 141 R HN 0.230 nan 8.270 nan 0.000 0.440 142 S N -0.335 115.504 115.700 0.232 0.000 2.557 142 S HA 0.411 4.880 4.470 -0.001 0.000 0.291 142 S C 0.201 174.736 174.600 -0.109 0.000 1.116 142 S CA -0.956 57.404 58.200 0.267 0.000 0.992 142 S CB 1.358 64.843 63.200 0.475 0.000 1.028 142 S HN 0.270 nan 8.310 nan 0.000 0.484 143 N N 3.682 121.975 118.700 -0.678 0.000 2.320 143 N HA 0.157 4.897 4.740 -0.001 0.000 0.237 143 N C -0.126 175.314 175.510 -0.117 0.000 1.129 143 N CA 0.009 52.783 53.050 -0.460 0.000 0.854 143 N CB -0.177 37.883 38.487 -0.710 0.000 1.083 143 N HN 0.678 nan 8.380 nan 0.000 0.504 144 N N 0.839 119.610 118.700 0.119 0.000 2.484 144 N HA 0.031 4.770 4.740 -0.001 0.000 0.245 144 N C -0.668 175.017 175.510 0.291 0.000 1.184 144 N CA -0.155 53.077 53.050 0.303 0.000 0.884 144 N CB 0.185 38.937 38.487 0.441 0.000 1.182 144 N HN 0.075 nan 8.380 nan 0.000 0.493 145 L N 0.511 121.865 121.223 0.219 0.000 2.276 145 L HA 0.473 4.813 4.340 -0.001 0.000 0.286 145 L C -0.993 175.998 176.870 0.201 0.000 1.024 145 L CA -0.180 54.791 54.840 0.219 0.000 0.826 145 L CB 1.093 43.255 42.059 0.172 0.000 1.211 145 L HN -0.101 nan 8.230 nan 0.000 0.422 146 D N 6.289 126.824 120.400 0.225 0.000 2.601 146 D HA 0.697 5.336 4.640 -0.001 0.000 0.230 146 D C -2.912 173.306 176.300 -0.136 0.000 1.106 146 D CA -1.258 52.831 54.000 0.149 0.000 0.873 146 D CB 3.131 44.140 40.800 0.348 0.000 1.515 146 D HN 0.337 nan 8.370 nan 0.000 0.468 147 P HA 0.272 nan 4.420 nan 0.000 0.290 147 P C -0.071 176.686 177.300 -0.904 0.000 1.302 147 P CA -0.436 62.175 63.100 -0.815 0.000 0.893 147 P CB 1.230 32.464 31.700 -0.776 0.000 1.272 148 N N -0.119 118.019 118.700 -0.936 0.000 2.459 148 N HA -0.088 4.651 4.740 -0.001 0.000 0.181 148 N C 1.500 176.865 175.510 -0.240 0.000 1.046 148 N CA 1.143 53.868 53.050 -0.543 0.000 0.904 148 N CB -1.568 36.737 38.487 -0.303 0.000 0.964 148 N HN 0.365 nan 8.380 nan 0.000 0.444 149 A N 0.935 123.614 122.820 -0.235 0.000 2.178 149 A HA -0.077 4.242 4.320 -0.001 0.000 0.218 149 A C 2.276 179.970 177.584 0.183 0.000 1.157 149 A CA 1.055 53.100 52.037 0.013 0.000 0.689 149 A CB -0.704 18.317 19.000 0.033 0.000 0.787 149 A HN 0.356 nan 8.150 nan 0.000 0.465 150 R N -0.723 119.816 120.500 0.064 0.000 2.120 150 R HA -0.147 4.192 4.340 -0.001 0.000 0.234 150 R C 1.633 178.093 176.300 0.266 0.000 1.123 150 R CA 1.678 57.922 56.100 0.241 0.000 0.975 150 R CB -0.377 30.026 30.300 0.171 0.000 0.866 150 R HN 0.621 nan 8.270 nan 0.000 0.446 151 H N -1.619 117.615 119.070 0.273 0.000 2.547 151 H HA 0.002 4.557 4.556 -0.001 0.000 0.272 151 H C 1.666 177.153 175.328 0.264 0.000 0.989 151 H CA 0.888 57.120 56.048 0.307 0.000 1.214 151 H CB -0.188 29.747 29.762 0.288 0.000 1.389 151 H HN 0.332 nan 8.280 nan 0.000 0.577 152 C N -0.410 119.086 119.300 0.325 0.000 2.463 152 C HA 0.131 4.591 4.460 -0.001 0.000 0.322 152 C C 1.906 177.065 174.990 0.282 0.000 1.556 152 C CA 0.091 59.271 59.018 0.269 0.000 2.225 152 C CB -0.283 27.585 27.740 0.213 0.000 1.995 152 C HN 0.263 nan 8.230 nan 0.000 0.678 153 M N 1.360 121.142 119.600 0.304 0.000 2.333 153 M HA 0.333 4.813 4.480 -0.001 0.000 0.257 153 M C 1.943 178.412 176.300 0.282 0.000 1.078 153 M CA 0.657 56.137 55.300 0.300 0.000 1.005 153 M CB -1.350 31.436 32.600 0.311 0.000 1.444 153 M HN 0.498 nan 8.290 nan 0.000 0.496 154 A N 0.552 123.551 122.820 0.298 0.000 1.859 154 A HA -0.215 4.105 4.320 -0.001 0.000 0.218 154 A C 2.436 180.112 177.584 0.153 0.000 1.209 154 A CA 2.693 54.856 52.037 0.211 0.000 0.639 154 A CB -1.032 18.114 19.000 0.243 0.000 0.835 154 A HN 0.444 nan 8.150 nan 0.000 0.450 155 S N -0.248 115.550 115.700 0.162 0.000 2.369 155 S HA -0.211 4.258 4.470 -0.001 0.000 0.225 155 S C 2.325 177.002 174.600 0.129 0.000 1.043 155 S CA 1.822 60.095 58.200 0.121 0.000 1.074 155 S CB -0.755 62.525 63.200 0.133 0.000 0.962 155 S HN 0.929 nan 8.310 nan 0.000 0.433 156 A N 1.432 124.373 122.820 0.202 0.000 1.908 156 A HA 0.061 4.381 4.320 -0.001 0.000 0.218 156 A C 2.378 180.107 177.584 0.242 0.000 1.181 156 A CA 1.920 54.084 52.037 0.212 0.000 0.627 156 A CB -1.167 18.009 19.000 0.293 0.000 0.818 156 A HN 0.554 nan 8.150 nan 0.000 0.445 157 A N -1.202 121.804 122.820 0.310 0.000 1.877 157 A HA -0.081 4.239 4.320 -0.001 0.000 0.216 157 A C 2.322 180.059 177.584 0.256 0.000 1.186 157 A CA 2.313 54.564 52.037 0.357 0.000 0.620 157 A CB -1.349 17.733 19.000 0.137 0.000 0.822 157 A HN 0.420 nan 8.150 nan 0.000 0.443 158 T N 0.355 114.991 114.554 0.136 0.000 2.652 158 T HA -0.114 4.236 4.350 -0.001 0.000 0.267 158 T C 2.204 176.953 174.700 0.081 0.000 1.039 158 T CA 1.948 64.102 62.100 0.089 0.000 1.153 158 T CB -0.518 68.378 68.868 0.047 0.000 0.863 158 T HN 0.615 nan 8.240 nan 0.000 0.428 159 A N 0.228 123.050 122.820 0.004 0.000 1.972 159 A HA -0.004 4.315 4.320 -0.001 0.000 0.219 159 A C 2.029 179.572 177.584 -0.069 0.000 1.169 159 A CA 1.218 53.129 52.037 -0.211 0.000 0.635 159 A CB -1.017 17.765 19.000 -0.363 0.000 0.810 159 A HN 0.529 nan 8.150 nan 0.000 0.446 160 F N -0.601 119.406 119.950 0.095 0.000 2.046 160 F HA -0.281 4.246 4.527 -0.001 0.000 0.297 160 F C 2.711 178.582 175.800 0.118 0.000 1.123 160 F CA 1.541 59.633 58.000 0.154 0.000 1.199 160 F CB -0.180 38.911 39.000 0.152 0.000 0.972 160 F HN 0.127 nan 8.300 nan 0.000 0.474 161 M N 0.145 119.933 119.600 0.313 0.000 2.065 161 M HA -0.220 4.260 4.480 -0.001 0.000 0.259 161 M C 2.112 178.483 176.300 0.119 0.000 1.071 161 M CA 1.776 57.194 55.300 0.197 0.000 1.109 161 M CB -1.489 31.206 32.600 0.159 0.000 1.313 161 M HN 0.106 nan 8.290 nan 0.000 0.408 162 R N -0.049 120.512 120.500 0.101 0.000 2.094 162 R HA -0.170 4.169 4.340 -0.001 0.000 0.239 162 R C 2.258 178.559 176.300 0.002 0.000 1.137 162 R CA 2.363 58.517 56.100 0.091 0.000 0.943 162 R CB -1.268 29.166 30.300 0.223 0.000 0.850 162 R HN 0.617 nan 8.270 nan 0.000 0.433 163 T N -2.050 112.443 114.554 -0.102 0.000 2.942 163 T HA -0.007 4.343 4.350 -0.001 0.000 0.265 163 T C 1.461 175.681 174.700 -0.800 0.000 1.062 163 T CA 0.876 62.676 62.100 -0.499 0.000 1.139 163 T CB -0.044 68.309 68.868 -0.859 0.000 0.883 163 T HN 0.174 nan 8.240 nan 0.000 0.468 164 F N 0.738 120.562 119.950 -0.210 0.000 2.728 164 F HA 0.537 5.064 4.527 -0.001 0.000 0.314 164 F C 1.933 177.665 175.800 -0.113 0.000 1.094 164 F CA -0.292 57.562 58.000 -0.244 0.000 1.217 164 F CB 0.313 39.202 39.000 -0.184 0.000 1.056 164 F HN 0.327 nan 8.300 nan 0.000 0.577 165 G N 1.186 110.058 108.800 0.121 0.000 2.155 165 G HA2 -0.324 3.635 3.960 -0.001 0.000 0.257 165 G HA3 -0.324 3.635 3.960 -0.001 0.000 0.257 165 G C 0.097 175.091 174.900 0.156 0.000 0.983 165 G CA 0.557 45.725 45.100 0.113 0.000 0.676 165 G HN 0.339 nan 8.290 nan 0.000 0.528 166 M N -0.416 119.305 119.600 0.201 0.000 2.414 166 M HA 0.327 4.807 4.480 -0.001 0.000 0.287 166 M C -1.241 175.121 176.300 0.102 0.000 1.181 166 M CA -0.780 54.632 55.300 0.187 0.000 0.933 166 M CB 1.862 34.581 32.600 0.197 0.000 1.732 166 M HN 0.110 nan 8.290 nan 0.000 0.486 167 D N 2.021 122.445 120.400 0.041 0.000 2.398 167 D HA 0.315 4.954 4.640 -0.001 0.000 0.247 167 D C -0.726 175.175 176.300 -0.664 0.000 1.227 167 D CA 1.139 54.985 54.000 -0.257 0.000 0.980 167 D CB 0.781 41.572 40.800 -0.016 0.000 1.106 167 D HN 0.510 nan 8.370 nan 0.000 0.493 168 E N -1.672 117.800 120.200 -1.213 0.000 8.367 168 E HA -0.145 4.204 4.350 -0.001 0.000 0.467 168 E C -2.448 173.462 176.600 -1.151 0.000 0.968 168 E CA -0.024 55.801 56.400 -0.959 0.000 1.684 168 E CB -1.661 27.805 29.700 -0.389 0.000 0.997 168 E HN 0.334 nan 8.360 nan 0.000 0.275 169 P HA -0.000 nan 4.420 nan 0.000 0.270 169 P C 1.055 178.153 177.300 -0.337 0.000 1.227 169 P CA 0.030 62.993 63.100 -0.227 0.000 0.788 169 P CB 0.290 31.751 31.700 -0.399 0.000 0.926 170 M N -0.809 118.671 119.600 -0.200 0.000 2.337 170 M HA 0.322 4.801 4.480 -0.001 0.000 0.256 170 M C 0.634 176.872 176.300 -0.104 0.000 1.075 170 M CA 0.500 55.639 55.300 -0.269 0.000 1.024 170 M CB -0.913 31.602 32.600 -0.143 0.000 1.429 170 M HN 0.209 nan 8.290 nan 0.000 0.497 171 G N 1.286 110.093 108.800 0.012 0.000 2.702 171 G HA2 0.650 4.609 3.960 -0.001 0.000 0.254 171 G HA3 0.650 4.609 3.960 -0.001 0.000 0.254 171 G C -0.745 174.060 174.900 -0.158 0.000 1.380 171 G CA 0.080 45.214 45.100 0.056 0.000 1.042 171 G HN 0.744 nan 8.290 nan 0.000 0.557 172 C N -4.077 115.047 119.300 -0.293 0.000 3.275 172 C HA 0.459 4.919 4.460 -0.001 0.000 0.340 172 C C 0.947 175.679 174.990 -0.430 0.000 1.366 172 C CA -1.114 57.646 59.018 -0.430 0.000 1.227 172 C CB -0.261 27.051 27.740 -0.713 0.000 1.512 172 C HN 0.849 nan 8.230 nan 0.000 0.461 173 Y N 0.153 120.227 120.300 -0.377 0.000 2.348 173 Y HA -0.227 4.322 4.550 -0.001 0.000 0.285 173 Y C 1.872 177.752 175.900 -0.033 0.000 1.173 173 Y CA 1.640 59.645 58.100 -0.158 0.000 1.263 173 Y CB -0.255 38.280 38.460 0.125 0.000 0.974 173 Y HN 0.781 nan 8.280 nan 0.000 0.547 174 D N 0.204 120.622 120.400 0.030 0.000 2.265 174 D HA -0.168 4.472 4.640 -0.001 0.000 0.208 174 D C 1.501 177.891 176.300 0.150 0.000 0.977 174 D CA 1.320 55.364 54.000 0.073 0.000 0.871 174 D CB -0.206 40.534 40.800 -0.100 0.000 0.925 174 D HN 0.312 nan 8.370 nan 0.000 0.485 175 D N -0.569 119.850 120.400 0.032 0.000 2.144 175 D HA -0.142 4.497 4.640 -0.001 0.000 0.199 175 D C 1.761 178.035 176.300 -0.042 0.000 0.984 175 D CA 0.527 54.519 54.000 -0.013 0.000 0.834 175 D CB -0.327 40.379 40.800 -0.157 0.000 0.955 175 D HN 0.328 nan 8.370 nan 0.000 0.465 176 F N 1.101 121.110 119.950 0.098 0.000 2.147 176 F HA -0.203 4.324 4.527 -0.001 0.000 0.301 176 F C 2.268 178.191 175.800 0.205 0.000 1.084 176 F CA 1.030 59.151 58.000 0.201 0.000 1.268 176 F CB -0.038 38.997 39.000 0.058 0.000 1.009 176 F HN -0.085 nan 8.300 nan 0.000 0.486 177 E N -0.592 119.787 120.200 0.298 0.000 2.385 177 E HA 0.061 4.411 4.350 -0.001 0.000 0.194 177 E C 1.841 178.528 176.600 0.146 0.000 1.013 177 E CA 0.702 57.231 56.400 0.214 0.000 0.866 177 E CB -0.069 29.736 29.700 0.175 0.000 0.832 177 E HN 0.321 nan 8.360 nan 0.000 0.500 178 A N 0.457 123.335 122.820 0.097 0.000 2.140 178 A HA 0.509 4.828 4.320 -0.001 0.000 0.209 178 A C 1.367 178.922 177.584 -0.047 0.000 1.181 178 A CA 0.360 52.413 52.037 0.026 0.000 0.824 178 A CB -0.051 18.960 19.000 0.018 0.000 0.879 178 A HN 0.218 nan 8.150 nan 0.000 0.480 179 A N 0.138 122.873 122.820 -0.141 0.000 2.521 179 A HA 0.277 4.597 4.320 -0.001 0.000 0.237 179 A C 0.479 177.909 177.584 -0.256 0.000 1.087 179 A CA 0.684 52.506 52.037 -0.358 0.000 0.777 179 A CB 0.126 18.569 19.000 -0.928 0.000 1.035 179 A HN 0.297 nan 8.150 nan 0.000 0.510 180 D N -0.663 119.594 120.400 -0.239 0.000 2.449 180 D HA 0.440 5.080 4.640 -0.001 0.000 0.210 180 D C 0.052 176.303 176.300 -0.081 0.000 1.094 180 D CA 1.455 55.460 54.000 0.008 0.000 0.846 180 D CB 0.716 41.601 40.800 0.142 0.000 1.003 180 D HN 0.879 nan 8.370 nan 0.000 0.504 181 A N 0.183 122.714 122.820 -0.482 0.000 2.596 181 A HA 0.453 4.773 4.320 -0.001 0.000 0.305 181 A C -1.816 174.897 177.584 -1.452 0.000 1.032 181 A CA -0.724 50.920 52.037 -0.655 0.000 0.776 181 A CB 0.046 18.952 19.000 -0.156 0.000 1.253 181 A HN -0.063 nan 8.150 nan 0.000 0.402 182 F N 1.118 120.573 119.950 -0.825 0.000 2.420 182 F HA 0.621 5.147 4.527 -0.001 0.000 0.342 182 F C 0.343 175.811 175.800 -0.554 0.000 1.113 182 F CA -0.752 56.843 58.000 -0.675 0.000 1.059 182 F CB 2.181 41.026 39.000 -0.259 0.000 1.128 182 F HN 0.301 nan 8.300 nan 0.000 0.475 183 V N 4.950 124.690 119.914 -0.289 0.000 2.378 183 V HA 0.340 4.459 4.120 -0.001 0.000 0.288 183 V C -0.585 175.573 176.094 0.107 0.000 1.016 183 V CA -0.652 61.652 62.300 0.008 0.000 0.840 183 V CB 1.728 33.741 31.823 0.317 0.000 0.994 183 V HN 0.519 nan 8.190 nan 0.000 0.431 184 L N 5.539 126.776 121.223 0.023 0.000 2.287 184 L HA 0.420 4.760 4.340 -0.001 0.000 0.280 184 L C -0.568 176.280 176.870 -0.036 0.000 1.055 184 L CA 0.125 55.011 54.840 0.078 0.000 0.863 184 L CB 0.644 42.757 42.059 0.090 0.000 1.245 184 L HN 0.651 nan 8.230 nan 0.000 0.432 185 W N 4.902 126.237 121.300 0.058 0.000 1.564 185 W HA 0.400 5.060 4.660 -0.001 0.000 0.480 185 W C 1.444 177.864 176.519 -0.164 0.000 0.699 185 W CA 0.176 57.435 57.345 -0.143 0.000 1.985 185 W CB 0.141 29.240 29.460 -0.602 0.000 1.738 185 W HN 0.770 nan 8.180 nan 0.000 0.218 186 G N 1.022 109.913 108.800 0.152 0.000 2.143 186 G HA2 -0.292 3.667 3.960 -0.001 0.000 0.248 186 G HA3 -0.292 3.667 3.960 -0.001 0.000 0.248 186 G C 0.518 175.467 174.900 0.082 0.000 0.991 186 G CA 0.085 45.278 45.100 0.155 0.000 0.689 186 G HN 0.336 nan 8.290 nan 0.000 0.522 187 S N -0.752 114.980 115.700 0.053 0.000 2.632 187 S HA 0.556 5.025 4.470 -0.001 0.000 0.267 187 S C 0.744 175.249 174.600 -0.159 0.000 1.276 187 S CA 0.044 58.240 58.200 -0.006 0.000 0.998 187 S CB 1.006 64.210 63.200 0.006 0.000 0.953 187 S HN 0.481 nan 8.310 nan 0.000 0.547 188 N N 1.414 119.956 118.700 -0.263 0.000 2.646 188 N HA 0.179 4.918 4.740 -0.001 0.000 0.303 188 N C 1.007 176.213 175.510 -0.505 0.000 1.921 188 N CA -0.066 52.629 53.050 -0.591 0.000 0.872 188 N CB -0.011 38.167 38.487 -0.516 0.000 1.327 188 N HN 0.530 nan 8.380 nan 0.000 0.492 189 M N 0.095 119.395 119.600 -0.500 0.000 2.108 189 M HA -0.231 4.249 4.480 -0.001 0.000 0.257 189 M C 2.356 178.344 176.300 -0.520 0.000 1.071 189 M CA 1.973 57.068 55.300 -0.342 0.000 1.093 189 M CB -0.567 31.937 32.600 -0.161 0.000 1.345 189 M HN 0.436 nan 8.290 nan 0.000 0.403 190 A N 0.054 122.140 122.820 -1.224 0.000 2.009 190 A HA -0.231 4.088 4.320 -0.001 0.000 0.222 190 A C 1.915 179.260 177.584 -0.398 0.000 1.175 190 A CA 2.285 53.702 52.037 -1.033 0.000 0.651 190 A CB -0.590 17.788 19.000 -1.037 0.000 0.815 190 A HN 0.683 nan 8.150 nan 0.000 0.459 191 E N -2.481 117.507 120.200 -0.353 0.000 2.453 191 E HA 0.100 4.449 4.350 -0.001 0.000 0.211 191 E C 1.115 177.624 176.600 -0.150 0.000 0.897 191 E CA 0.172 56.447 56.400 -0.208 0.000 1.063 191 E CB 0.226 29.809 29.700 -0.195 0.000 1.080 191 E HN 0.522 nan 8.360 nan 0.000 0.512 192 M N -0.475 119.051 119.600 -0.124 0.000 2.421 192 M HA 0.191 4.671 4.480 -0.001 0.000 0.258 192 M C 0.073 176.290 176.300 -0.138 0.000 1.122 192 M CA 0.754 56.016 55.300 -0.062 0.000 1.078 192 M CB -0.270 32.362 32.600 0.053 0.000 1.380 192 M HN -0.026 nan 8.290 nan 0.000 0.499 193 H N -1.032 117.996 119.070 -0.069 0.000 2.712 193 H HA 0.282 4.837 4.556 -0.001 0.000 0.226 193 H C -2.025 173.266 175.328 -0.062 0.000 1.422 193 H CA -1.011 55.013 56.048 -0.040 0.000 1.270 193 H CB 0.448 30.204 29.762 -0.009 0.000 1.891 193 H HN -0.040 nan 8.280 nan 0.000 0.518 194 P HA -0.210 nan 4.420 nan 0.000 0.214 194 P C 1.421 178.712 177.300 -0.014 0.000 1.163 194 P CA 1.102 64.206 63.100 0.007 0.000 0.889 194 P CB 0.384 32.062 31.700 -0.037 0.000 0.790 195 I N -1.649 118.870 120.570 -0.085 0.000 2.614 195 I HA -0.135 4.035 4.170 -0.001 0.000 0.258 195 I C 2.193 178.147 176.117 -0.272 0.000 1.189 195 I CA 1.195 62.405 61.300 -0.150 0.000 1.462 195 I CB -1.422 36.491 38.000 -0.146 0.000 1.092 195 I HN 0.021 nan 8.210 nan 0.000 0.442 196 L N -1.184 119.865 121.223 -0.289 0.000 2.095 196 L HA -0.168 4.171 4.340 -0.001 0.000 0.204 196 L C 2.517 179.037 176.870 -0.583 0.000 1.080 196 L CA 1.079 55.541 54.840 -0.630 0.000 0.759 196 L CB -0.513 41.259 42.059 -0.478 0.000 0.914 196 L HN 0.430 nan 8.230 nan 0.000 0.439 197 W N 0.495 121.537 121.300 -0.431 0.000 2.374 197 W HA -0.249 4.410 4.660 -0.001 0.000 0.288 197 W C 2.620 178.925 176.519 -0.357 0.000 1.218 197 W CA 1.540 58.667 57.345 -0.362 0.000 1.245 197 W CB 0.135 29.456 29.460 -0.232 0.000 1.126 197 W HN 0.197 nan 8.180 nan 0.000 0.545 198 S N 0.587 116.130 115.700 -0.260 0.000 2.368 198 S HA -0.167 4.303 4.470 -0.001 0.000 0.224 198 S C 1.920 176.288 174.600 -0.387 0.000 1.029 198 S CA 1.093 59.115 58.200 -0.297 0.000 0.988 198 S CB -0.350 62.741 63.200 -0.182 0.000 0.838 198 S HN 0.290 nan 8.310 nan 0.000 0.462 199 R N -0.032 120.191 120.500 -0.461 0.000 2.092 199 R HA -0.013 4.327 4.340 -0.001 0.000 0.231 199 R C 2.287 178.307 176.300 -0.467 0.000 1.119 199 R CA 1.423 57.251 56.100 -0.454 0.000 0.970 199 R CB -0.360 29.581 30.300 -0.597 0.000 0.864 199 R HN 0.476 nan 8.270 nan 0.000 0.440 200 L N 0.087 120.892 121.223 -0.697 0.000 2.095 200 L HA -0.025 4.315 4.340 -0.001 0.000 0.204 200 L C 1.666 178.051 176.870 -0.808 0.000 1.080 200 L CA 1.981 56.331 54.840 -0.817 0.000 0.759 200 L CB -0.960 40.477 42.059 -1.037 0.000 0.914 200 L HN -0.039 nan 8.230 nan 0.000 0.439 201 T N -0.133 113.915 114.554 -0.844 0.000 2.788 201 T HA -0.170 4.179 4.350 -0.001 0.000 0.268 201 T C 1.531 175.986 174.700 -0.408 0.000 1.044 201 T CA 1.549 63.236 62.100 -0.689 0.000 1.139 201 T CB -0.343 68.112 68.868 -0.689 0.000 0.867 201 T HN 0.488 nan 8.240 nan 0.000 0.454 202 D N 0.886 121.085 120.400 -0.334 0.000 2.144 202 D HA -0.113 4.526 4.640 -0.001 0.000 0.199 202 D C 2.293 178.485 176.300 -0.179 0.000 0.984 202 D CA 1.001 54.868 54.000 -0.222 0.000 0.834 202 D CB -0.110 40.585 40.800 -0.176 0.000 0.955 202 D HN 0.124 nan 8.370 nan 0.000 0.465 203 R N 0.492 120.909 120.500 -0.137 0.000 2.066 203 R HA -0.069 4.271 4.340 -0.001 0.000 0.232 203 R C 2.257 178.543 176.300 -0.023 0.000 1.131 203 R CA 1.908 58.015 56.100 0.012 0.000 0.955 203 R CB -0.649 29.759 30.300 0.180 0.000 0.851 203 R HN 0.067 nan 8.270 nan 0.000 0.432 204 R N 0.033 120.461 120.500 -0.120 0.000 2.070 204 R HA -0.036 4.304 4.340 -0.001 0.000 0.233 204 R C 1.870 178.092 176.300 -0.130 0.000 1.137 204 R CA 1.744 57.772 56.100 -0.119 0.000 0.945 204 R CB -0.955 29.214 30.300 -0.218 0.000 0.845 204 R HN 0.319 nan 8.270 nan 0.000 0.430 205 L N 0.450 121.570 121.223 -0.171 0.000 2.217 205 L HA 0.064 4.404 4.340 -0.001 0.000 0.211 205 L C 2.153 178.926 176.870 -0.161 0.000 1.107 205 L CA 1.623 56.373 54.840 -0.149 0.000 0.783 205 L CB -0.597 41.368 42.059 -0.157 0.000 0.919 205 L HN 0.192 nan 8.230 nan 0.000 0.442 206 S N -2.034 113.528 115.700 -0.230 0.000 2.470 206 S HA 0.053 4.523 4.470 -0.001 0.000 0.225 206 S C 0.263 174.554 174.600 -0.515 0.000 1.006 206 S CA 0.406 58.382 58.200 -0.374 0.000 0.934 206 S CB -0.124 62.788 63.200 -0.480 0.000 0.778 206 S HN 0.377 nan 8.310 nan 0.000 0.517 207 H N 1.196 120.231 119.070 -0.059 0.000 2.953 207 H HA 0.296 4.851 4.556 -0.001 0.000 0.290 207 H C -0.032 175.225 175.328 -0.118 0.000 1.113 207 H CA -0.586 55.427 56.048 -0.057 0.000 1.454 207 H CB 0.774 30.491 29.762 -0.075 0.000 1.525 207 H HN 0.145 nan 8.280 nan 0.000 0.505 208 E N 1.109 121.339 120.200 0.049 0.000 2.510 208 E HA -0.139 4.210 4.350 -0.001 0.000 0.202 208 E C 1.706 178.336 176.600 0.050 0.000 1.072 208 E CA 0.448 56.863 56.400 0.025 0.000 0.883 208 E CB 0.014 29.736 29.700 0.036 0.000 0.818 208 E HN 0.728 nan 8.360 nan 0.000 0.548 209 H N -0.785 118.340 119.070 0.093 0.000 2.535 209 H HA 0.084 4.639 4.556 -0.001 0.000 0.273 209 H C 0.594 175.973 175.328 0.085 0.000 0.983 209 H CA 0.101 56.194 56.048 0.075 0.000 1.238 209 H CB 0.024 29.822 29.762 0.058 0.000 1.412 209 H HN -0.180 nan 8.280 nan 0.000 0.562 210 V N 3.048 122.662 119.914 -0.500 0.000 2.740 210 V HA 0.119 4.238 4.120 -0.001 0.000 0.303 210 V C 0.499 176.587 176.094 -0.009 0.000 1.054 210 V CA -0.099 62.036 62.300 -0.275 0.000 1.106 210 V CB 1.038 32.725 31.823 -0.226 0.000 0.957 210 V HN 0.371 nan 8.190 nan 0.000 0.486 211 R N 2.772 123.321 120.500 0.081 0.000 2.561 211 R HA 0.617 4.957 4.340 -0.001 0.000 0.297 211 R C -1.336 175.044 176.300 0.133 0.000 0.969 211 R CA -0.654 55.523 56.100 0.130 0.000 0.879 211 R CB 1.967 32.391 30.300 0.207 0.000 1.178 211 R HN 0.479 nan 8.270 nan 0.000 0.445 212 V N 1.797 121.780 119.914 0.114 0.000 2.435 212 V HA 0.716 4.835 4.120 -0.001 0.000 0.290 212 V C -0.130 176.042 176.094 0.130 0.000 1.030 212 V CA -0.805 61.561 62.300 0.109 0.000 0.881 212 V CB 1.727 33.573 31.823 0.039 0.000 0.983 212 V HN 0.861 nan 8.190 nan 0.000 0.445 213 A N 4.699 127.602 122.820 0.138 0.000 2.335 213 A HA 0.834 5.154 4.320 -0.001 0.000 0.304 213 A C -1.053 176.571 177.584 0.066 0.000 1.118 213 A CA -0.479 51.633 52.037 0.125 0.000 0.757 213 A CB 1.563 20.675 19.000 0.188 0.000 1.188 213 A HN 0.621 nan 8.150 nan 0.000 0.460 214 V N 3.472 123.420 119.914 0.056 0.000 2.495 214 V HA 0.513 4.633 4.120 -0.001 0.000 0.298 214 V C -0.642 175.448 176.094 -0.007 0.000 1.031 214 V CA -0.406 61.914 62.300 0.033 0.000 0.871 214 V CB 1.365 33.243 31.823 0.091 0.000 0.988 214 V HN 0.774 nan 8.190 nan 0.000 0.432 215 L N 3.660 124.862 121.223 -0.036 0.000 2.334 215 L HA 0.819 5.159 4.340 -0.001 0.000 0.276 215 L C 0.143 177.107 176.870 0.156 0.000 1.014 215 L CA 0.399 55.291 54.840 0.087 0.000 0.815 215 L CB 2.021 44.086 42.059 0.011 0.000 1.268 215 L HN 0.701 nan 8.230 nan 0.000 0.428 216 S N -0.620 115.084 115.700 0.006 0.000 2.588 216 S HA 0.360 4.830 4.470 -0.001 0.000 0.269 216 S C 0.475 174.566 174.600 -0.849 0.000 1.157 216 S CA -0.424 57.528 58.200 -0.413 0.000 0.824 216 S CB 1.871 64.648 63.200 -0.704 0.000 1.126 216 S HN 0.660 nan 8.310 nan 0.000 0.464 217 T N 1.618 115.660 114.554 -0.854 0.000 2.942 217 T HA 0.228 4.577 4.350 -0.001 0.000 0.265 217 T C -0.012 174.495 174.700 -0.321 0.000 1.062 217 T CA 1.277 62.976 62.100 -0.670 0.000 1.139 217 T CB -0.307 68.346 68.868 -0.358 0.000 0.883 217 T HN 0.523 nan 8.240 nan 0.000 0.468 218 F N -0.927 118.792 119.950 -0.384 0.000 2.643 218 F HA 0.639 5.166 4.527 -0.001 0.000 0.314 218 F C -0.645 174.881 175.800 -0.455 0.000 1.096 218 F CA -1.469 56.342 58.000 -0.316 0.000 0.953 218 F CB 0.748 39.602 39.000 -0.244 0.000 1.345 218 F HN -0.484 nan 8.300 nan 0.000 0.468 219 T N 1.925 116.441 114.554 -0.063 0.000 2.761 219 T HA 0.440 4.790 4.350 -0.001 0.000 0.296 219 T C -0.656 174.007 174.700 -0.061 0.000 0.934 219 T CA -0.044 61.953 62.100 -0.173 0.000 1.091 219 T CB -0.262 68.580 68.868 -0.043 0.000 0.896 219 T HN 0.797 nan 8.240 nan 0.000 0.515 220 H N 0.948 119.964 119.070 -0.090 0.000 2.949 220 H HA 0.560 5.116 4.556 -0.001 0.000 0.310 220 H C 0.943 176.193 175.328 -0.129 0.000 1.405 220 H CA -1.768 54.221 56.048 -0.099 0.000 1.253 220 H CB 0.432 30.092 29.762 -0.170 0.000 1.932 220 H HN 0.280 nan 8.280 nan 0.000 0.602 221 R N -0.256 120.253 120.500 0.015 0.000 2.211 221 R HA -0.084 4.255 4.340 -0.001 0.000 0.240 221 R C 1.441 177.643 176.300 -0.164 0.000 1.144 221 R CA 1.719 57.771 56.100 -0.079 0.000 0.992 221 R CB -0.143 30.076 30.300 -0.136 0.000 0.869 221 R HN 0.539 nan 8.270 nan 0.000 0.462 222 S N -0.123 115.348 115.700 -0.382 0.000 2.377 222 S HA -0.081 4.388 4.470 -0.001 0.000 0.223 222 S C 1.571 176.158 174.600 -0.022 0.000 1.030 222 S CA 1.193 59.070 58.200 -0.538 0.000 0.970 222 S CB 0.117 62.718 63.200 -0.998 0.000 0.830 222 S HN 0.444 nan 8.310 nan 0.000 0.473 223 S N 1.275 117.077 115.700 0.169 0.000 2.954 223 S HA 0.081 4.550 4.470 -0.001 0.000 0.234 223 S C 0.401 175.066 174.600 0.109 0.000 0.978 223 S CA 