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_E 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 0.000 175.931 176.117 -0.311 0.000 1.063 12 I CA 0.000 61.165 61.300 -0.224 0.000 1.566 12 I CB 0.000 37.918 38.000 -0.136 0.000 1.214 13 R N 1.368 121.609 120.500 -0.431 0.000 2.310 13 R HA 0.357 4.697 4.340 -0.000 0.000 0.324 13 R C -1.810 174.229 176.300 -0.436 0.000 0.955 13 R CA -0.416 55.495 56.100 -0.314 0.000 0.830 13 R CB 1.042 31.233 30.300 -0.182 0.000 1.154 13 R HN 0.026 nan 8.270 nan 0.000 0.458 14 W N 1.853 123.138 121.300 -0.024 0.000 2.335 14 W HA 0.362 5.022 4.660 -0.000 0.000 0.307 14 W C 0.098 176.626 176.519 0.016 0.000 1.117 14 W CA -0.294 57.039 57.345 -0.019 0.000 1.228 14 W CB 1.616 31.062 29.460 -0.023 0.000 1.240 14 W HN 0.310 nan 8.180 nan 0.000 0.468 15 S N 2.392 118.216 115.700 0.206 0.000 2.536 15 S HA 0.361 4.831 4.470 -0.000 0.000 0.298 15 S C -0.440 174.247 174.600 0.144 0.000 1.083 15 S CA -1.058 57.246 58.200 0.173 0.000 0.995 15 S CB 1.460 64.747 63.200 0.145 0.000 1.058 15 S HN 0.423 nan 8.310 nan 0.000 0.488 16 K N 1.607 122.088 120.400 0.136 0.000 2.350 16 K HA 0.583 4.903 4.320 -0.000 0.000 0.279 16 K C -0.683 175.956 176.600 0.065 0.000 1.027 16 K CA -0.126 56.222 56.287 0.102 0.000 0.969 16 K CB 0.332 32.900 32.500 0.113 0.000 0.954 16 K HN 0.691 nan 8.250 nan 0.000 0.474 17 A N 4.818 127.649 122.820 0.020 0.000 2.583 17 A HA 0.398 4.718 4.320 -0.000 0.000 0.298 17 A C -2.957 174.582 177.584 -0.075 0.000 1.055 17 A CA -1.252 50.749 52.037 -0.059 0.000 0.714 17 A CB 1.499 20.323 19.000 -0.294 0.000 1.277 17 A HN 0.609 nan 8.150 nan 0.000 0.406 18 P HA 0.358 nan 4.420 nan 0.000 0.284 18 P C 0.311 177.569 177.300 -0.069 0.000 1.253 18 P CA -0.270 62.703 63.100 -0.212 0.000 0.800 18 P CB 1.187 32.620 31.700 -0.445 0.000 0.961 19 C N 4.520 123.758 119.300 -0.105 0.000 2.465 19 C HA 0.015 4.475 4.460 -0.000 0.000 0.402 19 C C 2.198 176.966 174.990 -0.371 0.000 1.448 19 C CA 0.055 58.934 59.018 -0.232 0.000 1.589 19 C CB -1.203 26.421 27.740 -0.193 0.000 2.535 19 C HN 0.663 nan 8.230 nan 0.000 0.600 20 R N 3.447 123.425 120.500 -0.869 0.000 2.323 20 R HA 0.207 4.547 4.340 -0.000 0.000 0.198 20 R C 0.185 175.832 176.300 -1.089 0.000 0.988 20 R CA 1.136 56.634 56.100 -1.004 0.000 1.041 20 R CB -0.432 28.820 30.300 -1.746 0.000 0.926 20 R HN 0.830 nan 8.270 nan 0.000 0.476 21 F N -2.143 117.317 119.950 -0.817 0.000 2.929 21 F HA 0.226 4.753 4.527 -0.000 0.000 0.150 21 F C 1.004 176.319 175.800 -0.809 0.000 1.482 21 F CA -0.849 56.347 58.000 -1.341 0.000 0.962 21 F CB -0.837 37.523 39.000 -1.067 0.000 2.000 21 F HN -0.233 nan 8.300 nan 0.000 0.408 22 C N 2.006 121.236 119.300 -0.116 0.000 2.489 22 C HA -0.055 4.405 4.460 -0.000 0.000 0.384 22 C C 1.990 177.032 174.990 0.087 0.000 1.376 22 C CA 0.648 59.726 59.018 0.099 0.000 1.585 22 C CB -0.526 27.193 27.740 -0.035 0.000 2.572 22 C HN 0.858 nan 8.230 nan 0.000 0.578 23 G N 3.189 112.078 108.800 0.148 0.000 2.920 23 G HA2 0.019 3.979 3.960 -0.000 0.000 0.208 23 G HA3 0.019 3.979 3.960 -0.000 0.000 0.208 23 G C 1.245 176.344 174.900 0.333 0.000 1.159 23 G CA 0.975 46.224 45.100 0.248 0.000 0.784 23 G HN 0.870 nan 8.290 nan 0.000 0.535 24 T N 0.651 115.371 114.554 0.276 0.000 2.643 24 T HA 0.173 4.523 4.350 -0.000 0.000 0.264 24 T C 1.835 176.750 174.700 0.358 0.000 1.045 24 T CA 1.855 64.144 62.100 0.316 0.000 1.155 24 T CB -0.394 68.542 68.868 0.114 0.000 0.863 24 T HN 1.107 nan 8.240 nan 0.000 0.420 25 G N 0.493 109.433 108.800 0.234 0.000 2.270 25 G HA2 -0.202 3.758 3.960 -0.000 0.000 0.224 25 G HA3 -0.202 3.758 3.960 -0.000 0.000 0.224 25 G C 0.159 175.173 174.900 0.190 0.000 1.079 25 G CA -0.369 44.904 45.100 0.288 0.000 0.807 25 G HN 0.660 nan 8.290 nan 0.000 0.492 26 C N 0.121 119.456 119.300 0.058 0.000 2.689 26 C HA 0.628 5.087 4.460 -0.000 0.000 0.409 26 C C 1.602 176.563 174.990 -0.049 0.000 1.293 26 C CA 0.428 59.446 59.018 -0.000 0.000 2.136 26 C CB 0.615 28.317 27.740 -0.063 0.000 2.719 26 C HN 1.059 nan 8.230 nan 0.000 0.644 27 G N 1.101 109.879 108.800 -0.038 0.000 2.356 27 G HA2 0.539 4.499 3.960 -0.000 0.000 0.298 27 G HA3 0.539 4.499 3.960 -0.000 0.000 0.298 27 G C -0.782 174.104 174.900 -0.023 0.000 1.145 27 G CA -0.086 44.985 45.100 -0.048 0.000 0.850 27 G HN 0.650 nan 8.290 nan 0.000 0.487 28 V N 3.517 123.433 119.914 0.003 0.000 2.864 28 V HA 0.545 4.665 4.120 -0.000 0.000 0.314 28 V C -0.127 176.026 176.094 0.098 0.000 1.073 28 V CA -0.883 61.451 62.300 0.058 0.000 0.956 28 V CB 2.188 34.071 31.823 0.101 0.000 1.023 28 V HN 0.668 nan 8.190 nan 0.000 0.435 29 M N 3.336 123.031 119.600 0.159 0.000 2.046 29 M HA 0.395 4.875 4.480 -0.000 0.000 0.309 29 M C -0.991 175.516 176.300 0.345 0.000 0.935 29 M CA -0.454 54.979 55.300 0.222 0.000 0.915 29 M CB 1.499 34.205 32.600 0.176 0.000 1.474 29 M HN 0.346 nan 8.290 nan 0.000 0.415 30 V N 2.808 122.851 119.914 0.215 0.000 2.488 30 V HA 0.391 4.511 4.120 -0.000 0.000 0.277 30 V C 0.971 177.050 176.094 -0.025 0.000 1.046 30 V CA -0.479 61.885 62.300 0.106 0.000 0.986 30 V CB 0.929 32.705 31.823 -0.079 0.000 0.989 30 V HN 0.947 nan 8.190 nan 0.000 0.475 31 G N 2.958 111.602 108.800 -0.260 0.000 2.320 31 G HA2 0.513 4.473 3.960 -0.000 0.000 0.300 31 G HA3 0.513 4.473 3.960 -0.000 0.000 0.300 31 G C -0.299 174.296 174.900 -0.510 0.000 1.126 31 G CA -0.164 44.376 45.100 -0.934 0.000 0.896 31 G HN 0.610 nan 8.290 nan 0.000 0.436 32 T N 1.922 116.183 114.554 -0.488 0.000 2.841 32 T HA 0.649 4.998 4.350 -0.000 0.000 0.283 32 T C -0.306 174.240 174.700 -0.256 0.000 1.000 32 T CA -0.540 61.395 62.100 -0.276 0.000 0.977 32 T CB 1.337 70.093 68.868 -0.187 0.000 0.979 32 T HN 0.573 nan 8.240 nan 0.000 0.446 33 R N 2.658 123.052 120.500 -0.178 0.000 2.522 33 R HA 0.296 4.636 4.340 -0.000 0.000 0.283 33 R C -1.230 175.007 176.300 -0.105 0.000 1.074 33 R CA -0.364 55.649 56.100 -0.146 0.000 0.925 33 R CB 0.931 31.144 30.300 -0.146 0.000 1.205 33 R HN 0.789 nan 8.270 nan 0.000 0.436 34 D N 2.834 123.180 120.400 -0.090 0.000 2.689 34 D HA -0.176 4.463 4.640 -0.000 0.000 0.237 34 D C 0.721 176.984 176.300 -0.062 0.000 1.148 34 D CA 2.131 56.088 54.000 -0.072 0.000 0.656 34 D CB -0.587 40.173 40.800 -0.067 0.000 1.050 34 D HN 1.030 nan 8.370 nan 0.000 0.426 35 G N -0.559 108.205 108.800 -0.060 0.000 2.179 35 G HA2 -0.341 3.619 3.960 -0.000 0.000 0.257 35 G HA3 -0.341 3.619 3.960 -0.000 0.000 0.257 35 G C 0.071 174.967 174.900 -0.008 0.000 1.010 35 G CA 0.635 45.713 45.100 -0.037 0.000 0.736 35 G HN 0.485 nan 8.290 nan 0.000 0.513 36 Q N -0.988 118.796 119.800 -0.026 0.000 2.394 36 Q HA 0.556 4.896 4.340 -0.000 0.000 0.273 36 Q C -0.378 175.628 176.000 0.010 0.000 1.089 36 Q CA -0.835 54.968 55.803 0.001 0.000 0.812 36 Q CB 2.810 31.485 28.738 -0.105 0.000 1.353 36 Q HN 0.153 nan 8.270 nan 0.000 0.438 37 V N 2.537 122.537 119.914 0.144 0.000 2.408 37 V HA 0.096 4.216 4.120 -0.000 0.000 0.267 37 V C 0.977 177.110 176.094 0.064 0.000 1.047 37 V CA 0.013 62.382 62.300 0.115 0.000 0.937 37 V CB 0.976 32.959 31.823 0.266 0.000 0.999 37 V HN 0.715 nan 8.190 nan 0.000 0.472 38 V N 1.942 121.827 119.914 -0.048 0.000 3.477 38 V HA 0.833 4.953 4.120 -0.000 0.000 0.297 38 V C 0.417 176.502 176.094 -0.015 0.000 1.433 38 V CA 0.479 62.749 62.300 -0.048 0.000 1.052 38 V CB 0.113 31.875 31.823 -0.102 0.000 0.895 38 V HN 0.890 nan 8.190 nan 0.000 0.438 39 A N -0.732 122.075 122.820 -0.022 0.000 2.605 39 A HA 0.758 5.078 4.320 -0.000 0.000 0.294 39 A C -0.558 177.116 177.584 0.149 0.000 1.062 39 A CA -0.149 51.928 52.037 0.067 0.000 0.682 39 A CB 1.557 20.565 19.000 0.013 0.000 1.278 39 A HN 0.132 nan 8.150 nan 0.000 0.410 40 T N 2.173 116.907 114.554 0.301 0.000 3.008 40 T HA 0.494 4.844 4.350 -0.000 0.000 0.328 40 T C -0.725 174.285 174.700 0.517 0.000 1.020 40 T CA -0.111 62.196 62.100 0.345 0.000 1.043 40 T CB 0.026 69.055 68.868 0.268 0.000 1.010 40 T HN 0.661 nan 8.240 nan 0.000 0.466 41 H N 0.471 119.712 119.070 0.284 0.000 2.693 41 H HA 0.670 5.226 4.556 -0.000 0.000 0.348 41 H C 0.713 176.102 175.328 0.100 0.000 1.222 41 H CA -1.420 54.734 56.048 0.178 0.000 1.270 41 H CB 1.448 31.209 29.762 -0.001 0.000 1.798 41 H HN 0.682 nan 8.280 nan 0.000 0.592 42 G N 0.260 109.182 108.800 0.202 0.000 2.372 42 G HA2 0.006 3.966 3.960 -0.000 0.000 0.283 42 G HA3 0.006 3.966 3.960 -0.000 0.000 0.283 42 G C -0.485 174.438 174.900 0.037 0.000 1.177 42 G CA -0.353 44.783 45.100 0.059 0.000 0.842 42 G HN 0.560 nan 8.290 nan 0.000 0.503 43 D N 1.903 122.314 120.400 0.018 0.000 2.383 43 D HA 0.068 4.707 4.640 -0.000 0.000 0.245 43 D C 1.979 178.278 176.300 -0.001 0.000 1.263 43 D CA -0.081 53.925 54.000 0.011 0.000 0.936 43 D CB 0.610 41.421 40.800 0.018 0.000 1.053 43 D HN 0.345 nan 8.370 nan 0.000 0.507 44 T N 0.846 115.393 114.554 -0.012 0.000 3.077 44 T HA -0.137 4.213 4.350 -0.000 0.000 0.269 44 T C 1.191 175.889 174.700 -0.003 0.000 1.146 44 T CA 0.744 62.836 62.100 -0.013 0.000 1.091 44 T CB 0.119 68.972 68.868 -0.025 0.000 0.892 44 T HN 0.234 nan 8.240 nan 0.000 0.533 45 Q N 0.477 120.279 119.800 0.003 0.000 2.319 45 Q HA 0.478 4.818 4.340 -0.000 0.000 0.202 45 Q C 0.685 176.696 176.000 0.019 0.000 0.896 45 Q CA 0.051 55.861 55.803 0.012 0.000 0.942 45 Q CB 0.577 29.324 28.738 0.016 0.000 1.083 45 Q HN 0.729 nan 8.270 nan 0.000 0.510 46 A N 0.881 123.712 122.820 0.019 0.000 2.328 46 A HA 0.194 4.514 4.320 -0.000 0.000 0.284 46 A C 1.064 178.666 177.584 0.030 0.000 1.160 46 A CA -0.309 51.745 52.037 0.027 0.000 0.818 46 A CB 0.719 19.734 19.000 0.025 0.000 1.087 46 A HN -0.038 nan 8.150 nan 0.000 0.504 47 E N 1.702 121.923 120.200 0.034 0.000 2.106 47 E HA -0.122 4.228 4.350 -0.000 0.000 0.192 47 E C 2.021 178.666 176.600 0.076 0.000 0.984 47 E CA 1.219 57.645 56.400 0.043 0.000 0.806 47 E CB -0.104 29.610 29.700 0.023 0.000 0.750 47 E HN 0.587 nan 8.360 nan 0.000 0.458 48 V N 3.143 123.119 119.914 0.103 0.000 2.215 48 V HA -0.332 3.788 4.120 -0.000 0.000 0.246 48 V C 2.167 178.296 176.094 0.059 0.000 1.047 48 V CA 2.377 64.778 62.300 0.168 0.000 0.999 48 V CB -0.749 31.204 31.823 0.217 0.000 0.635 48 V HN 0.381 nan 8.190 nan 0.000 0.450 49 N N -0.320 118.391 118.700 0.019 0.000 2.368 49 N HA -0.095 4.645 4.740 -0.000 0.000 0.178 49 N C 0.579 176.072 175.510 -0.028 0.000 1.021 49 N CA 0.314 53.344 53.050 -0.032 0.000 0.875 49 N CB -0.139 38.316 38.487 -0.053 0.000 1.020 49 N HN 0.450 nan 8.380 nan 0.000 0.433 50 R N 0.584 121.078 120.500 -0.010 0.000 3.125 50 R HA -0.108 4.232 4.340 -0.000 0.000 0.258 50 R C 0.691 176.981 176.300 -0.017 0.000 0.968 50 R CA 0.581 56.675 56.100 -0.009 0.000 0.656 50 R CB -2.249 28.047 30.300 -0.007 0.000 1.251 50 R HN 0.718 nan 8.270 nan 0.000 0.428 51 G N -0.957 107.834 108.800 -0.015 0.000 2.184 51 G HA2 -0.332 3.628 3.960 -0.000 0.000 0.264 51 G HA3 -0.332 3.628 3.960 -0.000 0.000 0.264 51 G C -0.108 174.794 174.900 0.004 0.000 0.975 51 G CA 0.418 45.513 45.100 -0.009 0.000 0.642 51 G HN 0.242 nan 8.290 nan 0.000 0.536 52 L N 0.736 121.943 121.223 -0.027 0.000 2.346 52 L HA 0.643 4.983 4.340 -0.000 0.000 0.276 52 L C 0.237 177.009 176.870 -0.163 0.000 1.006 52 L CA -0.705 54.116 54.840 -0.033 0.000 0.817 52 L CB 1.699 43.737 42.059 -0.035 0.000 1.272 52 L HN 0.358 nan 8.230 nan 0.000 0.421 53 N N 0.598 119.076 118.700 -0.370 0.000 3.167 53 N HA 0.769 5.509 4.740 -0.000 0.000 0.323 53 N C -1.139 174.106 175.510 -0.443 0.000 1.478 53 N CA -0.871 51.830 53.050 -0.581 0.000 0.753 53 N CB 1.845 39.678 38.487 -1.090 0.000 1.721 53 N HN 0.668 nan 8.380 nan 0.000 0.618 54 C N -1.663 117.433 119.300 -0.339 0.000 2.857 54 C HA 0.529 4.989 4.460 -0.000 0.000 0.397 54 C C 2.042 177.028 174.990 -0.007 0.000 1.558 54 C CA -0.702 58.258 59.018 -0.097 0.000 1.694 54 C CB -0.212 27.480 27.740 -0.079 0.000 2.120 54 C HN 0.584 nan 8.230 nan 0.000 0.475 55 V N 1.360 121.323 119.914 0.083 0.000 2.231 55 V HA -0.241 3.879 4.120 -0.000 0.000 0.248 55 V C 2.606 178.822 176.094 0.204 0.000 1.054 55 V CA 2.504 64.919 62.300 0.191 0.000 1.015 55 V CB -1.383 30.532 31.823 0.154 0.000 0.638 55 V HN 0.931 nan 8.190 nan 0.000 0.444 56 K N 0.910 121.341 120.400 0.052 0.000 2.152 56 K HA -0.120 4.200 4.320 -0.000 0.000 0.206 56 K C 2.293 178.982 176.600 0.149 0.000 1.048 56 K CA 