0.084 58.356 58.200 0.122 0.000 1.045 223 S CB -0.264 62.958 63.200 0.035 0.000 0.807 223 S HN 0.195 nan 8.310 nan 0.000 0.508 224 D N 0.643 121.122 120.400 0.131 0.000 2.367 224 D HA 0.155 4.794 4.640 -0.001 0.000 0.207 224 D C 1.116 177.495 176.300 0.130 0.000 1.034 224 D CA 0.195 54.262 54.000 0.112 0.000 0.861 224 D CB 0.399 41.258 40.800 0.097 0.000 0.943 224 D HN 0.486 nan 8.370 nan 0.000 0.515 225 L N 0.080 121.427 121.223 0.206 0.000 2.693 225 L HA 0.231 4.570 4.340 -0.001 0.000 0.235 225 L C -0.024 176.901 176.870 0.092 0.000 1.127 225 L CA 0.179 55.099 54.840 0.133 0.000 0.914 225 L CB 0.424 42.563 42.059 0.133 0.000 1.193 225 L HN -0.311 nan 8.230 nan 0.000 0.502 226 S N 0.086 115.859 115.700 0.123 0.000 2.565 226 S HA 0.153 4.622 4.470 -0.001 0.000 0.276 226 S C 0.371 175.014 174.600 0.072 0.000 1.326 226 S CA -0.472 57.788 58.200 0.100 0.000 1.045 226 S CB 0.919 64.181 63.200 0.104 0.000 0.918 226 S HN 0.255 nan 8.310 nan 0.000 0.505 227 D N 1.169 121.614 120.400 0.075 0.000 2.338 227 D HA 0.044 4.683 4.640 -0.001 0.000 0.208 227 D C -0.081 176.265 176.300 0.077 0.000 0.997 227 D CA 0.858 54.901 54.000 0.071 0.000 0.880 227 D CB 0.371 41.219 40.800 0.080 0.000 0.980 227 D HN 0.437 nan 8.370 nan 0.000 0.509 228 T N 3.475 118.082 114.554 0.088 0.000 3.241 228 T HA 0.239 4.588 4.350 -0.001 0.000 0.387 228 T C -2.672 172.068 174.700 0.066 0.000 1.451 228 T CA -1.157 60.992 62.100 0.081 0.000 1.363 228 T CB 2.253 71.183 68.868 0.104 0.000 1.074 228 T HN -0.041 nan 8.240 nan 0.000 0.598 229 P HA 0.462 nan 4.420 nan 0.000 0.284 229 P C -0.718 176.604 177.300 0.037 0.000 1.343 229 P CA -0.382 62.742 63.100 0.041 0.000 0.826 229 P CB 0.603 32.325 31.700 0.037 0.000 0.956 230 I N 5.058 125.652 120.570 0.039 0.000 2.406 230 I HA 0.395 4.565 4.170 -0.001 0.000 0.290 230 I C 0.389 176.554 176.117 0.080 0.000 0.999 230 I CA -0.819 60.524 61.300 0.072 0.000 1.124 230 I CB 1.879 39.933 38.000 0.091 0.000 1.289 230 I HN 0.156 nan 8.210 nan 0.000 0.441 231 I N 7.340 127.943 120.570 0.055 0.000 2.390 231 I HA 0.304 4.474 4.170 -0.001 0.000 0.283 231 I C -0.259 175.866 176.117 0.014 0.000 1.016 231 I CA -0.496 60.774 61.300 -0.051 0.000 1.151 231 I CB 0.568 38.516 38.000 -0.087 0.000 1.293 231 I HN 0.416 nan 8.210 nan 0.000 0.458 232 F N 4.428 124.370 119.950 -0.014 0.000 2.452 232 F HA 0.702 5.229 4.527 -0.001 0.000 0.353 232 F C 0.311 176.107 175.800 -0.006 0.000 1.089 232 F CA -1.292 56.716 58.000 0.013 0.000 1.080 232 F CB 0.381 39.412 39.000 0.050 0.000 1.399 232 F HN 0.171 nan 8.300 nan 0.000 0.492 233 R N 0.803 121.440 120.500 0.229 0.000 2.357 233 R HA 0.397 4.737 4.340 -0.001 0.000 0.296 233 R C -2.667 173.650 176.300 0.028 0.000 1.052 233 R CA -1.869 54.270 56.100 0.065 0.000 0.988 233 R CB 0.682 31.079 30.300 0.162 0.000 1.025 233 R HN 0.339 nan 8.270 nan 0.000 0.469 234 P HA -0.063 nan 4.420 nan 0.000 0.258 234 P C 0.208 177.422 177.300 -0.144 0.000 1.172 234 P CA 1.495 64.283 63.100 -0.521 0.000 0.762 234 P CB 0.621 31.380 31.700 -1.569 0.000 0.764 235 G N 2.808 111.652 108.800 0.075 0.000 2.253 235 G HA2 -0.321 3.639 3.960 -0.001 0.000 0.251 235 G HA3 -0.321 3.639 3.960 -0.001 0.000 0.251 235 G C 1.003 176.193 174.900 0.484 0.000 0.998 235 G CA 0.606 45.830 45.100 0.207 0.000 0.621 235 G HN 0.603 nan 8.290 nan 0.000 0.524 236 T N 0.011 114.815 114.554 0.417 0.000 3.148 236 T HA 0.180 4.530 4.350 -0.001 0.000 0.253 236 T C 1.808 176.594 174.700 0.144 0.000 1.134 236 T CA 1.372 63.636 62.100 0.274 0.000 1.051 236 T CB -0.198 68.773 68.868 0.171 0.000 0.959 236 T HN 0.511 nan 8.240 nan 0.000 0.525 237 D N 2.024 122.500 120.400 0.126 0.000 2.182 237 D HA -0.182 4.457 4.640 -0.001 0.000 0.201 237 D C 2.068 178.377 176.300 0.014 0.000 0.986 237 D CA 0.863 54.805 54.000 -0.096 0.000 0.847 237 D CB -0.479 40.352 40.800 0.052 0.000 0.942 237 D HN 0.381 nan 8.370 nan 0.000 0.467 238 R N 0.490 121.049 120.500 0.097 0.000 2.096 238 R HA -0.079 4.261 4.340 -0.001 0.000 0.240 238 R C 2.517 178.743 176.300 -0.124 0.000 1.139 238 R CA 1.893 57.996 56.100 0.004 0.000 0.952 238 R CB -0.478 29.973 30.300 0.252 0.000 0.854 238 R HN 0.319 nan 8.270 nan 0.000 0.436 239 A N 1.147 123.901 122.820 -0.110 0.000 1.877 239 A HA -0.142 4.178 4.320 -0.001 0.000 0.216 239 A C 2.162 179.657 177.584 -0.149 0.000 1.186 239 A CA 1.308 53.166 52.037 -0.299 0.000 0.620 239 A CB -0.561 18.300 19.000 -0.231 0.000 0.822 239 A HN 0.210 nan 8.150 nan 0.000 0.443 240 I N -0.411 120.148 120.570 -0.018 0.000 2.151 240 I HA -0.314 3.856 4.170 -0.001 0.000 0.243 240 I C 2.444 178.637 176.117 0.127 0.000 1.080 240 I CA 1.420 62.797 61.300 0.129 0.000 1.339 240 I CB -0.654 37.456 38.000 0.183 0.000 1.039 240 I HN 0.282 nan 8.210 nan 0.000 0.409 241 L N 0.646 121.850 121.223 -0.033 0.000 2.043 241 L HA -0.264 4.075 4.340 -0.001 0.000 0.212 241 L C 2.203 178.975 176.870 -0.165 0.000 1.075 241 L CA 2.034 56.755 54.840 -0.197 0.000 0.752 241 L CB -0.755 41.051 42.059 -0.421 0.000 0.891 241 L HN 0.319 nan 8.230 nan 0.000 0.432 242 N N -1.613 116.966 118.700 -0.202 0.000 2.106 242 N HA -0.259 4.481 4.740 -0.001 0.000 0.188 242 N C 1.821 177.354 175.510 0.038 0.000 1.029 242 N CA 1.176 54.124 53.050 -0.169 0.000 0.848 242 N CB -0.267 37.928 38.487 -0.487 0.000 1.007 242 N HN 0.258 nan 8.380 nan 0.000 0.423 243 Y N 2.104 122.407 120.300 0.004 0.000 2.069 243 Y HA -0.249 4.301 4.550 -0.001 0.000 0.278 243 Y C 1.813 177.808 175.900 0.159 0.000 1.175 243 Y CA 1.454 59.629 58.100 0.125 0.000 1.134 243 Y CB -0.691 37.829 38.460 0.100 0.000 0.965 243 Y HN 0.058 nan 8.280 nan 0.000 0.498 244 I N 0.540 120.919 120.570 -0.317 0.000 2.264 244 I HA -0.351 3.818 4.170 -0.001 0.000 0.248 244 I C 2.737 178.726 176.117 -0.212 0.000 1.111 244 I CA 1.298 62.341 61.300 -0.429 0.000 1.382 244 I CB -0.873 36.971 38.000 -0.260 0.000 1.060 244 I HN 0.389 nan 8.210 nan 0.000 0.418 245 A N 0.324 123.089 122.820 -0.092 0.000 1.877 245 A HA -0.308 4.011 4.320 -0.001 0.000 0.216 245 A C 2.222 179.847 177.584 0.069 0.000 1.186 245 A CA 2.182 54.236 52.037 0.029 0.000 0.620 245 A CB -1.034 18.029 19.000 0.105 0.000 0.822 245 A HN 0.543 nan 8.150 nan 0.000 0.443 246 H N -1.327 117.735 119.070 -0.013 0.000 2.352 246 H HA -0.243 4.312 4.556 -0.001 0.000 0.299 246 H C 1.937 177.276 175.328 0.019 0.000 1.097 246 H CA 2.428 58.492 56.048 0.027 0.000 1.311 246 H CB -0.442 29.383 29.762 0.104 0.000 1.377 246 H HN 0.729 nan 8.280 nan 0.000 0.504 247 H N -0.696 118.256 119.070 -0.196 0.000 2.421 247 H HA -0.048 4.508 4.556 -0.001 0.000 0.298 247 H C 2.187 177.407 175.328 -0.181 0.000 1.087 247 H CA 1.777 57.681 56.048 -0.241 0.000 1.330 247 H CB -0.112 29.386 29.762 -0.440 0.000 1.388 247 H HN 0.418 nan 8.280 nan 0.000 0.526 248 I N 0.049 120.618 120.570 -0.001 0.000 2.252 248 I HA -0.248 3.922 4.170 -0.001 0.000 0.245 248 I C 1.868 177.970 176.117 -0.024 0.000 1.102 248 I CA 0.685 61.990 61.300 0.008 0.000 1.385 248 I CB -0.103 37.909 38.000 0.020 0.000 1.064 248 I HN 0.354 nan 8.210 nan 0.000 0.414 249 I N 0.237 120.795 120.570 -0.020 0.000 2.163 249 I HA -0.232 3.937 4.170 -0.001 0.000 0.240 249 I C 2.653 178.707 176.117 -0.105 0.000 1.081 249 I CA 1.487 62.794 61.300 0.013 0.000 1.353 249 I CB -1.133 36.910 38.000 0.072 0.000 1.054 249 I HN 0.180 nan 8.210 nan 0.000 0.407 250 S N 0.804 116.333 115.700 -0.285 0.000 2.370 250 S HA -0.151 4.318 4.470 -0.001 0.000 0.226 250 S C 1.728 176.199 174.600 -0.214 0.000 1.033 250 S CA 1.931 59.947 58.200 -0.307 0.000 1.011 250 S CB -0.488 62.430 63.200 -0.471 0.000 0.852 250 S HN 0.546 nan 8.310 nan 0.000 0.457 251 T N 0.528 114.932 114.554 -0.250 0.000 3.169 251 T HA 0.370 4.719 4.350 -0.001 0.000 0.250 251 T C 1.203 175.850 174.700 -0.088 0.000 1.111 251 T CA 0.429 62.417 62.100 -0.186 0.000 1.010 251 T CB -0.191 68.528 68.868 -0.249 0.000 0.984 251 T HN 0.549 nan 8.240 nan 0.000 0.537 252 G N 2.591 111.355 108.800 -0.061 0.000 2.350 252 G HA2 -0.308 3.652 3.960 -0.001 0.000 0.298 252 G HA3 -0.308 3.652 3.960 -0.001 0.000 0.298 252 G C 0.318 175.224 174.900 0.010 0.000 1.037 252 G CA -0.253 44.844 45.100 -0.005 0.000 1.074 252 G HN 0.545 nan 8.290 nan 0.000 0.511 253 R N -0.666 119.840 120.500 0.011 0.000 2.748 253 R HA 0.322 4.661 4.340 -0.001 0.000 0.395 253 R C 0.605 176.924 176.300 0.032 0.000 1.128 253 R CA -0.426 55.684 56.100 0.018 0.000 1.042 253 R CB 0.938 31.242 30.300 0.007 0.000 1.392 253 R HN 0.281 nan 8.270 nan 0.000 0.582 254 V N 1.010 120.957 119.914 0.055 0.000 2.834 254 V HA 0.068 4.188 4.120 -0.001 0.000 0.301 254 V C 0.746 176.875 176.094 0.059 0.000 1.066 254 V CA -0.629 61.707 62.300 0.060 0.000 1.052 254 V CB 1.416 33.287 31.823 0.080 0.000 1.021 254 V HN 0.334 nan 8.190 nan 0.000 0.480 255 N N 2.631 121.371 118.700 0.066 0.000 2.767 255 N HA 0.186 4.926 4.740 -0.001 0.000 0.238 255 N C 1.136 176.729 175.510 0.138 0.000 1.083 255 N CA -0.211 52.897 53.050 0.098 0.000 0.964 255 N CB 0.411 38.954 38.487 0.093 0.000 1.252 255 N HN 0.545 nan 8.380 nan 0.000 0.512 256 R N 1.095 121.653 120.500 0.097 0.000 2.094 256 R HA -0.144 4.195 4.340 -0.001 0.000 0.239 256 R C 0.984 177.338 176.300 0.089 0.000 1.137 256 R CA 1.516 57.663 56.100 0.079 0.000 0.943 256 R CB 0.005 30.350 30.300 0.075 0.000 0.850 256 R HN 0.476 nan 8.270 nan 0.000 0.433 257 D N -0.289 120.172 120.400 0.101 0.000 2.203 257 D HA -0.204 4.436 4.640 -0.001 0.000 0.199 257 D C 1.552 177.920 176.300 0.114 0.000 0.997 257 D CA 1.188 55.240 54.000 0.087 0.000 0.863 257 D CB -0.105 40.754 40.800 0.097 0.000 0.928 257 D HN 0.142 nan 8.370 nan 0.000 0.458 258 F N 0.682 120.675 119.950 0.072 0.000 2.147 258 F HA -0.106 4.420 4.527 -0.001 0.000 0.291 258 F C 2.261 178.127 175.800 0.111 0.000 1.093 258 F CA 0.654 58.759 58.000 0.175 0.000 1.263 258 F CB -0.203 38.907 39.000 0.182 0.000 1.036 258 F HN -0.258 nan 8.300 nan 0.000 0.481 259 V N 0.490 120.537 119.914 0.223 0.000 2.343 259 V HA -0.283 3.836 4.120 -0.001 0.000 0.247 259 V C 1.981 178.047 176.094 -0.048 0.000 1.051 259 V CA 2.193 64.525 62.300 0.054 0.000 1.036 259 V CB -0.651 31.171 31.823 -0.003 0.000 0.654 259 V HN 0.305 nan 8.190 nan 0.000 0.451 260 D N -0.428 119.949 120.400 -0.038 0.000 2.117 260 D HA -0.134 4.506 4.640 -0.001 0.000 0.198 260 D C 2.366 178.585 176.300 -0.135 0.000 0.982 260 D CA 1.208 55.178 54.000 -0.049 0.000 0.828 260 D CB -0.174 40.612 40.800 -0.023 0.000 0.967 260 D HN 0.283 nan 8.370 nan 0.000 0.464 261 R N -0.451 119.895 120.500 -0.257 0.000 2.161 261 R HA -0.016 4.323 4.340 -0.001 0.000 0.213 261 R C 0.793 176.685 176.300 -0.681 0.000 1.055 261 R CA 0.737 56.549 56.100 -0.480 0.000 0.996 261 R CB 0.280 30.207 30.300 -0.620 0.000 0.901 261 R HN 0.275 nan 8.270 nan 0.000 0.456 262 H N -1.443 117.422 119.070 -0.341 0.000 2.662 262 H HA 0.284 4.839 4.556 -0.001 0.000 0.268 262 H C -0.417 174.761 175.328 -0.250 0.000 1.152 262 H CA -0.032 55.797 56.048 -0.365 0.000 1.072 262 H CB 1.269 30.580 29.762 -0.752 0.000 1.660 262 H HN -0.048 nan 8.280 nan 0.000 0.584 263 T N 0.945 115.405 114.554 -0.157 0.000 2.906 263 T HA 0.383 4.733 4.350 -0.001 0.000 0.295 263 T C -0.125 174.458 174.700 -0.196 0.000 1.075 263 T CA -0.719 61.247 62.100 -0.224 0.000 1.005 263 T CB 2.481 71.160 68.868 -0.315 0.000 1.136 263 T HN 0.141 nan 8.240 nan 0.000 0.498 264 N N -0.024 118.492 118.700 -0.307 0.000 2.509 264 N HA 0.724 5.463 4.740 -0.001 0.000 0.280 264 N C -1.507 173.799 175.510 -0.339 0.000 1.306 264 N CA -0.551 52.412 53.050 -0.145 0.000 0.782 264 N CB 1.457 39.875 38.487 -0.114 0.000 1.493 264 N HN 0.367 nan 8.380 nan 0.000 0.498 265 F N 0.185 120.050 119.950 -0.142 0.000 2.661 265 F HA 0.887 5.413 4.527 -0.001 0.000 0.347 265 F C 0.251 175.974 175.800 -0.129 0.000 1.086 265 F CA -0.571 57.326 58.000 -0.171 0.000 1.016 265 F CB 1.488 40.416 39.000 -0.119 0.000 1.368 265 F HN 0.531 nan 8.300 nan 0.000 0.505 266 A N 0.426 123.291 122.820 0.074 0.000 2.544 266 A HA 0.738 5.057 4.320 -0.001 0.000 0.291 266 A C -2.351 175.225 177.584 -0.013 0.000 1.055 266 A CA -0.697 51.338 52.037 -0.005 0.000 0.651 266 A CB 1.122 20.065 19.000 -0.094 0.000 1.296 266 A HN 0.639 nan 8.150 nan 0.000 0.431 267 L N 0.895 122.089 121.223 -0.048 0.000 2.386 267 L HA 0.682 5.022 4.340 -0.001 0.000 0.271 267 L C 0.697 177.480 176.870 -0.145 0.000 0.993 267 L CA -0.807 53.985 54.840 -0.080 0.000 0.819 267 L CB 2.176 44.210 42.059 -0.041 0.000 1.294 267 L HN 1.017 nan 8.230 nan 0.000 0.414 268 G N 1.210 109.861 108.800 -0.249 0.000 2.425 268 G HA2 0.559 4.519 3.960 -0.001 0.000 0.302 268 G HA3 0.559 4.519 3.960 -0.001 0.000 0.302 268 G C -0.152 174.660 174.900 -0.146 0.000 1.159 268 G CA -0.410 44.540 45.100 -0.250 0.000 0.865 268 G HN 0.744 nan 8.290 nan 0.000 0.515 269 A N 0.802 123.615 122.820 -0.012 0.000 2.520 269 A HA 0.419 4.738 4.320 -0.001 0.000 0.245 269 A C 1.590 179.252 177.584 0.129 0.000 1.072 269 A CA 0.699 52.766 52.037 0.051 0.000 0.761 269 A CB 0.112 19.159 19.000 0.079 0.000 1.004 269 A HN 1.191 nan 8.150 nan 0.000 0.499 270 T N -1.095 113.511 114.554 0.088 0.000 3.031 270 T HA 0.030 4.379 4.350 -0.001 0.000 0.254 270 T C 0.706 175.511 174.700 0.175 0.000 1.060 270 T CA 1.165 63.355 62.100 0.150 0.000 1.135 270 T CB -0.101 68.799 68.868 0.054 0.000 0.896 270 T HN 0.539 nan 8.240 nan 0.000 0.472 271 D N 0.691 121.147 120.400 0.093 0.000 2.706 271 D HA 0.325 4.964 4.640 -0.001 0.000 0.236 271 D C 0.092 176.390 176.300 -0.004 0.000 1.231 271 D CA -0.682 53.348 54.000 0.050 0.000 0.828 271 D CB -1.009 39.817 40.800 0.044 0.000 1.015 271 D HN 0.440 nan 8.370 nan 0.000 0.484 272 I N 0.146 120.709 120.570 -0.011 0.000 3.141 272 I HA 0.105 4.275 4.170 -0.001 0.000 0.295 272 I C 1.158 177.123 176.117 -0.253 0.000 1.252 272 I CA 0.681 61.918 61.300 -0.105 0.000 1.406 272 I CB 0.681 38.604 38.000 -0.128 0.000 1.333 272 I HN 0.246 nan 8.210 nan 0.000 0.594 273 G N 4.232 112.889 108.800 -0.238 0.000 2.883 273 G HA2 0.392 4.352 3.960 -0.001 0.000 0.285 273 G HA3 0.392 4.352 3.960 -0.001 0.000 0.285 273 G C -0.948 173.832 174.900 -0.199 0.000 1.526 273 G CA -0.490 44.454 45.100 -0.260 0.000 1.062 273 G HN 0.581 nan 8.290 nan 0.000 0.550 274 Y N 0.502 120.747 120.300 -0.092 0.000 3.093 274 Y HA -0.230 4.320 4.550 -0.001 0.000 0.232 274 Y C 1.905 177.742 175.900 -0.105 0.000 0.963 274 Y CA 0.616 58.650 58.100 -0.110 0.000 0.735 274 Y CB -0.943 37.451 38.460 -0.110 0.000 1.008 274 Y HN 0.779 nan 8.280 nan 0.000 0.396 275 G N 2.598 111.386 108.800 -0.019 0.000 2.082 275 G HA2 -0.068 3.892 3.960 -0.001 0.000 0.269 275 G HA3 -0.068 3.892 3.960 -0.001 0.000 0.269 275 G C 0.347 175.253 174.900 0.010 0.000 0.578 275 G CA 0.287 45.381 45.100 -0.009 0.000 1.011 275 G HN 0.608 nan 8.290 nan 0.000 0.395 276 L N -0.248 120.979 121.223 0.007 0.000 2.664 276 L HA 0.617 4.957 4.340 -0.001 0.000 0.253 276 L C 1.255 178.151 176.870 0.043 0.000 1.293 276 L CA -1.334 53.495 54.840 -0.019 0.000 1.280 276 L CB 0.715 42.688 42.059 -0.144 0.000 1.993 276 L HN 0.126 nan 8.230 nan 0.000 0.577 277 R N 1.024 121.558 120.500 0.057 0.000 2.410 277 R HA 0.295 4.635 4.340 -0.001 0.000 0.288 277 R C -2.380 173.978 176.300 0.097 0.000 1.051 277 R CA -1.616 54.532 56.100 0.081 0.000 1.021 277 R CB 0.795 31.145 30.300 0.084 0.000 1.032 277 R HN 0.251 nan 8.270 nan 0.000 0.481 278 P HA 0.072 nan 4.420 nan 0.000 0.271 278 P C -0.641 176.703 177.300 0.074 0.000 1.220 278 P CA 0.274 63.419 63.100 0.075 0.000 0.768 278 P CB 1.223 32.957 31.700 0.057 0.000 0.848 279 E N -1.273 118.974 120.200 0.078 0.000 3.376 279 E HA -0.112 4.237 4.350 -0.001 0.000 0.142 279 E C 0.394 177.031 176.600 0.060 0.000 0.601 279 E CA -0.016 56.418 56.400 0.056 0.000 2.970 279 E CB -1.302 28.430 29.700 0.052 0.000 1.416 279 E HN 0.625 nan 8.360 nan 0.000 0.768 280 H N 2.836 121.919 119.070 0.022 0.000 2.848 280 H HA 0.099 4.654 4.556 -0.001 0.000 0.341 280 H C 1.025 176.367 175.328 0.023 0.000 1.060 280 H CA 1.143 57.202 56.048 0.018 0.000 1.444 280 H CB 0.925 30.699 29.762 0.020 0.000 1.446 280 H HN 0.265 nan 8.280 nan 0.000 0.583 281 Q N 3.967 123.659 119.800 -0.181 0.000 2.014 281 Q HA -0.197 4.143 4.340 -0.001 0.000 0.207 281 Q C 2.481 178.558 176.000 0.130 0.000 0.993 281 Q CA 1.713 57.500 55.803 -0.027 0.000 0.850 281 Q CB -0.026 28.647 28.738 -0.108 0.000 0.916 281 Q HN 0.718 nan 8.270 nan 0.000 0.417 282 L N 0.771 122.163 121.223 0.281 0.000 2.211 282 L HA -0.287 4.053 4.340 -0.001 0.000 0.216 282 L C 2.553 179.561 176.870 0.231 0.000 1.092 282 L CA 1.332 56.333 54.840 0.268 0.000 0.767 282 L CB -0.486 41.745 42.059 0.286 0.000 0.894 282 L HN 0.322 nan 8.230 nan 0.000 0.437 283 Q N -0.613 119.309 119.800 0.202 0.000 2.163 283 Q HA -0.041 4.299 4.340 -0.001 0.000 0.198 283 Q C 2.431 178.486 176.000 0.093 0.000 0.954 283 Q CA 0.878 56.759 55.803 0.130 0.000 0.851 283 Q CB 0.024 28.832 28.738 0.118 0.000 0.928 283 Q HN 0.548 nan 8.270 nan 0.000 0.459 284 L N 0.500 121.775 121.223 0.087 0.000 2.012 284 L HA -0.172 4.167 4.340 -0.001 0.000 0.210 284 L C 2.534 179.438 176.870 0.057 0.000 1.073 284 L CA 1.292 56.168 54.840 0.059 0.000 0.748 284 L CB -0.796 41.289 42.059 0.045 0.000 0.891 284 L HN 0.148 nan 8.230 nan 0.000 0.431 285 A N 0.266 123.127 122.820 0.068 0.000 2.019 285 A HA -0.019 4.301 4.320 -0.001 0.000 0.219 285 A C 1.917 179.541 177.584 0.067 0.000 1.164 285 A CA 1.124 53.201 52.037 0.066 0.000 0.644 285 A CB -0.625 18.421 19.000 0.078 0.000 0.805 285 A HN 0.370 nan 8.150 nan 0.000 0.449 286 A N 0.810 123.675 122.820 0.073 0.000 2.863 286 A HA 0.252 4.572 4.320 -0.001 0.000 0.246 286 A C 0.294 177.899 177.584 0.036 0.000 1.772 286 A CA -0.215 51.854 52.037 0.052 0.000 1.456 286 A CB -1.117 17.908 19.000 0.041 0.000 0.930 286 A HN 0.499 nan 8.150 nan 0.000 0.630 287 K N 0.324 120.747 120.400 0.038 0.000 2.404 287 K HA 0.203 4.523 4.320 -0.001 0.000 0.271 287 K C 1.171 177.788 176.600 0.028 0.000 1.130 287 K CA 0.999 57.305 56.287 0.031 0.000 1.181 287 K CB -0.108 32.411 32.500 0.031 0.000 0.840 287 K HN 0.939 nan 8.250 nan 0.000 0.483 288 G N 1.656 110.472 108.800 0.026 0.000 2.168 288 G HA2 -0.253 3.707 3.960 -0.001 0.000 0.197 288 G HA3 -0.253 3.707 3.960 -0.001 0.000 0.197 288 G C 0.756 175.668 174.900 0.020 0.000 0.997 288 G CA -0.044 45.071 45.100 0.025 0.000 0.658 288 G HN 0.659 nan 8.290 nan 0.000 0.513 289 A N 0.127 122.956 122.820 0.015 0.000 2.119 289 A HA 0.615 4.935 4.320 -0.001 0.000 0.216 289 A C 2.577 180.170 177.584 0.016 0.000 1.152 289 A CA 1.866 53.906 52.037 0.005 0.000 0.708 289 A CB -0.405 18.600 19.000 0.007 0.000 0.805 289 A HN 1.683 nan 8.150 nan 0.000 0.460 290 A N -0.581 122.252 122.820 0.023 0.000 2.015 290 A HA -0.066 4.254 4.320 -0.001 0.000 0.219 290 A C 1.793 179.393 177.584 0.027 0.000 1.163 290 A CA 1.693 53.747 52.037 0.028 0.000 0.646 290 A CB -0.184 18.833 19.000 0.028 0.000 0.806 290 A HN 0.490 nan 8.150 nan 0.000 0.448 291 D N -1.306 119.109 120.400 0.025 0.000 2.685 291 D HA 0.410 5.049 4.640 -0.001 0.000 0.257 291 D C 0.525 176.841 176.300 0.027 0.000 1.472 291 D CA 1.378 55.394 54.000 0.027 0.000 1.125 291 D CB 0.181 40.997 40.800 0.027 0.000 0.969 291 D HN 0.848 nan 8.370 nan 0.000 0.281 292 A N -1.197 121.645 122.820 0.037 0.000 2.109 292 A HA 0.301 4.621 4.320 -0.001 0.000 0.556 292 A C 0.913 178.531 177.584 0.056 0.000 0.434 292 A CA 1.428 53.494 52.037 0.048 0.000 0.334 292 A CB -1.804 17.200 19.000 0.007 0.000 3.228 292 A HN 1.379 nan 8.150 nan 0.000 0.445 293 G N -0.159 108.698 108.800 0.095 0.000 2.134 293 G HA2 0.358 4.317 3.960 -0.001 0.000 0.209 293 G HA3 0.358 4.317 3.960 -0.001 0.000 0.209 293 G C 0.832 175.759 174.900 0.044 0.000 0.993 293 G CA 0.979 46.128 45.100 0.081 0.000 0.669 293 G HN 2.732 nan 8.290 nan 0.000 0.519 294 A N 0.137 122.979 122.820 0.036 0.000 2.401 294 A HA 0.789 5.109 4.320 -0.001 0.000 0.259 294 A C 1.269 178.846 177.584 -0.012 0.000 1.103 294 A CA 0.429 52.474 52.037 0.014 0.000 0.789 294 A CB 0.349 19.358 19.000 0.015 0.000 1.035 294 A HN 0.232 nan 8.150 nan 0.000 0.491 295 M N 1.154 120.742 119.600 -0.021 0.000 2.508 295 M HA 0.130 4.609 4.480 -0.001 0.000 0.238 295 M C 0.994 177.269 176.300 -0.042 0.000 1.210 295 M CA 2.123 57.395 55.300 -0.048 0.000 1.231 295 M CB -1.700 30.872 32.600 -0.046 0.000 1.201 295 M HN 1.368 nan 8.290 nan 0.000 0.491 296 T N 0.098 114.637 114.554 -0.025 0.000 1.309 296 T HA -0.059 4.290 4.350 -0.001 0.000 0.685 296 T C -2.729 171.963 174.700 -0.014 0.000 0.967 296 T CA -0.578 61.512 62.100 -0.016 0.000 3.630 296 T CB -1.834 67.026 68.868 -0.014 0.000 2.070 296 T HN 0.058 nan 8.240 nan 0.000 0.393 297 P HA 0.407 nan 4.420 nan 0.000 0.272 297 P C 0.857 178.173 177.300 0.026 0.000 1.243 297 P CA 0.139 63.246 63.100 0.012 0.000 0.803 297 P CB 0.517 32.224 31.700 0.012 0.000 0.974 298 T N -2.635 111.952 114.554 0.056 0.000 2.630 298 T HA 0.351 4.700 4.350 -0.001 0.000 0.225 298 T C -1.274 173.446 174.700 0.034 0.000 0.897 298 T CA -0.389 61.740 62.100 0.048 0.000 1.316 298 T CB 0.298 69.207 68.868 0.067 0.000 1.743 298 T HN 0.352 nan 8.240 nan 0.000 0.436 299 D N -0.708 119.688 120.400 -0.008 0.000 2.753 299 D HA 0.370 5.009 4.640 -0.001 0.000 0.224 299 D C -0.195 175.935 176.300 -0.284 0.000 1.213 299 D CA -0.558 53.386 54.000 -0.093 0.000 0.833 299 D CB 2.374 43.130 40.800 -0.073 0.000 1.607 299 D HN 0.291 nan 8.370 nan 0.000 0.463 300 F N 2.962 122.515 119.950 -0.663 0.000 2.161 300 F HA -0.138 4.389 4.527 -0.001 0.000 0.300 300 F C 1.803 177.346 175.800 -0.430 0.000 1.089 300 F CA 1.664 59.034 58.000 -1.050 0.000 1.282 300 F CB -0.064 38.541 39.000 -0.657 0.000 1.010 300 F HN 0.361 nan 8.300 nan 0.000 0.485 301 E N -0.092 119.893 120.200 -0.358 0.000 2.077 301 E HA -0.165 4.185 4.350 -0.001 0.000 0.193 301 E C 2.162 178.650 176.600 -0.186 0.000 0.989 301 E CA 1.892 58.070 56.400 -0.370 0.000 0.800 301 E CB -1.243 28.299 29.700 -0.264 0.000 0.746 301 E HN 0.394 nan 8.360 nan 0.000 0.452 302 T N 1.564 116.059 114.554 -0.098 0.000 2.777 302 T HA -0.112 4.238 4.350 -0.001 0.000 0.266 302 T C 1.601 176.316 174.700 0.025 0.000 1.040 302 T CA 1.101 63.180 62.100 -0.035 0.000 1.141 302 T CB -0.475 68.386 68.868 -0.011 0.000 0.868 302 T HN 0.147 nan 8.240 nan 0.000 0.444 303 F N 2.715 122.640 119.950 -0.043 0.000 2.026 303 F HA -0.071 4.456 4.527 -0.001 0.000 0.296 303 F C 2.561 178.407 175.800 0.077 0.000 1.133 303 F CA 1.267 59.305 58.000 0.064 0.000 1.188 303 F CB -0.990 38.138 39.000 0.213 0.000 0.968 303 F HN 0.151 nan 8.300 nan 0.000 0.476 304 A N 0.633 123.513 122.820 0.100 0.000 1.940 304 A HA -0.260 4.060 4.320 -0.001 0.000 0.221 304 A C 2.395 179.920 177.584 -0.097 0.000 1.190 304 A CA 2.612 54.642 52.037 -0.012 0.000 0.647 304 A CB -1.782 17.200 19.000 -0.030 0.000 0.821 304 A HN 0.665 nan 8.150 nan 0.000 0.457 305 A N -1.083 121.677 122.820 -0.099 0.000 1.969 305 A HA 0.081 4.400 4.320 -0.001 0.000 0.218 305 A C 2.095 179.616 177.584 -0.105 0.000 1.169 305 A CA 1.627 53.612 52.037 -0.086 0.000 0.635 305 A CB -0.467 18.483 19.000 -0.084 0.000 0.810 305 A HN 0.814 nan 8.150 nan 0.000 0.445 306 L N 0.045 121.184 121.223 -0.139 0.000 2.072 306 L HA -0.038 4.301 4.340 -0.001 0.000 0.205 306 L C 2.096 178.894 176.870 -0.120 0.000 1.079 306 L CA 1.937 56.696 54.840 -0.134 0.000 0.752 306 L CB -0.527 41.454 42.059 -0.130 0.000 0.906 306 L HN 0.122 nan 8.230 nan 0.000 0.436 307 V N -0.495 119.298 119.914 -0.202 0.000 3.141 307 V HA -0.123 3.996 4.120 -0.001 0.000 0.265 307 V C 2.390 178.511 176.094 0.045 0.000 1.126 307 V CA 1.331 63.594 62.300 -0.061 0.000 1.141 307 V CB -1.068 30.590 31.823 -0.274 0.000 0.743 307 V HN 0.496 nan 8.190 nan 0.000 0.492 308 S N 0.179 115.867 115.700 -0.020 0.000 2.402 308 S HA -0.215 4.255 4.470 -0.001 0.000 0.229 308 S C 1.928 176.343 174.600 -0.308 0.000 1.021 308 S CA 1.361 59.499 58.200 -0.103 0.000 0.974 308 S CB -0.218 62.977 63.200 -0.009 0.000 0.800 308 S HN 0.776 nan 8.310 nan 0.000 0.484 309 E N 0.641 120.655 120.200 -0.310 0.000 2.160 309 E HA -0.173 4.176 4.350 -0.001 0.000 0.195 309 E C -0.375 175.917 176.600 -0.514 0.000 0.991 309 E CA 0.838 56.971 56.400 -0.446 0.000 0.810 309 E CB -0.063 29.274 29.700 -0.605 0.000 0.742 309 E HN 0.598 nan 8.360 nan 0.000 0.466 310 Y N 1.837 122.040 120.300 -0.162 0.000 2.636 310 Y HA 0.150 4.699 4.550 -0.001 0.000 0.334 310 Y C 0.027 175.832 175.900 -0.159 0.000 1.286 310 Y CA -0.307 57.726 58.100 -0.111 0.000 1.688 310 Y CB -0.183 38.261 38.460 -0.027 0.000 1.662 310 Y HN -0.155 nan 8.280 nan 0.000 0.465 311 T N 1.342 115.820 114.554 -0.126 0.000 2.860 311 T HA -0.007 4.342 4.350 -0.001 0.000 0.299 311 T C 1.422 176.065 174.700 -0.094 0.000 1.045 311 T CA -0.699 61.324 62.100 -0.129 0.000 1.071 311 T CB 1.076 69.877 68.868 -0.111 0.000 0.985 311 T HN 0.551 nan 8.240 nan 0.000 0.537 312 L N 1.096 122.240 121.223 -0.133 0.000 2.042 312 L HA -0.097 4.242 4.340 -0.001 0.000 0.210 312 L C 2.182 178.870 176.870 -0.303 0.000 1.076 312 L CA 1.922 56.411 54.840 -0.585 0.000 0.749 312 L CB -0.897 40.947 42.059 -0.358 0.000 0.893 312 L HN 0.617 nan 8.230 nan 0.000 0.432 313 E N -0.212 119.903 120.200 -0.141 0.000 2.153 313 E HA -0.222 4.128 4.350 -0.001 0.000 0.194 313 E C 2.186 178.738 176.600 -0.080 0.000 0.988 313 E CA 1.439 57.786 56.400 -0.089 0.000 0.811 313 E CB -0.174 29.497 29.700 -0.050 0.000 0.746 313 E HN 0.571 nan 8.360 nan 0.000 0.466 314 K N -0.167 120.184 120.400 -0.081 0.000 2.067 314 K HA 0.077 4.396 4.320 -0.001 0.000 0.203 314 K C 2.061 178.643 176.600 -0.030 0.000 1.048 314 K CA 0.854 57.111 56.287 -0.050 0.000 0.954 314 K CB -0.085 32.383 32.500 -0.053 0.000 0.737 314 K HN 0.105 nan 8.250 nan 0.000 0.444 315 A N 1.456 124.254 122.820 -0.038 0.000 1.873 315 A HA -0.206 4.114 4.320 -0.001 0.000 0.218 315 A C 2.383 179.935 177.584 -0.054 0.000 1.193 315 A CA 2.246 54.268 52.037 -0.026 0.000 0.629 315 A CB -1.178 17.786 19.000 -0.060 0.000 0.826 315 A HN 0.487 nan 8.150 nan 0.000 0.447 316 A N 0.063 122.823 122.820 -0.100 0.000 1.917 316 A HA -0.237 4.083 4.320 -0.001 0.000 0.219 316 A C 1.981 179.554 177.584 -0.019 0.000 1.182 316 A CA 2.412 54.414 52.037 -0.058 0.000 0.633 316 A CB -0.653 18.301 19.000 -0.077 0.000 0.819 316 A HN 0.756 nan 8.150 nan 0.000 0.448 317 E N 0.569 120.755 120.200 -0.024 0.000 2.085 317 E HA -0.187 4.162 4.350 -0.001 0.000 0.194 317 E C 1.665 178.268 176.600 0.005 0.000 0.994 317 E CA 1.953 58.350 56.400 -0.005 0.000 0.801 317 E CB -0.522 29.172 29.700 -0.010 0.000 0.743 317 E HN 0.674 nan 8.360 nan 0.000 0.453 318 I N 0.674 121.235 120.570 -0.015 0.000 2.286 318 I HA -0.176 3.993 4.170 -0.001 0.000 0.245 318 I C 2.306 178.427 176.117 0.008 0.000 1.104 318 I CA 1.111 62.387 61.300 -0.039 0.000 1.397 318 I CB -0.462 37.442 38.000 -0.160 0.000 1.072 318 I HN 0.116 nan 8.210 nan 0.000 0.417 319 S N 0.826 116.545 115.700 0.032 0.000 2.325 319 S HA 0.162 4.631 4.470 -0.001 0.000 0.214 319 S C 1.768 176.441 174.600 0.121 0.000 1.031 319 S CA 0.811 59.078 58.200 0.112 0.000 0.972 319 S CB -0.448 62.832 63.200 0.132 0.000 0.908 319 S HN 0.616 nan 8.310 nan 0.000 0.453 320 G N 0.721 109.572 108.800 0.085 0.000 2.164 320 G HA2 -0.120 3.840 3.960 -0.001 0.000 0.154 320 G HA3 -0.120 3.840 3.960 -0.001 0.000 0.154 320 G C -0.066 174.876 174.900 0.071 0.000 1.014 320 G CA -0.282 44.863 45.100 0.075 0.000 0.683 320 G HN 0.987 nan 8.290 nan 0.000 0.500 321 V N -1.263 118.695 119.914 0.073 0.000 2.481 321 V HA 0.719 4.839 4.120 -0.001 0.000 0.286 321 V C 0.458 176.574 176.094 0.036 0.000 1.042 321 V CA -1.584 60.756 62.300 0.067 0.000 0.928 321 V CB 1.765 33.641 31.823 0.088 0.000 0.986 321 V HN 0.195 nan 8.190 nan 0.000 0.462 322 E N 5.886 126.107 120.200 0.035 0.000 2.417 322 E HA 0.092 4.442 4.350 -0.001 0.000 0.261 322 E C -1.395 175.213 176.600 0.012 0.000 1.000 322 E CA -1.352 55.061 56.400 0.022 0.000 0.919 322 E CB 1.212 30.929 29.700 0.028 0.000 0.955 322 E HN 0.577 nan 8.360 nan 0.000 0.455 323 P HA -0.265 nan 4.420 nan 0.000 0.217 323 P C 1.067 178.369 177.300 0.003 0.000 1.151 323 P CA 1.642 64.722 63.100 -0.034 0.000 0.849 323 P CB 0.192 31.865 31.700 -0.045 0.000 0.787 324 A N -0.530 122.304 122.820 0.022 0.000 1.948 324 A HA -0.189 4.130 4.320 -0.001 0.000 0.220 324 A C 2.219 179.831 177.584 0.047 0.000 1.177 324 A CA 1.632 53.692 52.037 0.038 0.000 0.636 324 A CB -1.402 17.620 19.000 0.036 0.000 0.815 324 A HN 0.110 nan 8.150 nan 0.000 0.449 325 L N -1.280 119.971 121.223 0.046 0.000 2.072 325 L HA -0.034 4.306 4.340 -0.001 0.000 0.205 325 L C 2.226 179.141 176.870 0.074 0.000 1.079 325 L CA 1.188 56.062 54.840 0.056 0.000 0.752 325 L CB -0.958 41.134 42.059 0.056 0.000 0.906 325 L HN 0.252 nan 8.230 nan 0.000 0.436 326 L N -0.645 120.628 121.223 0.084 0.000 2.191 326 L HA -0.160 4.179 4.340 -0.001 0.000 0.212 326 L C 2.476 179.492 176.870 0.243 0.000 1.103 326 L CA 1.384 56.328 54.840 0.173 0.000 0.769 326 L CB -0.857 41.255 42.059 0.088 0.000 0.908 326 L HN 0.348 nan 8.230 nan 0.000 0.438 327 E N -0.640 119.643 120.200 0.137 0.000 2.152 327 E HA -0.170 4.179 4.350 -0.001 0.000 0.192 327 E C 1.978 178.575 176.600 -0.005 0.000 0.983 327 E CA 0.647 57.097 56.400 0.084 0.000 0.818 327 E CB 0.183 29.942 29.700 0.099 0.000 0.758 327 E HN 0.587 nan 8.360 nan 0.000 0.467 328 E N 0.479 120.695 120.200 0.027 0.000 2.047 328 E HA -0.167 4.182 4.350 -0.001 0.000 0.191 328 E C 2.122 178.709 176.600 -0.023 0.000 0.987 328 E CA 0.428 56.835 56.400 0.012 0.000 0.799 328 E CB 0.036 29.762 29.700 0.044 0.000 0.752 328 E HN 0.044 nan 8.360 nan 0.000 0.449 329 L N 1.079 122.313 121.223 0.018 0.000 1.937 329 L HA -0.197 4.143 4.340 -0.001 0.000 0.213 329 L C 2.324 179.144 176.870 -0.084 0.000 1.077 329 L CA 2.203 57.060 54.840 0.028 0.000 0.758 329 L CB -0.986 41.144 42.059 0.118 0.000 0.888 329 L HN 0.082 nan 8.230 nan 0.000 0.433 330 A N -0.793 121.959 122.820 -0.112 0.000 1.916 330 A HA -0.377 3.942 4.320 -0.001 0.000 0.224 330 A C 2.171 179.552 177.584 -0.338 0.000 1.366 330 A CA 2.491 54.317 52.037 -0.351 0.000 0.692 330 A CB -1.065 17.431 19.000 -0.839 0.000 0.841 330 A HN 0.634 nan 8.150 nan 0.000 0.480 331 E N -0.930 119.077 120.200 -0.320 0.000 2.085 331 E HA -0.180 4.170 4.350 -0.001 0.000 0.194 331 E C 2.033 178.465 176.600 -0.281 0.000 0.994 331 E CA 1.181 57.466 56.400 -0.192 0.000 0.801 331 E CB -0.446 29.196 29.700 -0.096 0.000 0.743 331 E HN 0.476 nan 8.360 nan 0.000 0.453 332 L N -0.036 120.904 121.223 -0.472 0.000 1.989 332 L HA -0.193 4.146 4.340 -0.001 0.000 0.211 332 L C 2.249 178.398 176.870 -1.202 0.000 1.071 332 L CA 1.594 55.875 54.840 -0.932 0.000 0.749 332 L CB -1.281 39.902 42.059 -1.460 0.000 0.890 332 L HN 0.229 nan 8.230 nan 0.000 0.431 333 Y N -1.255 118.291 120.300 -1.257 0.000 2.736 333 Y HA -0.176 4.374 4.550 -0.001 0.000 0.298 333 Y C 2.000 177.638 175.900 -0.436 0.000 1.156 333 Y CA 0.631 58.183 58.100 -0.914 0.000 1.384 333 Y CB -0.039 38.082 38.460 -0.566 0.000 0.976 333 Y HN 0.241 nan 8.280 nan 0.000 0.556 334 A N -0.720 121.969 122.820 -0.217 0.000 2.009 334 A HA 0.080 4.400 4.320 -0.001 0.000 0.197 334 A C 0.130 177.679 177.584 -0.059 0.000 1.471 334 A CA 0.085 52.073 52.037 -0.082 0.000 0.973 334 A CB -0.360 18.638 19.000 -0.003 0.000 1.020 334 A HN 0.375 nan 8.150 nan 0.000 0.476 335 D N 2.001 122.357 120.400 -0.074 0.000 2.426 335 D HA 0.136 4.776 4.640 -0.001 0.000 0.261 335 D C -1.996 174.291 176.300 -0.022 0.000 1.245 335 D CA -0.931 53.050 54.000 -0.031 0.000 0.917 335 D CB 0.270 41.057 40.800 -0.021 0.000 1.123 335 D HN 0.225 nan 8.370 nan 0.000 0.508 336 P HA -0.068 nan 4.420 nan 0.000 0.301 336 P C -0.503 176.798 177.300 0.002 0.000 1.560 336 P CA 0.407 63.506 63.100 -0.003 0.000 0.784 336 P CB 0.367 32.068 31.700 0.001 0.000 1.715 337 D N -1.323 119.082 120.400 0.007 0.000 2.267 337 D HA 0.081 4.720 4.640 -0.001 0.000 0.297 337 D C 0.651 176.971 176.300 0.034 0.000 1.087 337 D CA -0.117 53.888 54.000 0.008 0.000 0.864 337 D CB 0.174 40.971 40.800 -0.006 0.000 1.557 337 D HN -0.010 nan 8.370 nan 0.000 0.523 338 R N 1.670 122.207 120.500 0.062 0.000 2.404 338 R HA 0.123 4.462 4.340 -0.001 0.000 0.315 338 R C -0.261 176.152 176.300 0.188 0.000 1.032 338 R CA 0.284 56.477 56.100 0.154 0.000 0.992 338 R CB 0.243 30.652 30.300 0.182 0.000 0.959 338 R HN -0.185 nan 8.270 nan 0.000 0.428 339 K N 4.646 125.132 120.400 0.143 0.000 2.292 339 K HA 0.002 4.322 4.320 -0.001 0.000 0.290 339 K C -0.421 176.264 176.600 0.141 0.000 1.083 339 K CA -0.073 56.274 56.287 0.100 0.000 0.918 339 K CB 0.677 33.174 32.500 -0.005 0.000 1.089 339 K HN 0.473 nan 8.250 nan 0.000 0.473 340 W N 4.408 125.660 121.300 -0.080 0.000 2.161 340 W HA 0.193 4.853 4.660 -0.001 0.000 0.344 340 W C -0.033 176.491 176.519 0.009 0.000 1.262 340 W CA -0.490 56.781 57.345 -0.124 0.000 1.270 340 W CB 1.297 30.609 29.460 -0.246 0.000 1.126 340 W HN 0.268 nan 8.180 nan 0.000 0.598 341 M N 4.469 123.736 119.600 -0.555 0.000 2.106 341 M HA 0.120 4.600 4.480 -0.001 0.000 0.241 341 M C -1.217 175.019 176.300 -0.108 0.000 0.946 341 M CA -0.042 55.105 55.300 -0.255 0.000 1.024 341 M CB 0.845 33.128 32.600 -0.528 0.000 2.191 341 M HN 0.145 nan 8.290 nan 0.000 0.429 342 S N 4.561 120.443 115.700 0.304 0.000 2.523 342 S HA 0.724 5.193 4.470 -0.001 0.000 0.275 342 S C -0.346 174.597 174.600 0.571 0.000 1.281 342 S CA -0.529 58.034 58.200 0.605 0.000 1.050 342 S CB 1.173 65.030 63.200 1.095 0.000 0.937 342 S HN 0.648 nan 8.310 nan 0.000 0.492 343 L N 2.958 124.517 121.223 0.560 0.000 2.381 343 L HA 0.804 5.143 4.340 -0.001 0.000 0.268 343 L C -1.014 176.143 176.870 0.479 0.000 0.997 343 L CA -0.528 54.529 54.840 0.362 0.000 0.818 343 L CB 1.558 43.777 42.059 0.267 0.000 1.310 343 L HN 0.937 nan 8.230 nan 0.000 0.416 344 W N 1.468 122.830 121.300 0.103 0.000 3.372 344 W HA 0.819 5.479 4.660 -0.001 0.000 0.315 344 W C -1.049 175.485 176.519 0.025 0.000 1.223 344 W CA -0.493 56.838 57.345 -0.023 0.000 1.202 344 W CB 0.835 30.164 29.460 -0.218 0.000 1.367 344 W HN 0.378 nan 8.180 nan 0.000 0.531 345 T N 1.564 116.228 114.554 0.185 0.000 2.412 345 T HA 0.167 4.516 4.350 -0.001 0.000 0.202 345 T C 1.380 176.251 174.700 0.285 0.000 0.848 345 T CA -0.560 61.641 62.100 0.168 0.000 1.196 345 T CB 0.034 68.980 68.868 0.131 0.000 2.323 345 T HN 0.484 nan 8.240 nan 0.000 0.482 346 M N 1.522 121.275 119.600 0.256 0.000 2.435 346 M HA 0.037 4.516 4.480 -0.001 0.000 0.262 346 M C 2.369 178.859 176.300 0.317 0.000 1.065 346 M CA 1.042 56.513 55.300 0.284 0.000 1.076 346 M CB -1.948 30.797 32.600 0.242 0.000 1.403 346 M HN 0.763 nan 8.290 nan 0.000 0.454 347 G N -0.167 108.810 108.800 0.295 0.000 2.469 347 G HA2 -0.220 3.739 3.960 -0.001 0.000 0.219 347 G HA3 -0.220 3.739 3.960 -0.001 0.000 0.219 347 G C 1.300 176.524 174.900 0.540 0.000 1.150 347 G CA 0.566 45.866 45.100 0.333 0.000 0.763 347 G HN 0.311 nan 8.290 nan 0.000 0.561 348 F N 0.995 121.151 119.950 0.343 0.000 2.317 348 F HA 0.174 4.701 4.527 -0.001 0.000 0.293 348 F C 2.348 178.286 175.800 0.230 0.000 1.085 348 F CA 0.320 58.466 58.000 0.244 0.000 1.390 348 F CB -0.680 38.354 39.000 0.056 0.000 1.077 348 F HN 0.073 nan 8.300 nan 0.000 0.517 349 N N 0.095 119.081 118.700 0.476 0.000 2.216 349 N HA -0.108 4.631 4.740 -0.001 0.000 0.183 349 N C 0.571 176.259 175.510 0.297 0.000 1.017 349 N CA 0.799 54.057 53.050 0.346 0.000 0.861 349 N CB -0.321 38.372 38.487 0.343 0.000 0.986 349 N HN 0.306 nan 8.380 nan 0.000 0.428 350 Q N 0.416 120.408 119.800 0.320 0.000 3.041 350 Q HA 0.115 4.454 4.340 -0.001 0.000 0.372 350 Q C -0.785 175.359 176.000 0.240 0.000 1.241 350 Q CA -0.046 55.921 55.803 0.274 0.000 1.010 350 Q CB 0.160 29.102 28.738 0.341 0.000 1.467 350 Q HN 0.287 nan 8.270 nan 0.000 0.462 351 H N 0.546 119.683 119.070 0.112 0.000 2.689 351 H HA 0.110 4.665 4.556 -0.001 0.000 0.346 351 H C 0.838 176.155 175.328 -0.019 0.000 1.037 351 H CA -0.672 55.420 56.048 0.072 0.000 1.234 351 H CB 1.853 31.670 29.762 0.093 0.000 1.572 351 H HN 0.187 nan 8.280 nan 0.000 0.524 352 V N 2.934 122.973 119.914 0.210 0.000 3.140 352 V HA 0.022 4.141 4.120 -0.001 0.000 0.269 352 V C 0.928 176.938 176.094 -0.139 0.000 1.149 352 V CA 1.211 63.545 62.300 0.056 0.000 1.162 352 V CB -0.478 31.431 31.823 0.144 0.000 0.756 352 V HN 0.448 nan 8.190 nan 0.000 0.523 353 R N 0.242 120.694 120.500 -0.079 0.000 2.734 353 R HA 0.375 4.714 4.340 -0.001 0.000 0.395 353 R C 1.511 177.486 176.300 -0.542 0.000 1.096 353 R CA 0.479 56.242 56.100 -0.561 0.000 1.071 353 R CB 0.522 30.461 30.300 -0.602 0.000 1.348 353 R HN 0.466 nan 8.270 nan 0.000 0.600 354 G N 0.163 108.794 108.800 -0.282 0.000 2.421 354 G HA2 -0.192 3.767 3.960 -0.001 0.000 0.216 354 G HA3 -0.192 3.767 3.960 -0.001 0.000 0.216 354 G C 1.300 176.072 174.900 -0.212 0.000 1.171 354 G CA 0.629 45.605 45.100 -0.205 0.000 0.775 354 G HN 0.145 nan 8.290 nan 0.000 0.543 355 V N -0.172 119.671 119.914 -0.120 0.000 2.324 355 V HA -0.202 3.917 4.120 -0.001 0.000 0.250 355 V C 2.596 178.764 176.094 0.124 0.000 1.060 355 V CA 1.830 64.126 62.300 -0.008 0.000 1.042 355 V CB -0.576 31.294 31.823 0.078 0.000 0.650 355 V HN 0.517 nan 8.190 nan 0.000 0.450 356 W N 0.104 121.315 121.300 -0.149 0.000 2.358 356 W HA -0.090 4.570 4.660 -0.001 0.000 0.303 356 W C 2.713 179.004 176.519 -0.380 0.000 1.208 356 W CA 1.229 58.471 57.345 -0.170 0.000 1.274 356 W CB -1.517 27.808 29.460 -0.224 0.000 1.138 356 W HN 0.277 nan 8.180 nan 0.000 0.515 357 A N 0.491 123.059 122.820 -0.420 0.000 1.865 357 A HA -0.251 4.069 4.320 -0.001 0.000 0.217 357 A C 2.068 178.984 177.584 -1.113 0.000 1.191 357 A CA 1.935 53.359 52.037 -1.023 0.000 0.623 357 A CB -1.146 16.925 19.000 -1.549 0.000 0.826 357 A HN 0.355 nan 8.150 nan 0.000 0.444 358 N N -1.138 117.071 118.700 -0.817 0.000 2.036 358 N HA -0.216 4.524 4.740 -0.001 0.000 0.195 358 N C 1.732 176.874 175.510 -0.614 0.000 1.037 358 N CA 1.709 54.289 53.050 -0.784 0.000 0.855 358 N CB -0.495 37.776 38.487 -0.360 0.000 1.033 358 N HN 0.580 nan 8.380 nan 0.000 0.423 359 H N 1.188 120.104 119.070 -0.255 0.000 2.265 359 H HA -0.111 4.445 4.556 -0.001 0.000 0.293 359 H C 2.337 177.524 175.328 -0.235 0.000 1.089 359 H CA 1.432 57.407 56.048 -0.121 0.000 1.244 359 H CB -0.374 29.317 29.762 -0.119 0.000 1.355 359 H HN 0.298 nan 8.280 nan 0.000 0.485 360 M N 0.240 119.703 119.600 -0.228 0.000 2.144 360 M HA -0.166 4.314 4.480 -0.001 0.000 0.260 360 M C 2.530 178.587 176.300 -0.405 0.000 1.067 360 M CA 1.475 56.591 55.300 -0.307 0.000 1.095 360 M CB -0.364 31.994 32.600 -0.404 0.000 1.365 360 M HN 0.065 nan 8.290 nan 0.000 0.406 361 V N -1.556 117.976 119.914 -0.638 0.000 2.358 361 V HA -0.252 3.868 4.120 -0.001 0.000 0.246 361 V C 1.962 177.937 176.094 -0.200 0.000 1.047 361 V CA 1.679 63.627 62.300 -0.587 0.000 1.035 361 V CB -1.530 29.722 31.823 -0.951 0.000 0.658 361 V HN 0.362 nan 8.190 nan 0.000 0.452 362 Y N 1.384 121.612 120.300 -0.120 0.000 2.165 362 Y HA -0.200 4.350 4.550 -0.001 0.000 0.286 362 Y C 2.809 178.728 175.900 0.032 0.000 1.155 362 Y CA 1.529 59.663 58.100 0.057 0.000 1.164 362 Y CB -0.533 37.920 38.460 -0.011 0.000 0.978 362 Y HN 0.279 nan 8.280 nan 0.000 0.513 363 N N 0.568 119.304 118.700 0.060 0.000 2.036 363 N HA -0.206 4.533 4.740 -0.001 0.000 0.195 363 N C 1.812 177.321 175.510 -0.001 0.000 1.037 363 N CA 1.608 54.639 53.050 -0.032 0.000 0.855 363 N CB -0.850 37.617 38.487 -0.035 0.000 1.033 363 N HN 0.330 nan 8.380 nan 0.000 0.423 364 L N 0.116 121.307 121.223 -0.054 0.000 2.043 364 L HA -0.213 4.127 4.340 -0.001 0.000 0.212 364 L C 2.276 179.109 176.870 -0.063 0.000 1.075 364 L CA 1.289 56.043 54.840 -0.145 0.000 0.752 364 L CB -0.642 41.136 42.059 -0.469 0.000 0.891 364 L HN 0.372 nan 8.230 nan 0.000 0.432 365 H N -0.059 119.089 119.070 0.131 0.000 2.333 365 H HA -0.040 4.516 4.556 -0.001 0.000 0.302 365 H C 2.461 177.845 175.328 0.093 0.000 1.075 365 H CA 1.360 57.525 56.048 0.195 0.000 1.348 365 H CB -0.001 29.952 29.762 0.318 0.000 1.393 365 H HN 0.293 nan 8.280 nan 0.000 0.509 366 L N 0.218 121.578 121.223 0.228 0.000 1.989 366 L HA -0.217 4.123 4.340 -0.001 0.000 0.211 366 L C 2.525 179.477 176.870 0.138 0.000 1.071 366 L CA 0.638 55.606 54.840 0.214 0.000 0.749 366 L CB -0.467 41.631 42.059 0.064 0.000 0.890 366 L HN 0.138 nan 8.230 nan 0.000 0.431 367 L N -0.119 121.126 121.223 0.037 0.000 2.081 367 L HA -0.205 4.135 4.340 -0.001 0.000 0.212 367 L C 2.665 179.552 176.870 0.029 0.000 1.080 367 L CA 2.448 57.305 54.840 0.028 0.000 0.754 367 L CB -1.288 40.793 42.059 0.037 0.000 0.893 367 L HN 0.512 nan 8.230 nan 0.000 0.433 368 T N -5.119 109.424 114.554 -0.017 0.000 3.044 368 T HA 0.333 4.683 4.350 -0.001 0.000 0.250 368 T C 1.411 176.008 174.700 -0.171 0.000 1.081 368 T CA 0.392 62.461 62.100 -0.052 0.000 1.040 368 T CB 0.168 69.013 68.868 -0.038 0.000 0.962 368 T HN 0.384 nan 8.240 nan 0.000 0.506 369 G N 2.052 110.601 108.800 -0.419 0.000 2.147 369 G HA2 -0.247 3.713 3.960 -0.001 0.000 0.244 369 G HA3 -0.247 3.713 3.960 -0.001 0.000 0.244 369 G C -0.057 174.528 174.900 -0.526 0.000 1.005 369 G CA -0.011 44.432 45.100 -1.094 0.000 0.713 369 G HN 0.596 nan 8.290 nan 0.000 0.515 370 K N 0.073 120.374 120.400 -0.166 0.000 2.229 370 K HA 0.644 4.963 4.320 -0.001 0.000 0.247 370 K C -0.108 176.649 176.600 0.261 0.000 1.117 370 K CA -0.197 56.136 56.287 0.077 0.000 1.036 370 K CB 0.738 33.347 32.500 0.182 0.000 1.654 370 K HN 0.507 nan 8.250 nan 0.000 0.405 371 I N -1.252 119.398 120.570 0.133 0.000 2.882 371 I HA 0.023 4.193 4.170 -0.001 0.000 0.298 371 I C -0.681 175.555 176.117 0.198 0.000 1.462 371 I CA -0.196 61.249 61.300 0.243 0.000 1.000 371 I CB 2.175 40.418 38.000 0.405 0.000 1.340 371 I HN 0.408 nan 8.210 nan 0.000 0.462 372 S N 2.649 118.481 115.700 0.220 0.000 3.587 372 S HA -0.181 4.289 4.470 -0.001 0.000 0.337 372 S C -0.383 174.204 174.600 -0.022 0.000 1.119 372 S CA 1.236 59.548 58.200 0.187 0.000 0.976 372 S CB -1.335 62.008 63.200 0.238 0.000 0.922 372 S HN 0.709 nan 8.310 nan 0.000 0.503 373 E N 0.459 120.538 120.200 -0.201 0.000 2.343 373 E HA 0.354 4.703 4.350 -0.001 0.000 0.270 373 E C -2.842 173.267 176.600 -0.817 0.000 0.895 373 E CA -2.633 53.459 56.400 -0.513 0.000 0.767 373 E CB 1.804 31.370 29.700 -0.223 0.000 1.248 373 E HN -0.042 nan 8.360 nan 0.000 0.440 374 P HA -0.026 nan 4.420 nan 0.000 0.266 374 P C 0.617 177.750 177.300 -0.278 0.000 1.215 374 P CA 1.000 63.601 63.100 -0.832 0.000 0.763 374 P CB 0.575 31.735 31.700 -0.899 0.000 0.806 375 G N 3.868 112.615 108.800 -0.089 0.000 2.317 375 G HA2 -0.241 3.718 3.960 -0.001 0.000 0.227 375 G HA3 -0.241 3.718 3.960 -0.001 0.000 0.227 375 G C 0.207 175.059 174.900 -0.080 0.000 1.042 375 G CA -0.303 44.738 45.100 -0.098 0.000 0.623 375 G HN 0.571 nan 8.290 nan 0.000 0.509 376 N N 1.092 119.770 118.700 -0.037 0.000 2.527 376 N HA 0.555 5.295 4.740 -0.001 0.000 0.236 376 N C -0.499 175.089 175.510 0.129 0.000 0.999 376 N CA 0.566 53.660 53.050 0.073 0.000 0.935 376 N CB 1.271 39.802 38.487 0.073 0.000 1.132 376 N HN 0.669 nan 8.380 nan 0.000 0.511 377 S N 2.132 117.924 115.700 0.153 0.000 2.542 377 S HA 0.442 4.911 4.470 -0.001 0.000 0.276 377 S C -3.276 171.323 174.600 -0.002 0.000 1.148 377 S CA -1.231 57.032 58.200 0.104 0.000 0.886 377 S CB 2.341 65.630 63.200 0.149 0.000 1.109 377 S HN 0.132 nan 8.310 nan 0.000 0.458 378 P HA 0.346 nan 4.420 nan 0.000 0.270 378 P C -1.327 176.076 177.300 0.172 0.000 1.551 378 P CA -0.187 62.942 63.100 0.049 0.000 1.049 378 P CB -0.243 31.446 31.700 -0.018 0.000 1.397 379 F N 2.838 122.705 119.950 -0.139 0.000 2.411 379 F HA 0.310 4.836 4.527 -0.001 0.000 0.355 379 F C 0.779 176.053 175.800 -0.875 0.000 1.117 379 F CA -0.205 57.593 58.000 -0.337 0.000 1.139 379 F CB 1.184 40.052 39.000 -0.220 0.000 1.120 379 F HN 0.113 nan 8.300 nan 0.000 0.493 380 S N 7.176 122.088 115.700 -1.313 0.000 2.465 380 S HA 0.482 4.951 4.470 -0.001 0.000 0.279 380 S C -0.443 173.683 174.600 -0.790 0.000 1.201 380 S CA -0.737 56.623 58.200 -1.399 0.000 1.053 380 S CB -0.022 62.739 63.200 -0.732 0.000 0.953 380 S HN 0.621 nan 8.310 nan 0.000 0.488 381 L N 4.845 125.779 121.223 -0.482 0.000 2.349 381 L HA 0.336 4.675 4.340 -0.001 0.000 0.275 381 L C 0.739 177.604 176.870 -0.009 0.000 1.115 381 L CA -0.331 54.433 54.840 -0.127 0.000 0.820 381 L CB 1.165 43.062 42.059 -0.270 0.000 1.135 381 L HN 0.572 nan 8.230 nan 0.000 0.445 382 T N 1.825 116.481 114.554 0.171 0.000 2.902 382 T HA 0.307 4.656 4.350 -0.001 0.000 0.283 382 T C 0.926 175.847 174.700 0.368 0.000 1.009 382 T CA -0.080 62.160 62.100 0.233 0.000 1.051 382 T CB 1.855 70.847 68.868 0.207 0.000 0.999 382 T HN 0.809 nan 8.240 nan 0.000 0.474 383 G N 1.323 110.314 108.800 0.317 0.000 2.518 383 G HA2 0.017 3.977 3.960 -0.001 0.000 0.213 383 G HA3 0.017 3.977 3.960 -0.001 0.000 0.213 383 G C 0.492 175.599 174.900 0.345 0.000 1.226 383 G CA 0.278 45.573 45.100 0.326 0.000 0.822 383 G HN 0.634 nan 8.290 nan 0.000 0.546 384 Q N 0.689 120.693 119.800 0.340 0.000 2.535 384 Q HA 0.136 4.475 4.340 -0.001 0.000 0.228 384 Q C -1.276 174.837 176.000 0.188 0.000 1.062 384 Q CA -1.195 54.837 55.803 0.382 0.000 0.967 384 Q CB 0.938 29.856 28.738 0.300 0.000 1.273 384 Q HN 0.139 nan 8.270 nan 0.000 0.554 385 P HA -0.156 nan 4.420 nan 0.000 0.217 385 P C 0.138 177.281 177.300 -0.262 0.000 1.150 385 P CA 1.777 64.721 63.100 -0.261 0.000 0.832 385 P CB 0.115 31.376 31.700 -0.732 0.000 0.787 386 F N -1.771 118.017 119.950 -0.270 0.000 2.677 386 F HA 0.753 5.279 4.527 -0.001 0.000 0.388 386 F C 1.731 177.577 175.800 0.076 0.000 1.400 386 F CA -0.192 57.781 58.000 -0.045 0.000 1.162 386 F CB -0.439 38.591 39.000 0.051 0.000 1.135 386 F HN 0.062 nan 8.300 nan 0.000 0.516 387 A N -0.985 121.902 122.820 0.110 0.000 1.969 387 A HA -0.032 4.287 4.320 -0.001 0.000 0.218 387 A C 2.205 179.916 177.584 0.211 0.000 1.169 387 A CA 2.101 54.237 52.037 0.166 0.000 0.635 387 A CB -1.143 17.977 19.000 0.200 0.000 0.810 387 A HN 0.685 nan 8.150 nan 0.000 0.445 388 C N -1.544 117.871 119.300 0.191 0.000 