1.509 57.827 56.287 0.052 0.000 0.933 56 K CB -0.714 31.610 32.500 -0.293 0.000 0.721 56 K HN 0.601 nan 8.250 nan 0.000 0.447 57 G N 0.646 109.433 108.800 -0.022 0.000 2.414 57 G HA2 -0.241 3.719 3.960 -0.000 0.000 0.215 57 G HA3 -0.241 3.719 3.960 -0.000 0.000 0.215 57 G C 1.250 176.065 174.900 -0.141 0.000 1.188 57 G CA 0.651 45.660 45.100 -0.150 0.000 0.783 57 G HN 0.283 nan 8.290 nan 0.000 0.537 58 Y N -0.449 119.798 120.300 -0.088 0.000 2.315 58 Y HA 0.001 4.551 4.550 -0.000 0.000 0.288 58 Y C 1.800 177.547 175.900 -0.254 0.000 1.154 58 Y CA 0.514 58.490 58.100 -0.207 0.000 1.229 58 Y CB -0.169 38.059 38.460 -0.385 0.000 0.980 58 Y HN 0.171 nan 8.280 nan 0.000 0.540 59 F N -0.748 119.306 119.950 0.173 0.000 2.663 59 F HA 0.115 4.642 4.527 -0.000 0.000 0.299 59 F C 1.295 177.134 175.800 0.065 0.000 1.143 59 F CA -0.150 57.924 58.000 0.123 0.000 1.387 59 F CB -0.162 38.893 39.000 0.093 0.000 1.019 59 F HN 0.018 nan 8.300 nan 0.000 0.523 60 L N -0.335 120.954 121.223 0.111 0.000 2.201 60 L HA -0.206 4.134 4.340 -0.000 0.000 0.212 60 L C 2.618 179.522 176.870 0.058 0.000 1.105 60 L CA 1.237 56.000 54.840 -0.129 0.000 0.775 60 L CB -0.553 41.267 42.059 -0.399 0.000 0.913 60 L HN 0.297 nan 8.230 nan 0.000 0.440 61 S N -0.157 115.671 115.700 0.214 0.000 2.400 61 S HA -0.222 4.248 4.470 -0.000 0.000 0.232 61 S C 1.664 176.470 174.600 0.343 0.000 1.025 61 S CA 1.075 59.450 58.200 0.292 0.000 0.993 61 S CB -0.299 63.061 63.200 0.267 0.000 0.808 61 S HN 0.470 nan 8.310 nan 0.000 0.478 62 K N 0.177 120.758 120.400 0.302 0.000 2.387 62 K HA 0.404 4.724 4.320 -0.000 0.000 0.198 62 K C 1.300 178.023 176.600 0.206 0.000 1.022 62 K CA -0.057 56.412 56.287 0.303 0.000 1.128 62 K CB -0.003 32.642 32.500 0.243 0.000 0.853 62 K HN 0.394 nan 8.250 nan 0.000 0.523 63 I N 1.217 121.848 120.570 0.102 0.000 2.353 63 I HA -0.160 4.010 4.170 -0.000 0.000 0.248 63 I C 1.897 178.055 176.117 0.068 0.000 1.119 63 I CA 1.183 62.511 61.300 0.047 0.000 1.417 63 I CB 0.093 38.024 38.000 -0.115 0.000 1.078 63 I HN 0.182 nan 8.210 nan 0.000 0.421 64 M N -1.130 118.374 119.600 -0.162 0.000 2.563 64 M HA 0.025 4.505 4.480 -0.000 0.000 0.231 64 M C 0.493 176.607 176.300 -0.311 0.000 1.136 64 M CA 0.847 55.964 55.300 -0.305 0.000 1.026 64 M CB -0.183 32.083 32.600 -0.557 0.000 1.597 64 M HN 0.184 nan 8.290 nan 0.000 0.495 65 Y N 0.623 121.046 120.300 0.205 0.000 2.636 65 Y HA 0.390 4.940 4.550 -0.000 0.000 0.260 65 Y C 1.559 177.555 175.900 0.160 0.000 1.177 65 Y CA -0.988 57.205 58.100 0.155 0.000 1.209 65 Y CB 0.181 38.702 38.460 0.101 0.000 1.166 65 Y HN 0.182 nan 8.280 nan 0.000 0.531 66 G N 1.208 110.212 108.800 0.340 0.000 2.554 66 G HA2 -0.020 3.940 3.960 -0.000 0.000 0.238 66 G HA3 -0.020 3.940 3.960 -0.000 0.000 0.238 66 G C 0.778 175.816 174.900 0.229 0.000 1.259 66 G CA -0.310 44.897 45.100 0.178 0.000 0.843 66 G HN 0.646 nan 8.290 nan 0.000 0.582 67 E N 0.325 120.598 120.200 0.122 0.000 2.516 67 E HA -0.064 4.286 4.350 -0.000 0.000 0.199 67 E C 0.358 177.027 176.600 0.116 0.000 1.069 67 E CA 0.683 57.148 56.400 0.109 0.000 0.876 67 E CB 0.191 29.925 29.700 0.057 0.000 0.843 67 E HN 0.379 nan 8.360 nan 0.000 0.530 68 D N 1.044 121.543 120.400 0.164 0.000 2.213 68 D HA -0.020 4.620 4.640 -0.000 0.000 0.205 68 D C 0.264 176.682 176.300 0.197 0.000 0.961 68 D CA 0.239 54.344 54.000 0.174 0.000 0.853 68 D CB -0.043 40.877 40.800 0.200 0.000 0.967 68 D HN -0.028 nan 8.370 nan 0.000 0.496 69 R N 1.267 121.920 120.500 0.255 0.000 3.342 69 R HA -0.140 4.200 4.340 -0.000 0.000 0.216 69 R C 0.062 176.353 176.300 -0.014 0.000 0.720 69 R CA 0.264 56.358 56.100 -0.009 0.000 0.995 69 R CB -0.786 29.491 30.300 -0.039 0.000 0.982 69 R HN 0.278 nan 8.270 nan 0.000 0.358 70 L N 3.213 124.404 121.223 -0.054 0.000 2.499 70 L HA -0.002 4.338 4.340 -0.000 0.000 0.273 70 L C 1.707 178.549 176.870 -0.047 0.000 1.195 70 L CA 0.543 55.356 54.840 -0.046 0.000 0.882 70 L CB 0.353 42.380 42.059 -0.054 0.000 1.133 70 L HN 0.714 nan 8.230 nan 0.000 0.483 71 T N -2.909 111.616 114.554 -0.049 0.000 2.975 71 T HA 0.158 4.508 4.350 -0.000 0.000 0.261 71 T C 0.490 175.142 174.700 -0.080 0.000 0.984 71 T CA -0.118 61.957 62.100 -0.042 0.000 0.911 71 T CB 0.463 69.316 68.868 -0.025 0.000 1.127 71 T HN 0.539 nan 8.240 nan 0.000 0.514 72 T N 3.077 117.551 114.554 -0.133 0.000 2.912 72 T HA 0.551 4.901 4.350 -0.000 0.000 0.299 72 T C -3.102 171.413 174.700 -0.309 0.000 1.052 72 T CA -1.421 60.543 62.100 -0.226 0.000 0.996 72 T CB 2.332 71.111 68.868 -0.149 0.000 1.070 72 T HN -0.178 nan 8.240 nan 0.000 0.465 73 P HA 0.303 nan 4.420 nan 0.000 0.269 73 P C -1.181 175.982 177.300 -0.229 0.000 1.209 73 P CA -0.540 62.275 63.100 -0.476 0.000 0.776 73 P CB 0.393 31.654 31.700 -0.732 0.000 0.876 74 L N 3.521 124.671 121.223 -0.123 0.000 2.372 74 L HA 0.396 4.736 4.340 -0.000 0.000 0.273 74 L C -0.311 176.709 176.870 0.251 0.000 0.989 74 L CA -0.561 54.305 54.840 0.044 0.000 0.841 74 L CB 0.603 42.635 42.059 -0.046 0.000 1.225 74 L HN 0.288 nan 8.230 nan 0.000 0.414 75 L N 3.724 125.075 121.223 0.215 0.000 2.375 75 L HA 0.532 4.872 4.340 -0.000 0.000 0.268 75 L C 0.584 177.571 176.870 0.195 0.000 1.058 75 L CA -0.185 54.775 54.840 0.200 0.000 0.803 75 L CB 0.960 43.087 42.059 0.113 0.000 1.212 75 L HN 0.469 nan 8.230 nan 0.000 0.451 76 R N 5.417 125.992 120.500 0.125 0.000 2.891 76 R HA 0.423 4.763 4.340 -0.000 0.000 0.248 76 R C -1.222 175.172 176.300 0.156 0.000 1.439 76 R CA -0.118 55.961 56.100 -0.035 0.000 1.288 76 R CB -0.258 29.972 30.300 -0.117 0.000 1.212 76 R HN 0.736 nan 8.270 nan 0.000 0.605 77 M N 1.615 121.276 119.600 0.101 0.000 4.045 77 M HA -0.199 4.281 4.480 -0.000 0.000 0.157 77 M C 0.716 177.092 176.300 0.128 0.000 1.532 77 M CA 0.113 55.474 55.300 0.102 0.000 1.096 77 M CB -0.153 32.503 32.600 0.093 0.000 1.346 77 M HN 0.492 nan 8.290 nan 0.000 0.192 78 K N 2.208 122.662 120.400 0.091 0.000 1.965 78 K HA -0.073 4.247 4.320 -0.000 0.000 0.214 78 K C 0.154 176.800 176.600 0.077 0.000 1.046 78 K CA 1.895 58.229 56.287 0.078 0.000 0.944 78 K CB 0.292 32.827 32.500 0.058 0.000 0.726 78 K HN 0.607 nan 8.250 nan 0.000 0.441 79 D N -3.173 117.263 120.400 0.061 0.000 2.419 79 D HA 0.453 5.093 4.640 -0.000 0.000 0.234 79 D C -0.271 176.056 176.300 0.046 0.000 1.014 79 D CA 0.592 54.624 54.000 0.054 0.000 0.919 79 D CB 1.993 42.817 40.800 0.040 0.000 1.366 79 D HN 0.436 nan 8.370 nan 0.000 0.490 80 G N -0.455 108.370 108.800 0.042 0.000 2.211 80 G HA2 -0.138 3.822 3.960 -0.000 0.000 0.201 80 G HA3 -0.138 3.822 3.960 -0.000 0.000 0.201 80 G C 0.706 175.632 174.900 0.044 0.000 0.997 80 G CA 0.231 45.346 45.100 0.026 0.000 0.652 80 G HN 1.014 nan 8.290 nan 0.000 0.500 81 V N -2.264 117.694 119.914 0.075 0.000 0.654 81 V HA 0.031 4.151 4.120 -0.000 0.000 0.092 81 V C -0.284 175.935 176.094 0.209 0.000 1.282 81 V CA 1.979 64.347 62.300 0.114 0.000 3.216 81 V CB -1.093 30.784 31.823 0.089 0.000 0.449 81 V HN 2.368 nan 8.190 nan 0.000 0.442 82 Y N 1.551 121.895 120.300 0.073 0.000 2.189 82 Y HA 0.611 5.161 4.550 -0.000 0.000 0.318 82 Y C -1.370 174.604 175.900 0.124 0.000 1.382 82 Y CA -0.083 58.069 58.100 0.087 0.000 1.442 82 Y CB 0.280 38.792 38.460 0.087 0.000 1.276 82 Y HN 0.723 nan 8.280 nan 0.000 0.413 83 H N 6.292 124.943 119.070 -0.698 0.000 2.840 83 H HA 0.348 4.903 4.556 -0.000 0.000 0.340 83 H C -1.209 173.768 175.328 -0.584 0.000 1.004 83 H CA -0.830 54.820 56.048 -0.663 0.000 1.288 83 H CB 1.854 31.443 29.762 -0.287 0.000 1.607 83 H HN 0.853 nan 8.280 nan 0.000 0.522 84 K N 3.985 123.879 120.400 -0.844 0.000 2.351 84 K HA 0.019 4.339 4.320 -0.000 0.000 0.287 84 K C -0.059 176.372 176.600 -0.281 0.000 1.068 84 K CA 0.655 56.715 56.287 -0.378 0.000 0.998 84 K CB 0.161 32.522 32.500 -0.232 0.000 0.968 84 K HN 0.903 nan 8.250 nan 0.000 0.464 85 E N 1.313 121.474 120.200 -0.066 0.000 4.503 85 E HA -0.087 4.263 4.350 -0.000 0.000 0.381 85 E C 0.131 176.787 176.600 0.094 0.000 0.608 85 E CA 0.185 56.617 56.400 0.054 0.000 1.565 85 E CB -1.144 28.648 29.700 0.153 0.000 1.888 85 E HN 0.886 nan 8.360 nan 0.000 0.314 86 G N 0.505 109.312 108.800 0.012 0.000 2.783 86 G HA2 0.488 4.448 3.960 -0.000 0.000 0.182 86 G HA3 0.488 4.448 3.960 -0.000 0.000 0.182 86 G C 0.201 175.042 174.900 -0.098 0.000 1.516 86 G CA 0.095 45.176 45.100 -0.032 0.000 1.079 86 G HN 0.130 nan 8.290 nan 0.000 0.573 87 E N -1.865 118.268 120.200 -0.111 0.000 2.493 87 E HA 0.641 4.991 4.350 -0.000 0.000 0.243 87 E C -1.685 174.811 176.600 -0.173 0.000 0.875 87 E CA -0.722 55.635 56.400 -0.072 0.000 0.872 87 E CB 1.802 31.505 29.700 0.006 0.000 1.476 87 E HN 0.251 nan 8.360 nan 0.000 0.394 88 F N 0.045 120.029 119.950 0.056 0.000 2.518 88 F HA 0.656 5.183 4.527 -0.000 0.000 0.323 88 F C -0.703 175.117 175.800 0.034 0.000 1.129 88 F CA -0.629 57.401 58.000 0.050 0.000 0.920 88 F CB 2.036 41.059 39.000 0.039 0.000 1.160 88 F HN 0.509 nan 8.300 nan 0.000 0.440 89 A N 5.295 128.264 122.820 0.249 0.000 2.435 89 A HA 0.855 5.175 4.320 -0.000 0.000 0.304 89 A C -2.933 174.707 177.584 0.094 0.000 1.064 89 A CA -2.099 50.020 52.037 0.136 0.000 0.727 89 A CB 1.612 20.670 19.000 0.096 0.000 1.284 89 A HN 0.390 nan 8.150 nan 0.000 0.415 90 P HA 0.363 nan 4.420 nan 0.000 0.270 90 P C -0.781 176.511 177.300 -0.013 0.000 1.223 90 P CA 0.071 63.167 63.100 -0.008 0.000 0.785 90 P CB 0.789 32.484 31.700 -0.008 0.000 0.923 91 V N 0.783 120.660 119.914 -0.062 0.000 3.036 91 V HA 0.260 4.380 4.120 -0.000 0.000 0.288 91 V C -0.325 175.706 176.094 -0.106 0.000 1.407 91 V CA -0.542 61.728 62.300 -0.050 0.000 0.983 91 V CB 2.049 33.858 31.823 -0.023 0.000 1.128 91 V HN 0.674 nan 8.190 nan 0.000 0.439 92 S N 4.167 119.842 115.700 -0.042 0.000 2.580 92 S HA 0.100 4.570 4.470 -0.000 0.000 0.266 92 S C 0.776 175.361 174.600 -0.025 0.000 1.354 92 S CA 1.008 59.198 58.200 -0.016 0.000 1.008 92 S CB 0.518 63.761 63.200 0.072 0.000 0.898 92 S HN 0.742 nan 8.310 nan 0.000 0.555 93 W N 1.290 122.608 121.300 0.030 0.000 2.354 93 W HA -0.085 4.575 4.660 -0.000 0.000 0.315 93 W C 2.370 178.899 176.519 0.017 0.000 1.206 93 W CA 1.232 58.569 57.345 -0.013 0.000 1.290 93 W CB -0.327 29.223 29.460 0.149 0.000 1.152 93 W HN 0.761 nan 8.180 nan 0.000 0.489 94 D N 0.142 120.779 120.400 0.394 0.000 2.106 94 D HA -0.220 4.420 4.640 -0.000 0.000 0.191 94 D C 1.778 178.230 176.300 0.255 0.000 0.997 94 D CA 1.948 56.151 54.000 0.338 0.000 0.834 94 D CB -0.516 40.431 40.800 0.245 0.000 0.956 94 D HN 0.365 nan 8.370 nan 0.000 0.448 95 E N 0.776 121.073 120.200 0.163 0.000 2.049 95 E HA -0.196 4.154 4.350 -0.000 0.000 0.198 95 E C 2.201 178.871 176.600 0.117 0.000 1.007 95 E CA 1.106 57.575 56.400 0.115 0.000 0.809 95 E CB -0.152 29.589 29.700 0.069 0.000 0.749 95 E HN 0.206 nan 8.360 nan 0.000 0.450 96 A N 1.063 123.921 122.820 0.063 0.000 1.892 96 A HA -0.214 4.106 4.320 -0.000 0.000 0.218 96 A C 1.958 179.641 177.584 0.164 0.000 1.188 96 A CA 1.557 53.603 52.037 0.014 0.000 0.631 96 A CB -0.760 18.133 19.000 -0.178 0.000 0.822 96 A HN 0.176 nan 8.150 nan 0.000 0.447 97 F N 0.439 120.533 119.950 0.240 0.000 2.206 97 F HA -0.058 4.469 4.527 -0.000 0.000 0.298 97 F C 2.030 177.952 175.800 0.203 0.000 1.090 97 F CA 0.910 59.073 58.000 0.271 0.000 1.323 97 F CB -0.769 38.432 39.000 0.335 0.000 1.028 97 F HN 0.223 nan 8.300 nan 0.000 0.492 98 D N 0.040 120.635 120.400 0.326 0.000 2.104 98 D HA -0.155 4.485 4.640 -0.000 0.000 0.194 98 D C 2.542 178.912 176.300 0.116 0.000 0.994 98 D CA 1.409 55.510 54.000 0.168 0.000 0.830 98 D CB -0.584 40.287 40.800 0.119 0.000 0.959 98 D HN 0.080 nan 8.370 nan 0.000 0.452 99 V N 0.773 120.749 119.914 0.103 0.000 2.358 99 V HA -0.174 3.946 4.120 -0.000 0.000 0.246 99 V C 2.408 178.484 176.094 -0.030 0.000 1.047 99 V CA 1.256 63.557 62.300 0.000 0.000 1.035 99 V CB -0.393 31.412 31.823 -0.029 0.000 0.658 99 V HN 0.225 nan 8.190 nan 0.000 0.452 100 M N -0.257 119.440 119.600 0.161 0.000 2.296 100 M HA -0.098 4.382 4.480 -0.000 0.000 0.265 100 M C 1.986 178.556 176.300 0.449 0.000 1.064 100 M CA 1.749 57.237 55.300 0.313 0.000 1.109 100 M CB -0.142 32.639 32.600 0.302 0.000 1.396 100 M HN 0.401 nan 8.290 nan 0.000 0.430 101 A N -0.250 122.804 122.820 0.390 0.000 1.903 101 A HA 0.141 4.461 4.320 -0.000 0.000 0.213 101 A C 