2.961 388 C HA 0.202 4.662 4.460 -0.001 0.000 0.287 388 C C 3.069 178.189 174.990 0.215 0.000 1.310 388 C CA 0.521 59.665 59.018 0.210 0.000 1.709 388 C CB -1.464 26.388 27.740 0.186 0.000 2.163 388 C HN 0.631 nan 8.230 nan 0.000 0.517 389 G N -0.037 108.881 108.800 0.196 0.000 2.507 389 G HA2 -0.218 3.742 3.960 -0.001 0.000 0.221 389 G HA3 -0.218 3.742 3.960 -0.001 0.000 0.221 389 G C 1.461 176.424 174.900 0.106 0.000 1.119 389 G CA 2.210 47.417 45.100 0.178 0.000 0.751 389 G HN 0.582 nan 8.290 nan 0.000 0.574 390 T N 0.128 114.748 114.554 0.111 0.000 3.499 390 T HA 0.444 4.793 4.350 -0.001 0.000 0.227 390 T C 2.725 177.495 174.700 0.116 0.000 0.946 390 T CA 0.848 62.987 62.100 0.065 0.000 1.368 390 T CB -0.714 68.226 68.868 0.120 0.000 1.227 390 T HN 0.275 nan 8.240 nan 0.000 0.398 391 A N 2.224 125.139 122.820 0.158 0.000 1.870 391 A HA -0.277 4.042 4.320 -0.001 0.000 0.219 391 A C 2.291 180.158 177.584 0.471 0.000 1.224 391 A CA 2.384 54.523 52.037 0.171 0.000 0.650 391 A CB -0.777 18.252 19.000 0.048 0.000 0.836 391 A HN 0.451 nan 8.150 nan 0.000 0.454 392 R N -0.840 119.946 120.500 0.475 0.000 2.064 392 R HA -0.085 4.255 4.340 -0.001 0.000 0.228 392 R C 2.359 178.777 176.300 0.196 0.000 1.144 392 R CA 1.632 57.956 56.100 0.373 0.000 0.932 392 R CB -0.494 29.964 30.300 0.264 0.000 0.833 392 R HN 0.719 nan 8.270 nan 0.000 0.429 393 E N 0.191 120.489 120.200 0.163 0.000 2.058 393 E HA -0.176 4.173 4.350 -0.001 0.000 0.194 393 E C 1.933 178.579 176.600 0.076 0.000 0.997 393 E CA 1.527 57.977 56.400 0.084 0.000 0.801 393 E CB -0.056 29.709 29.700 0.109 0.000 0.746 393 E HN 0.087 nan 8.360 nan 0.000 0.450 394 V N 0.001 119.941 119.914 0.044 0.000 2.970 394 V HA -0.011 4.108 4.120 -0.001 0.000 0.260 394 V C 1.048 177.167 176.094 0.042 0.000 1.100 394 V CA 0.919 63.203 62.300 -0.026 0.000 1.122 394 V CB -0.616 31.048 31.823 -0.265 0.000 0.721 394 V HN 0.526 nan 8.190 nan 0.000 0.483 395 G N 0.918 109.780 108.800 0.103 0.000 2.531 395 G HA2 -0.209 3.750 3.960 -0.001 0.000 0.283 395 G HA3 -0.209 3.750 3.960 -0.001 0.000 0.283 395 G C 0.151 175.162 174.900 0.185 0.000 1.068 395 G CA 0.276 45.461 45.100 0.143 0.000 1.273 395 G HN 0.354 nan 8.290 nan 0.000 0.532 396 T N 1.283 116.005 114.554 0.280 0.000 3.275 396 T HA 0.486 4.836 4.350 -0.001 0.000 0.265 396 T C -0.040 174.660 174.700 0.000 0.000 0.978 396 T CA 0.014 62.184 62.100 0.116 0.000 0.923 396 T CB -0.184 68.735 68.868 0.085 0.000 1.126 396 T HN 0.386 nan 8.240 nan 0.000 0.538 397 F N 0.138 120.112 119.950 0.039 0.000 2.538 397 F HA 0.623 5.150 4.527 -0.001 0.000 0.325 397 F C 1.423 177.268 175.800 0.074 0.000 1.066 397 F CA -1.608 56.444 58.000 0.087 0.000 0.946 397 F CB 0.839 39.904 39.000 0.107 0.000 1.199 397 F HN 0.097 nan 8.300 nan 0.000 0.473 398 A N 1.045 124.084 122.820 0.365 0.000 1.985 398 A HA -0.266 4.053 4.320 -0.001 0.000 0.223 398 A C 1.719 179.435 177.584 0.221 0.000 1.189 398 A CA 2.536 54.743 52.037 0.284 0.000 0.658 398 A CB -1.261 17.949 19.000 0.350 0.000 0.820 398 A HN 0.862 nan 8.150 nan 0.000 0.464 399 H N -2.302 116.874 119.070 0.176 0.000 2.520 399 H HA 0.468 5.023 4.556 -0.001 0.000 0.284 399 H C 0.529 175.907 175.328 0.084 0.000 1.037 399 H CA -0.054 56.060 56.048 0.109 0.000 1.168 399 H CB -0.179 29.653 29.762 0.117 0.000 1.497 399 H HN 0.431 nan 8.280 nan 0.000 0.547 400 R N 0.415 120.704 120.500 -0.352 0.000 2.888 400 R HA 0.659 4.998 4.340 -0.001 0.000 0.266 400 R C -1.142 175.078 176.300 -0.134 0.000 1.020 400 R CA -0.775 55.118 56.100 -0.344 0.000 0.963 400 R CB 2.137 32.156 30.300 -0.468 0.000 1.197 400 R HN 0.136 nan 8.270 nan 0.000 0.481 401 L N 1.234 122.370 121.223 -0.145 0.000 2.277 401 L HA 0.576 4.915 4.340 -0.001 0.000 0.254 401 L C -2.279 174.464 176.870 -0.212 0.000 1.044 401 L CA -2.522 52.226 54.840 -0.154 0.000 0.842 401 L CB 2.584 44.536 42.059 -0.177 0.000 1.422 401 L HN 0.472 nan 8.230 nan 0.000 0.422 402 P HA -0.038 nan 4.420 nan 0.000 0.270 402 P C -0.438 176.658 177.300 -0.340 0.000 1.221 402 P CA 0.268 63.148 63.100 -0.367 0.000 0.788 402 P CB 0.318 31.467 31.700 -0.919 0.000 0.904 403 A N 1.892 124.473 122.820 -0.398 0.000 2.511 403 A HA -0.239 4.080 4.320 -0.001 0.000 0.297 403 A C 0.769 178.021 177.584 -0.555 0.000 1.476 403 A CA 1.225 52.840 52.037 -0.703 0.000 0.757 403 A CB -2.456 16.164 19.000 -0.634 0.000 1.072 403 A HN 0.693 nan 8.150 nan 0.000 0.413 404 D N -3.056 117.140 120.400 -0.341 0.000 3.079 404 D HA -0.198 4.442 4.640 -0.001 0.000 0.214 404 D C 0.273 176.456 176.300 -0.195 0.000 1.145 404 D CA 1.986 55.885 54.000 -0.169 0.000 0.958 404 D CB -1.516 39.268 40.800 -0.028 0.000 1.117 404 D HN 0.875 nan 8.370 nan 0.000 0.416 405 M N 0.292 119.701 119.600 -0.319 0.000 2.274 405 M HA 0.356 4.835 4.480 -0.001 0.000 0.344 405 M C 0.595 176.806 176.300 -0.148 0.000 1.161 405 M CA -0.389 54.626 55.300 -0.475 0.000 1.126 405 M CB 1.775 33.997 32.600 -0.630 0.000 1.522 405 M HN -0.300 nan 8.290 nan 0.000 0.461 406 V N 2.732 122.721 119.914 0.125 0.000 2.612 406 V HA 0.154 4.273 4.120 -0.001 0.000 0.301 406 V C 0.871 177.053 176.094 0.146 0.000 1.046 406 V CA -0.534 61.858 62.300 0.152 0.000 0.946 406 V CB 1.889 33.854 31.823 0.237 0.000 1.003 406 V HN 0.797 nan 8.190 nan 0.000 0.459 407 V N 2.738 122.690 119.914 0.064 0.000 2.626 407 V HA -0.168 3.951 4.120 -0.001 0.000 0.252 407 V C 2.242 178.358 176.094 0.038 0.000 1.067 407 V CA 2.464 64.775 62.300 0.017 0.000 1.081 407 V CB -0.263 31.535 31.823 -0.042 0.000 0.686 407 V HN 1.149 nan 8.190 nan 0.000 0.468 408 T N -0.319 114.282 114.554 0.078 0.000 2.614 408 T HA -0.143 4.207 4.350 -0.001 0.000 0.263 408 T C 1.150 175.867 174.700 0.029 0.000 1.055 408 T CA 0.950 63.091 62.100 0.068 0.000 1.162 408 T CB -0.406 68.517 68.868 0.091 0.000 0.863 408 T HN 0.465 nan 8.240 nan 0.000 0.414 409 N N 2.684 121.391 118.700 0.011 0.000 2.365 409 N HA -0.026 4.713 4.740 -0.001 0.000 0.265 409 N C -2.165 173.281 175.510 -0.107 0.000 1.288 409 N CA -1.216 51.764 53.050 -0.118 0.000 0.869 409 N CB 1.448 39.714 38.487 -0.369 0.000 1.071 409 N HN 0.055 nan 8.380 nan 0.000 0.480 410 P HA -0.024 nan 4.420 nan 0.000 0.222 410 P C 0.751 178.011 177.300 -0.068 0.000 1.153 410 P CA 0.860 63.924 63.100 -0.060 0.000 0.798 410 P CB 0.403 32.075 31.700 -0.045 0.000 0.796 411 E N -0.859 119.263 120.200 -0.131 0.000 2.072 411 E HA -0.183 4.167 4.350 -0.001 0.000 0.191 411 E C 1.921 178.520 176.600 -0.002 0.000 0.985 411 E CA 1.191 57.532 56.400 -0.098 0.000 0.801 411 E CB -0.837 28.772 29.700 -0.153 0.000 0.750 411 E HN 0.446 nan 8.360 nan 0.000 0.452 412 H N 0.889 119.949 119.070 -0.016 0.000 2.299 412 H HA 0.023 4.578 4.556 -0.001 0.000 0.302 412 H C 2.229 177.548 175.328 -0.014 0.000 1.078 412 H CA 1.129 57.179 56.048 0.003 0.000 1.323 412 H CB -0.391 29.365 29.762 -0.010 0.000 1.381 412 H HN 0.063 nan 8.280 nan 0.000 0.498 413 R N 0.352 120.905 120.500 0.089 0.000 2.113 413 R HA -0.178 4.162 4.340 -0.001 0.000 0.244 413 R C 2.384 178.661 176.300 -0.038 0.000 1.142 413 R CA 1.443 57.538 56.100 -0.008 0.000 0.953 413 R CB -0.247 30.041 30.300 -0.020 0.000 0.860 413 R HN 0.324 nan 8.270 nan 0.000 0.438 414 A N -0.114 122.699 122.820 -0.011 0.000 1.858 414 A HA -0.247 4.073 4.320 -0.001 0.000 0.216 414 A C 1.930 179.507 177.584 -0.011 0.000 1.190 414 A CA 1.915 53.941 52.037 -0.018 0.000 0.617 414 A CB -0.925 18.070 19.000 -0.008 0.000 0.827 414 A HN 0.503 nan 8.150 nan 0.000 0.443 415 H N 0.318 119.327 119.070 -0.101 0.000 2.353 415 H HA -0.095 4.461 4.556 -0.001 0.000 0.298 415 H C 2.176 177.338 175.328 -0.276 0.000 1.103 415 H CA 2.035 57.984 56.048 -0.166 0.000 1.293 415 H CB -0.453 29.228 29.762 -0.135 0.000 1.372 415 H HN 0.390 nan 8.280 nan 0.000 0.501 416 A N 0.540 123.191 122.820 -0.281 0.000 1.902 416 A HA -0.172 4.147 4.320 -0.001 0.000 0.217 416 A C 2.327 179.599 177.584 -0.520 0.000 1.181 416 A CA 1.739 53.456 52.037 -0.533 0.000 0.623 416 A CB -0.472 18.167 19.000 -0.602 0.000 0.818 416 A HN 0.665 nan 8.150 nan 0.000 0.443 417 E N -0.238 119.808 120.200 -0.257 0.000 2.110 417 E HA -0.177 4.173 4.350 -0.001 0.000 0.193 417 E C 1.954 178.505 176.600 -0.082 0.000 0.988 417 E CA 1.171 57.505 56.400 -0.111 0.000 0.804 417 E CB -0.118 29.530 29.700 -0.087 0.000 0.745 417 E HN 0.598 nan 8.360 nan 0.000 0.458 418 E N 0.498 120.620 120.200 -0.129 0.000 2.106 418 E HA -0.152 4.197 4.350 -0.001 0.000 0.192 418 E C 2.183 178.707 176.600 -0.126 0.000 0.984 418 E CA 0.813 57.156 56.400 -0.095 0.000 0.806 418 E CB -0.089 29.566 29.700 -0.074 0.000 0.750 418 E HN 0.385 nan 8.360 nan 0.000 0.458 419 I N -0.423 119.978 120.570 -0.282 0.000 2.333 419 I HA -0.164 4.006 4.170 -0.001 0.000 0.246 419 I C 1.690 177.854 176.117 0.078 0.000 1.106 419 I CA 0.564 61.711 61.300 -0.255 0.000 1.411 419 I CB -0.142 37.435 38.000 -0.704 0.000 1.082 419 I HN 0.107 nan 8.210 nan 0.000 0.420 420 W N 1.963 123.241 121.300 -0.037 0.000 3.204 420 W HA 0.096 4.756 4.660 -0.001 0.000 0.249 420 W C 0.537 177.039 176.519 -0.029 0.000 1.322 420 W CA -0.430 56.908 57.345 -0.013 0.000 1.593 420 W CB -1.132 28.317 29.460 -0.018 0.000 1.122 420 W HN 0.078 nan 8.180 nan 0.000 0.710 421 K N 0.374 120.877 120.400 0.172 0.000 3.689 421 K HA -0.206 4.114 4.320 -0.001 0.000 0.276 421 K C -0.308 176.406 176.600 0.190 0.000 0.932 421 K CA 0.300 56.673 56.287 0.144 0.000 0.758 421 K CB -1.751 30.822 32.500 0.122 0.000 1.500 421 K HN 0.122 nan 8.250 nan 0.000 0.448 422 L N 0.708 121.998 121.223 0.112 0.000 2.301 422 L HA 0.600 4.940 4.340 -0.001 0.000 0.264 422 L C -1.908 174.927 176.870 -0.059 0.000 1.016 422 L CA -2.456 52.364 54.840 -0.034 0.000 0.821 422 L CB 1.522 43.523 42.059 -0.097 0.000 1.346 422 L HN 0.027 nan 8.230 nan 0.000 0.429 423 P HA 0.145 nan 4.420 nan 0.000 0.276 423 P C -0.633 176.588 177.300 -0.132 0.000 1.230 423 P CA -0.320 62.729 63.100 -0.085 0.000 0.776 423 P CB 1.044 32.664 31.700 -0.134 0.000 0.888 424 A N 2.811 125.600 122.820 -0.052 0.000 2.555 424 A HA 0.349 4.669 4.320 -0.001 0.000 0.233 424 A C 1.559 179.091 177.584 -0.087 0.000 1.060 424 A CA 0.804 52.805 52.037 -0.059 0.000 0.759 424 A CB -1.336 17.650 19.000 -0.023 0.000 0.995 424 A HN 0.933 nan 8.150 nan 0.000 0.506 425 G N 0.483 109.233 108.800 -0.082 0.000 2.168 425 G HA2 -0.236 3.724 3.960 -0.001 0.000 0.257 425 G HA3 -0.236 3.724 3.960 -0.001 0.000 0.257 425 G C 0.634 175.457 174.900 -0.129 0.000 0.997 425 G CA 0.827 45.879 45.100 -0.080 0.000 0.708 425 G HN 1.454 nan 8.290 nan 0.000 0.520 426 L N -0.520 120.577 121.223 -0.210 0.000 2.049 426 L HA 0.467 4.807 4.340 -0.001 0.000 0.203 426 L C 1.521 178.245 176.870 -0.243 0.000 1.074 426 L CA 0.908 55.541 54.840 -0.345 0.000 0.749 426 L CB -0.416 41.275 42.059 -0.613 0.000 0.907 426 L HN 0.226 nan 8.230 nan 0.000 0.439 427 L N 1.415 122.537 121.223 -0.168 0.000 2.525 427 L HA 0.107 4.446 4.340 -0.001 0.000 0.278 427 L C -1.972 174.855 176.870 -0.073 0.000 1.218 427 L CA -0.837 53.944 54.840 -0.098 0.000 0.878 427 L CB -0.748 41.272 42.059 -0.064 0.000 1.127 427 L HN 0.107 nan 8.230 nan 0.000 0.492 428 P HA 0.123 nan 4.420 nan 0.000 0.271 428 P C -0.381 176.837 177.300 -0.137 0.000 1.218 428 P CA -0.194 62.859 63.100 -0.078 0.000 0.780 428 P CB 0.542 32.074 31.700 -0.280 0.000 0.901 429 D N 0.856 121.271 120.400 0.025 0.000 2.389 429 D HA 0.006 4.646 4.640 -0.001 0.000 0.206 429 D C 0.227 176.588 176.300 0.103 0.000 1.055 429 D CA 0.215 54.245 54.000 0.050 0.000 0.856 429 D CB -0.038 40.825 40.800 0.105 0.000 0.957 429 D HN 0.467 nan 8.370 nan 0.000 0.509 430 W N 2.260 123.600 121.300 0.067 0.000 2.218 430 W HA 0.461 5.121 4.660 -0.001 0.000 0.326 430 W C -0.366 176.220 176.519 0.111 0.000 1.276 430 W CA -1.154 56.240 57.345 0.082 0.000 1.210 430 W CB 0.272 29.777 29.460 0.075 0.000 1.143 430 W HN -0.418 nan 8.180 nan 0.000 0.563 431 V N 4.509 124.605 119.914 0.303 0.000 2.555 431 V HA 0.283 4.403 4.120 -0.001 0.000 0.286 431 V C 1.283 177.586 176.094 0.348 0.000 1.044 431 V CA 0.200 62.642 62.300 0.236 0.000 1.026 431 V CB 0.237 32.207 31.823 0.246 0.000 0.981 431 V HN 0.776 nan 8.190 nan 0.000 0.480 432 G N 3.208 112.147 108.800 0.232 0.000 2.611 432 G HA2 0.489 4.449 3.960 -0.001 0.000 0.273 432 G HA3 0.489 4.449 3.960 -0.001 0.000 0.273 432 G C 0.054 175.145 174.900 0.319 0.000 1.305 432 G CA -0.090 45.208 45.100 0.329 0.000 1.010 432 G HN 1.129 nan 8.290 nan 0.000 0.509 433 A N 0.179 123.171 122.820 0.288 0.000 2.347 433 A HA 0.550 4.870 4.320 -0.001 0.000 0.287 433 A C 0.369 178.046 177.584 0.155 0.000 1.199 433 A CA -0.516 51.608 52.037 0.144 0.000 0.851 433 A CB -0.497 18.570 19.000 0.112 0.000 1.118 433 A HN 0.955 nan 8.150 nan 0.000 0.525 434 H N 0.805 120.016 119.070 0.235 0.000 2.671 434 H HA 0.596 5.151 4.556 -0.001 0.000 0.372 434 H C 1.287 176.752 175.328 0.229 0.000 1.227 434 H CA -0.155 56.045 56.048 0.252 0.000 1.426 434 H CB 0.384 30.285 29.762 0.231 0.000 1.480 434 H HN 0.602 nan 8.280 nan 0.000 0.611 435 A N 1.669 124.748 122.820 0.432 0.000 1.883 435 A HA -0.295 4.025 4.320 -0.001 0.000 0.222 435 A C 2.489 180.203 177.584 0.216 0.000 1.339 435 A CA 3.023 55.247 52.037 0.311 0.000 0.692 435 A CB -1.453 17.723 19.000 0.294 0.000 0.845 435 A HN 0.595 nan 8.150 nan 0.000 0.467 436 V N -0.190 119.949 119.914 0.375 0.000 2.233 436 V HA -0.334 3.785 4.120 -0.001 0.000 0.247 436 V C 2.592 178.730 176.094 0.074 0.000 1.050 436 V CA 2.752 65.203 62.300 0.251 0.000 1.010 436 V CB -0.825 31.189 31.823 0.318 0.000 0.637 436 V HN 0.830 nan 8.190 nan 0.000 0.444 437 E N -0.442 119.669 120.200 -0.148 0.000 2.086 437 E HA -0.376 3.973 4.350 -0.001 0.000 0.205 437 E C 2.276 178.805 176.600 -0.118 0.000 1.027 437 E CA 2.317 58.547 56.400 -0.283 0.000 0.830 437 E CB -0.282 28.967 29.700 -0.752 0.000 0.751 437 E HN 0.642 nan 8.360 nan 0.000 0.456 438 Q N -0.076 119.675 119.800 -0.082 0.000 2.197 438 Q HA -0.248 4.092 4.340 -0.001 0.000 0.211 438 Q C 1.780 177.714 176.000 -0.110 0.000 0.993 438 Q CA 2.125 57.910 55.803 -0.031 0.000 0.883 438 Q CB -0.001 28.777 28.738 0.067 0.000 0.916 438 Q HN 0.413 nan 8.270 nan 0.000 0.418 439 D N -0.796 119.565 120.400 -0.065 0.000 2.097 439 D HA -0.118 4.522 4.640 -0.001 0.000 0.197 439 D C 1.962 178.256 176.300 -0.010 0.000 0.984 439 D CA 0.986 54.963 54.000 -0.039 0.000 0.826 439 D CB -0.015 40.792 40.800 0.011 0.000 0.973 439 D HN 0.293 nan 8.370 nan 0.000 0.460 440 R N 1.090 121.599 120.500 0.016 0.000 2.070 440 R HA -0.061 4.279 4.340 -0.001 0.000 0.232 440 R C 2.300 178.626 176.300 0.044 0.000 1.138 440 R CA 0.867 57.005 56.100 0.063 0.000 0.936 440 R CB -0.261 30.067 30.300 0.047 0.000 0.839 440 R HN 0.120 nan 8.270 nan 0.000 0.429 441 K N 0.459 120.855 120.400 -0.007 0.000 2.286 441 K HA -0.162 4.157 4.320 -0.001 0.000 0.203 441 K C 1.923 178.503 176.600 -0.033 0.000 1.045 441 K CA 0.860 57.138 56.287 -0.016 0.000 0.935 441 K CB -0.109 32.383 32.500 -0.013 0.000 0.737 441 K HN 0.032 nan 8.250 nan 0.000 0.460 442 L N 0.036 121.218 121.223 -0.068 0.000 2.127 442 L HA -0.098 4.242 4.340 -0.001 0.000 0.203 442 L C 2.257 179.131 176.870 0.007 0.000 1.080 442 L CA 1.697 56.464 54.840 -0.122 0.000 0.768 442 L CB -0.607 41.287 42.059 -0.275 0.000 0.924 442 L HN 0.205 nan 8.230 nan 0.000 0.444 443 H N -0.040 118.991 119.070 -0.065 0.000 2.353 443 H HA -0.132 4.423 4.556 -0.001 0.000 0.300 443 H C 1.589 176.898 175.328 -0.032 0.000 1.090 443 H CA 2.063 58.090 56.048 -0.036 0.000 1.327 443 H CB 0.003 29.756 29.762 -0.015 0.000 1.383 443 H HN 0.327 nan 8.280 nan 0.000 0.508 444 D N -1.244 119.164 120.400 0.015 0.000 2.194 444 D HA 0.066 4.705 4.640 -0.001 0.000 0.204 444 D C 1.494 177.771 176.300 -0.039 0.000 0.964 444 D CA 1.459 55.413 54.000 -0.077 0.000 0.846 444 D CB -0.067 40.695 40.800 -0.063 0.000 0.962 444 D HN 0.606 nan 8.370 nan 0.000 0.490 445 G N 0.498 109.289 108.800 -0.015 0.000 2.159 445 G HA2 -0.197 3.762 3.960 -0.001 0.000 0.170 445 G HA3 -0.197 3.762 3.960 -0.001 0.000 0.170 445 G C 0.835 175.732 174.900 -0.004 0.000 1.007 445 G CA 0.115 45.209 45.100 -0.009 0.000 0.672 445 G HN 0.266 nan 8.290 nan 0.000 0.507 446 E N -0.211 119.985 120.200 -0.007 0.000 2.112 446 E HA 0.100 4.449 4.350 -0.001 0.000 0.190 446 E C 1.124 177.738 176.600 0.023 0.000 0.979 446 E CA 0.588 56.989 56.400 0.001 0.000 0.814 446 E CB 0.485 30.184 29.700 -0.002 0.000 0.762 446 E HN 0.625 nan 8.360 nan 0.000 0.460 447 I N 1.859 122.439 120.570 0.016 0.000 2.339 447 I HA 0.147 4.317 4.170 -0.001 0.000 0.290 447 I C 0.406 176.551 176.117 0.047 0.000 0.994 447 I CA -0.154 61.179 61.300 0.056 0.000 1.191 447 I CB 1.135 39.157 38.000 0.035 0.000 1.343 447 I HN -0.075 nan 8.210 nan 0.000 0.458 448 N N 4.267 123.043 118.700 0.126 0.000 2.181 448 N HA 0.164 4.903 4.740 -0.001 0.000 0.207 448 N C -0.505 175.161 175.510 0.260 0.000 1.182 448 N CA -0.126 53.009 53.050 0.142 0.000 0.893 448 N CB 0.822 39.383 38.487 0.124 0.000 1.032 448 N HN 0.417 nan 8.380 nan 0.000 0.513 449 F N 1.248 121.299 119.950 0.168 0.000 2.518 449 F HA 0.465 4.991 4.527 -0.001 0.000 0.323 449 F C -1.594 174.403 175.800 0.328 0.000 1.129 449 F CA -0.994 57.151 58.000 0.242 0.000 0.920 449 F CB 1.023 40.136 39.000 0.188 0.000 1.160 449 F HN -0.162 nan 8.300 nan 0.000 0.440 450 Y N 6.377 126.484 120.300 -0.323 0.000 2.386 450 Y HA 0.375 4.924 4.550 -0.001 0.000 0.334 450 Y C -2.032 173.763 175.900 -0.175 0.000 1.002 450 Y CA -1.475 56.540 58.100 -0.141 0.000 1.068 450 Y CB 1.152 39.483 38.460 -0.215 0.000 1.203 450 Y HN 0.657 nan 8.280 nan 0.000 0.443 451 W N 7.866 128.982 121.300 -0.308 0.000 2.336 451 W HA 0.646 5.306 4.660 -0.001 0.000 0.315 451 W C -1.608 174.761 176.519 -0.250 0.000 1.016 451 W CA -1.418 55.807 57.345 -0.200 0.000 1.318 451 W CB 1.077 30.583 29.460 0.076 0.000 1.247 451 W HN 0.282 nan 8.180 nan 0.000 0.414 452 V N 6.365 126.397 119.914 0.197 0.000 2.509 452 V HA 0.377 4.496 4.120 -0.001 0.000 0.284 452 V C -0.073 176.044 176.094 0.038 0.000 1.047 452 V CA -0.398 61.951 62.300 0.082 0.000 0.952 452 V CB 1.395 33.349 31.823 0.219 0.000 0.988 452 V HN 0.400 nan 8.190 nan 0.000 0.469 453 Q N 2.293 121.982 119.800 -0.185 0.000 2.271 453 Q HA 0.464 4.804 4.340 -0.001 0.000 0.268 453 Q C -0.580 175.152 176.000 -0.447 0.000 1.021 453 Q CA -0.696 54.935 55.803 -0.286 0.000 0.802 453 Q CB 2.429 30.964 28.738 -0.337 0.000 1.282 453 Q HN 0.629 nan 8.270 nan 0.000 0.431 454 V N 2.117 121.919 119.914 -0.187 0.000 5.487 454 V HA -0.332 3.787 4.120 -0.001 0.000 0.302 454 V C -0.382 175.660 176.094 -0.086 0.000 0.511 454 V CA 1.667 63.894 62.300 -0.123 0.000 0.684 454 V CB -2.513 29.192 31.823 -0.196 0.000 0.458 454 V HN 0.947 nan 8.190 nan 0.000 1.195 455 N N -0.935 117.765 118.700 0.000 0.000 2.823 455 N HA 0.298 5.037 4.740 -0.001 0.000 0.251 455 N C -0.854 174.765 175.510 0.182 0.000 1.392 455 N CA -0.712 52.394 53.050 0.092 0.000 0.864 455 N CB 2.044 40.537 38.487 0.010 0.000 1.481 455 N HN 0.103 nan 8.380 nan 0.000 0.508 456 N N 0.546 119.386 118.700 0.232 0.000 2.696 456 N HA 0.138 4.878 4.740 -0.001 0.000 0.308 456 N C -0.178 175.470 175.510 0.230 0.000 1.915 456 N CA -0.323 52.860 53.050 0.222 0.000 0.906 456 N CB -0.657 37.961 38.487 0.219 0.000 1.284 456 N HN 0.674 nan 8.380 nan 0.000 0.488 457 N N 0.312 119.176 118.700 0.274 0.000 2.334 457 N HA -0.144 4.595 4.740 -0.001 0.000 0.187 457 N C 1.246 176.805 175.510 0.081 0.000 1.016 457 N CA 0.594 53.806 53.050 0.270 0.000 0.879 457 N CB 0.212 38.933 38.487 0.390 0.000 0.965 457 N HN 0.305 nan 8.380 nan 0.000 0.438 458 M N 0.554 120.148 119.600 -0.011 0.000 2.549 458 M HA -0.073 4.407 4.480 -0.001 0.000 0.260 458 M C 1.614 177.896 176.300 -0.030 0.000 1.076 458 M CA 1.266 56.493 55.300 -0.123 0.000 1.090 458 M CB -0.301 32.215 32.600 -0.140 0.000 1.418 458 M HN 0.257 nan 8.290 nan 0.000 0.486 459 Q N -2.082 117.751 119.800 0.056 0.000 2.471 459 Q HA 0.177 4.516 4.340 -0.001 0.000 0.241 459 Q C 1.835 177.869 176.000 0.056 0.000 0.886 459 Q CA 0.586 56.453 55.803 0.108 0.000 0.953 459 Q CB 0.432 29.301 28.738 0.219 0.000 1.108 459 Q HN 0.432 nan 8.270 nan 0.000 0.575 460 A N 1.142 123.981 122.820 0.031 0.000 1.872 460 A HA 0.237 4.556 4.320 -0.001 0.000 0.214 460 A C 1.196 178.557 177.584 -0.372 0.000 1.187 460 A CA 0.863 52.695 52.037 -0.342 0.000 0.614 460 A CB -0.646 18.319 19.000 -0.060 0.000 0.826 460 A HN 0.377 nan 8.150 nan 0.000 0.442 461 A N 1.008 123.777 122.820 -0.085 0.000 2.483 461 A HA 0.471 4.790 4.320 -0.001 0.000 0.238 461 A C -2.136 175.431 177.584 -0.029 0.000 1.070 461 A CA -0.808 51.201 52.037 -0.048 0.000 0.770 461 A CB -0.329 18.717 19.000 0.076 0.000 1.008 461 A HN 0.376 nan 8.150 nan 0.000 0.497 462 P HA 0.096 nan 4.420 nan 0.000 0.278 462 P C -0.204 177.064 177.300 -0.053 0.000 1.238 462 P CA -0.245 62.830 63.100 -0.041 0.000 0.794 462 P CB 0.538 32.083 31.700 -0.259 0.000 0.955 463 N N 0.676 119.345 118.700 -0.053 0.000 2.721 463 N HA -0.179 4.561 4.740 -0.001 0.000 0.249 463 N C 1.190 176.678 175.510 -0.036 0.000 1.072 463 N CA 0.658 53.681 53.050 -0.044 0.000 0.710 463 N CB -1.302 37.158 38.487 -0.044 0.000 0.993 463 N HN 0.487 nan 8.380 nan 0.000 0.547 464 I N -2.866 117.681 120.570 -0.039 0.000 2.229 464 I HA -0.311 3.859 4.170 -0.001 0.000 0.250 464 I C 2.022 178.133 176.117 -0.010 0.000 1.096 464 I CA 1.898 63.177 61.300 -0.035 0.000 1.358 464 I CB -0.331 37.638 38.000 -0.052 0.000 1.047 464 I HN 0.022 nan 8.210 nan 0.000 0.422 465 D N 0.489 120.876 120.400 -0.022 0.000 2.144 465 D HA -0.209 4.430 4.640 -0.001 0.000 0.200 465 D C 2.239 178.540 176.300 0.002 0.000 0.978 465 D CA 1.383 55.383 54.000 0.001 0.000 0.833 465 D CB -0.033 40.754 40.800 -0.021 0.000 0.961 465 D HN 0.567 nan 8.370 nan 0.000 0.470 466 Q N -0.279 119.510 119.800 -0.019 0.000 1.994 466 Q HA -0.091 4.248 4.340 -0.001 0.000 0.198 466 Q C 1.290 177.215 176.000 -0.125 0.000 0.976 466 Q CA 1.484 57.275 55.803 -0.021 0.000 0.828 466 Q CB 0.172 28.914 28.738 0.008 0.000 0.894 466 Q HN 0.143 nan 8.270 nan 0.000 0.432 467 E N -2.044 118.081 120.200 -0.125 0.000 2.571 467 E HA 0.098 4.447 4.350 -0.001 0.000 0.222 467 E C 1.127 177.631 176.600 -0.160 0.000 0.904 467 E CA 0.339 56.608 56.400 -0.218 0.000 1.157 467 E CB 1.046 30.744 29.700 -0.003 0.000 1.158 467 E HN 0.220 nan 8.360 nan 0.000 0.540 468 T N -0.201 114.307 114.554 -0.077 0.000 2.983 468 T HA -0.058 4.291 4.350 -0.001 0.000 0.250 468 T C 1.328 176.024 174.700 -0.007 0.000 1.037 468 T CA 0.465 62.548 62.100 -0.028 0.000 1.142 468 T CB -0.243 68.589 68.868 -0.061 0.000 0.876 468 T HN 0.158 nan 8.240 nan 0.000 0.455 469 Y N 3.934 124.150 120.300 -0.141 0.000 2.114 469 Y HA -0.035 4.515 4.550 -0.001 0.000 0.284 469 Y C -0.797 175.080 175.900 -0.039 0.000 1.143 469 Y CA 0.869 58.908 58.100 -0.102 0.000 1.135 469 Y CB -1.252 37.153 38.460 -0.092 0.000 0.980 469 Y HN 0.129 nan 8.280 nan 0.000 0.499 470 P HA -0.112 nan 4.420 nan 0.000 0.218 470 P C 1.666 178.870 177.300 -0.159 0.000 1.149 470 P CA 2.204 65.135 63.100 -0.283 0.000 0.817 470 P CB -0.395 31.123 31.700 -0.303 0.000 0.785 471 G N -1.183 107.548 108.800 -0.114 0.000 2.432 471 G HA2 -0.247 3.712 3.960 -0.001 0.000 0.219 471 G HA3 -0.247 3.712 3.960 -0.001 0.000 0.219 471 G C 1.307 176.213 174.900 0.010 0.000 1.135 471 G CA 0.407 45.505 45.100 -0.003 0.000 0.767 471 G HN 0.186 nan 8.290 nan 0.000 0.550 472 Y N 0.501 120.698 120.300 -0.172 0.000 2.420 472 Y HA 0.168 4.718 4.550 -0.001 0.000 0.292 472 Y C 2.549 178.360 175.900 -0.150 0.000 1.119 472 Y CA 0.548 58.573 58.100 -0.126 0.000 1.229 472 Y CB 0.348 38.776 38.460 -0.053 0.000 1.026 472 Y HN 0.006 nan 8.280 nan 0.000 0.554 473 R N -0.038 120.398 120.500 -0.107 0.000 2.334 473 R HA 0.047 4.387 4.340 -0.001 0.000 0.216 473 R C -0.117 176.118 176.300 -0.108 0.000 0.905 473 R CA -0.131 55.870 56.100 -0.166 0.000 1.064 473 R CB -1.052 29.019 30.300 -0.382 0.000 1.046 473 R HN 0.343 nan 8.270 nan 0.000 0.508 474 N N 3.425 122.084 118.700 -0.070 0.000 2.429 474 N HA -0.022 4.718 4.740 -0.001 0.000 0.271 474 N C -1.681 173.816 175.510 -0.023 0.000 1.272 474 N CA -1.197 51.836 53.050 -0.029 0.000 0.921 474 N CB 1.064 39.551 38.487 -0.001 0.000 1.128 474 N HN -0.113 nan 8.380 nan 0.000 0.481 475 P HA -0.129 nan 4.420 nan 0.000 0.224 475 P C 0.369 177.669 177.300 0.000 0.000 1.142 475 P CA 1.032 64.112 63.100 -0.034 0.000 0.778 475 P CB 0.290 31.955 31.700 -0.058 0.000 0.764 476 E N -0.491 119.716 120.200 0.013 0.000 2.489 476 E HA 0.095 4.445 4.350 -0.001 0.000 0.193 476 E C 0.056 176.695 176.600 0.065 0.000 1.057 476 E CA 0.080 56.499 56.400 0.032 0.000 0.866 476 E CB -0.542 29.171 29.700 0.020 0.000 0.916 476 E HN 0.483 nan 8.360 nan 0.000 0.500 477 N N -0.355 118.384 118.700 0.065 0.000 2.370 477 N HA 0.347 5.087 4.740 -0.001 0.000 0.303 477 N C -1.199 174.417 175.510 0.176 0.000 1.103 477 N CA -0.617 52.485 53.050 0.087 0.000 0.848 477 N CB 1.404 39.884 38.487 -0.012 0.000 1.235 477 N HN -0.140 nan 8.380 nan 0.000 0.496 478 F N 2.101 122.047 119.950 -0.006 0.000 2.493 478 F HA 0.607 5.133 4.527 -0.001 0.000 0.329 478 F C -1.383 174.319 175.800 -0.164 0.000 1.126 478 F CA -0.744 57.235 58.000 -0.035 0.000 0.937 478 F CB 0.767 39.760 39.000 -0.011 0.000 1.146 478 F HN 0.307 nan 8.300 nan 0.000 0.442 479 I N 6.527 126.693 120.570 -0.674 0.000 2.447 479 I HA 0.449 4.618 4.170 -0.001 0.000 0.287 479 I C -1.119 174.635 176.117 -0.605 0.000 1.023 479 I CA -0.736 60.255 61.300 -0.514 0.000 1.083 479 I CB 1.951 39.781 38.000 -0.283 0.000 1.245 479 I HN 0.287 nan 8.210 nan 0.000 0.434 480 V N 6.777 126.399 119.914 -0.486 0.000 2.547 480 V HA 0.564 4.684 4.120 -0.001 0.000 0.299 480 V C -0.356 175.762 176.094 0.039 0.000 1.040 480 V CA -0.778 61.315 62.300 -0.345 0.000 0.913 480 V CB 2.047 33.493 31.823 -0.627 0.000 0.992 480 V HN 0.378 nan 8.190 nan 0.000 0.449 481 V N 2.942 122.932 119.914 0.127 0.000 2.488 481 V HA 0.350 4.469 4.120 -0.001 0.000 0.293 481 V C -0.083 176.169 176.094 0.264 0.000 1.027 481 V CA -0.280 62.163 62.300 0.238 0.000 0.862 481 V CB 2.020 33.958 31.823 0.191 0.000 1.008 481 V HN 0.917 nan 8.190 nan 0.000 0.428 482 S N 4.345 120.266 115.700 0.368 0.000 2.513 482 S HA 0.614 5.083 4.470 -0.001 0.000 0.276 482 S C -0.458 174.267 174.600 0.208 0.000 1.254 482 S CA -0.312 58.094 58.200 0.343 0.000 1.053 482 S CB 1.001 64.452 63.200 0.418 0.000 0.958 482 S HN 0.860 nan 8.310 nan 0.000 0.491 483 D N 0.163 120.662 120.400 0.164 0.000 2.692 483 D HA 0.523 5.162 4.640 -0.001 0.000 0.303 483 D C -0.468 175.862 176.300 0.050 0.000 1.278 483 D CA -0.502 53.564 54.000 0.110 0.000 0.852 483 D CB 1.608 42.473 40.800 0.108 0.000 1.375 483 D HN 0.458 nan 8.370 nan 0.000 0.453 484 A N -0.048 122.755 122.820 -0.028 0.000 2.419 484 A HA 0.360 4.680 4.320 -0.001 0.000 0.233 484 A C -0.516 176.802 177.584 -0.444 0.000 1.217 484 A CA 0.239 52.137 52.037 -0.230 0.000 0.944 484 A CB 0.315 19.124 19.000 -0.319 0.000 1.025 484 A HN 0.399 nan 8.150 nan 0.000 0.524 485 Y N -2.278 118.044 120.300 0.037 0.000 2.588 485 Y HA 0.385 4.934 4.550 -0.001 0.000 0.343 485 Y C -1.908 173.995 175.900 0.005 0.000 1.065 485 Y CA -2.159 55.950 58.100 0.016 0.000 1.038 485 Y CB 1.373 39.846 38.460 0.022 0.000 1.297 485 Y HN -0.084 nan 8.280 nan 0.000 0.467 486 P HA -0.238 nan 4.420 nan 0.000 0.216 486 P C -0.434 176.906 177.300 0.067 0.000 0.860 486 P CA 2.737 65.876 63.100 0.066 0.000 1.042 486 P CB -0.177 31.552 31.700 0.048 0.000 0.716 487 T N -3.739 110.860 114.554 0.075 0.000 0.542 487 T HA -0.135 4.215 4.350 -0.001 0.000 0.774 487 T C 0.592 175.330 174.700 0.064 0.000 0.992 487 T CA 0.234 62.383 62.100 0.081 0.000 4.076 487 T CB -0.739 68.198 68.868 0.115 0.000 2.303 487 T HN 0.069 nan 8.240 nan 0.000 0.398 488 V N 3.521 123.471 119.914 0.060 0.000 2.358 488 V HA -0.156 3.964 4.120 -0.001 0.000 0.246 488 V C 2.416 178.556 176.094 0.076 0.000 1.047 488 V CA 2.881 65.213 62.300 0.054 0.000 1.035 488 V CB -0.684 31.156 31.823 0.029 0.000 0.658 488 V HN 1.150 nan 8.190 nan 0.000 0.452 489 T N 0.424 115.027 114.554 0.082 0.000 2.699 489 T HA -0.168 4.182 4.350 -0.001 0.000 0.268 489 T C 1.707 176.505 174.700 0.162 0.000 1.036 489 T CA 1.742 63.903 62.100 0.102 0.000 1.147 489 T CB -0.902 68.051 68.868 0.142 0.000 0.862 489 T HN 0.682 nan 8.240 nan 0.000 0.446 490 G N 0.721 109.597 108.800 0.127 0.000 2.408 490 G HA2 -0.186 3.773 3.960 -0.001 0.000 0.217 490 G HA3 -0.186 3.773 3.960 -0.001 0.000 0.217 490 G C 1.575 176.539 174.900 0.107 0.000 1.150 490 G CA 0.371 45.528 45.100 0.096 0.000 0.776 490 G HN 0.388 nan 8.290 nan 0.000 0.542 491 R N 0.472 121.037 120.500 0.108 0.000 2.120 491 R HA 0.039 4.379 4.340 -0.001 0.000 0.234 491 R C 2.332 178.805 176.300 0.289 0.000 1.123 491 R CA 1.117 57.324 56.100 0.179 0.000 0.975 491 R CB -0.182 30.193 30.300 0.125 0.000 0.866 491 R HN 0.301 nan 8.270 nan 0.000 0.446 492 A N -0.331 122.636 122.820 0.246 0.000 2.337 492 A HA 0.401 4.721 4.320 -0.001 0.000 0.227 492 A C 0.433 178.201 177.584 0.307 0.000 1.259 492 A CA 0.343 52.546 52.037 0.276 0.000 0.870 492 A CB -0.008 19.143 19.000 0.252 0.000 0.927 492 A HN 0.396 nan 8.150 nan 0.000 0.497 493 A N -0.779 122.233 122.820 0.321 0.000 2.624 493 A HA 0.643 4.962 4.320 -0.001 0.000 0.267 493 A C 0.274 177.983 177.584 0.209 0.000 1.282 493 A CA -0.053 52.133 52.037 0.248 0.000 0.934 493 A CB 0.624 19.745 19.000 0.202 0.000 1.510 493 A HN 0.139 nan 8.150 nan 0.000 0.477 494 D N -1.795 118.607 120.400 0.004 0.000 2.482 494 D HA 0.205 4.845 4.640 -0.001 0.000 0.251 494 D C -0.698 175.590 176.300 -0.020 0.000 1.073 494 D CA 0.485 54.445 54.000 -0.066 0.000 0.892 494 D CB 0.765 41.406 40.800 -0.265 0.000 1.202 494 D HN 0.183 nan 8.370 nan 0.000 0.496 495 L N 1.404 122.541 121.223 -0.143 0.000 2.439 495 L HA 0.431 4.771 4.340 -0.001 0.000 0.270 495 L C -1.627 175.232 176.870 -0.018 0.000 0.972 495 L CA -0.800 54.003 54.840 -0.062 0.000 0.836 495 L CB 2.285 44.210 42.059 -0.223 0.000 1.255 495 L HN -0.335 nan 8.230 nan 0.000 0.404 496 V N 6.467 126.393 119.914 0.021 0.000 2.378 496 V HA 0.482 4.602 4.120 -0.001 0.000 0.288 496 V C -0.252 175.816 176.094 -0.045 0.000 1.016 496 V CA -0.438 61.849 62.300 -0.022 0.000 0.840 496 V CB 1.650 33.390 31.823 -0.139 0.000 0.994 496 V HN 0.618 nan 8.190 nan 0.000 0.431 497 L N 8.251 129.510 121.223 0.059 0.000 2.282 497 L HA 0.514 4.853 4.340 -0.001 0.000 0.288 497 L C -2.193 174.774 176.870 0.162 0.000 1.033 497 L CA -1.814 53.073 54.840 0.080 0.000 0.807 497 L CB 1.940 44.224 42.059 0.375 0.000 1.209 497 L HN 0.389 nan 8.230 nan 0.000 0.423 498 P HA 0.170 nan 4.420 nan 0.000 0.276 498 P C -1.022 176.448 177.300 0.284 0.000 1.235 498 P CA -0.165 63.008 63.100 0.122 0.000 0.772 498 P CB 1.535 33.248 31.700 0.022 0.000 0.871 499 A N 3.389 126.317 122.820 0.181 0.000 2.355 499 A HA 0.695 5.014 4.320 -0.001 0.000 0.324 499 A C -0.111 177.535 177.584 0.104 0.000 1.117 499 A CA -0.849 51.310 52.037 0.203 0.000 0.785 499 A CB 1.222 20.346 19.000 0.208 0.000 1.254 499 A HN 0.565 nan 8.150 nan 0.000 0.453 500 A N 2.418 125.308 122.820 0.117 0.000 2.409 500 A HA 0.572 4.891 4.320 -0.001 0.000 0.262 500 A C 0.184 177.822 177.584 0.090 0.000 1.113 500 A CA -0.105 51.951 52.037 0.031 0.000 0.790 500 A CB 0.077 19.053 19.000 -0.039 0.000 1.046 500 A HN 1.005 nan 8.150 nan 0.000 0.496 501 M N 2.625 122.255 119.600 0.049 0.000 2.573 501 M HA 0.330 4.810 4.480 -0.001 0.000 0.309 501 M C 0.708 177.127 176.300 0.198 0.000 1.202 501 M CA -0.436 54.924 55.300 0.101 0.000 0.975 501 M CB 0.731 33.329 32.600 -0.003 0.000 1.600 501 M HN 1.020 nan 8.290 nan 0.000 0.479 502 W N 1.852 123.154 121.300 0.004 0.000 2.464 502 W HA -0.377 4.283 4.660 -0.001 0.000 0.330 502 W C 0.858 177.440 176.519 0.105 0.000 1.543 502 W CA 2.801 60.116 57.345 -0.050 0.000 1.475 502 W CB -1.649 27.660 29.460 -0.252 0.000 0.908 502 W HN 0.424 nan 8.180 nan 0.000 0.500 503 V N 1.555 121.288 119.914 -0.301 0.000 3.646 503 V HA -0.034 4.086 4.120 -0.001 0.000 0.277 503 V C 1.474 177.520 176.094 -0.080 0.000 1.274 503 V CA 1.660 63.716 62.300 -0.408 0.000 1.164 503 V CB -0.448 30.785 31.823 -0.982 0.000 0.926 503 V HN 0.350 nan 8.190 nan 0.000 0.442 504 E N 0.989 121.186 120.200 -0.006 0.000 2.489 504 E HA 0.065 4.414 4.350 -0.001 0.000 0.193 504 E C 0.708 177.294 176.600 -0.024 0.000 1.057 504 E CA 0.072 56.445 56.400 -0.044 0.000 0.866 504 E CB 0.317 29.971 29.700 -0.076 0.000 0.916 504 E HN 0.529 nan 8.360 nan 0.000 0.500 505 K N 1.203 121.676 120.400 0.120 0.000 2.523 505 K HA 0.240 4.560 4.320 -0.001 0.000 0.257 505 K C -1.280 175.407 176.600 0.146 0.000 0.932 505 K CA -0.672 55.727 56.287 0.187 0.000 0.812 505 K CB 2.006 34.660 32.500 0.257 0.000 1.326 505 K HN -0.126 nan 8.250 nan 0.000 0.433 506 E N 1.841 122.085 120.200 0.073 0.000 2.360 506 E HA 0.398 4.748 4.350 -0.001 0.000 0.269 506 E C -0.537 175.904 176.600 -0.265 0.000 1.022 506 E CA -0.167 56.167 56.400 -0.109 0.000 0.887 506 E CB 0.726 30.462 29.700 0.060 0.000 0.990 506 E HN 0.771 nan 8.360 nan 0.000 0.426 507 G N 1.839 109.939 108.800 -1.168 0.000 2.721 507 G HA2 0.721 4.681 3.960 -0.001 0.000 0.296 507 G HA3 0.721 4.681 3.960 -0.001 0.000 0.296 507 G C -1.677 171.979 174.900 -2.074 0.000 1.383 507 G CA -0.293 43.905 45.100 -1.504 0.000 0.788 507 G HN 0.722 nan 8.290 nan 0.000 0.500 508 A N -1.116 120.496 122.820 -2.013 0.000 2.574 508 A HA 0.828 5.147 4.320 -0.001 0.000 0.297 508 A C -2.077 175.200 177.584 -0.511 0.000 1.062 508 A CA -0.536 50.756 52.037 -1.242 0.000 0.686 508 A CB 1.607 19.548 19.000 -1.766 0.000 1.285 508 A HN 0.798 nan 8.150 nan 0.000 0.403 509 Y N -0.497 119.841 120.300 0.063 0.000 2.638 509 Y HA 0.752 5.301 4.550 -0.001 0.000 0.339 509 Y C 0.574 176.519 175.900 0.074 0.000 1.084 509 Y CA -1.143 57.057 58.100 0.167 0.000 1.068 509 Y CB 2.533 41.235 38.460 0.404 0.000 1.294 509 Y HN 1.065 nan 8.280 nan 0.000 0.480 510 G N 2.106 111.041 108.800 0.227 0.000 2.760 510 G HA2 0.377 4.337 3.960 -0.001 0.000 0.285 510 G HA3 0.377 4.337 3.960 -0.001 0.000 0.285 510 G C -0.996 173.952 174.900 0.080 0.000 1.496 510 G CA -0.848 44.300 45.100 0.081 0.000 1.026 510 G HN 0.582 nan 8.290 nan 0.000 0.536 511 N N 1.251 119.952 118.700 0.002 0.000 2.347 511 N HA 0.377 5.116 4.740 -0.001 0.000 0.253 511 N C 1.556 177.134 175.510 0.113 0.000 1.274 511 N CA 0.025 53.145 53.050 0.117 0.000 0.941 511 N CB 1.071 39.676 38.487 0.196 0.000 1.200 511 N HN 0.375 nan 8.380 nan 0.000 0.514 512 A N -0.465 122.495 122.820 0.234 0.000 2.139 512 A HA -0.212 4.107 4.320 -0.001 0.000 0.221 512 A C 1.232 178.901 177.584 0.142 0.000 1.159 512 A CA 1.758 53.934 52.037 0.232 0.000 0.662 512 A CB -0.966 18.302 19.000 0.447 0.000 0.796 512 A HN 0.879 nan 8.150 nan 0.000 0.463 513 E N -1.347 118.832 120.200 -0.034 0.000 2.496 513 E HA 0.389 4.739 4.350 -0.001 0.000 0.202 513 E C 0.207 176.630 176.600 -0.295 0.000 1.021 513 E CA -0.640 55.647 56.400 -0.188 0.000 1.015 513 E CB -0.165 29.070 29.700 -0.775 0.000 1.102 513 E HN 0.400 nan 8.360 nan 0.000 0.452 514 R N 0.275 120.588 120.500 -0.312 0.000 3.776 514 R HA -0.182 4.158 4.340 -0.001 0.000 0.312 514 R C -0.274 175.873 176.300 -0.254 0.000 1.181 514 R CA 0.795 56.583 56.100 -0.520 0.000 0.836 514 R CB -1.852 27.768 30.300 -1.133 0.000 1.324 514 R HN 0.349 nan 8.270 nan 0.000 0.501 515 R N 1.026 121.418 120.500 -0.180 0.000 2.207 515 R HA 0.236 4.575 4.340 -0.001 0.000 0.334 515 R C -0.860 175.267 176.300 -0.289 0.000 1.013 515 R CA -0.126 55.847 56.100 -0.213 0.000 0.858 515 R CB 1.135 31.245 30.300 -0.317 0.000 1.094 515 R HN -0.051 nan 8.270 nan 0.000 0.457 516 T N 5.839 120.313 114.554 -0.133 0.000 2.770 516 T HA 0.281 4.631 4.350 -0.001 0.000 0.297 516 T C -1.199 173.371 174.700 -0.216 0.000 0.997 516 T CA -0.615 61.372 62.100 -0.188 0.000 0.949 516 T CB 0.306 69.080 68.868 -0.157 0.000 0.941 516 T HN 0.660 nan 8.240 nan 0.000 0.457 517 H N 1.285 120.393 119.070 0.063 0.000 2.690 517 H HA 0.752 5.308 4.556 -0.001 0.000 0.368 517 H C -1.036 174.454 175.328 0.270 0.000 1.150 517 H CA -1.586 54.529 56.048 0.112 0.000 1.174 517 H CB 0.364 30.210 29.762 0.140 0.000 1.684 517 H HN 0.233 nan 8.280 nan 0.000 0.538 518 F N 0.497 120.417 119.950 -0.050 0.000 2.452 518 F HA 0.610 5.137 4.527 -0.001 0.000 0.353 518 F C -0.428 175.433 175.800 0.101 0.000 1.089 518 F CA -1.419 56.434 58.000 -0.244 0.000 1.080 518 F CB 0.919 39.484 39.000 -0.725 0.000 1.399 518 F HN 0.870 nan 8.300 nan 0.000 0.492 519 W N -0.343 120.974 121.300 0.029 0.000 3.901 519 W HA 0.397 5.057 4.660 -0.001 0.000 0.274 519 W C -1.745 174.757 176.519 -0.027 0.000 1.278 519 W CA -0.801 56.518 57.345 -0.044 0.000 1.235 519 W CB -0.040 29.329 29.460 -0.152 0.000 1.261 519 W HN 0.356 nan 8.180 nan 0.000 0.546 520 H N 1.688 120.846 119.070 0.146 0.000 2.509 520 H HA 0.217 4.772 4.556 -0.001 0.000 0.360 520 H C -0.437 174.918 175.328 0.045 0.000 1.398 520 H CA -0.169 55.829 56.048 -0.084 0.000 1.429 520 H CB 1.243 30.645 29.762 -0.600 0.000 1.611 520 H HN 0.644 nan 8.280 nan 0.000 0.606 521 Q N 1.161 121.078 119.800 0.194 0.000 2.294 521 Q HA 0.085 4.425 4.340 -0.001 0.000 0.257 521 Q C -0.207 175.875 176.000 0.137 0.000 0.955 521 Q CA -0.576 55.312 55.803 0.142 0.000 0.936 521 Q CB 0.560 29.361 28.738 0.105 0.000 1.188 521 Q HN 0.339 nan 8.270 nan 0.000 0.420 522 L N 4.424 125.686 121.223 0.066 0.000 2.515 522 L HA 0.184 4.523 4.340 -0.001 0.000 0.223 522 L C 0.339 177.201 176.870 -0.013 0.000 1.079 522 L CA 0.516 55.379 54.840 0.038 0.000 0.857 522 L CB 0.331 42.366 42.059 -0.040 0.000 1.050 522 L HN 0.560 nan 8.230 nan 0.000 0.476 523 V N -4.778 115.119 119.914 -0.029 0.000 3.206 523 V HA 0.552 4.672 4.120 -0.001 0.000 0.305 523 V C -0.748 175.313 176.094 -0.054 0.000 1.257 523 V CA -1.163 61.118 62.300 -0.031 0.000 1.057 523 V CB 2.187 34.007 31.823 -0.004 0.000 1.075 523 V HN 0.072 nan 8.190 nan 0.000 0.443 524 E N 1.243 121.410 120.200 -0.054 0.000 2.231 524 E HA 0.684 5.034 4.350 -0.001 0.000 0.277 524 E C 0.009 176.554 176.600 -0.092 0.000 0.999 524 E CA -0.479 55.861 56.400 -0.099 0.000 0.827 524 E CB 2.041 31.689 29.700 -0.086 0.000 1.101 524 E HN 1.112 nan 8.360 nan 0.000 0.393 525 A N 4.057 126.784 122.820 -0.156 0.000 2.406 525 A HA 0.283 4.602 4.320 -0.001 0.000 0.243 525 A C -1.922 175.619 177.584 -0.072 0.000 1.082 525 A CA -1.004 50.960 52.037 -0.121 0.000 0.786 525 A CB -0.328 18.574 19.000 -0.163 0.000 1.029 525 A HN 0.434 nan 8.150 nan 0.000 0.495 526 P HA 0.387 nan 4.420 nan 0.000 0.278 526 P C 0.872 178.162 177.300 -0.016 0.000 1.238 526 P CA 1.061 64.155 63.100 -0.010 0.000 0.794 526 P CB 0.865 32.573 31.700 0.013 0.000 0.955 527 G N 3.553 112.348 108.800 -0.009 0.000 2.634 527 G HA2 -0.289 3.671 3.960 -0.001 0.000 0.309 527 G HA3 -0.289 3.671 3.960 -0.001 0.000 0.309 527 G C 0.482 175.385 174.900 0.006 0.000 1.265 527 G CA 0.133 45.231 45.100 -0.004 0.000 0.998 527 G HN 0.572 nan 8.290 nan 0.000 0.551 528 E N 1.721 121.941 120.200 0.033 0.000 2.394 528 E HA 0.485 4.834 4.350 -0.001 0.000 0.191 528 E C 1.179 177.930 176.600 0.252 0.000 1.044 528 E CA 0.560 57.038 56.400 0.129 0.000 0.939 528 E CB 0.177 29.952 29.700 0.124 0.000 1.089 528 E HN 0.847 nan 8.360 nan 0.000 0.456 529 A N 1.720 124.612 122.820 0.120 0.000 2.425 529 A HA 0.424 4.744 4.320 -0.001 0.000 0.249 529 A C 0.342 177.957 177.584 0.052 0.000 1.084 529 A CA -0.113 52.023 52.037 0.165 0.000 0.781 529 A CB 0.551 19.588 19.000 0.062 0.000 1.019 529 A HN 0.004 nan 8.150 nan 0.000 0.490 530 R N 1.298 121.863 120.500 0.108 0.000 2.771 530 R HA 0.449 4.788 4.340 -0.001 0.000 0.274 530 R C -0.184 176.283 176.300 0.279 0.000 0.987 530 R CA -0.378 55.718 56.100 -0.007 0.000 0.908 530 R CB 1.473 31.297 30.300 -0.794 0.000 1.213 530 R HN 0.921 nan 8.270 nan 0.000 0.468 531 S N 0.099 116.094 115.700 0.491 0.000 2.560 531 S HA -0.038 4.432 4.470 -0.001 0.000 0.276 531 S C 0.667 175.490 174.600 0.370 0.000 1.350 531 S CA -0.188 58.238 58.200 0.377 0.000 1.024 531 S CB 0.596 64.005 63.200 0.349 0.000 0.864 531 S HN 0.520 nan 8.310 nan 0.000 0.536 532 D N 0.415 121.010 120.400 0.325 0.000 2.178 532 D HA -0.104 4.535 4.640 -0.001 0.000 0.201 532 D C 1.789 178.211 176.300 0.204 0.000 0.980 532 D CA 0.977 55.163 54.000 0.310 0.000 0.842 532 D CB -0.156 40.868 40.800 0.374 0.000 0.948 532 D HN 0.486 nan 8.370 nan 0.000 0.472 533 L N 0.249 121.567 121.223 0.158 0.000 1.989 533 L HA -0.167 4.173 4.340 -0.001 0.000 0.211 533 L C 2.210 179.137 176.870 0.095 0.000 1.071 533 L CA 1.749 56.618 54.840 0.049 0.000 0.749 533 L CB -0.714 41.385 42.059 0.066 0.000 0.890 533 L HN 0.161 nan 8.230 nan 0.000 0.431 534 W N 0.361 121.651 121.300 -0.016 0.000 2.333 534 W HA -0.255 4.405 4.660 -0.001 0.000 0.316 534 W C 2.575 179.178 176.519 0.140 0.000 1.215 534 W CA 2.170 59.521 57.345 0.010 0.000 1.278 534 W CB -0.369 28.979 29.460 -0.187 0.000 1.154 534 W HN 0.257 nan 8.180 nan 0.000 0.486 535 Q N -0.256 119.830 119.800 0.476 0.000 2.062 535 Q HA -0.298 4.041 4.340 -0.001 0.000 0.209 535 Q C 2.125 178.379 176.000 0.423 0.000 0.996 535 Q CA 2.118 58.218 55.803 0.496 0.000 0.859 535 Q CB -0.860 28.306 28.738 0.714 0.000 0.920 535 Q HN 0.272 nan 8.270 nan 0.000 0.415 536 L N 0.296 121.660 121.223 0.235 0.000 1.943 536 L HA -0.235 4.104 4.340 -0.001 0.000 0.215 536 L C 2.383 179.320 176.870 0.112 0.000 1.074 536 L CA 1.862 56.809 54.840 0.177 0.000 0.759 536 L CB -1.022 40.994 42.059 -0.072 0.000 0.888 536 L HN 0.354 nan 8.230 nan 0.000 0.433 537 M N -1.334 118.164 119.600 -0.169 0.000 2.089 537 M HA -0.287 4.193 4.480 -0.001 0.000 0.257 537 M C 2.184 178.491 176.300 0.012 0.000 1.071 537 M CA 2.119 57.240 55.300 -0.298 0.000 1.096 537 M CB -0.873 31.395 32.600 -0.554 0.000 1.330 537 M HN 0.251 nan 8.290 nan 0.000 0.403 538 E N 0.659 120.720 120.200 -0.233 0.000 2.072 538 E HA -0.175 4.175 4.350 -0.001 0.000 0.191 538 E C 1.670 178.002 176.600 -0.446 0.000 0.985 538 E CA 1.196 57.337 56.400 -0.432 0.000 0.801 538 E CB -0.408 28.694 29.700 -0.996 0.000 0.750 538 E HN 0.405 nan 8.360 nan 0.000 0.452 539 F N 0.425 120.000 119.950 -0.625 0.000 2.408 539 F HA -0.079 4.447 4.527 -0.001 0.000 0.300 539 F C 2.049 177.828 175.800 -0.034 0.000 1.090 539 F CA 1.081 58.708 58.000 -0.620 0.000 1.427 539 F CB -0.400 38.535 39.000 -0.109 0.000 1.070 539 F HN -0.033 nan 8.300 nan 0.000 0.549 540 S N 0.388 116.094 115.700 0.009 0.000 2.345 540 S HA -0.187 4.283 4.470 -0.001 0.000 0.220 540 S C 1.746 176.355 174.600 0.014 0.000 1.031 540 S CA 1.226 59.465 58.200 0.066 0.000 0.996 540 S CB -0.248 63.186 63.200 0.390 0.000 0.882 540 S HN 0.366 nan 8.310 nan 0.000 0.445 541 K N 0.473 120.796 120.400 -0.128 0.000 2.587 541 K HA -0.126 4.193 4.320 -0.001 0.000 0.196 541 K C 1.765 178.225 176.600 -0.234 0.000 1.046 541 K CA 0.799 56.909 56.287 -0.295 0.000 0.930 541 K CB -0.074 32.116 32.500 -0.516 0.000 0.771 541 K HN 0.045 nan 8.250 nan 0.000 0.492 542 R N -0.654 119.700 120.500 -0.244 0.000 2.206 542 R HA 0.149 4.489 4.340 -0.001 0.000 0.198 542 R C -0.089 175.867 176.300 -0.573 0.000 0.986 542 R CA 0.448 56.277 56.100 -0.452 0.000 1.029 542 R CB 0.390 30.250 30.300 -0.734 0.000 0.966 542 R HN -0.040 nan 8.270 nan 0.000 0.487 543 F N -1.315 118.502 119.950 -0.222 0.000 2.440 543 F HA 0.461 4.987 4.527 -0.001 0.000 0.328 543 F C 0.663 176.351 175.800 -0.186 0.000 1.070 543 F CA -0.737 57.164 58.000 -0.165 0.000 1.011 543 F CB 1.532 40.482 39.000 -0.082 0.000 1.226 543 F HN -0.331 nan 8.300 nan 0.000 0.491 544 T N -0.492 114.056 114.554 -0.010 0.000 2.885 544 T HA 0.274 4.624 4.350 -0.001 0.000 0.285 544 T C 0.927 175.500 174.700 -0.212 0.000 1.019 544 T CA -0.403 61.627 62.100 -0.117 0.000 1.010 544 T CB 1.208 70.019 68.868 -0.095 0.000 1.022 544 T HN 0.761 nan 8.240 nan 0.000 0.466 545 T N 1.885 116.230 114.554 -0.347 0.000 2.869 545 T HA -0.115 4.235 4.350 -0.001 0.000 0.270 545 T C 0.968 175.545 174.700 -0.204 0.000 1.082 545 T CA 1.169 62.935 62.100 -0.556 0.000 1.123 545 T CB -0.266 68.294 68.868 -0.513 0.000 0.856 545 T HN 0.605 nan 8.240 nan 0.000 0.499 546 D N 1.448 121.795 120.400 -0.088 0.000 1.821 546 D HA 0.019 4.658 4.640 -0.001 0.000 0.307 546 D C 1.706 178.017 176.300 0.018 0.000 1.054 546 D CA 0.337 54.337 54.000 -0.000 0.000 0.832 546 D CB -0.733 40.062 40.800 -0.008 0.000 1.150 546 D HN 0.313 nan 8.370 nan 0.000 0.407 547 E N -1.017 119.195 120.200 0.020 0.000 2.980 547 E HA -0.322 4.028 4.350 -0.001 0.000 0.225 547 E C 1.761 178.423 176.600 0.104 0.000 0.998 547 E CA 3.114 59.544 56.400 0.050 0.000 1.773 547 E CB -0.412 29.316 29.700 0.047 0.000 1.664 547 E HN 0.230 nan 8.360 nan 0.000 0.401 548 V N -2.198 117.791 119.914 0.126 0.000 2.922 548 V HA 0.054 4.173 4.120 -0.001 0.000 0.242 548 V C 0.712 177.022 176.094 0.360 0.000 1.094 548 V CA 0.449 62.878 62.300 0.216 0.000 1.106 548 V CB -0.213 31.755 31.823 0.241 0.000 0.799 548 V HN 0.186 nan 8.190 nan 0.000 0.474 549 W N 2.048 123.374 121.300 0.043 0.000 2.251 549 W HA 0.478 5.138 4.660 -0.001 0.000 0.329 549 W C -2.227 174.310 176.519 0.029 0.000 1.234 549 W CA -3.069 54.290 57.345 0.022 0.000 1.228 549 W CB -0.740 28.713 29.460 -0.012 0.000 1.135 549 W HN 0.018 nan 8.180 nan 0.000 0.576 550 P HA -0.008 nan 4.420 nan 0.000 0.268 550 P C 0.537 177.916 177.300 0.131 0.000 1.205 550 P CA 0.329 63.501 63.100 0.121 0.000 0.771 550 P CB 0.864 32.599 31.700 0.058 0.000 0.858 551 E N 2.488 122.751 120.200 0.105 0.000 2.118 551 E HA -0.225 4.125 4.350 -0.001 0.000 0.195 551 E C 1.264 177.915 176.600 0.086 0.000 0.992 551 E CA 1.184 57.642 56.400 0.096 0.000 0.804 551 E CB -0.275 29.468 29.700 0.070 0.000 0.741 551 E HN 0.563 nan 8.360 nan 0.000 0.458 552 E N 1.147 121.386 120.200 0.065 0.000 2.033 552 E HA -0.210 4.139 4.350 -0.001 0.000 0.199 552 E C 2.317 178.953 176.600 0.061 0.000 1.011 552 E CA 1.356 57.787 56.400 0.051 0.000 0.815 552 E CB -0.368 29.352 29.700 0.034 0.000 0.755 552 E HN 0.287 nan 8.360 nan 0.000 0.451 553 I N 1.391 121.993 120.570 0.053 0.000 2.194 553 I HA -0.326 3.844 4.170 -0.001 0.000 0.246 