2.224 179.824 177.584 0.028 0.000 1.185 101 A CA 1.205 53.413 52.037 0.285 0.000 0.628 101 A CB -0.805 18.193 19.000 -0.003 0.000 0.830 101 A HN 0.548 nan 8.150 nan 0.000 0.446 102 A N -0.634 122.176 122.820 -0.016 0.000 1.877 102 A HA -0.197 4.123 4.320 -0.000 0.000 0.216 102 A C 2.115 179.652 177.584 -0.078 0.000 1.186 102 A CA 1.672 53.667 52.037 -0.070 0.000 0.620 102 A CB -0.557 18.402 19.000 -0.068 0.000 0.822 102 A HN 0.473 nan 8.150 nan 0.000 0.443 103 Q N -0.340 119.384 119.800 -0.127 0.000 2.096 103 Q HA -0.200 4.140 4.340 -0.000 0.000 0.204 103 Q C 2.459 178.458 176.000 -0.002 0.000 0.982 103 Q CA 1.692 57.413 55.803 -0.138 0.000 0.850 103 Q CB -0.804 27.637 28.738 -0.494 0.000 0.901 103 Q HN 0.666 nan 8.270 nan 0.000 0.422 104 A N 1.743 124.511 122.820 -0.086 0.000 1.841 104 A HA -0.235 4.085 4.320 -0.000 0.000 0.216 104 A C 2.112 179.570 177.584 -0.210 0.000 1.199 104 A CA 1.879 53.627 52.037 -0.481 0.000 0.621 104 A CB -0.586 18.046 19.000 -0.613 0.000 0.835 104 A HN 0.312 nan 8.150 nan 0.000 0.445 105 K N -0.739 119.624 120.400 -0.062 0.000 2.107 105 K HA -0.250 4.070 4.320 -0.000 0.000 0.211 105 K C 1.937 178.514 176.600 -0.038 0.000 1.049 105 K CA 1.742 58.016 56.287 -0.022 0.000 0.927 105 K CB -0.668 31.799 32.500 -0.055 0.000 0.714 105 K HN 0.493 nan 8.250 nan 0.000 0.452 106 L N 0.951 122.151 121.223 -0.039 0.000 1.943 106 L HA -0.186 4.154 4.340 -0.000 0.000 0.215 106 L C 2.070 178.935 176.870 -0.009 0.000 1.074 106 L CA 1.641 56.469 54.840 -0.019 0.000 0.759 106 L CB -0.850 41.201 42.059 -0.014 0.000 0.888 106 L HN -0.070 nan 8.230 nan 0.000 0.433 107 V N -0.010 119.905 119.914 0.002 0.000 2.370 107 V HA -0.287 3.833 4.120 -0.000 0.000 0.252 107 V C 2.459 178.552 176.094 -0.003 0.000 1.068 107 V CA 1.900 64.215 62.300 0.025 0.000 1.061 107 V CB -0.952 30.922 31.823 0.086 0.000 0.656 107 V HN 0.519 nan 8.190 nan 0.000 0.455 108 L N -0.625 120.570 121.223 -0.047 0.000 2.713 108 L HA 0.091 4.431 4.340 -0.000 0.000 0.245 108 L C 1.541 178.407 176.870 -0.007 0.000 1.169 108 L CA 1.398 56.209 54.840 -0.048 0.000 0.962 108 L CB -0.631 41.356 42.059 -0.119 0.000 1.161 108 L HN 0.126 nan 8.230 nan 0.000 0.427 109 K N -1.860 118.539 120.400 -0.002 0.000 2.590 109 K HA 0.200 4.520 4.320 -0.000 0.000 0.218 109 K C 1.313 177.915 176.600 0.004 0.000 1.536 109 K CA 0.166 56.457 56.287 0.006 0.000 1.013 109 K CB 0.700 33.202 32.500 0.004 0.000 1.265 109 K HN 0.212 nan 8.250 nan 0.000 0.603 110 E N 0.578 120.780 120.200 0.004 0.000 2.251 110 E HA 0.093 4.443 4.350 -0.000 0.000 0.194 110 E C 0.771 177.371 176.600 -0.000 0.000 0.964 110 E CA 0.747 57.150 56.400 0.004 0.000 0.868 110 E CB 0.591 30.297 29.700 0.009 0.000 0.828 110 E HN 0.029 nan 8.360 nan 0.000 0.481 111 K N -1.044 119.357 120.400 0.001 0.000 2.529 111 K HA 0.294 4.614 4.320 -0.000 0.000 0.215 111 K C -0.047 176.542 176.600 -0.019 0.000 1.286 111 K CA 0.487 56.768 56.287 -0.010 0.000 0.997 111 K CB 1.867 34.367 32.500 -0.000 0.000 1.063 111 K HN 0.107 nan 8.250 nan 0.000 0.590 112 A N 1.369 124.187 122.820 -0.002 0.000 6.356 112 A HA -0.176 4.144 4.320 -0.000 0.000 0.233 112 A C -2.078 175.525 177.584 0.031 0.000 2.292 112 A CA 0.026 52.067 52.037 0.007 0.000 0.696 112 A CB -1.988 17.009 19.000 -0.006 0.000 0.916 112 A HN 0.077 nan 8.150 nan 0.000 0.356 113 P HA -0.190 nan 4.420 nan 0.000 0.217 113 P C 0.785 178.216 177.300 0.219 0.000 1.158 113 P CA 2.119 65.348 63.100 0.215 0.000 0.887 113 P CB -0.404 31.535 31.700 0.398 0.000 0.792 114 E N -1.070 119.081 120.200 -0.081 0.000 2.527 114 E HA 0.053 4.403 4.350 -0.000 0.000 0.204 114 E C 1.291 177.913 176.600 0.037 0.000 1.132 114 E CA 0.544 56.839 56.400 -0.174 0.000 0.905 114 E CB -0.352 29.018 29.700 -0.549 0.000 0.875 114 E HN 0.302 nan 8.360 nan 0.000 0.548 115 A N 0.571 123.453 122.820 0.103 0.000 2.390 115 A HA 0.136 4.456 4.320 -0.000 0.000 0.225 115 A C 0.883 178.597 177.584 0.217 0.000 1.232 115 A CA -0.256 51.855 52.037 0.124 0.000 0.964 115 A CB 0.569 19.615 19.000 0.076 0.000 1.064 115 A HN 0.104 nan 8.150 nan 0.000 0.525 116 V N -1.480 118.590 119.914 0.260 0.000 2.539 116 V HA 0.849 4.969 4.120 -0.000 0.000 0.292 116 V C 0.204 176.565 176.094 0.445 0.000 1.045 116 V CA -0.047 62.475 62.300 0.370 0.000 0.945 116 V CB 1.013 32.964 31.823 0.214 0.000 0.993 116 V HN 0.589 nan 8.190 nan 0.000 0.464 117 G N 3.340 112.470 108.800 0.550 0.000 2.746 117 G HA2 0.635 4.594 3.960 -0.000 0.000 0.297 117 G HA3 0.635 4.594 3.960 -0.000 0.000 0.297 117 G C -1.315 173.822 174.900 0.395 0.000 1.426 117 G CA -0.875 44.538 45.100 0.522 0.000 0.989 117 G HN 0.653 nan 8.290 nan 0.000 0.520 118 M N 1.193 120.975 119.600 0.303 0.000 2.528 118 M HA 0.564 5.044 4.480 -0.000 0.000 0.321 118 M C -1.698 174.685 176.300 0.138 0.000 1.153 118 M CA -0.819 54.581 55.300 0.166 0.000 0.951 118 M CB 2.759 35.520 32.600 0.269 0.000 1.705 118 M HN 0.439 nan 8.290 nan 0.000 0.451 119 F N 1.489 121.295 119.950 -0.240 0.000 2.646 119 F HA 0.588 5.115 4.527 -0.000 0.000 0.364 119 F C 0.087 175.666 175.800 -0.370 0.000 1.137 119 F CA -0.664 57.206 58.000 -0.216 0.000 1.085 119 F CB 0.725 39.619 39.000 -0.178 0.000 1.331 119 F HN 0.562 nan 8.300 nan 0.000 0.472 120 G N 1.849 110.177 108.800 -0.786 0.000 2.531 120 G HA2 0.591 4.551 3.960 -0.000 0.000 0.281 120 G HA3 0.591 4.551 3.960 -0.000 0.000 0.281 120 G C -0.831 173.378 174.900 -1.151 0.000 1.382 120 G CA -0.109 44.113 45.100 -1.463 0.000 1.045 120 G HN 0.831 nan 8.290 nan 0.000 0.533 121 S N -3.194 111.902 115.700 -1.006 0.000 2.570 121 S HA 0.519 4.989 4.470 -0.000 0.000 0.270 121 S C 0.557 175.066 174.600 -0.152 0.000 1.149 121 S CA 0.163 58.068 58.200 -0.493 0.000 0.837 121 S CB 1.333 64.305 63.200 -0.381 0.000 1.124 121 S HN 1.347 nan 8.310 nan 0.000 0.465 122 G N -0.142 108.624 108.800 -0.057 0.000 3.155 122 G HA2 0.159 4.119 3.960 -0.000 0.000 0.213 122 G HA3 0.159 4.119 3.960 -0.000 0.000 0.213 122 G C 0.534 175.469 174.900 0.057 0.000 1.196 122 G CA -0.027 45.103 45.100 0.050 0.000 0.846 122 G HN 0.718 nan 8.290 nan 0.000 0.516 123 Q N -1.333 118.522 119.800 0.092 0.000 2.217 123 Q HA 0.108 4.448 