553 I C 2.521 178.721 176.117 0.137 0.000 1.093 553 I CA 1.105 62.434 61.300 0.047 0.000 1.355 553 I CB -0.290 37.683 38.000 -0.045 0.000 1.046 553 I HN 0.127 nan 8.210 nan 0.000 0.413 554 L N 0.137 121.470 121.223 0.183 0.000 1.970 554 L HA -0.273 4.067 4.340 -0.001 0.000 0.212 554 L C 2.900 179.867 176.870 0.162 0.000 1.071 554 L CA 2.113 57.088 54.840 0.226 0.000 0.751 554 L CB -1.084 41.090 42.059 0.192 0.000 0.889 554 L HN 0.451 nan 8.230 nan 0.000 0.432 555 S N 0.580 116.347 115.700 0.111 0.000 2.390 555 S HA -0.348 4.121 4.470 -0.001 0.000 0.234 555 S C 2.126 176.773 174.600 0.080 0.000 1.063 555 S CA 1.736 59.984 58.200 0.079 0.000 1.108 555 S CB -0.684 62.552 63.200 0.059 0.000 0.975 555 S HN 0.420 nan 8.310 nan 0.000 0.442 556 A N 1.837 124.709 122.820 0.088 0.000 1.940 556 A HA 0.468 4.788 4.320 -0.001 0.000 0.219 556 A C 1.492 179.142 177.584 0.109 0.000 1.176 556 A CA 1.407 53.495 52.037 0.083 0.000 0.631 556 A CB -0.861 18.185 19.000 0.076 0.000 0.814 556 A HN 1.516 nan 8.150 nan 0.000 0.446 557 A N -1.059 121.865 122.820 0.174 0.000 2.605 557 A HA 0.598 4.917 4.320 -0.001 0.000 0.293 557 A C -1.595 176.079 177.584 0.149 0.000 1.216 557 A CA -1.216 50.929 52.037 0.181 0.000 0.742 557 A CB 0.784 19.990 19.000 0.344 0.000 1.170 557 A HN 0.080 nan 8.150 nan 0.000 0.443 558 P HA -0.220 nan 4.420 nan 0.000 0.214 558 P C 0.954 178.231 177.300 -0.037 0.000 1.169 558 P CA 2.012 65.122 63.100 0.017 0.000 0.908 558 P CB 0.062 31.756 31.700 -0.011 0.000 0.791 559 A N -0.586 122.137 122.820 -0.161 0.000 2.752 559 A HA 0.113 4.432 4.320 -0.001 0.000 0.292 559 A C -0.547 176.719 177.584 -0.531 0.000 1.597 559 A CA 0.345 52.203 52.037 -0.298 0.000 1.241 559 A CB -2.086 16.696 19.000 -0.364 0.000 1.061 559 A HN 0.381 nan 8.150 nan 0.000 0.576 560 Y N -0.082 120.217 120.300 -0.002 0.000 3.513 560 Y HA 0.013 4.562 4.550 -0.001 0.000 0.188 560 Y C 0.133 176.006 175.900 -0.045 0.000 0.543 560 Y CA -0.596 57.489 58.100 -0.025 0.000 1.090 560 Y CB -0.440 38.137 38.460 0.195 0.000 1.081 560 Y HN 0.662 nan 8.280 nan 0.000 0.541 561 R N 0.631 121.156 120.500 0.042 0.000 2.569 561 R HA 0.551 4.890 4.340 -0.001 0.000 0.293 561 R C 0.473 176.755 176.300 -0.029 0.000 1.186 561 R CA 0.161 56.269 56.100 0.014 0.000 0.956 561 R CB 1.761 32.079 30.300 0.030 0.000 1.196 561 R HN 0.492 nan 8.270 nan 0.000 0.444 562 G N 2.452 111.219 108.800 -0.055 0.000 3.298 562 G HA2 -0.351 3.608 3.960 -0.001 0.000 0.260 562 G HA3 -0.351 3.608 3.960 -0.001 0.000 0.260 562 G C 0.354 175.198 174.900 -0.093 0.000 1.681 562 G CA 0.155 45.216 45.100 -0.065 0.000 1.094 562 G HN 0.515 nan 8.290 nan 0.000 0.575 563 K N -0.142 120.211 120.400 -0.078 0.000 11.179 563 K HA -0.350 3.969 4.320 -0.001 0.000 0.530 563 K C 1.108 177.654 176.600 -0.090 0.000 0.396 563 K CA 4.401 60.637 56.287 -0.086 0.000 1.922 563 K CB -2.301 30.137 32.500 -0.103 0.000 0.793 563 K HN 2.975 nan 8.250 nan 0.000 1.249 564 T N -2.153 112.318 114.554 -0.139 0.000 0.554 564 T HA -0.118 4.232 4.350 -0.001 0.000 0.772 564 T C -0.153 174.475 174.700 -0.120 0.000 0.992 564 T CA 0.425 62.456 62.100 -0.115 0.000 4.069 564 T CB -1.507 67.318 68.868 -0.071 0.000 2.299 564 T HN 0.322 nan 8.240 nan 0.000 0.397 565 L N 4.776 125.906 121.223 -0.155 0.000 2.742 565 L HA 0.436 4.775 4.340 -0.001 0.000 0.275 565 L C 1.190 178.027 176.870 -0.056 0.000 1.141 565 L CA 0.855 55.563 54.840 -0.220 0.000 0.987 565 L CB -0.676 41.230 42.059 -0.256 0.000 1.319 565 L HN 0.827 nan 8.230 nan 0.000 0.478 566 F N 0.183 119.939 119.950 -0.323 0.000 1.692 566 F HA -0.187 4.339 4.527 -0.001 0.000 0.287 566 F C 1.625 177.297 175.800 -0.214 0.000 1.241 566 F CA 0.305 58.178 58.000 -0.210 0.000 1.255 566 F CB -0.138 38.818 39.000 -0.074 0.000 2.008 566 F HN 0.343 nan 8.300 nan 0.000 0.119 567 E N 0.748 120.982 120.200 0.058 0.000 2.077 567 E HA -0.118 4.232 4.350 -0.001 0.000 0.193 567 E C 1.804 178.304 176.600 -0.168 0.000 0.989 567 E CA 1.801 58.179 56.400 -0.038 0.000 0.800 567 E CB -0.131 29.570 29.700 0.002 0.000 0.746 567 E HN 0.370 nan 8.360 nan 0.000 0.452 568 V N 1.275 121.082 119.914 -0.178 0.000 2.667 568 V HA -0.167 3.952 4.120 -0.001 0.000 0.252 568 V C 2.049 177.955 176.094 -0.313 0.000 1.065 568 V CA 1.243 63.447 62.300 -0.160 0.000 1.083 568 V CB -0.207 31.506 31.823 -0.183 0.000 0.692 568 V HN 0.233 nan 8.190 nan 0.000 0.468 569 L N -2.460 118.405 121.223 -0.596 0.000 2.388 569 L HA 0.238 4.577 4.340 -0.001 0.000 0.209 569 L C 1.681 177.812 176.870 -1.232 0.000 1.061 569 L CA 0.971 55.182 54.840 -1.048 0.000 0.834 569 L CB 0.071 41.188 42.059 -1.570 0.000 1.029 569 L HN 0.287 nan 8.230 nan 0.000 0.473 570 F N -1.139 118.436 119.950 -0.624 0.000 2.817 570 F HA 0.358 4.884 4.527 -0.001 0.000 0.333 570 F C 1.260 176.541 175.800 -0.865 0.000 1.085 570 F CA -0.140 57.423 58.000 -0.727 0.000 1.170 570 F CB 0.474 38.916 39.000 -0.931 0.000 1.066 570 F HN -0.129 nan 8.300 nan 0.000 0.564 571 A N -0.064 122.383 122.820 -0.621 0.000 2.793 571 A HA 0.310 4.629 4.320 -0.001 0.000 0.301 571 A C 0.832 178.219 177.584 -0.329 0.000 1.172 571 A CA -0.173 51.548 52.037 -0.526 0.000 0.973 571 A CB -0.591 18.234 19.000 -0.292 0.000 1.164 571 A HN 0.074 nan 8.150 nan 0.000 0.542 572 N N 0.756 119.272 118.700 -0.307 0.000 2.453 572 N HA -0.001 4.738 4.740 -0.001 0.000 0.183 572 N C 1.481 176.892 175.510 -0.165 0.000 1.041 572 N CA 1.539 54.477 53.050 -0.187 0.000 0.900 572 N CB 0.062 38.460 38.487 -0.148 0.000 0.961 572 N HN 0.874 nan 8.380 nan 0.000 0.443 573 G N -1.153 107.513 108.800 -0.224 0.000 2.157 573 G HA2 -0.286 3.673 3.960 -0.001 0.000 0.248 573 G HA3 -0.286 3.673 3.960 -0.001 0.000 0.248 573 G C 0.941 175.732 174.900 -0.182 0.000 0.979 573 G CA 0.912 45.897 45.100 -0.192 0.000 0.650 573 G HN 0.474 nan 8.290 nan 0.000 0.529 574 S N -1.542 114.055 115.700 -0.172 0.000 2.655 574 S HA 0.257 4.726 4.470 -0.001 0.000 0.231 574 S C 2.288 176.812 174.600 -0.126 0.000 1.044 574 S CA 1.567 59.694 58.200 -0.121 0.000 0.910 574 S CB 0.071 63.244 63.200 -0.044 0.000 0.833 574 S HN 0.584 nan 8.310 nan 0.000 0.581 575 V N 2.654 122.486 119.914 -0.137 0.000 2.871 575 V HA 0.011 4.131 4.120 -0.001 0.000 0.256 575 V C 1.277 177.246 176.094 -0.208 0.000 1.082 575 V CA 1.707 63.954 62.300 -0.088 0.000 1.105 575 V CB -0.645 31.140 31.823 -0.063 0.000 0.713 575 V HN 0.443 nan 8.190 nan 0.000 0.473 576 D N -0.296 119.839 120.400 -0.440 0.000 2.347 576 D HA -0.034 4.605 4.640 -0.001 0.000 0.213 576 D C 2.057 178.231 176.300 -0.210 0.000 0.985 576 D CA 0.182 53.875 54.000 -0.511 0.000 0.879 576 D CB -0.304 40.174 40.800 -0.537 0.000 0.919 576 D HN 0.240 nan 8.370 nan 0.000 0.526 577 R N -0.087 120.231 120.500 -0.302 0.000 2.224 577 R HA -0.201 4.139 4.340 -0.001 0.000 0.255 577 R C -0.139 175.835 176.300 -0.545 0.000 1.130 577 R CA 1.211 56.993 56.100 -0.530 0.000 0.957 577 R CB -0.241 29.517 30.300 -0.902 0.000 0.907 577 R HN 0.151 nan 8.270 nan 0.000 0.446 578 F N 1.373 121.348 119.950 0.041 0.000 2.420 578 F HA 0.407 4.934 4.527 -0.001 0.000 0.342 578 F C -1.694 174.209 175.800 0.173 0.000 1.113 578 F CA -3.070 54.987 58.000 0.095 0.000 1.059 578 F CB 1.064 40.108 39.000 0.073 0.000 1.128 578 F HN 0.043 nan 8.300 nan 0.000 0.475 579 P HA 0.070 nan 4.420 nan 0.000 0.272 579 P C 0.089 177.494 177.300 0.174 0.000 1.240 579 P CA -0.196 63.030 63.100 0.210 0.000 0.791 579 P CB 1.024 32.807 31.700 0.138 0.000 0.978 580 A N 1.010 123.892 122.820 0.104 0.000 2.225 580 A HA -0.066 4.254 4.320 -0.001 0.000 0.215 580 A C 1.652 179.198 177.584 -0.062 0.000 1.164 580 A CA 1.336 53.376 52.037 0.004 0.000 0.710 580 A CB -0.962 18.040 19.000 0.003 0.000 0.780 580 A HN 0.672 nan 8.150 nan 0.000 0.473 581 S N -1.034 114.664 115.700 -0.005 0.000 2.397 581 S HA 0.282 4.751 4.470 -0.001 0.000 0.261 581 S C 0.531 175.115 174.600 -0.027 0.000 1.187 581 S CA 0.581 58.770 58.200 -0.018 0.000 1.023 581 S CB 0.177 63.394 63.200 0.028 0.000 1.103 581 S HN 0.410 nan 8.310 nan 0.000 0.474 582 D N -1.421 118.999 120.400 0.034 0.000 2.955 582 D HA -0.125 4.514 4.640 -0.001 0.000 0.226 582 D C -0.326 175.974 176.300 -0.000 0.000 1.178 582 D CA 1.026 55.088 54.000 0.103 0.000 0.808 582 D CB -1.259 39.688 40.800 0.246 0.000 1.099 582 D HN 0.281 nan 8.370 nan 0.000 0.421 583 V N 0.643 120.447 119.914 -0.183 0.000 2.778 583 V HA 0.193 4.312 4.120 -0.001 0.000 0.356 583 V C -0.054 175.940 176.094 -0.168 0.000 1.283 583 V CA -0.132 61.940 62.300 -0.380 0.000 1.247 583 V CB 0.123 31.500 31.823 -0.743 0.000 1.408 583 V HN 0.474 nan 8.190 nan 0.000 0.620 584 N N 1.753 120.422 118.700 -0.052 0.000 2.621 584 N HA -0.142 4.598 4.740 -0.001 0.000 0.291 584 N C -1.926 173.529 175.510 -0.092 0.000 1.580 584 N CA 0.753 53.765 53.050 -0.064 0.000 1.058 584 N CB 0.481 38.869 38.487 -0.166 0.000 0.975 584 N HN 0.240 nan 8.380 nan 0.000 0.477 585 P HA -0.173 nan 4.420 nan 0.000 0.217 585 P C -0.053 177.176 177.300 -0.118 0.000 1.162 585 P CA 1.525 64.577 63.100 -0.080 0.000 0.901 585 P CB 0.045 31.709 31.700 -0.059 0.000 0.793 586 D N -1.106 119.198 120.400 -0.160 0.000 2.384 586 D HA 0.042 4.682 4.640 -0.001 0.000 0.244 586 D C 0.084 176.204 176.300 -0.300 0.000 1.251 586 D CA 0.306 54.126 54.000 -0.300 0.000 0.961 586 D CB -0.171 40.350 40.800 -0.465 0.000 1.116 586 D HN 0.313 nan 8.370 nan 0.000 0.484 587 H N -1.812 117.141 119.070 -0.196 0.000 4.237 587 H HA -0.039 4.517 4.556 -0.001 0.000 0.290 587 H C -0.637 174.591 175.328 -0.166 0.000 0.689 587 H CA 0.527 56.448 56.048 -0.211 0.000 0.817 587 H CB -1.102 28.408 29.762 -0.421 0.000 1.217 587 H HN 0.612 nan 8.280 nan 0.000 0.320 588 A N 2.768 125.592 122.820 0.006 0.000 2.256 588 A HA 0.598 4.917 4.320 -0.001 0.000 0.318 588 A C 0.641 178.227 177.584 0.003 0.000 1.103 588 A CA -0.279 51.744 52.037 -0.024 0.000 0.860 588 A CB 1.118 20.099 19.000 -0.032 0.000 1.182 588 A HN 0.639 nan 8.150 nan 0.000 0.501 589 N N -0.492 118.200 118.700 -0.014 0.000 2.732 589 N HA 0.044 4.784 4.740 -0.001 0.000 0.247 589 N C 0.531 176.048 175.510 0.012 0.000 1.305 589 N CA -0.324 52.734 53.050 0.015 0.000 0.762 589 N CB 0.422 38.870 38.487 -0.065 0.000 1.361 589 N HN 0.814 nan 8.380 nan 0.000 0.545 590 H N 1.859 120.857 119.070 -0.120 0.000 2.426 590 H HA -0.086 4.469 4.556 -0.001 0.000 0.298 590 H C 0.068 175.253 175.328 -0.238 0.000 1.107 590 H CA 1.540 57.478 56.048 -0.184 0.000 1.298 590 H CB 0.091 29.724 29.762 -0.215 0.000 1.377 590 H HN 0.478 nan 8.280 nan 0.000 0.519 591 E N 0.472 120.331 120.200 -0.568 0.000 2.511 591 E HA 0.216 4.566 4.350 -0.001 0.000 0.196 591 E C 1.736 178.142 176.600 -0.324 0.000 1.066 591 E CA 0.587 56.670 56.400 -0.528 0.000 0.871 591 E CB 0.283 29.765 29.700 -0.363 0.000 0.863 591 E HN 0.669 nan 8.360 nan 0.000 0.520 592 A N 0.351 123.036 122.820 -0.226 0.000 2.259 592 A HA 0.481 4.800 4.320 -0.001 0.000 0.213 592 A C 2.053 179.552 177.584 -0.143 0.000 1.209 592 A CA 0.485 52.431 52.037 -0.152 0.000 0.910 592 A CB 0.204 19.132 19.000 -0.120 0.000 0.946 592 A HN 0.244 nan 8.150 nan 0.000 0.497 593 A N 0.076 122.799 122.820 -0.160 0.000 1.930 593 A HA 0.365 4.684 4.320 -0.001 0.000 0.215 593 A C 0.944 178.447 177.584 -0.136 0.000 1.176 593 A CA 0.443 52.410 52.037 -0.116 0.000 0.632 593 A CB -0.375 18.566 19.000 -0.098 0.000 0.819 593 A HN 0.419 nan 8.150 nan 0.000 0.445 594 L N -0.394 120.669 121.223 -0.266 0.000 2.375 594 L HA 0.535 4.875 4.340 -0.001 0.000 0.271 594 L C -0.582 176.067 176.870 -0.368 0.000 1.107 594 L CA -0.683 53.965 54.840 -0.321 0.000 0.806 594 L CB 0.205 41.968 42.059 -0.492 0.000 1.146 594 L HN 0.339 nan 8.230 nan 0.000 0.447 595 F N -0.136 119.791 119.950 -0.040 0.000 2.183 595 F HA -0.145 4.381 4.527 -0.001 0.000 0.318 595 F C 1.013 176.739 175.800 -0.123 0.000 1.277 595 F CA 0.276 58.196 58.000 -0.134 0.000 0.914 595 F CB -1.219 37.444 39.000 -0.562 0.000 4.133 595 F HN 0.660 nan 8.300 nan 0.000 0.140 596 G N -0.352 108.596 108.800 0.246 0.000 3.020 596 G HA2 0.380 4.340 3.960 -0.001 0.000 0.217 596 G HA3 0.380 4.340 3.960 -0.001 0.000 0.217 596 G C 0.254 175.336 174.900 0.304 0.000 1.144 596 G CA 0.459 45.708 45.100 0.249 0.000 0.760 596 G HN 0.475 nan 8.290 nan 0.000 0.548 597 F N -1.225 118.828 119.950 0.173 0.000 2.433 597 F HA 0.711 5.238 4.527 -0.001 0.000 0.288 597 F C -0.255 175.678 175.800 0.221 0.000 0.996 597 F CA -3.197 54.898 58.000 0.159 0.000 1.104 597 F CB 0.074 39.137 39.000 0.105 0.000 1.946 597 F HN -0.133 nan 8.300 nan 0.000 0.583 598 Y N 2.132 122.562 120.300 0.217 0.000 2.541 598 Y HA 0.454 5.003 4.550 -0.001 0.000 0.350 598 Y C -2.508 173.387 175.900 -0.009 0.000 1.075 598 Y CA -4.127 53.980 58.100 0.013 0.000 1.302 598 Y CB 0.340 38.806 38.460 0.010 0.000 1.094 598 Y HN 0.132 nan 8.280 nan 0.000 0.579 599 P HA -0.283 nan 4.420 nan 0.000 0.214 599 P C 1.581 178.646 177.300 -0.392 0.000 1.172 599 P CA 2.706 65.757 63.100 -0.081 0.000 0.925 599 P CB 0.304 31.919 31.700 -0.142 0.000 0.793 600 Q N 0.415 119.756 119.800 -0.766 0.000 2.062 600 Q HA -0.268 4.071 4.340 -0.001 0.000 0.209 600 Q C 2.143 177.492 176.000 -1.086 0.000 0.996 600 Q CA 1.909 56.862 55.803 -1.417 0.000 0.859 600 Q CB -1.366 26.261 28.738 -1.852 0.000 0.920 600 Q HN 0.320 nan 8.270 nan 0.000 0.415 601 K N 0.794 120.201 120.400 -1.654 0.000 2.032 601 K HA -0.144 4.175 4.320 -0.001 0.000 0.209 601 K C 2.285 178.482 176.600 -0.672 0.000 1.048 601 K CA 1.577 56.742 56.287 -1.870 0.000 0.927 601 K CB -0.572 30.526 32.500 -2.337 0.000 0.712 601 K HN 0.358 nan 8.250 nan 0.000 0.441 602 G N 1.107 109.758 108.800 -0.248 0.000 2.480 602 G HA2 -0.259 3.701 3.960 -0.001 0.000 0.216 602 G HA3 -0.259 3.701 3.960 -0.001 0.000 0.216 602 G C 1.442 176.444 174.900 0.170 0.000 1.200 602 G CA 1.060 46.266 45.100 0.177 0.000 0.782 602 G HN 0.199 nan 8.290 nan 0.000 0.554 603 L N -0.752 120.551 121.223 0.134 0.000 2.012 603 L HA 0.014 4.353 4.340 -0.001 0.000 0.210 603 L C 2.504 179.547 176.870 0.288 0.000 1.073 603 L CA 1.274 56.307 54.840 0.322 0.000 0.748 603 L CB -0.589 41.681 42.059 0.350 0.000 0.891 603 L HN 0.215 nan 8.230 nan 0.000 0.431 604 F N 0.673 120.728 119.950 0.175 0.000 2.046 604 F HA -0.251 4.276 4.527 -0.001 0.000 0.297 604 F C 2.648 178.598 175.800 0.250 0.000 1.123 604 F CA 1.792 59.989 58.000 0.328 0.000 1.199 604 F CB -0.228 39.118 39.000 0.576 0.000 0.972 604 F HN 0.050 nan 8.300 nan 0.000 0.474 605 E N 0.267 120.625 120.200 0.263 0.000 2.160 605 E HA -0.252 4.098 4.350 -0.001 0.000 0.195 605 E C 2.134 178.797 176.600 0.105 0.000 0.991 605 E CA 1.337 57.842 56.400 0.176 0.000 0.810 605 E CB -0.467 29.397 29.700 0.274 0.000 0.742 605 E HN 0.663 nan 8.360 nan 0.000 0.466 606 E N 0.010 120.310 120.200 0.166 0.000 2.006 606 E HA -0.212 4.138 4.350 -0.001 0.000 0.192 606 E C 2.166 178.858 176.600 0.153 0.000 0.993 606 E CA 0.822 57.345 56.400 0.206 0.000 0.808 606 E CB -0.383 29.536 29.700 0.365 0.000 0.764 606 E HN 0.221 nan 8.360 nan 0.000 0.449 607 Y N 1.109 121.289 120.300 -0.201 0.000 2.219 607 Y HA -0.298 4.251 4.550 -0.001 0.000 0.283 607 Y C 1.883 177.652 175.900 -0.219 0.000 1.191 607 Y CA 1.809 59.567 58.100 -0.570 0.000 1.199 607 Y CB -0.702 36.847 38.460 -1.518 0.000 0.972 607 Y HN 0.170 nan 8.280 nan 0.000 0.527 608 A N 0.691 123.188 122.820 -0.537 0.000 1.972 608 A HA -0.060 4.259 4.320 -0.001 0.000 0.219 608 A C 2.431 179.833 177.584 -0.304 0.000 1.169 608 A CA 1.644 53.343 52.037 -0.563 0.000 0.635 608 A CB -1.430 17.341 19.000 -0.380 0.000 0.810 608 A HN 0.693 nan 8.150 nan 0.000 0.446 609 A N -1.471 121.249 122.820 -0.167 0.000 2.121 609 A HA 0.072 4.392 4.320 -0.001 0.000 0.218 609 A C 1.781 179.254 177.584 -0.184 0.000 1.154 609 A CA 1.102 53.057 52.037 -0.136 0.000 0.679 609 A CB -0.707 18.205 19.000 -0.147 0.000 0.795 609 A HN 0.462 nan 8.150 nan 0.000 0.458 610 F N 0.327 120.101 119.950 -0.293 0.000 2.146 610 F HA 0.083 4.609 4.527 -0.001 0.000 0.298 610 F C 2.046 177.719 175.800 -0.211 0.000 1.096 610 F CA 0.830 58.657 58.000 -0.289 0.000 1.275 610 F CB -0.585 38.184 39.000 -0.384 0.000 1.008 610 F HN 0.287 nan 8.300 nan 0.000 0.480 611 G N -1.429 107.326 108.800 -0.075 0.000 2.574 611 G HA2 0.498 4.457 3.960 -0.001 0.000 0.248 611 G HA3 0.498 4.457 3.960 -0.001 0.000 0.248 611 G C -0.623 174.343 174.900 0.109 0.000 1.422 611 G CA -0.700 44.413 45.100 0.021 0.000 1.051 611 G HN 0.130 nan 8.290 nan 0.000 0.560 612 R N -1.172 119.377 120.500 0.081 0.000 1.955 612 R HA -0.098 4.241 4.340 -0.001 0.000 0.380 612 R C 0.626 176.953 176.300 0.044 0.000 1.164 612 R CA 0.578 56.720 56.100 0.070 0.000 0.888 612 R CB -1.606 28.713 30.300 0.031 0.000 2.758 612 R HN 2.314 nan 8.270 nan 0.000 0.488 613 G N 1.488 110.312 108.800 0.040 0.000 2.955 613 G HA2 -0.282 3.678 3.960 -0.001 0.000 0.230 613 G HA3 -0.282 3.678 3.960 -0.001 0.000 0.230 613 G C -0.805 174.058 174.900 -0.063 0.000 1.587 613 G CA -0.010 45.014 45.100 -0.125 0.000 1.216 613 G HN 0.813 nan 8.290 nan 0.000 0.527 614 H N 2.733 121.848 119.070 0.076 0.000 3.327 614 H HA 0.383 4.938 4.556 -0.001 0.000 0.229 614 H C 1.740 176.989 175.328 -0.130 0.000 0.895 614 H CA 1.167 57.225 56.048 0.017 0.000 1.380 614 H CB -0.757 29.044 29.762 0.064 0.000 1.545 614 H HN 1.922 nan 8.280 nan 0.000 0.509 615 G N 2.877 111.360 108.800 -0.529 0.000 2.596 615 G HA2 -0.481 3.479 3.960 -0.001 0.000 0.421 615 G HA3 -0.481 3.479 3.960 -0.001 0.000 0.421 615 G C 0.455 175.116 174.900 -0.397 0.000 1.364 615 G CA 0.609 45.236 45.100 -0.790 0.000 0.954 615 G HN 1.037 nan 8.290 nan 0.000 0.524 616 H N -0.053 118.902 119.070 -0.190 0.000 2.814 616 H HA -0.176 4.380 4.556 -0.001 0.000 0.313 616 H C 0.540 175.676 175.328 -0.319 0.000 1.027 616 H CA 1.403 57.137 56.048 -0.525 0.000 1.180 616 H CB -1.858 27.559 29.762 -0.575 0.000 1.366 616 H HN 0.636 nan 8.280 nan 0.000 0.364 617 D N 1.132 121.542 120.400 0.016 0.000 2.455 617 D HA 0.141 4.780 4.640 -0.001 0.000 0.265 617 D C 0.725 177.111 176.300 0.143 0.000 1.284 617 D CA 0.280 54.334 54.000 0.091 0.000 0.944 617 D CB 0.410 41.317 40.800 0.179 0.000 1.121 617 D HN 0.246 nan 8.370 nan 0.000 0.525 618 L N 1.997 123.272 121.223 0.087 0.000 2.379 618 L HA 0.550 4.890 4.340 -0.001 0.000 0.269 618 L C 0.920 177.972 176.870 0.305 0.000 1.084 618 L CA -1.015 53.985 54.840 0.266 0.000 0.802 618 L CB 1.096 43.259 42.059 0.173 0.000 1.175 618 L HN 0.375 nan 8.230 nan 0.000 0.448 619 A N 3.099 126.152 122.820 0.388 0.000 2.280 619 A HA 0.556 4.876 4.320 -0.001 0.000 0.268 619 A C -2.360 175.342 177.584 0.196 0.000 1.111 619 A CA -1.295 50.773 52.037 0.052 0.000 0.814 619 A CB -0.447 18.279 19.000 -0.457 0.000 1.093 619 A HN 0.443 nan 8.150 nan 0.000 0.498 620 P HA 0.095 nan 4.420 nan 0.000 0.268 620 P C 0.567 178.035 177.300 0.280 0.000 1.204 620 P CA -0.072 63.147 63.100 0.199 0.000 0.768 620 P CB 0.188 31.949 31.700 0.102 0.000 0.842 621 F N 4.058 124.223 119.950 0.358 0.000 2.039 621 F HA -0.380 4.146 4.527 -0.001 0.000 0.296 621 F C 1.703 177.535 175.800 0.053 0.000 1.119 621 F CA 2.085 60.272 58.000 0.312 0.000 1.211 621 F CB -0.504 38.655 39.000 0.264 0.000 0.956 621 F HN 0.283 nan 8.300 nan 0.000 0.496 622 D N -0.308 120.323 120.400 0.384 0.000 2.172 622 D HA -0.194 4.446 4.640 -0.001 0.000 0.196 622 D C 2.276 178.536 176.300 -0.067 0.000 0.999 622 D CA 2.004 56.129 54.000 0.210 0.000 0.856 622 D CB -0.748 40.206 40.800 0.257 0.000 0.934 622 D HN 0.394 nan 8.370 nan 0.000 0.453 623 T N -0.009 114.449 114.554 -0.160 0.000 2.720 623 T HA -0.192 4.157 4.350 -0.001 0.000 0.268 623 T C 1.723 176.159 174.700 -0.441 0.000 1.037 623 T CA 0.900 62.833 62.100 -0.280 0.000 1.144 623 T CB -0.503 68.153 68.868 -0.355 0.000 0.864 623 T HN 0.311 nan 8.240 nan 0.000 0.444 624 Y N 0.197 120.095 120.300 -0.669 0.000 2.465 624 Y HA -0.135 4.414 4.550 -0.001 0.000 0.289 624 Y C 2.306 177.670 175.900 -0.892 0.000 1.150 624 Y CA 1.055 58.530 58.100 -1.042 0.000 1.293 624 Y CB -0.317 36.815 38.460 -2.213 0.000 0.977 624 Y HN 0.487 nan 8.280 nan 0.000 0.556 625 H N -1.394 117.389 119.070 -0.478 0.000 2.525 625 H HA -0.022 4.533 4.556 -0.001 0.000 0.275 625 H C 1.737 177.010 175.328 -0.091 0.000 0.984 625 H CA 0.415 56.320 56.048 -0.239 0.000 1.264 625 H CB 0.453 30.126 29.762 -0.148 0.000 1.432 625 H HN 0.162 nan 8.280 nan 0.000 0.549 626 E N 0.440 120.651 120.200 0.020 0.000 2.442 626 E HA 0.050 4.400 4.350 -0.001 0.000 0.195 626 E C -0.061 176.544 176.600 0.007 0.000 1.030 626 E CA 0.200 56.619 56.400 0.033 0.000 0.869 626 E CB 0.816 30.526 29.700 0.017 0.000 0.857 626 E HN 0.140 nan 8.360 nan 0.000 0.505 627 V N 0.352 120.247 119.914 -0.032 0.000 3.046 627 V HA 0.363 4.482 4.120 -0.001 0.000 0.316 627 V C 0.049 176.156 176.094 0.020 0.000 1.104 627 V CA -0.924 61.365 62.300 -0.017 0.000 1.006 627 V CB 1.932 33.721 31.823 -0.057 0.000 1.058 627 V HN -0.143 nan 8.190 nan 0.000 0.440 628 R N 2.023 122.546 120.500 0.039 0.000 4.071 628 R HA 0.558 4.897 4.340 -0.001 0.000 0.220 628 R C 0.539 176.903 176.300 0.106 0.000 1.614 628 R CA 0.685 56.829 56.100 0.073 0.000 1.505 628 R CB 0.144 30.477 30.300 0.055 0.000 1.384 628 R HN 1.237 nan 8.270 nan 0.000 0.758 629 G N 0.569 109.457 108.800 0.146 0.000 2.785 629 G HA2 -0.236 3.723 3.960 -0.001 0.000 0.685 629 G HA3 -0.236 3.723 3.960 -0.001 0.000 0.685 629 G C -0.962 173.984 174.900 0.077 0.000 1.480 629 G CA -0.932 44.267 45.100 0.165 0.000 0.915 629 G HN 0.343 nan 8.290 nan 0.000 0.576 630 L N 1.314 122.627 121.223 0.149 0.000 2.470 630 L HA 0.408 4.748 4.340 -0.001 0.000 0.268 630 L C -0.320 176.647 176.870 0.162 0.000 0.964 630 L CA -1.313 53.601 54.840 0.122 0.000 0.839 630 L CB 2.339 44.480 42.059 0.137 0.000 1.276 630 L HN 0.794 nan 8.230 nan 0.000 0.403 631 H N 1.253 120.309 119.070 -0.022 0.000 2.803 631 H HA 0.122 4.677 4.556 -0.001 0.000 0.330 631 H C -0.522 174.784 175.328 -0.036 0.000 1.057 631 H CA -0.719 55.250 56.048 -0.132 0.000 1.458 631 H CB 0.271 29.856 29.762 -0.296 0.000 1.470 631 H HN 0.542 nan 8.280 nan 0.000 0.560 632 W N 2.776 124.135 121.300 0.099 0.000 2.251 632 W HA 0.547 5.206 4.660 -0.001 0.000 0.329 632 W C -2.779 173.738 176.519 -0.002 0.000 1.234 632 W CA -1.995 55.393 57.345 0.072 0.000 1.228 632 W CB 0.924 30.445 29.460 0.102 0.000 1.135 632 W HN 0.563 nan 8.180 nan 0.000 0.576 633 P HA -0.101 nan 4.420 nan 0.000 0.457 633 P C -1.252 176.212 177.300 0.275 0.000 0.915 633 P CA -0.565 62.748 63.100 0.355 0.000 1.166 633 P CB -1.000 30.867 31.700 0.280 0.000 2.763 634 V N 2.298 122.371 119.914 0.265 0.000 2.322 634 V HA 0.301 4.420 4.120 -0.001 0.000 0.258 634 V C 0.740 176.922 176.094 0.148 0.000 1.074 634 V CA -0.393 62.018 62.300 0.185 0.000 0.909 634 V CB 1.416 33.339 31.823 0.167 0.000 1.090 634 V HN 0.200 nan 8.190 nan 0.000 0.486 635 V N 4.697 124.691 119.914 0.133 0.000 2.347 635 V HA 0.401 4.521 4.120 -0.001 0.000 0.280 635 V C 0.695 176.819 176.094 0.050 0.000 1.021 635 V CA -0.462 61.897 62.300 0.097 0.000 0.847 635 V CB 0.806 32.687 31.823 0.097 0.000 0.990 635 V HN 1.013 nan 8.190 nan 0.000 0.444 636 E N 3.690 123.911 120.200 0.035 0.000 2.513 636 E HA -0.252 4.097 4.350 -0.001 0.000 0.257 636 E C 1.183 177.792 176.600 0.015 0.000 1.098 636 E CA 0.583 56.994 56.400 0.018 0.000 0.752 636 E CB -1.273 28.431 29.700 0.007 0.000 1.324 636 E HN 1.504 nan 8.360 nan 0.000 0.403 637 G N 0.197 109.005 108.800 0.013 0.000 2.155 637 G HA2 -0.335 3.624 3.960 -0.001 0.000 0.257 637 G HA3 -0.335 3.624 3.960 -0.001 0.000 0.257 637 G C -0.081 174.822 174.900 0.004 0.000 0.983 637 G CA 0.831 45.926 45.100 -0.009 0.000 0.676 637 G HN 0.345 nan 8.290 nan 0.000 0.528 638 E N 0.957 121.176 120.200 0.031 0.000 2.165 638 E HA 0.344 4.693 4.350 -0.001 0.000 0.266 638 E C 0.460 177.102 176.600 0.070 0.000 0.889 638 E CA -0.534 55.894 56.400 0.045 0.000 0.756 638 E CB 1.102 30.829 29.700 0.045 0.000 1.131 638 E HN 0.757 nan 8.360 nan 0.000 0.411 639 E N 1.569 121.814 120.200 0.075 0.000 2.392 639 E HA 0.256 4.606 4.350 -0.001 0.000 0.259 639 E C -0.636 175.981 176.600 0.027 0.000 1.108 639 E CA -0.325 56.130 56.400 0.093 0.000 0.916 639 E CB 0.636 30.436 29.700 0.167 0.000 0.989 639 E HN 0.058 nan 8.360 nan 0.000 0.432 640 T N 2.010 116.542 114.554 -0.036 0.000 2.772 640 T HA 0.240 4.590 4.350 -0.001 0.000 0.288 640 T C 0.526 174.969 174.700 -0.429 0.000 0.994 640 T CA -0.691 61.335 62.100 -0.124 0.000 0.951 640 T CB 1.158 70.007 68.868 -0.031 0.000 0.933 640 T HN 0.441 nan 8.240 nan 0.000 0.447 641 R N 2.116 122.282 120.500 -0.557 0.000 2.054 641 R HA 0.100 4.440 4.340 -0.001 0.000 0.223 641 R C 0.345 176.054 176.300 -0.985 0.000 1.176 641 R CA 0.735 56.182 56.100 -1.088 0.000 0.934 641 R CB 0.196 29.609 30.300 -1.477 0.000 0.828 641 R HN 0.517 nan 8.270 nan 0.000 0.441 642 W N 2.393 123.465 121.300 -0.379 0.000 2.361 642 W HA 0.371 5.031 4.660 -0.001 0.000 0.309 642 W C 0.058 176.463 176.519 -0.190 0.000 1.122 642 W CA -0.674 56.482 57.345 -0.314 0.000 1.208 642 W CB 0.607 29.811 29.460 -0.426 0.000 1.246 642 W HN 0.074 nan 8.180 nan 0.000 0.490 643 R N 2.071 122.481 120.500 -0.150 0.000 2.457 643 R HA 0.253 4.592 4.340 -0.001 0.000 0.284 643 R C -0.606 175.500 176.300 -0.324 0.000 1.024 643 R CA -0.476 55.391 56.100 -0.389 0.000 1.025 643 R CB 0.732 30.474 30.300 -0.931 0.000 1.063 643 R HN 0.418 nan 8.270 nan 0.000 0.493 644 Y N -1.515 118.844 120.300 0.099 0.000 4.569 644 Y HA -0.262 4.288 4.550 -0.001 0.000 0.237 644 Y C -0.279 175.627 175.900 0.010 0.000 1.090 644 Y CA 0.150 58.246 58.100 -0.006 0.000 2.052 644 Y CB -1.565 36.759 38.460 -0.228 0.000 1.621 644 Y HN 0.511 nan 8.280 nan 0.000 0.682 645 R N 1.520 122.170 120.500 0.249 0.000 2.476 645 R HA 0.325 4.665 4.340 -0.001 0.000 0.305 645 R C 0.151 176.552 176.300 0.169 0.000 0.965 645 R CA -0.778 55.445 56.100 0.204 0.000 0.867 645 R CB 1.667 32.166 30.300 0.332 0.000 1.176 645 R HN 0.483 nan 8.270 nan 0.000 0.447 646 E N 1.125 121.373 120.200 0.080 0.000 2.502 646 E HA 0.064 4.414 4.350 -0.001 0.000 0.261 646 E C 0.760 177.323 176.600 -0.062 0.000 0.974 646 E CA 1.321 57.738 56.400 0.028 0.000 0.936 646 E CB 0.325 30.028 29.700 0.005 0.000 0.926 646 E HN 0.783 nan 8.360 nan 0.000 0.459 647 G N 3.546 112.305 108.800 -0.069 0.000 2.358 647 G HA2 -0.329 3.630 3.960 -0.001 0.000 0.224 647 G HA3 -0.329 3.630 3.960 -0.001 0.000 0.224 647 G C 0.504 175.313 174.900 -0.152 0.000 1.073 647 G CA 0.264 45.253 45.100 -0.185 0.000 0.635 647 G HN 0.534 nan 8.290 nan 0.000 0.509 648 F N 1.569 121.574 119.950 0.091 0.000 2.274 648 F HA 0.387 4.913 4.527 -0.000 0.000 0.288 648 F C 1.236 177.108 175.800 0.119 0.000 1.069 648 F CA 0.432 58.518 58.000 0.144 0.000 1.343 648 F CB 0.125 39.267 39.000 0.237 0.000 1.089 648 F HN 0.127 nan 8.300 nan 0.000 0.517 649 D N 1.312 121.897 120.400 0.308 0.000 2.233 649 D HA 0.191 4.831 4.640 -0.001 0.000 0.240 649 D C -1.917 174.501 176.300 0.197 0.000 1.074 649 D CA -2.450 51.707 54.000 0.261 0.000 0.838 649 D CB 1.973 42.962 40.800 0.315 0.000 1.124 649 D HN -0.037 nan 8.370 nan 0.000 0.475 650 P HA -0.058 nan 4.420 nan 0.000 0.236 650 P C 0.656 177.851 177.300 -0.175 0.000 1.177 650 P CA 0.405 63.495 63.100 -0.017 0.000 0.773 650 P CB 0.119 31.779 31.700 -0.065 0.000 0.878 651 Y N -0.172 120.095 120.300 -0.056 0.000 2.529 651 Y HA 0.064 4.614 4.550 -0.001 0.000 0.290 651 Y C 1.139 176.917 175.900 -0.204 0.000 1.177 651 Y CA 0.132 58.065 58.100 -0.279 0.000 1.305 651 Y CB -0.139 37.875 38.460 -0.743 0.000 1.047 651 Y HN -0.269 nan 8.280 nan 0.000 0.522 652 V N 1.594 121.562 119.914 0.091 0.000 2.350 652 V HA 0.152 4.272 4.120 -0.001 0.000 0.276 652 V C -0.024 176.085 176.094 0.025 0.000 1.028 652 V CA -1.456 60.919 62.300 0.125 0.000 0.860 652 V CB 1.078 33.015 31.823 0.190 0.000 0.990 652 V HN 0.088 nan 8.190 nan 0.000 0.453 653 K N 6.109 126.514 120.400 0.008 0.000 2.382 653 K HA 0.185 4.504 4.320 -0.001 0.000 0.275 653 K C -1.559 175.037 176.600 -0.007 0.000 1.009 653 K CA -1.152 55.124 56.287 -0.019 0.000 0.970 653 K CB 0.528 33.017 32.500 -0.018 0.000 0.934 653 K HN 0.322 nan 8.250 nan 0.000 0.479 654 P HA -0.257 nan 4.420 nan 0.000 0.221 654 P C 0.410 177.705 177.300 -0.008 0.000 1.160 654 P CA 1.431 64.520 63.100 -0.018 0.000 0.933 654 P CB 0.013 31.698 31.700 -0.025 0.000 0.793 655 G N -0.979 107.819 108.800 -0.004 0.000 2.915 655 G HA2 0.161 4.121 3.960 -0.001 0.000 0.298 655 G HA3 0.161 4.121 3.960 -0.001 0.000 0.298 655 G C 0.267 175.176 174.900 0.014 0.000 0.837 655 G CA 0.002 45.103 45.100 0.002 0.000 1.752 655 G HN 0.235 nan 8.290 nan 0.000 0.526 656 E N 0.159 120.373 120.200 0.024 0.000 3.777 656 E HA 0.345 4.695 4.350 -0.001 0.000 0.247 656 E C 1.612 178.250 176.600 0.064 0.000 1.256 656 E CA 0.590 57.017 56.400 0.045 0.000 1.786 656 E CB 0.286 30.016 29.700 0.050 0.000 1.722 656 E HN 0.647 nan 8.360 nan 0.000 0.810 657 G N 0.970 109.798 108.800 0.047 0.000 4.731 657 G HA2 -0.225 3.734 3.960 -0.001 0.000 0.266 657 G HA3 -0.225 3.734 3.960 -0.001 0.000 0.266 657 G C -0.367 174.536 174.900 0.005 0.000 1.635 657 G CA 0.109 45.237 45.100 0.046 0.000 1.229 657 G HN 0.179 nan 8.290 nan 0.000 0.663 658 L N 0.335 121.516 121.223 -0.069 0.000 2.354 658 L HA 0.932 5.271 4.340 -0.001 0.000 0.264 658 L C -0.065 176.660 176.870 -0.242 0.000 1.008 658 L CA -0.763 53.905 54.840 -0.287 0.000 0.819 658 L CB 2.387 43.995 42.059 -0.752 0.000 1.339 658 L HN 0.758 nan 8.230 nan 0.000 0.420 659 R N 2.218 122.532 120.500 -0.309 0.000 3.146 659 R HA 0.247 4.586 4.340 -0.001 0.000 0.283 659 R C -1.772 174.369 176.300 -0.265 0.000 1.375 659 R CA -0.371 55.636 56.100 -0.156 0.000 1.029 659 R CB 0.100 30.458 30.300 0.096 0.000 1.375 659 R HN 0.326 nan 8.270 nan 0.000 0.380 660 F N 6.017 125.812 119.950 -0.258 0.000 2.659 660 F HA 0.089 4.616 4.527 -0.001 0.000 0.356 660 F C 0.944 176.486 175.800 -0.431 0.000 1.273 660 F CA -0.192 57.387 58.000 -0.702 0.000 1.243 660 F CB -0.381 38.360 39.000 -0.431 0.000 1.683 660 F HN 0.516 nan 8.300 nan 0.000 0.679 661 Y N -1.202 119.068 120.300 -0.049 0.000 2.749 661 Y HA 0.146 4.695 4.550 -0.001 0.000 0.321 661 Y C 1.599 177.546 175.900 0.077 0.000 1.195 661 Y CA -0.196 57.940 58.100 0.060 0.000 1.338 661 Y CB -1.230 37.306 38.460 0.128 0.000 1.017 661 Y HN 0.370 nan 8.280 nan 0.000 0.517 662 G N 0.360 109.162 108.800 0.004 0.000 2.453 662 G HA2 -0.042 3.917 3.960 -0.001 0.000 0.215 662 G HA3 -0.042 3.917 3.960 -0.001 0.000 0.215 662 G C 0.810 175.772 174.900 0.104 0.000 1.147 662 G CA -0.181 44.981 45.100 0.102 0.000 0.802 662 G HN 0.062 nan 8.290 nan 0.000 0.535 663 K N 0.530 120.968 120.400 0.063 0.000 2.144 663 K HA 0.271 4.590 4.320 -0.001 0.000 0.270 663 K C -1.641 175.005 176.600 0.078 0.000 1.005 663 K CA -2.087 54.231 56.287 0.051 0.000 0.932 663 K CB 1.845 34.351 32.500 0.009 0.000 1.021 663 K HN -0.115 nan 8.250 nan 0.000 0.462 664 P HA -0.149 nan 4.420 nan 0.000 0.214 664 P C 0.589 177.925 177.300 0.059 0.000 1.162 664 P CA 1.222 64.362 63.100 0.067 0.000 0.879 664 P CB 0.178 31.907 31.700 0.048 0.000 0.786 665 D N -1.175 119.249 120.400 0.040 0.000 2.348 665 D HA -0.011 4.628 4.640 -0.001 0.000 0.216 665 D C 1.252 177.580 176.300 0.047 0.000 0.970 665 D CA 1.067 55.086 54.000 0.032 0.000 0.889 665 D CB -1.069 39.738 40.800 0.012 0.000 0.912 665 D HN 0.260 nan 8.370 nan 0.000 0.524 666 G N 0.802 109.642 108.800 0.067 0.000 2.225 666 G HA2 -0.299 3.660 3.960 -0.001 0.000 0.264 666 G HA3 -0.299 3.660 3.960 -0.001 0.000 0.264 666 G C -0.134 174.848 174.900 0.137 0.000 1.060 666 G CA -0.070 45.089 45.100 0.098 0.000 0.833 666 G HN 0.453 nan 8.290 nan 0.000 0.498 667 R N -0.467 120.088 120.500 0.092 0.000 2.621 667 R HA 0.711 5.051 4.340 -0.001 0.000 0.292 667 R C 0.196 176.449 176.300 -0.077 0.000 0.969 667 R CA -0.184 55.960 56.100 0.073 0.000 0.887 667 R CB 1.904 32.189 30.300 -0.026 0.000 1.180 667 R HN 0.525 nan 8.270 nan 0.000 0.450 668 A N 2.597 125.274 122.820 -0.240 0.000 2.327 668 A HA 0.432 4.752 4.320 -0.001 0.000 0.283 668 A C 0.107 177.362 177.584 -0.548 0.000 1.127 668 A CA -0.536 51.086 52.037 -0.691 0.000 0.810 668 A CB 0.790 18.970 19.000 -1.367 0.000 1.066 668 A HN 0.443 nan 8.150 nan 0.000 0.492 669 V N 3.060 122.643 119.914 -0.551 0.000 2.649 669 V HA 0.222 4.342 4.120 -0.001 0.000 0.292 669 V C 0.201 175.984 176.094 -0.517 0.000 1.055 669 V CA 0.115 62.142 62.300 -0.454 0.000 1.023 669 V CB 0.965 32.595 31.823 -0.321 0.000 0.992 669 V HN 0.663 nan 8.190 nan 0.000 0.480 670 I N 4.999 125.197 120.570 -0.620 0.000 2.355 670 I HA 0.323 4.493 4.170 -0.001 0.000 0.288 670 I C -0.710 175.112 176.117 -0.493 0.000 0.999 670 I CA -0.585 60.301 61.300 -0.689 0.000 1.163 670 I CB 1.662 38.910 38.000 -1.254 0.000 1.316 670 I HN 0.396 nan 8.210 nan 0.000 0.454 671 L N 6.039 127.057 121.223 -0.342 0.000 2.289 671 L HA 0.559 4.898 4.340 -0.001 0.000 0.285 671 L C 0.491 177.360 176.870 -0.003 0.000 1.049 671 L CA 0.045 54.721 54.840 -0.273 0.000 0.804 671 L CB 1.495 43.224 42.059 -0.550 0.000 1.195 671 L HN 0.586 nan 8.230 nan 0.000 0.428 672 G N 4.502 113.367 108.800 0.108 0.000 2.350 672 G HA2 0.525 4.485 3.960 -0.001 0.000 0.306 672 G HA3 0.525 4.485 3.960 -0.001 0.000 0.306 672 G C -1.174 173.636 174.900 -0.151 0.000 1.094 672 G CA -0.186 45.049 45.100 0.224 0.000 0.953 672 G HN 0.479 nan 8.290 nan 0.000 0.420 673 V N 4.973 124.732 119.914 -0.259 0.000 2.962 673 V HA 0.719 4.838 4.120 -0.001 0.000 0.313 673 V C -2.204 173.665 176.094 -0.374 0.000 1.099 673 V CA -1.666 60.275 62.300 -0.599 0.000 0.971 673 V CB 3.499 34.689 31.823 -1.055 0.000 1.028 673 V HN 0.701 nan 8.190 nan 0.000 0.430 674 P HA 0.289 nan 4.420 nan 0.000 0.296 674 P C -1.384 176.051 177.300 0.225 0.000 1.301 674 P CA -0.530 62.597 63.100 0.044 0.000 0.862 674 P CB 1.088 32.826 31.700 0.064 0.000 1.046 675 Y N 2.052 122.480 120.300 0.215 0.000 2.683 675 Y HA 0.175 4.724 4.550 -0.001 0.000 0.340 675 Y C 0.020 176.106 175.900 0.311 0.000 1.245 675 Y CA 0.789 59.016 58.100 0.211 0.000 1.485 675 Y CB 0.556 39.119 38.460 0.173 0.000 1.328 675 Y HN 0.456 nan 8.280 nan 0.000 0.603 676 E N 6.047 125.705 120.200 -0.903 0.000 2.416 676 E HA 0.491 4.841 4.350 -0.001 0.000 0.273 676 E C -2.791 173.224 176.600 -0.976 0.000 0.935 676 E CA -2.417 53.561 56.400 -0.704 0.000 0.784 676 E CB 2.541 32.131 29.700 -0.184 0.000 1.301 676 E HN 0.435 nan 8.360 nan 0.000 0.454 677 P HA 0.353 nan 4.420 nan 0.000 0.285 677 P C -2.734 174.685 177.300 0.198 0.000 1.280 677 P CA -1.849 61.264 63.100 0.022 0.000 0.862 677 P CB 0.850 32.655 31.700 0.176 0.000 1.153 678 P HA 0.025 nan 4.420 nan 0.000 0.270 678 P C 0.732 177.984 177.300 -0.080 0.000 1.223 678 P CA 0.029 63.231 63.100 0.171 0.000 0.785 678 P CB 0.335 32.173 31.700 0.231 0.000 0.923 679 A N 1.594 124.262 122.820 -0.254 0.000 1.908 679 A HA -0.175 4.144 4.320 -0.001 0.000 0.218 679 A C 1.039 178.392 177.584 -0.386 0.000 1.181 679 A CA 1.552 53.158 52.037 -0.718 0.000 0.627 679 A CB -0.684 18.081 19.000 -0.392 0.000 0.818 679 A HN 0.717 nan 8.150 nan 0.000 0.445 680 E N -0.368 119.738 120.200 -0.156 0.000 2.241 680 E HA 0.524 4.874 4.350 -0.001 0.000 0.263 680 E C -1.317 175.250 176.600 -0.056 0.000 0.882 680 E CA -0.419 55.910 56.400 -0.118 0.000 0.769 680 E CB 1.452 31.076 29.700 -0.127 0.000 1.185 680 E HN 0.246 nan 8.360 nan 0.000 0.415 681 S N 4.073 119.689 115.700 -0.140 0.000 2.621 681 S HA 0.577 5.046 4.470 -0.001 0.000 0.302 681 S C -2.527 171.806 174.600 -0.445 0.000 1.093 681 S CA -1.334 56.654 58.200 -0.353 0.000 1.017 681 S CB 1.532 64.653 63.200 -0.132 0.000 1.077 681 S HN 0.507 nan 8.310 nan 0.000 0.517 682 P HA 0.165 nan 4.420 nan 0.000 0.266 682 P C -0.649 176.513 177.300 -0.230 0.000 1.195 682 P CA 0.103 62.932 63.100 -0.451 0.000 0.768 682 P CB 0.497 31.822 31.700 -0.625 0.000 0.838 683 D N 1.246 121.593 120.400 -0.089 0.000 2.538 683 D HA 0.106 4.746 4.640 -0.001 0.000 0.262 683 D C 0.944 177.216 176.300 -0.046 0.000 1.186 683 D CA -0.414 53.569 54.000 -0.029 0.000 1.090 683 D CB 0.843 41.686 40.800 0.072 0.000 1.187 683 D HN 0.420 nan 8.370 nan 0.000 0.614 684 E N 0.095 120.279 120.200 -0.027 0.000 2.166 684 E HA -0.074 4.276 4.350 -0.001 0.000 0.192 684 E C 1.546 178.090 176.600 -0.093 0.000 0.967 684 E CA 0.248 56.611 56.400 -0.063 0.000 0.840 684 E CB 0.459 30.130 29.700 -0.049 0.000 0.795 684 E HN 0.357 nan 8.360 nan 0.000 0.470 685 E N -0.486 119.668 120.200 -0.078 0.000 2.046 685 E HA -0.077 4.272 4.350 -0.001 0.000 0.190 685 E C -0.337 176.002 176.600 -0.435 0.000 0.982 685 E CA 0.605 56.843 56.400 -0.270 0.000 0.800 685 E CB 0.166 29.694 29.700 -0.285 0.000 0.756 685 E HN 0.078 nan 8.360 nan 0.000 0.449 686 F N 0.167 120.077 119.950 -0.067 0.000 2.300 686 F HA 0.363 4.889 4.527 -0.001 0.000 0.364 686 F C 1.035 176.763 175.800 -0.121 0.000 1.090 686 F CA -0.470 57.495 58.000 -0.057 0.000 1.200 686 F CB 1.391 40.362 39.000 -0.049 0.000 1.493 686 F HN -0.000 nan 8.300 nan 0.000 0.518 687 G N 1.534 110.295 108.800 -0.065 0.000 2.572 687 G HA2 -0.052 3.908 3.960 -0.001 0.000 0.216 687 G HA3 -0.052 3.908 3.960 -0.001 0.000 0.216 687 G C 0.323 175.031 174.900 -0.321 0.000 1.133 687 G CA 0.187 45.143 45.100 -0.241 0.000 0.791 687 G HN 0.316 nan 8.290 nan 0.000 0.538 688 F N -1.131 118.803 119.950 -0.027 0.000 2.397 688 F HA 0.508 5.034 4.527 -0.001 0.000 0.331 688 F C 0.005 175.814 175.800 0.015 0.000 1.090 688 F CA -1.400 56.610 58.000 0.016 0.000 1.065 688 F CB 1.191 40.239 39.000 0.081 0.000 1.184 688 F HN -0.038 nan 8.300 nan 0.000 0.499 689 W N 4.327 125.814 121.300 0.312 0.000 2.316 689 W HA 0.438 5.097 4.660 -0.001 0.000 0.311 689 W C -0.722 175.906 176.519 0.183 0.000 1.217 689 W CA -0.746 56.719 57.345 0.199 0.000 1.199 689 W CB 1.077 30.641 29.460 0.173 0.000 1.202 689 W HN 0.121 nan 8.180 nan 0.000 0.528 690 L N 6.439 127.925 121.223 0.437 0.000 2.272 690 L HA 0.476 4.816 4.340 -0.001 0.000 0.284 690 L C -0.624 176.390 176.870 0.240 0.000 1.045 690 L CA -0.570 54.425 54.840 0.259 0.000 0.842 690 L CB 0.164 42.319 42.059 0.160 0.000 1.224 690 L HN 0.124 nan 8.230 nan 0.000 0.430 691 V N 3.777 123.831 119.914 0.234 0.000 2.644 691 V HA 0.608 4.728 4.120 -0.001 0.000 0.295 691 V C 0.479 176.632 176.094 0.097 0.000 1.053 691 V CA -0.383 62.078 62.300 0.269 0.000 0.987 691 V CB 1.560 33.658 31.823 0.460 0.000 1.006 691 V HN 0.808 nan 8.190 nan 0.000 0.472 692 T N 2.439 117.050 114.554 0.095 0.000 2.886 692 T HA 0.783 5.133 4.350 -0.001 0.000 0.292 692 T C 0.199 174.916 174.700 0.028 0.000 1.012 692 T CA 0.292 62.296 62.100 -0.159 0.000 0.982 692 T CB 1.770 70.599 68.868 -0.065 0.000 1.018 692 T HN 1.137 nan 8.240 nan 0.000 0.451 693 G N 2.380 111.109 108.800 -0.118 0.000 2.726 693 G HA2 0.655 4.614 3.960 -0.001 0.000 0.198 693 G HA3 0.655 4.614 3.960 -0.001 0.000 0.198 693 G C -1.371 173.796 174.900 0.445 0.000 1.195 693 G CA -0.625 44.722 45.100 0.413 0.000 0.951 693 G HN 0.638 nan 8.290 nan 0.000 0.532 694 R N -2.025 118.768 120.500 0.489 0.000 2.987 694 R HA 0.821 5.161 4.340 -0.001 0.000 0.248 694 R C -1.509 174.914 176.300 0.206 0.000 1.264 694 R CA -0.696 55.548 56.100 0.241 0.000 1.026 694 R CB 2.203 32.562 30.300 0.099 0.000 1.286 694 R HN 0.360 nan 8.270 nan 0.000 0.483 695 V N 1.367 121.280 119.914 -0.002 0.000 2.888 695 V HA 0.102 4.221 4.120 -0.001 0.000 0.309 695 V C 0.630 176.602 176.094 -0.203 0.000 1.114 695 V CA -0.612 61.621 62.300 -0.112 0.000 0.940 695 V CB 2.003 33.623 31.823 -0.339 0.000 1.021 695 V HN 0.710 nan 8.190 nan 0.000 0.426 696 L N 3.937 125.063 121.223 -0.162 0.000 2.034 696 L HA -0.218 4.121 4.340 -0.001 0.000 0.217 696 L C 1.999 178.711 176.870 -0.263 0.000 1.077 696 L CA 2.539 57.273 54.840 -0.176 0.000 0.769 696 L CB -0.238 41.752 42.059 -0.116 0.000 0.890 696 L HN 0.872 nan 8.230 nan 0.000 0.435 697 E N -1.312 118.673 120.200 -0.357 0.000 2.347 697 E HA -0.010 4.339 4.350 -0.001 0.000 0.196 697 E C -0.077 176.026 176.600 -0.828 0.000 1.008 697 E CA 0.648 56.718 56.400 -0.549 0.000 0.852 697 E CB -0.062 29.283 29.700 -0.591 0.000 0.783 697 E HN 0.543 nan 8.360 nan 0.000 0.505 698 H N -1.269 117.503 119.070 -0.496 0.000 2.637 698 H HA 0.152 4.708 4.556 -0.001 0.000 0.363 698 H C -1.141 173.936 175.328 -0.419 0.000 1.131 698 H CA -0.880 54.846 56.048 -0.537 0.000 1.183 698 H CB 0.962 30.173 29.762 -0.918 0.000 1.637 698 H HN 0.157 nan 8.280 nan 0.000 0.531 699 W N 5.629 126.673 121.300 -0.426 0.000 2.291 699 W HA 0.138 4.797 4.660 -0.001 0.000 0.312 699 W C -0.272 176.030 176.519 -0.361 0.000 1.061 699 W CA -0.149 56.889 57.345 -0.512 0.000 1.296 699 W CB 0.079 29.148 29.460 -0.651 0.000 1.223 699 W HN 0.848 nan 8.180 nan 0.000 0.421 700 H N 1.705 120.226 119.070 -0.915 0.000 1.452 700 H HA -0.300 4.255 4.556 -0.001 0.000 0.090 700 H C 1.811 176.435 175.328 -1.173 0.000 0.726 700 H CA 2.372 57.705 56.048 -1.193 0.000 1.901 700 H CB -1.652 27.671 29.762 -0.732 0.000 2.257 700 H HN 0.408 nan 8.280 nan 0.000 0.961 701 S N 1.419 116.882 115.700 -0.395 0.000 2.555 701 S HA 0.184 4.654 4.470 -0.001 0.000 0.230 701 S C 1.747 176.293 174.600 -0.089 0.000 0.978 701 S CA 1.543 59.635 58.200 -0.182 0.000 0.934 701 S CB -0.034 63.200 63.200 0.057 0.000 0.766 701 S HN 1.040 nan 8.310 nan 0.000 0.533 702 G N 1.442 110.197 108.800 -0.076 0.000 2.175 702 G HA2 -0.354 3.606 3.960 -0.001 0.000 0.265 702 G HA3 -0.354 3.606 3.960 -0.001 0.000 0.265 702 G C 0.956 175.852 174.900 -0.007 0.000 0.979 702 G CA 0.734 45.799 45.100 -0.060 0.000 0.663 702 G HN 0.659 nan 8.290 nan 0.000 0.533 703 S N -0.647 115.086 115.700 0.054 0.000 2.440 703 S HA 0.003 4.472 4.470 -0.001 0.000 0.238 703 S C 2.168 176.761 174.600 -0.011 0.000 1.010 703 S CA 1.787 60.013 58.200 0.044 0.000 0.972 703 S CB -0.158 63.151 63.200 0.182 0.000 0.774 703 S HN 0.613 nan 8.310 nan 0.000 0.501 704 M N 0.983 120.649 119.600 0.110 0.000 2.906 704 M HA 0.031 4.511 4.480 -0.001 0.000 0.252 704 M C 2.632 178.982 176.300 0.083 0.000 1.359 704 M CA 1.358 56.731 55.300 0.122 0.000 1.239 704 M CB -0.632 32.112 32.600 0.239 0.000 1.229 704 M HN 0.469 nan 8.290 nan 0.000 0.547 705 T N -0.296 114.337 114.554 0.132 0.000 2.951 705 T HA 0.025 4.375 4.350 -0.001 0.000 0.268 705 T C 1.633 176.409 174.700 0.127 0.000 1.073 705 T CA 0.791 62.956 62.100 0.109 0.000 1.134 705 T CB -0.567 68.349 68.868 0.080 0.000 0.884 705 T HN 0.266 nan 8.240 nan 0.000 0.479 706 L N 0.045 121.305 121.223 0.062 0.000 2.622 706 L HA 0.184 4.523 4.340 -0.001 0.000 0.233 706 L C 2.813 179.634 176.870 -0.082 0.000 1.156 706 L CA 0.660 55.517 54.840 0.029 0.000 0.866 706 L CB -0.228 41.776 42.059 -0.092 0.000 0.980 706 L HN 0.233 nan 8.230 nan 0.000 0.448 707 R N -1.564 118.872 120.500 -0.107 0.000 2.282 707 R HA 0.020 4.360 4.340 -0.001 0.000 0.195 707 R C 0.656 176.913 176.300 -0.072 0.000 0.909 707 R CA 0.238 56.241 56.100 -0.162 0.000 1.039 707 R CB -0.001 30.112 30.300 -0.311 0.000 1.015 707 R HN 0.323 nan 8.270 nan 0.000 0.513 708 W N 2.938 124.219 121.300 -0.031 0.000 2.485 708 W HA 0.247 4.907 4.660 -0.001 0.000 0.315 708 W C -2.095 174.380 176.519 -0.073 0.000 1.304 708 W CA -2.624 54.691 57.345 -0.049 0.000 1.345 708 W CB -0.165 29.255 29.460 -0.066 0.000 1.368 708 W HN -0.068 nan 8.180 nan 0.000 0.497 709 P HA -0.313 nan 4.420 nan 0.000 0.215 709 P C 1.683 178.934 177.300 -0.081 0.000 1.163 709 P CA 3.266 66.356 63.100 -0.016 0.000 0.894 709 P CB 0.216 31.903 31.700 -0.021 0.000 0.791 710 E N -0.326 119.707 120.200 -0.278 0.000 2.204 710 E HA -0.132 4.218 4.350 -0.001 0.000 0.195 710 E C 2.145 178.572 176.600 -0.288 0.000 0.990 710 E CA 1.051 57.255 56.400 -0.327 0.000 0.821 710 E CB -1.172 28.191 29.700 -0.561 0.000 0.750 710 E HN 0.343 nan 8.360 nan 0.000 0.477 711 L N -0.244 120.791 121.223 -0.314 0.000 2.095 711 L HA -0.088 4.252 4.340 -0.001 0.000 0.204 711 L C 2.655 179.448 176.870 -0.128 0.000 1.080 711 L CA 0.906 55.581 54.840 -0.275 0.000 0.759 711 L CB -0.567 41.311 42.059 -0.303 0.000 0.914 711 L HN 0.029 nan 8.230 nan 0.000 0.439 712 Y N 1.599 121.866 120.300 -0.056 0.000 2.049 712 Y HA -0.287 4.262 4.550 -0.001 0.000 0.277 712 Y C 2.564 178.497 175.900 0.055 0.000 1.143 712 Y CA 1.540 59.688 58.100 0.080 0.000 1.115 712 Y CB -0.365 38.111 38.460 0.028 0.000 0.975 712 Y HN -0.063 nan 8.280 nan 0.000 0.487 713 K N 0.103 120.356 120.400 -0.245 0.000 2.089 713 K HA -0.260 4.060 4.320 -0.001 0.000 0.210 713 K C 2.257 178.724 176.600 -0.223 0.000 1.048 713 K CA 1.569 57.681 56.287 -0.293 0.000 0.926 713 K CB -0.572 31.856 32.500 -0.121 0.000 0.714 713 K HN 0.468 nan 8.250 nan 0.000 0.448 714 A N -0.017 122.715 122.820 -0.147 0.000 2.070 714 A HA -0.103 4.217 4.320 -0.001 0.000 0.220 714 A C 0.909 178.487 177.584 -0.009 0.000 1.159 714 A CA 0.956 52.939 52.037 -0.090 0.000 0.656 714 A CB -0.121 18.824 19.000 -0.092 0.000 0.800 714 A HN 0.405 nan 8.150 nan 0.000 0.453 715 F N -0.999 118.848 119.950 -0.172 0.000 3.015 715 F HA 0.207 4.734 4.527 -0.001 0.000 0.415 715 F C -2.130 173.682 175.800 0.019 0.000 1.185 715 F CA -1.219 56.748 58.000 -0.054 0.000 1.188 715 F CB 1.186 40.155 39.000 -0.053 0.000 2.558 715 F HN -0.014 nan 8.300 nan 0.000 0.587 716 P HA -0.072 nan 4.420 nan 0.000 0.216 716 P C 0.637 178.151 177.300 0.358 0.000 1.157 716 P CA 1.668 64.618 63.100 -0.250 0.000 0.880 716 P CB 0.548 31.954 31.700 -0.490 0.000 0.791 717 G N -1.905 107.143 108.800 0.413 0.000 2.694 717 G HA2 0.591 4.550 3.960 -0.001 0.000 0.290 717 G HA3 0.591 4.550 3.960 -0.001 0.000 0.290 717 G C -1.204 173.949 174.900 0.422 0.000 1.386 717 G CA -0.165 45.179 45.100 0.407 0.000 0.872 717 G HN 0.261 nan 8.290 nan 0.000 0.475 718 A N -0.984 121.779 122.820 -0.095 0.000 2.448 718 A HA 0.616 4.936 4.320 -0.001 0.000 0.239 718 A C 0.078 177.654 177.584 -0.012 0.000 1.080 718 A CA 0.204 52.098 52.037 -0.239 0.000 0.779 718 A CB 0.276 18.952 19.000 -0.541 0.000 1.026 718 A HN 1.608 nan 8.150 nan 0.000 0.499 719 V N -0.394 119.521 119.914 0.002 0.000 3.120 719 V HA 0.434 4.554 4.120 -0.001 0.000 0.303 719 V C -0.370 175.617 176.094 -0.179 0.000 1.238 719 V CA -0.940 61.284 62.300 -0.126 0.000 1.008 719 V CB 1.206 