4.340 -0.000 0.000 0.217 123 Q C 0.118 176.354 176.000 0.394 0.000 0.844 123 Q CA -0.695 55.200 55.803 0.153 0.000 0.957 123 Q CB 0.761 29.607 28.738 0.181 0.000 1.127 123 Q HN 0.373 nan 8.270 nan 0.000 0.503 124 W N 2.017 123.415 121.300 0.164 0.000 2.184 124 W HA 0.166 4.826 4.660 -0.000 0.000 0.338 124 W C 0.588 177.231 176.519 0.207 0.000 1.257 124 W CA -0.329 57.098 57.345 0.136 0.000 1.243 124 W CB 0.778 30.243 29.460 0.008 0.000 1.122 124 W HN -0.186 nan 8.180 nan 0.000 0.585 125 T N 4.450 119.147 114.554 0.238 0.000 2.868 125 T HA 0.105 4.455 4.350 -0.000 0.000 0.292 125 T C 1.946 176.423 174.700 -0.372 0.000 1.028 125 T CA -0.454 61.522 62.100 -0.206 0.000 1.059 125 T CB 0.716 69.220 68.868 -0.607 0.000 0.991 125 T HN 0.255 nan 8.240 nan 0.000 0.531 126 I N 0.219 120.429 120.570 -0.600 0.000 2.145 126 I HA -0.244 3.926 4.170 -0.000 0.000 0.244 126 I C 2.032 177.904 176.117 -0.409 0.000 1.075 126 I CA 1.883 62.898 61.300 -0.475 0.000 1.332 126 I CB -0.257 37.478 38.000 -0.441 0.000 1.033 126 I HN 0.844 nan 8.210 nan 0.000 0.410 127 W N 0.912 122.107 121.300 -0.176 0.000 2.937 127 W HA 0.067 4.727 4.660 -0.000 0.000 0.245 127 W C 1.817 178.197 176.519 -0.232 0.000 1.306 127 W CA 0.024 57.287 57.345 -0.137 0.000 1.470 127 W CB -1.063 28.342 29.460 -0.092 0.000 1.132 127 W HN 0.072 nan 8.180 nan 0.000 0.675 128 E N 0.684 120.756 120.200 -0.214 0.000 2.122 128 E HA -0.002 4.348 4.350 -0.000 0.000 0.190 128 E C 2.489 178.482 176.600 -1.012 0.000 0.977 128 E CA 1.036 57.121 56.400 -0.525 0.000 0.820 128 E CB -0.426 28.932 29.700 -0.569 0.000 0.770 128 E HN 0.447 nan 8.360 nan 0.000 0.462 129 G N 0.189 108.547 108.800 -0.736 0.000 2.511 129 G HA2 -0.224 3.736 3.960 -0.000 0.000 0.217 129 G HA3 -0.224 3.736 3.960 -0.000 0.000 0.217 129 G C 1.269 175.945 174.900 -0.373 0.000 1.133 129 G CA 0.118 44.835 45.100 -0.638 0.000 0.792 129 G HN 0.248 nan 8.290 nan 0.000 0.539 130 Y N 1.360 121.410 120.300 -0.416 0.000 2.206 130 Y HA 0.180 4.730 4.550 -0.000 0.000 0.292 130 Y C 2.932 178.677 175.900 -0.259 0.000 1.123 130 Y CA 1.124 59.040 58.100 -0.306 0.000 1.142 130 Y CB 0.070 38.370 38.460 -0.267 0.000 1.006 130 Y HN 0.221 nan 8.280 nan 0.000 0.518 131 A N 0.559 123.213 122.820 -0.277 0.000 1.978 131 A HA -0.183 4.137 4.320 -0.000 0.000 0.220 131 A C 2.256 179.661 177.584 -0.298 0.000 1.170 131 A CA 1.752 53.644 52.037 -0.242 0.000 0.636 131 A CB -1.305 17.550 19.000 -0.242 0.000 0.810 131 A HN 0.615 nan 8.150 nan 0.000 0.448 132 A N -0.996 121.556 122.820 -0.447 0.000 1.855 132 A HA -0.058 4.262 4.320 -0.000 0.000 0.215 132 A C 2.468 179.901 177.584 -0.253 0.000 1.191 132 A CA 1.986 53.795 52.037 -0.379 0.000 0.613 132 A CB -1.112 17.502 19.000 -0.644 0.000 0.829 132 A HN 0.529 nan 8.150 nan 0.000 0.442 133 S N -0.562 114.981 115.700 -0.261 0.000 2.365 133 S HA -0.250 4.220 4.470 -0.000 0.000 0.225 133 S C 2.111 176.521 174.600 -0.318 0.000 1.039 133 S CA 2.151 60.249 58.200 -0.169 0.000 1.033 133 S CB -0.337 62.818 63.200 -0.075 0.000 0.887 133 S HN 0.556 nan 8.310 nan 0.000 0.447 134 K N 0.042 120.052 120.400 -0.650 0.000 2.009 134 K HA -0.134 4.186 4.320 -0.000 0.000 0.210 134 K C 2.127 178.352 176.600 -0.625 0.000 1.049 134 K CA 1.719 57.398 56.287 -1.013 0.000 0.929 134 K CB -0.462 31.282 32.500 -1.259 0.000 0.714 134 K HN 0.354 nan 8.250 nan 0.000 0.440 135 L N 0.707 121.657 121.223 -0.455 0.000 2.042 135 L HA -0.186 4.154 4.340 -0.000 0.000 0.210 135 L C 2.028 178.655 176.870 -0.405 0.000 1.076 135 L CA 1.758 56.345 54.840 -0.422 0.000 0.749 135 L CB -0.309 41.606 42.059 -0.240 0.000 0.893 135 L HN 0.253 nan 8.230 nan 0.000 0.432 136 M N -0.970 118.523 119.600 -0.178 0.000 2.200 136 M HA -0.096 4.384 4.480 -0.000 0.000 0.265 136 M C 2.391 178.697 176.300 0.010 0.000 1.066 136 M CA 1.567 56.876 55.300 0.013 0.000 1.127 136 M CB -0.734 31.933 32.600 0.112 0.000 1.379 136 M HN 0.308 nan 8.290 nan 0.000 0.420 137 R N -0.662 119.799 120.500 -0.064 0.000 2.056 137 R HA 0.218 4.558 4.340 -0.000 0.000 0.215 137 R C 2.270 178.554 176.300 -0.026 0.000 1.205 137 R CA 0.975 57.063 56.100 -0.020 0.000 1.020 137 R CB -0.650 29.671 30.300 0.036 0.000 0.911 137 R HN 0.273 nan 8.270 nan 0.000 0.451 138 A N 0.932 123.705 122.820 -0.079 0.000 2.019 138 A HA -0.013 4.307 4.320 -0.000 0.000 0.219 138 A C 1.963 179.564 177.584 0.030 0.000 1.164 138 A CA 1.755 53.755 52.037 -0.062 0.000 0.644 138 A CB -0.902 18.002 19.000 -0.160 0.000 0.805 138 A HN 0.459 nan 8.150 nan 0.000 0.449 139 G N -1.275 107.463 108.800 -0.102 0.000 2.632 139 G HA2 0.098 4.058 3.960 -0.000 0.000 0.220 139 G HA3 0.098 4.058 3.960 -0.000 0.000 0.220 139 G C 1.094 176.037 174.900 0.073 0.000 1.439 139 G CA 0.456 45.486 45.100 -0.117 0.000 0.934 139 G HN 0.416 nan 8.290 nan 0.000 0.536 140 F N 0.757 120.685 119.950 -0.038 0.000 2.722 140 F HA 0.178 4.705 4.527 -0.000 0.000 0.298 140 F C 1.179 177.033 175.800 0.090 0.000 1.175 140 F CA 0.039 58.023 58.000 -0.027 0.000 1.462 140 F CB 0.053 39.009 39.000 -0.073 0.000 1.111 140 F HN 0.017 nan 8.300 nan 0.000 0.592 141 R N 0.858 121.497 120.500 0.232 0.000 3.333 141 R HA -0.193 4.146 4.340 -0.000 0.000 0.256 141 R C -0.337 176.137 176.300 0.290 0.000 1.010 141 R CA 0.626 56.835 56.100 0.181 0.000 0.680 141 R CB -1.878 28.522 30.300 0.166 0.000 1.102 141 R HN 0.222 nan 8.270 nan 0.000 0.440 142 S N -0.309 115.532 115.700 0.235 0.000 2.557 142 S HA 0.402 4.872 4.470 -0.000 0.000 0.291 142 S C 0.198 174.737 174.600 -0.101 0.000 1.116 142 S CA -0.950 57.413 58.200 0.270 0.000 0.992 142 S CB 1.333 64.811 63.200 0.465 0.000 1.028 142 S HN 0.266 nan 8.310 nan 0.000 0.484 143 N N 3.796 122.101 118.700 -0.659 0.000 2.327 143 N HA 0.150 4.890 4.740 -0.000 0.000 0.231 143 N C -0.151 175.293 175.510 -0.110 0.000 1.130 143 N CA 0.011 52.796 53.050 -0.442 0.000 0.845 143 N CB -0.171 37.904 38.487 -0.687 0.000 1.073 143 N HN 0.681 nan 8.380 nan 0.000 0.496 144 N N 0.872 119.642 118.700 0.117 0.000 2.623 144 N HA 0.034 4.774 4.740 -0.000 0.000 0.263 144 N C -0.708 174.971 175.510 0.281 0.000 1.218 144 N CA -0.162 53.066 53.050 0.295 0.000 0.949 144 N CB 0.179 38.924 38.487 