32.872 31.823 -0.261 0.000 1.064 719 V HN 1.209 nan 8.190 nan 0.000 0.434 720 C N 3.655 122.833 119.300 -0.202 0.000 2.265 720 C HA 0.723 5.183 4.460 -0.001 0.000 0.332 720 C C -0.160 174.726 174.990 -0.174 0.000 1.248 720 C CA -0.473 58.468 59.018 -0.129 0.000 1.727 720 C CB -1.415 26.255 27.740 -0.117 0.000 2.348 720 C HN 0.609 nan 8.230 nan 0.000 0.519 721 F N 6.731 126.697 119.950 0.027 0.000 2.427 721 F HA 0.517 5.043 4.527 -0.001 0.000 0.352 721 F C 0.570 176.348 175.800 -0.038 0.000 1.100 721 F CA 0.205 58.211 58.000 0.010 0.000 1.191 721 F CB 0.761 39.770 39.000 0.016 0.000 1.128 721 F HN 0.532 nan 8.300 nan 0.000 0.533 722 M N 2.272 121.933 119.600 0.102 0.000 2.667 722 M HA 0.372 4.852 4.480 -0.001 0.000 0.286 722 M C -1.347 175.027 176.300 0.123 0.000 1.270 722 M CA -0.874 54.462 55.300 0.061 0.000 0.826 722 M CB 2.188 34.761 32.600 -0.045 0.000 1.743 722 M HN 0.692 nan 8.290 nan 0.000 0.460 723 H N 2.286 121.407 119.070 0.086 0.000 2.652 723 H HA 0.278 4.833 4.556 -0.001 0.000 0.349 723 H C -1.870 173.503 175.328 0.075 0.000 1.099 723 H CA -0.583 55.524 56.048 0.098 0.000 1.417 723 H CB 1.064 30.905 29.762 0.132 0.000 1.457 723 H HN 0.254 nan 8.280 nan 0.000 0.568 724 P HA -0.184 nan 4.420 nan 0.000 0.219 724 P C 0.842 178.225 177.300 0.139 0.000 1.146 724 P CA 1.339 64.429 63.100 -0.017 0.000 0.808 724 P CB 0.425 32.056 31.700 -0.114 0.000 0.779 725 E N -0.454 119.988 120.200 0.403 0.000 2.216 725 E HA -0.075 4.275 4.350 -0.001 0.000 0.192 725 E C 1.189 177.921 176.600 0.220 0.000 0.973 725 E CA 0.223 56.801 56.400 0.296 0.000 0.851 725 E CB -0.041 29.831 29.700 0.288 0.000 0.804 725 E HN 0.030 nan 8.360 nan 0.000 0.477 726 D N 0.278 120.844 120.400 0.277 0.000 2.351 726 D HA -0.087 4.553 4.640 -0.001 0.000 0.216 726 D C 1.294 177.721 176.300 0.212 0.000 0.968 726 D CA 0.727 54.874 54.000 0.245 0.000 0.899 726 D CB 0.179 41.209 40.800 0.383 0.000 0.907 726 D HN 0.206 nan 8.370 nan 0.000 0.514 727 A N 0.284 123.200 122.820 0.159 0.000 1.887 727 A HA 0.002 4.322 4.320 -0.001 0.000 0.210 727 A C 2.096 179.725 177.584 0.074 0.000 1.221 727 A CA 0.365 52.458 52.037 0.095 0.000 0.635 727 A CB -0.144 18.890 19.000 0.058 0.000 0.881 727 A HN 0.028 nan 8.150 nan 0.000 0.456 728 R N 0.869 121.413 120.500 0.073 0.000 2.133 728 R HA -0.219 4.120 4.340 -0.001 0.000 0.245 728 R C 2.616 178.946 176.300 0.049 0.000 1.137 728 R CA 2.175 58.307 56.100 0.053 0.000 0.947 728 R CB -0.796 29.538 30.300 0.056 0.000 0.865 728 R HN 0.685 nan 8.270 nan 0.000 0.437 729 S N 1.047 116.784 115.700 0.061 0.000 2.368 729 S HA -0.225 4.245 4.470 -0.001 0.000 0.226 729 S C 1.896 176.522 174.600 0.043 0.000 1.044 729 S CA 1.485 59.714 58.200 0.048 0.000 1.062 729 S CB -0.271 62.960 63.200 0.051 0.000 0.931 729 S HN 0.271 nan 8.310 nan 0.000 0.440 730 R N 1.152 121.688 120.500 0.060 0.000 2.328 730 R HA 0.294 4.634 4.340 -0.001 0.000 0.200 730 R C 1.460 177.780 176.300 0.033 0.000 0.983 730 R CA 0.543 56.674 56.100 0.051 0.000 1.062 730 R CB -0.554 29.794 30.300 0.079 0.000 0.956 730 R HN 0.709 nan 8.270 nan 0.000 0.479 731 G N 0.214 109.031 108.800 0.029 0.000 2.176 731 G HA2 -0.237 3.722 3.960 -0.001 0.000 0.252 731 G HA3 -0.237 3.722 3.960 -0.001 0.000 0.252 731 G C -0.382 174.526 174.900 0.013 0.000 1.024 731 G CA -0.230 44.880 45.100 0.018 0.000 0.755 731 G HN 0.052 nan 8.290 nan 0.000 0.507 732 L N 0.244 121.478 121.223 0.018 0.000 2.334 732 L HA 0.585 4.924 4.340 -0.001 0.000 0.275 732 L C 0.568 177.441 176.870 0.004 0.000 1.036 732 L CA -1.029 53.815 54.840 0.007 0.000 0.807 732 L CB 1.270 43.334 42.059 0.008 0.000 1.231 732 L HN 0.406 nan 8.230 nan 0.000 0.438 733 N N 0.820 119.515 118.700 -0.009 0.000 2.890 733 N HA 0.523 5.262 4.740 -0.001 0.000 0.317 733 N C -0.767 174.726 175.510 -0.028 0.000 1.355 733 N CA -1.078 51.964 53.050 -0.013 0.000 0.803 733 N CB 1.405 39.882 38.487 -0.016 0.000 1.465 733 N HN 0.376 nan 8.380 nan 0.000 0.591 734 R N 0.150 120.629 120.500 -0.035 0.000 2.401 734 R HA 0.246 4.586 4.340 -0.001 0.000 0.299 734 R C 0.427 176.691 176.300 -0.060 0.000 1.064 734 R CA 0.989 57.057 56.100 -0.054 0.000 1.000 734 R CB -0.248 30.019 30.300 -0.055 0.000 0.973 734 R HN 0.914 nan 8.270 nan 0.000 0.438 735 G N 2.285 111.040 108.800 -0.075 0.000 2.238 735 G HA2 -0.248 3.711 3.960 -0.001 0.000 0.217 735 G HA3 -0.248 3.711 3.960 -0.001 0.000 0.217 735 G C -0.139 174.725 174.900 -0.061 0.000 0.996 735 G CA 0.052 45.109 45.100 -0.072 0.000 0.632 735 G HN 0.628 nan 8.290 nan 0.000 0.503 736 S N 0.727 116.395 115.700 -0.053 0.000 2.558 736 S HA 0.330 4.799 4.470 -0.001 0.000 0.288 736 S C 0.317 174.887 174.600 -0.050 0.000 1.318 736 S CA 0.088 58.261 58.200 -0.044 0.000 1.056 736 S CB 1.491 64.670 63.200 -0.036 0.000 0.853 736 S HN 0.437 nan 8.310 nan 0.000 0.505 737 E N 2.254 122.429 120.200 -0.043 0.000 2.052 737 E HA 0.304 4.654 4.350 -0.001 0.000 0.283 737 E C -0.188 176.387 176.600 -0.042 0.000 1.071 737 E CA -0.530 55.843 56.400 -0.044 0.000 0.851 737 E CB 0.346 30.024 29.700 -0.037 0.000 1.066 737 E HN 0.498 nan 8.360 nan 0.000 0.396 738 V N 1.722 121.605 119.914 -0.051 0.000 3.096 738 V HA 0.591 4.711 4.120 -0.001 0.000 0.319 738 V C -0.039 176.029 176.094 -0.044 0.000 1.082 738 V CA -1.010 61.261 62.300 -0.048 0.000 1.022 738 V CB 1.729 33.514 31.823 -0.064 0.000 1.103 738 V HN 0.544 nan 8.190 nan 0.000 0.455 739 R N 1.075 121.555 120.500 -0.032 0.000 2.337 739 R HA 0.644 4.984 4.340 -0.001 0.000 0.319 739 R C -1.384 174.908 176.300 -0.013 0.000 0.954 739 R CA -0.506 55.581 56.100 -0.022 0.000 0.840 739 R CB 1.845 32.138 30.300 -0.011 0.000 1.164 739 R HN 0.725 nan 8.270 nan 0.000 0.472 740 V N 6.607 126.510 119.914 -0.019 0.000 2.408 740 V HA 0.307 4.426 4.120 -0.001 0.000 0.267 740 V C 0.227 176.342 176.094 0.034 0.000 1.047 740 V CA -0.098 62.201 62.300 -0.003 0.000 0.937 740 V CB 0.827 32.633 31.823 -0.028 0.000 0.999 740 V HN 0.606 nan 8.190 nan 0.000 0.472 741 I N 3.999 124.620 120.570 0.086 0.000 2.530 741 I HA 0.626 4.796 4.170 -0.001 0.000 0.297 741 I C 0.182 176.451 176.117 0.254 0.000 1.011 741 I CA -0.065 61.317 61.300 0.137 0.000 1.107 741 I CB 2.163 40.237 38.000 0.124 0.000 1.285 741 I HN 0.521 nan 8.210 nan 0.000 0.436 742 S N 2.745 118.563 115.700 0.197 0.000 2.732 742 S HA 0.455 4.925 4.470 -0.001 0.000 0.293 742 S C 0.678 175.302 174.600 0.041 0.000 1.159 742 S CA -0.813 57.435 58.200 0.079 0.000 0.847 742 S CB 2.059 65.235 63.200 -0.040 0.000 1.169 742 S HN 0.565 nan 8.310 nan 0.000 0.501 743 R N 0.396 120.756 120.500 -0.233 0.000 2.280 743 R HA 0.092 4.432 4.340 -0.001 0.000 0.207 743 R C 1.343 177.622 176.300 -0.035 0.000 1.043 743 R CA 0.863 56.892 56.100 -0.119 0.000 1.006 743 R CB -0.035 30.122 30.300 -0.239 0.000 0.885 743 R HN 0.383 nan 8.270 nan 0.000 0.467 744 R N -0.463 120.012 120.500 -0.041 0.000 2.250 744 R HA 0.202 4.541 4.340 -0.001 0.000 0.194 744 R C 0.761 177.059 176.300 -0.003 0.000 0.927 744 R CA 0.511 56.599 56.100 -0.019 0.000 1.052 744 R CB 1.181 31.459 30.300 -0.036 0.000 1.055 744 R HN 0.172 nan 8.270 nan 0.000 0.537 745 G N 0.017 108.821 108.800 0.007 0.000 2.430 745 G HA2 0.340 4.299 3.960 -0.001 0.000 0.300 745 G HA3 0.340 4.299 3.960 -0.001 0.000 0.300 745 G C -1.814 173.098 174.900 0.019 0.000 1.330 745 G CA -0.757 44.347 45.100 0.007 0.000 0.813 745 G HN 0.017 nan 8.290 nan 0.000 0.487 746 E N -1.064 119.138 120.200 0.003 0.000 2.393 746 E HA 0.725 5.074 4.350 -0.001 0.000 0.273 746 E C -0.880 175.707 176.600 -0.021 0.000 0.918 746 E CA -0.739 55.663 56.400 0.002 0.000 0.773 746 E CB 2.988 32.691 29.700 0.005 0.000 1.275 746 E HN 0.444 nan 8.360 nan 0.000 0.451 747 I N 0.546 121.101 120.570 -0.025 0.000 3.074 747 I HA 0.475 4.644 4.170 -0.001 0.000 0.310 747 I C -0.727 175.365 176.117 -0.042 0.000 1.153 747 I CA -1.059 60.215 61.300 -0.042 0.000 0.993 747 I CB 2.266 40.233 38.000 -0.056 0.000 1.237 747 I HN 0.228 nan 8.210 nan 0.000 0.443 748 R N 2.125 122.595 120.500 -0.050 0.000 2.388 748 R HA 0.519 4.858 4.340 -0.001 0.000 0.314 748 R C -0.936 175.326 176.300 -0.063 0.000 0.959 748 R CA -0.482 55.588 56.100 -0.050 0.000 0.851 748 R CB 2.033 32.307 30.300 -0.042 0.000 1.168 748 R HN 0.778 nan 8.270 nan 0.000 0.472 749 T N -0.340 114.171 114.554 -0.072 0.000 2.907 749 T HA 0.560 4.909 4.350 -0.001 0.000 0.290 749 T C 0.077 174.726 174.700 -0.085 0.000 1.066 749 T CA -1.101 60.947 62.100 -0.086 0.000 1.012 749 T CB 2.114 70.920 68.868 -0.102 0.000 1.184 749 T HN 0.358 nan 8.240 nan 0.000 0.522 750 R N 0.170 120.613 120.500 -0.095 0.000 2.598 750 R HA 0.571 4.911 4.340 -0.001 0.000 0.279 750 R C -0.673 175.550 176.300 -0.129 0.000 0.984 750 R CA -1.020 55.021 56.100 -0.098 0.000 0.999 750 R CB 1.017 31.262 30.300 -0.091 0.000 1.114 750 R HN 0.363 nan 8.270 nan 0.000 0.493 751 L N 1.508 122.660 121.223 -0.118 0.000 2.452 751 L HA 0.142 4.482 4.340 -0.001 0.000 0.267 751 L C 0.156 176.924 176.870 -0.169 0.000 1.188 751 L CA 0.834 55.593 54.840 -0.134 0.000 0.821 751 L CB 0.286 42.288 42.059 -0.094 0.000 1.102 751 L HN 0.616 nan 8.230 nan 0.000 0.470 752 E N 1.024 121.098 120.200 -0.211 0.000 2.334 752 E HA 0.227 4.576 4.350 -0.001 0.000 0.280 752 E C -1.376 175.137 176.600 -0.145 0.000 0.899 752 E CA -0.241 56.020 56.400 -0.232 0.000 0.813 752 E CB 1.470 30.924 29.700 -0.411 0.000 1.318 752 E HN 0.670 nan 8.360 nan 0.000 0.399 753 T N 1.674 116.186 114.554 -0.070 0.000 2.918 753 T HA 0.476 4.826 4.350 -0.001 0.000 0.286 753 T C 0.377 175.071 174.700 -0.009 0.000 1.026 753 T CA -0.174 61.917 62.100 -0.014 0.000 1.031 753 T CB 1.102 69.958 68.868 -0.021 0.000 1.046 753 T HN 0.715 nan 8.240 nan 0.000 0.479 754 R N 0.553 121.063 120.500 0.017 0.000 3.854 754 R HA -0.118 4.221 4.340 -0.001 0.000 0.352 754 R C 0.729 177.061 176.300 0.053 0.000 1.156 754 R CA 0.582 56.692 56.100 0.016 0.000 0.917 754 R CB -2.110 28.184 30.300 -0.011 0.000 1.471 754 R HN 0.968 nan 8.270 nan 0.000 0.521 755 G N 0.306 109.189 108.800 0.140 0.000 2.543 755 G HA2 0.273 4.233 3.960 -0.001 0.000 0.267 755 G HA3 0.273 4.233 3.960 -0.001 0.000 0.267 755 G C 0.963 176.005 174.900 0.236 0.000 1.406 755 G CA -0.007 45.239 45.100 0.243 0.000 1.048 755 G HN 0.286 nan 8.290 nan 0.000 0.548 756 R N -0.763 119.903 120.500 0.276 0.000 2.075 756 R HA 0.008 4.347 4.340 -0.001 0.000 0.232 756 R C -0.154 176.137 176.300 -0.016 0.000 1.126 756 R CA 0.775 56.935 56.100 0.100 0.000 0.963 756 R CB -0.549 29.802 30.300 0.086 0.000 0.858 756 R HN 0.258 nan 8.270 nan 0.000 0.435 757 N N 2.170 120.720 118.700 -0.249 0.000 2.411 757 N HA 0.097 4.836 4.740 -0.001 0.000 0.259 757 N C -0.884 174.561 175.510 -0.110 0.000 1.103 757 N CA -0.041 52.798 53.050 -0.352 0.000 0.954 757 N CB 1.238 39.040 38.487 -1.141 0.000 1.085 757 N HN 0.177 nan 8.380 nan 0.000 0.485 758 R N 2.263 122.764 120.500 0.001 0.000 2.287 758 R HA 0.284 4.623 4.340 -0.001 0.000 0.327 758 R C 0.182 176.520 176.300 0.063 0.000 1.109 758 R CA -0.559 55.559 56.100 0.030 0.000 1.013 758 R CB 0.369 30.683 30.300 0.022 0.000 1.126 758 R HN 0.313 nan 8.270 nan 0.000 0.503 759 M N 3.472 123.114 119.600 0.071 0.000 2.248 759 M HA 0.224 4.703 4.480 -0.001 0.000 0.337 759 M C -2.009 174.446 176.300 0.259 0.000 1.121 759 M CA -2.875 52.508 55.300 0.138 0.000 1.155 759 M CB -0.237 32.446 32.600 0.138 0.000 1.514 759 M HN 0.242 nan 8.290 nan 0.000 0.452 760 P HA 0.371 nan 4.420 nan 0.000 0.281 760 P C -0.711 176.726 177.300 0.228 0.000 1.264 760 P CA -0.725 62.515 63.100 0.234 0.000 0.824 760 P CB 0.601 32.385 31.700 0.139 0.000 1.092 761 R N 0.989 121.524 120.500 0.059 0.000 2.502 761 R HA 0.314 4.654 4.340 -0.001 0.000 0.292 761 R C 1.136 177.516 176.300 0.133 0.000 0.998 761 R CA 1.066 57.149 56.100 -0.029 0.000 1.056 761 R CB -0.904 29.265 30.300 -0.219 0.000 0.939 761 R HN 0.943 nan 8.270 nan 0.000 0.411 762 G N 1.266 110.216 108.800 0.251 0.000 2.175 762 G HA2 -0.249 3.710 3.960 -0.001 0.000 0.244 762 G HA3 -0.249 3.710 3.960 -0.001 0.000 0.244 762 G C -0.087 175.156 174.900 0.571 0.000 0.982 762 G CA -0.115 45.135 45.100 0.250 0.000 0.641 762 G HN 0.450 nan 8.290 nan 0.000 0.527 763 V N 0.439 120.674 119.914 0.535 0.000 2.604 763 V HA 0.790 4.909 4.120 -0.001 0.000 0.305 763 V C -0.017 176.267 176.094 0.316 0.000 1.043 763 V CA -0.852 61.734 62.300 0.476 0.000 0.888 763 V CB 2.058 34.080 31.823 0.331 0.000 0.995 763 V HN 0.270 nan 8.190 nan 0.000 0.429 764 V N 4.540 124.602 119.914 0.247 0.000 2.735 764 V HA 0.576 4.696 4.120 -0.001 0.000 0.310 764 V C -1.205 174.979 176.094 0.149 0.000 1.061 764 V CA -0.636 61.722 62.300 0.097 0.000 0.913 764 V CB 2.097 33.861 31.823 -0.099 0.000 1.005 764 V HN 0.745 nan 8.190 nan 0.000 0.428 765 F N 5.833 125.755 119.950 -0.046 0.000 2.518 765 F HA 0.785 5.311 4.527 -0.001 0.000 0.323 765 F C -0.557 175.320 175.800 0.129 0.000 1.129 765 F CA -0.634 57.327 58.000 -0.066 0.000 0.920 765 F CB 1.816 40.519 39.000 -0.496 0.000 1.160 765 F HN 0.340 nan 8.300 nan 0.000 0.440 766 V N 4.899 124.490 119.914 -0.538 0.000 2.577 766 V HA 0.698 4.818 4.120 -0.001 0.000 0.303 766 V C -2.853 172.911 176.094 -0.549 0.000 1.042 766 V CA -2.217 59.877 62.300 -0.343 0.000 0.872 766 V CB 1.380 33.099 31.823 -0.173 0.000 0.998 766 V HN 0.628 nan 8.190 nan 0.000 0.423 767 P HA 0.182 nan 4.420 nan 0.000 0.277 767 P C 0.070 177.268 177.300 -0.170 0.000 1.240 767 P CA -0.201 62.824 63.100 -0.126 0.000 0.798 767 P CB 0.961 32.770 31.700 0.182 0.000 0.979 768 W N 3.160 124.311 121.300 -0.248 0.000 3.316 768 W HA 0.099 4.758 4.660 -0.001 0.000 0.327 768 W C 0.894 177.268 176.519 -0.242 0.000 1.232 768 W CA -0.449 56.732 57.345 -0.273 0.000 1.805 768 W CB -1.755 27.568 29.460 -0.229 0.000 1.090 768 W HN 0.241 nan 8.180 nan 0.000 0.654 769 F N 1.312 120.948 119.950 -0.524 0.000 2.408 769 F HA 0.066 4.592 4.527 -0.001 0.000 0.300 769 F C 0.473 176.076 175.800 -0.329 0.000 1.090 769 F CA 0.545 58.208 58.000 -0.561 0.000 1.427 769 F CB -0.727 37.928 39.000 -0.575 0.000 1.070 769 F HN -0.281 nan 8.300 nan 0.000 0.549 770 D N 1.400 121.421 120.400 -0.630 0.000 2.347 770 D HA 0.309 4.949 4.640 -0.001 0.000 0.235 770 D C 1.156 177.354 176.300 -0.169 0.000 1.149 770 D CA 0.259 54.051 54.000 -0.346 0.000 0.850 770 D CB 1.671 42.161 40.800 -0.517 0.000 1.061 770 D HN 0.215 nan 8.370 nan 0.000 0.487 771 A N 3.042 125.813 122.820 -0.081 0.000 2.121 771 A HA -0.140 4.180 4.320 -0.001 0.000 0.218 771 A C 2.103 179.652 177.584 -0.059 0.000 1.154 771 A CA 1.522 53.530 52.037 -0.048 0.000 0.679 771 A CB -0.264 18.723 19.000 -0.022 0.000 0.795 771 A HN 0.575 nan 8.150 nan 0.000 0.458 772 S N -0.536 115.124 115.700 -0.068 0.000 2.406 772 S HA -0.092 4.378 4.470 -0.001 0.000 0.228 772 S C 0.999 175.553 174.600 -0.078 0.000 1.020 772 S CA 0.783 58.946 58.200 -0.062 0.000 0.965 772 S CB -0.243 62.928 63.200 -0.048 0.000 0.798 772 S HN 0.634 nan 8.310 nan 0.000 0.488 773 Q N 1.512 121.248 119.800 -0.108 0.000 2.788 773 Q HA 0.401 4.740 4.340 -0.001 0.000 0.278 773 Q C -1.165 174.774 176.000 -0.101 0.000 1.126 773 Q CA -0.201 55.534 55.803 -0.114 0.000 1.017 773 Q CB 0.848 29.494 28.738 -0.154 0.000 1.219 773 Q HN 0.495 nan 8.270 nan 0.000 0.503 774 L N 2.836 124.014 121.223 -0.075 0.000 2.505 774 L HA 0.065 4.405 4.340 -0.001 0.000 0.279 774 L C 1.145 177.984 176.870 -0.051 0.000 1.211 774 L CA 0.049 54.857 54.840 -0.053 0.000 1.059 774 L CB -0.325 41.697 42.059 -0.062 0.000 1.340 774 L HN 0.597 nan 8.230 nan 0.000 0.447 775 I N 0.913 121.457 120.570 -0.044 0.000 2.493 775 I HA -0.206 3.963 4.170 -0.001 0.000 0.254 775 I C 1.856 177.949 176.117 -0.040 0.000 1.160 775 I CA 0.711 61.983 61.300 -0.047 0.000 1.445 775 I CB -0.300 37.667 38.000 -0.054 0.000 1.086 775 I HN 0.627 nan 8.210 nan 0.000 0.433 776 N N 1.341 120.014 118.700 -0.044 0.000 2.609 776 N HA -0.102 4.637 4.740 -0.001 0.000 0.190 776 N C 1.464 176.950 175.510 -0.039 0.000 1.157 776 N CA 0.753 53.776 53.050 -0.045 0.000 0.918 776 N CB 0.021 38.463 38.487 -0.076 0.000 0.978 776 N HN 0.499 nan 8.380 nan 0.000 0.448 777 K N -0.176 120.198 120.400 -0.044 0.000 2.186 777 K HA 0.062 4.381 4.320 -0.001 0.000 0.202 777 K C 1.712 178.292 176.600 -0.033 0.000 1.052 777 K CA 0.574 56.834 56.287 -0.044 0.000 0.965 777 K CB 0.295 32.763 32.500 -0.053 0.000 0.746 777 K HN -0.017 nan 8.250 nan 0.000 0.457 778 V N 1.800 121.697 119.914 -0.028 0.000 2.719 778 V HA -0.095 4.025 4.120 -0.001 0.000 0.252 778 V C 0.943 177.021 176.094 -0.026 0.000 1.065 778 V CA 1.045 63.333 62.300 -0.019 0.000 1.086 778 V CB -0.661 31.156 31.823 -0.009 0.000 0.700 778 V HN 0.303 nan 8.190 nan 0.000 0.467 779 T N 2.163 116.703 114.554 -0.024 0.000 2.926 779 T HA 0.393 4.742 4.350 -0.001 0.000 0.307 779 T C -0.443 174.216 174.700 -0.070 0.000 1.059 779 T CA -0.245 61.838 62.100 -0.028 0.000 1.122 779 T CB 1.433 70.308 68.868 0.012 0.000 0.972 779 T HN 0.099 nan 8.240 nan 0.000 0.545 780 L N 2.260 123.427 121.223 -0.094 0.000 2.292 780 L HA 0.303 4.643 4.340 -0.001 0.000 0.284 780 L C 1.161 177.927 176.870 -0.173 0.000 1.065 780 L CA -0.198 54.569 54.840 -0.122 0.000 0.806 780 L CB 0.744 42.732 42.059 -0.119 0.000 1.175 780 L HN 0.615 nan 8.230 nan 0.000 0.431 781 D N 3.370 123.681 120.400 -0.148 0.000 2.411 781 D HA -0.079 4.561 4.640 -0.001 0.000 0.226 781 D C 0.322 176.532 176.300 -0.149 0.000 0.988 781 D CA 0.645 54.559 54.000 -0.144 0.000 0.938 781 D CB 0.123 40.871 40.800 -0.086 0.000 0.883 781 D HN 0.685 nan 8.370 nan 0.000 0.525 782 A N 0.170 122.893 122.820 -0.161 0.000 2.462 782 A HA 0.353 4.673 4.320 -0.001 0.000 0.243 782 A C 0.179 177.702 177.584 -0.102 0.000 1.076 782 A CA -0.117 51.856 52.037 -0.107 0.000 0.773 782 A CB 0.292 19.249 19.000 -0.071 0.000 1.010 782 A HN 0.336 nan 8.150 nan 0.000 0.493 783 N N 0.250 118.918 118.700 -0.053 0.000 2.577 783 N HA 0.362 5.101 4.740 -0.001 0.000 0.285 783 N C -1.506 173.966 175.510 -0.064 0.000 1.309 783 N CA -0.922 52.094 53.050 -0.057 0.000 0.798 783 N CB 1.243 39.699 38.487 -0.053 0.000 1.463 783 N HN 0.715 nan 8.380 nan 0.000 0.518 784 D N 1.528 121.886 120.400 -0.070 0.000 2.352 784 D HA 0.086 4.726 4.640 -0.001 0.000 0.245 784 D C -1.554 174.660 176.300 -0.142 0.000 1.224 784 D CA -1.934 51.986 54.000 -0.134 0.000 0.879 784 D CB 0.902 41.636 40.800 -0.110 0.000 1.057 784 D HN 0.312 nan 8.370 nan 0.000 0.491 785 P HA -0.173 nan 4.420 nan 0.000 0.221 785 P C 1.518 178.755 177.300 -0.105 0.000 1.141 785 P CA 0.980 63.998 63.100 -0.136 0.000 0.794 785 P CB 0.378 31.983 31.700 -0.158 0.000 0.764 786 I N -0.132 120.377 120.570 -0.101 0.000 2.385 786 I HA -0.110 4.060 4.170 -0.001 0.000 0.244 786 I C 2.640 178.721 176.117 -0.060 0.000 1.089 786 I CA 1.630 62.899 61.300 -0.051 0.000 1.410 786 I CB -0.749 37.251 38.000 0.000 0.000 1.117 786 I HN 0.033 nan 8.210 nan 0.000 0.429 787 S N 0.005 115.674 115.700 -0.051 0.000 2.458 787 S HA 0.004 4.473 4.470 -0.001 0.000 0.223 787 S C 1.149 175.721 174.600 -0.047 0.000 1.019 787 S CA -0.058 58.127 58.200 -0.026 0.000 0.937 787 S CB 0.166 63.380 63.200 0.023 0.000 0.788 787 S HN 0.318 nan 8.310 nan 0.000 0.511 788 R N 0.670 121.110 120.500 -0.099 0.000 3.774 788 R HA -0.123 4.216 4.340 -0.001 0.000 0.320 788 R C -0.273 176.007 176.300 -0.034 0.000 1.175 788 R CA 0.966 56.957 56.100 -0.182 0.000 0.849 788 R CB -2.670 27.320 30.300 -0.516 0.000 1.365 788 R HN 0.871 nan 8.270 nan 0.000 0.502 789 Q N 1.182 121.006 119.800 0.040 0.000 2.337 789 Q HA 0.231 4.571 4.340 -0.001 0.000 0.255 789 Q C 0.190 176.230 176.000 0.067 0.000 0.997 789 Q CA 0.116 55.999 55.803 0.133 0.000 0.925 789 Q CB 1.004 29.843 28.738 0.169 0.000 1.212 789 Q HN 0.201 nan 8.270 nan 0.000 0.436 790 T N 2.041 116.618 114.554 0.038 0.000 2.906 790 T HA -0.069 4.281 4.350 -0.001 0.000 0.320 790 T C -0.251 174.234 174.700 -0.358 0.000 1.088 790 T CA -0.208 61.748 62.100 -0.241 0.000 1.120 790 T CB 0.637 69.213 68.868 -0.486 0.000 1.000 790 T HN 0.712 nan 8.240 nan 0.000 0.550 791 D N 2.766 122.931 120.400 -0.392 0.000 2.427 791 D HA 0.228 4.867 4.640 -0.001 0.000 0.226 791 D C -0.149 175.980 176.300 -0.285 0.000 1.076 791 D CA -0.694 53.185 54.000 -0.202 0.000 0.849 791 D CB 0.206 40.966 40.800 -0.068 0.000 1.052 791 D HN 0.573 nan 8.370 nan 0.000 0.515 792 F N 2.052 121.985 119.950 -0.029 0.000 2.727 792 F HA 0.192 4.719 4.527 -0.001 0.000 0.302 792 F C 2.020 177.817 175.800 -0.004 0.000 1.097 792 F CA -0.314 57.647 58.000 -0.065 0.000 1.330 792 F CB 0.471 39.374 39.000 -0.162 0.000 1.084 792 F HN 0.134 nan 8.300 nan 0.000 0.578 793 K N 1.518 122.033 120.400 0.192 0.000 2.426 793 K HA 0.095 4.415 4.320 -0.001 0.000 0.193 793 K C 0.182 176.862 176.600 0.132 0.000 1.028 793 K CA 0.383 56.772 56.287 0.170 0.000 1.047 793 K CB -0.093 32.502 32.500 0.158 0.000 0.821 793 K HN 0.336 nan 8.250 nan 0.000 0.513 794 K N -0.231 120.251 120.400 0.136 0.000 2.569 794 K HA 0.388 4.708 4.320 -0.001 0.000 0.259 794 K C -0.771 176.010 176.600 0.300 0.000 0.932 794 K CA -0.824 55.617 56.287 0.257 0.000 0.833 794 K CB 1.243 33.819 32.500 0.127 0.000 1.340 794 K HN 0.067 nan 8.250 nan 0.000 0.429 795 C N -1.296 118.234 119.300 0.383 0.000 3.231 795 C HA 0.830 5.290 4.460 -0.001 0.000 0.343 795 C C -0.851 174.200 174.990 0.102 0.000 1.349 795 C CA -0.700 58.415 59.018 0.163 0.000 1.209 795 C CB 0.869 28.639 27.740 0.050 0.000 1.475 795 C HN 1.120 nan 8.230 nan 0.000 0.460 796 A N 0.834 123.614 122.820 -0.066 0.000 2.301 796 A HA 0.810 5.130 4.320 -0.001 0.000 0.298 796 A C -0.503 177.106 177.584 0.042 0.000 1.185 796 A CA -0.362 51.628 52.037 -0.080 0.000 0.830 796 A CB 0.500 19.408 19.000 -0.155 0.000 1.112 796 A HN 1.716 nan 8.150 nan 0.000 0.508 797 V N 2.343 122.382 119.914 0.209 0.000 2.971 797 V HA 0.454 4.574 4.120 -0.001 0.000 0.309 797 V C -0.186 176.143 176.094 0.391 0.000 1.130 797 V CA -0.809 61.676 62.300 0.309 0.000 0.964 797 V CB 2.252 34.193 31.823 0.197 0.000 1.029 797 V HN 0.977 nan 8.190 nan 0.000 0.427 798 K N 2.808 123.422 120.400 0.358 0.000 2.203 798 K HA 0.779 5.098 4.320 -0.001 0.000 0.251 798 K C -1.555 175.139 176.600 0.157 0.000 0.944 798 K CA -0.708 55.704 56.287 0.208 0.000 0.829 798 K CB 1.761 34.219 32.500 -0.071 0.000 1.125 798 K HN 0.589 nan 8.250 nan 0.000 0.430 799 I N 2.736 123.408 120.570 0.169 0.000 2.447 799 I HA 0.309 4.478 4.170 -0.001 0.000 0.287 799 I C -0.389 175.758 176.117 0.050 0.000 1.023 799 I CA -0.600 60.737 61.300 0.063 0.000 1.083 799 I CB 1.836 39.808 38.000 -0.047 0.000 1.245 799 I HN 0.471 nan 8.210 nan 0.000 0.434 800 E N 4.317 124.525 120.200 0.013 0.000 2.369 800 E HA 0.911 5.260 4.350 -0.001 0.000 0.270 800 E C -1.172 175.424 176.600 -0.007 0.000 0.909 800 E CA -0.796 55.606 56.400 0.005 0.000 0.775 800 E CB 3.155 32.852 29.700 -0.006 0.000 1.270 800 E HN 0.726 nan 8.360 nan 0.000 0.445 801 A N 0.000 122.815 122.820 -0.008 0.000 2.254 801 A HA 0.000 4.319 4.320 -0.001 0.000 0.244 801 A CA 0.000 nan 52.037 nan 0.000 0.836 801 A CB 0.000 19.000 19.000 -0.001 0.000 0.831 801 A HN 0.000 nan 8.150 nan 0.000 0.486