0.429 0.000 1.270 144 N HN 0.071 nan 8.380 nan 0.000 0.507 145 L N 0.541 121.890 121.223 0.210 0.000 2.276 145 L HA 0.482 4.822 4.340 -0.000 0.000 0.286 145 L C -1.018 175.966 176.870 0.190 0.000 1.024 145 L CA -0.203 54.761 54.840 0.207 0.000 0.826 145 L CB 1.104 43.260 42.059 0.162 0.000 1.211 145 L HN -0.090 nan 8.230 nan 0.000 0.422 146 D N 6.303 126.830 120.400 0.210 0.000 2.601 146 D HA 0.694 5.334 4.640 -0.000 0.000 0.230 146 D C -2.920 173.297 176.300 -0.139 0.000 1.106 146 D CA -1.227 52.858 54.000 0.141 0.000 0.873 146 D CB 3.174 44.179 40.800 0.342 0.000 1.515 146 D HN 0.336 nan 8.370 nan 0.000 0.468 147 P HA 0.271 nan 4.420 nan 0.000 0.290 147 P C -0.077 176.704 177.300 -0.864 0.000 1.302 147 P CA -0.439 62.173 63.100 -0.813 0.000 0.893 147 P CB 1.213 32.455 31.700 -0.763 0.000 1.272 148 N N -0.214 117.947 118.700 -0.900 0.000 2.512 148 N HA -0.079 4.661 4.740 -0.000 0.000 0.183 148 N C 1.457 176.837 175.510 -0.217 0.000 1.073 148 N CA 1.036 53.785 53.050 -0.501 0.000 0.911 148 N CB -1.482 36.830 38.487 -0.291 0.000 0.964 148 N HN 0.357 nan 8.380 nan 0.000 0.447 149 A N 0.867 123.557 122.820 -0.217 0.000 2.172 149 A HA -0.042 4.278 4.320 -0.000 0.000 0.216 149 A C 2.270 179.973 177.584 0.198 0.000 1.154 149 A CA 0.909 52.960 52.037 0.024 0.000 0.701 149 A CB -0.660 18.362 19.000 0.038 0.000 0.789 149 A HN 0.339 nan 8.150 nan 0.000 0.465 150 R N -0.772 119.785 120.500 0.094 0.000 2.120 150 R HA -0.143 4.197 4.340 -0.000 0.000 0.234 150 R C 1.639 178.105 176.300 0.276 0.000 1.123 150 R CA 1.637 57.894 56.100 0.261 0.000 0.975 150 R CB -0.364 30.054 30.300 0.197 0.000 0.866 150 R HN 0.610 nan 8.270 nan 0.000 0.446 151 H N -1.657 117.579 119.070 0.277 0.000 2.535 151 H HA 0.004 4.560 4.556 -0.000 0.000 0.273 151 H C 1.728 177.216 175.328 0.268 0.000 0.983 151 H CA 0.893 57.127 56.048 0.310 0.000 1.238 151 H CB -0.247 29.693 29.762 0.296 0.000 1.412 151 H HN 0.319 nan 8.280 nan 0.000 0.562 152 C N -0.274 119.222 119.300 0.328 0.000 2.742 152 C HA 0.114 4.574 4.460 -0.000 0.000 0.284 152 C C 1.951 177.110 174.990 0.282 0.000 1.481 152 C CA 0.139 59.321 59.018 0.272 0.000 1.809 152 C CB -0.350 27.519 27.740 0.215 0.000 1.991 152 C HN 0.275 nan 8.230 nan 0.000 0.660 153 M N 1.310 121.091 119.600 0.302 0.000 2.333 153 M HA 0.314 4.794 4.480 -0.000 0.000 0.257 153 M C 1.954 178.421 176.300 0.278 0.000 1.078 153 M CA 0.657 56.135 55.300 0.296 0.000 1.005 153 M CB -1.416 31.368 32.600 0.307 0.000 1.444 153 M HN 0.499 nan 8.290 nan 0.000 0.496 154 A N 0.509 123.506 122.820 0.295 0.000 1.884 154 A HA -0.196 4.124 4.320 -0.000 0.000 0.219 154 A C 2.453 180.125 177.584 0.147 0.000 1.197 154 A CA 2.596 54.758 52.037 0.209 0.000 0.637 154 A CB -0.923 18.222 19.000 0.241 0.000 0.827 154 A HN 0.447 nan 8.150 nan 0.000 0.450 155 S N -0.224 115.571 115.700 0.159 0.000 2.359 155 S HA -0.167 4.303 4.470 -0.000 0.000 0.223 155 S C 2.338 177.011 174.600 0.121 0.000 1.039 155 S CA 1.639 59.910 58.200 0.118 0.000 1.042 155 S CB -0.697 62.581 63.200 0.130 0.000 0.915 155 S HN 0.892 nan 8.310 nan 0.000 0.439 156 A N 1.582 124.513 122.820 0.186 0.000 1.883 156 A HA 0.036 4.356 4.320 -0.000 0.000 0.217 156 A C 2.396 180.091 177.584 0.185 0.000 1.186 156 A CA 1.952 54.096 52.037 0.177 0.000 0.624 156 A CB -1.244 17.904 19.000 0.247 0.000 0.822 156 A HN 0.550 nan 8.150 nan 0.000 0.444 157 A N -1.243 121.749 122.820 0.288 0.000 1.902 157 A HA -0.094 4.226 4.320 -0.000 0.000 0.217 157 A C 2.322 180.051 177.584 0.243 0.000 1.181 157 A CA 2.364 54.611 52.037 0.351 0.000 0.623 157 A CB -1.350 17.738 19.000 0.147 0.000 0.818 157 A HN 0.435 nan 8.150 nan 0.000 0.443 158 T N 0.291 114.921 114.554 0.128 0.000 2.652 158 T HA -0.088 4.262 4.350 -0.000 0.000 0.267 158 T C 2.218 176.966 174.700 0.079 0.000 1.039 158 T CA 1.877 64.028 62.100 0.086 0.000 1.153 158 T CB -0.503 68.393 68.868 0.047 0.000 0.863 158 T HN 0.615 nan 8.240 nan 0.000 0.428 159 A N 0.314 123.138 122.820 0.006 0.000 1.972 159 A HA -0.001 4.319 4.320 -0.000 0.000 0.219 159 A C 2.035 179.570 177.584 -0.081 0.000 1.169 159 A CA 1.205 53.119 52.037 -0.205 0.000 0.635 159 A CB -1.045 17.749 19.000 -0.344 0.000 0.810 159 A HN 0.534 nan 8.150 nan 0.000 0.446 160 F N -0.669 119.329 119.950 0.080 0.000 2.065 160 F HA -0.297 4.230 4.527 -0.000 0.000 0.298 160 F C 2.718 178.581 175.800 0.105 0.000 1.112 160 F CA 1.477 59.558 58.000 0.136 0.000 1.212 160 F CB -0.182 38.901 39.000 0.137 0.000 0.975 160 F HN 0.137 nan 8.300 nan 0.000 0.476 161 M N 0.128 119.905 119.600 0.295 0.000 2.065 161 M HA -0.211 4.269 4.480 -0.000 0.000 0.259 161 M C 2.114 178.480 176.300 0.109 0.000 1.071 161 M CA 1.783 57.192 55.300 0.181 0.000 1.109 161 M CB -1.440 31.249 32.600 0.148 0.000 1.313 161 M HN 0.095 nan 8.290 nan 0.000 0.408 162 R N -0.148 120.408 120.500 0.093 0.000 2.094 162 R HA -0.159 4.181 4.340 -0.000 0.000 0.239 162 R C 2.242 178.539 176.300 -0.005 0.000 1.137 162 R CA 2.309 58.459 56.100 0.085 0.000 0.943 162 R CB -1.208 29.222 30.300 0.216 0.000 0.850 162 R HN 0.606 nan 8.270 nan 0.000 0.433 163 T N -2.001 112.481 114.554 -0.120 0.000 2.896 163 T HA 0.005 4.355 4.350 -0.000 0.000 0.263 163 T C 1.480 175.699 174.700 -0.802 0.000 1.050 163 T CA 0.841 62.640 62.100 -0.501 0.000 1.140 163 T CB -0.053 68.309 68.868 -0.843 0.000 0.877 163 T HN 0.155 nan 8.240 nan 0.000 0.457 164 F N 0.844 120.664 119.950 -0.216 0.000 2.724 164 F HA 0.531 5.058 4.527 -0.000 0.000 0.306 164 F C 1.981 177.701 175.800 -0.133 0.000 1.100 164 F CA -0.230 57.618 58.000 -0.254 0.000 1.255 164 F CB 0.246 39.127 39.000 -0.197 0.000 1.072 164 F HN 0.336 nan 8.300 nan 0.000 0.589 165 G N 1.125 109.983 108.800 0.098 0.000 2.168 165 G HA2 -0.322 3.638 3.960 -0.000 0.000 0.263 165 G HA3 -0.322 3.638 3.960 -0.000 0.000 0.263 165 G C 0.110 175.091 174.900 0.135 0.000 0.977 165 G CA 0.517 45.673 45.100 0.095 0.000 0.659 165 G HN 0.333 nan 8.290 nan 0.000 0.533 166 M N -0.307 119.395 119.600 0.170 0.000 2.414 166 M HA 0.329 4.809 4.480 -0.000 0.000 0.287 166 M C -1.299 175.038 176.300 0.062 0.000 1.181 166 M CA -0.767 54.626 55.300 0.155 0.000 0.933 166 M CB 1.845 34.541 32.600 0.158 0.000 1.732 166 M HN 0.115 nan 8.290 nan 0.000 0.486 167 D N 2.124 122.533 120.400 0.014 0.000 2.411 167 D HA 0.321 4.961 4.640 -0.000 0.000 0.251 167 D C -0.732 175.178 176.300 -0.650 0.000 1.201 167 D CA 1.150 54.987 54.000 -0.271 0.000 0.996 167 D CB 0.789 41.582 40.800 -0.012 0.000 1.101 167 D HN 0.517 nan 8.370 nan 0.000 0.504 168 E N -1.630 117.885 120.200 -1.142 0.000 8.367 168 E HA -0.144 4.206 4.350 -0.000 0.000 0.467 168 E C -2.440 173.512 176.600 -1.079 0.000 0.968 168 E CA -0.022 55.857 56.400 -0.869 0.000 1.684 168 E CB -1.632 27.873 29.700 -0.325 0.000 0.997 168 E HN 0.340 nan 8.360 nan 0.000 0.275 169 P HA -0.006 nan 4.420 nan 0.000 0.270 169 P C 1.065 178.152 177.300 -0.355 0.000 1.227 169 P CA 0.028 62.976 63.100 -0.253 0.000 0.788 169 P CB 0.287 31.740 31.700 -0.412 0.000 0.926 170 M N -0.747 118.717 119.600 -0.226 0.000 2.382 170 M HA 0.315 4.795 4.480 -0.000 0.000 0.247 170 M C 0.633 176.858 176.300 -0.124 0.000 1.104 170 M CA 0.524 55.651 55.300 -0.288 0.000 1.030 170 M CB -0.944 31.555 32.600 -0.168 0.000 1.424 170 M HN 0.207 nan 8.290 nan 0.000 0.486 171 G N 1.225 110.021 108.800 -0.006 0.000 2.671 171 G HA2 0.647 4.607 3.960 -0.000 0.000 0.275 171 G HA3 0.647 4.607 3.960 -0.000 0.000 0.275 171 G C -0.734 174.079 174.900 -0.144 0.000 1.368 171 G CA 0.059 45.184 45.100 0.041 0.000 1.044 171 G HN 0.734 nan 8.290 nan 0.000 0.543 172 C N -4.056 115.071 119.300 -0.289 0.000 3.306 172 C HA 0.482 4.942 4.460 -0.000 0.000 0.335 172 C C 0.959 175.703 174.990 -0.410 0.000 1.382 172 C CA -1.076 57.697 59.018 -0.408 0.000 1.254 172 C CB -0.210 27.116 27.740 -0.691 0.000 1.555 172 C HN 0.841 nan 8.230 nan 0.000 0.463 173 Y N 0.145 120.239 120.300 -0.344 0.000 2.365 173 Y HA -0.199 4.351 4.550 -0.000 0.000 0.287 173 Y C 1.842 177.740 175.900 -0.003 0.000 1.162 173 Y CA 1.558 59.583 58.100 -0.125 0.000 1.260 173 Y CB -0.249 38.289 38.460 0.130 0.000 0.976 173 Y HN 0.769 nan 8.280 nan 0.000 0.548 174 D N 0.207 120.632 120.400 0.043 0.000 2.315 174 D HA -0.166 4.474 4.640 -0.000 0.000 0.211 174 D C 1.435 177.826 176.300 0.153 0.000 0.977 174 D CA 1.267 55.315 54.000 0.080 0.000 0.894 174 D CB -0.193 40.550 40.800 -0.095 0.000 0.910 174 D HN 0.327 nan 8.370 nan 0.000 0.490 175 D N -0.704 119.712 120.400 0.028 0.000 2.183 175 D HA -0.107 4.533 4.640 -0.000 0.000 0.203 175 D C 1.703 177.980 176.300 -0.039 0.000 0.969 175 D CA 0.420 54.413 54.000 -0.013 0.000 0.842 175 D CB -0.267 40.445 40.800 -0.147 0.000 0.957 175 D HN 0.328 nan 8.370 nan 0.000 0.484 176 F N 1.192 121.194 119.950 0.086 0.000 2.192 176 F HA -0.184 4.343 4.527 -0.000 0.000 0.301 176 F C 2.232 178.148 175.800 0.194 0.000 1.079 176 F CA 0.965 59.078 58.000 0.189 0.000 1.303 176 F CB 0.024 39.058 39.000 0.058 0.000 1.024 176 F HN -0.098 nan 8.300 nan 0.000 0.494 177 E N -0.554 119.822 120.200 0.293 0.000 2.385 177 E HA 0.063 4.413 4.350 -0.000 0.000 0.194 177 E C 1.915 178.600 176.600 0.142 0.000 1.013 177 E CA 0.714 57.239 56.400 0.209 0.000 0.866 177 E CB -0.095 29.708 29.700 0.171 0.000 0.832 177 E HN 0.304 nan 8.360 nan 0.000 0.500 178 A N 0.609 123.487 122.820 0.096 0.000 2.063 178 A HA 0.483 4.803 4.320 -0.000 0.000 0.211 178 A C 1.400 178.956 177.584 -0.046 0.000 1.177 178 A CA 0.396 52.449 52.037 0.026 0.000 0.759 178 A CB -0.153 18.860 19.000 0.021 0.000 0.857 178 A HN 0.221 nan 8.150 nan 0.000 0.468 179 A N 0.140 122.877 122.820 -0.139 0.000 2.536 179 A HA 0.245 4.565 4.320 -0.000 0.000 0.234 179 A C 0.500 177.932 177.584 -0.255 0.000 1.076 179 A CA 0.721 52.547 52.037 -0.352 0.000 0.769 179 A CB 0.110 18.569 19.000 -0.902 0.000 1.020 179 A HN 0.312 nan 8.150 nan 0.000 0.508 180 D N -0.608 119.653 120.400 -0.232 0.000 2.449 180 D HA 0.443 5.083 4.640 -0.000 0.000 0.210 180 D C 0.050 176.294 176.300 -0.093 0.000 1.094 180 D CA 1.463 55.469 54.000 0.010 0.000 0.846 180 D CB 0.702 41.584 40.800 0.136 0.000 1.003 180 D HN 0.896 nan 8.370 nan 0.000 0.504 181 A N 0.162 122.680 122.820 -0.503 0.000 2.596 181 A HA 0.443 4.763 4.320 -0.000 0.000 0.305 181 A C -1.817 174.863 177.584 -1.507 0.000 1.032 181 A CA -0.724 50.886 52.037 -0.713 0.000 0.776 181 A CB -0.010 18.834 19.000 -0.259 0.000 1.253 181 A HN -0.059 nan 8.150 nan 0.000 0.402 182 F N 1.204 120.645 119.950 -0.849 0.000 2.420 182 F HA 0.611 5.138 4.527 -0.000 0.000 0.342 182 F C 0.336 175.812 175.800 -0.541 0.000 1.113 182 F CA -0.738 56.855 58.000 -0.677 0.000 1.059 182 F CB 2.183 41.026 39.000 -0.261 0.000 1.128 182 F HN 0.304 nan 8.300 nan 0.000 0.475 183 V N 5.072 124.823 119.914 -0.270 0.000 2.378 183 V HA 0.337 4.457 4.120 -0.000 0.000 0.288 183 V C -0.545 175.622 176.094 0.123 0.000 1.016 183 V CA -0.651 61.673 62.300 0.041 0.000 0.840 183 V CB 1.714 33.765 31.823 0.379 0.000 0.994 183 V HN 0.520 nan 8.190 nan 0.000 0.431 184 L N 5.528 126.773 121.223 0.036 0.000 2.287 184 L HA 0.420 4.760 4.340 -0.000 0.000 0.280 184 L C -0.569 176.287 176.870 -0.023 0.000 1.055 184 L CA 0.116 55.008 54.840 0.086 0.000 0.863 184 L CB 0.634 42.748 42.059 0.092 0.000 1.245 184 L HN 0.650 nan 8.230 nan 0.000 0.432 185 W N 4.901 126.233 121.300 0.052 0.000 1.564 185 W HA 0.399 5.059 4.660 -0.000 0.000 0.480 185 W C 1.442 177.864 176.519 -0.162 0.000 0.699 185 W CA 0.191 57.446 57.345 -0.150 0.000 1.985 185 W CB 0.139 29.222 29.460 -0.629 0.000 1.738 185 W HN 0.767 nan 8.180 nan 0.000 0.218 186 G N 1.060 109.953 108.800 0.155 0.000 2.143 186 G HA2 -0.288 3.672 3.960 -0.000 0.000 0.248 186 G HA3 -0.288 3.672 3.960 -0.000 0.000 0.248 186 G C 0.486 175.437 174.900 0.084 0.000 0.991 186 G CA 0.074 45.269 45.100 0.158 0.000 0.689 186 G HN 0.339 nan 8.290 nan 0.000 0.522 187 S N -0.751 114.980 115.700 0.052 0.000 2.652 187 S HA 0.573 5.043 4.470 -0.000 0.000 0.270 187 S C 0.692 175.194 174.600 -0.163 0.000 1.243 187 S CA -0.024 58.172 58.200 -0.007 0.000 0.999 187 S CB 1.047 64.251 63.200 0.006 0.000 0.973 187 S HN 0.476 nan 8.310 nan 0.000 0.544 188 N N 1.507 120.048 118.700 -0.266 0.000 2.672 188 N HA 0.183 4.923 4.740 -0.000 0.000 0.295 188 N C 0.953 176.159 175.510 -0.506 0.000 1.924 188 N CA -0.063 52.632 53.050 -0.590 0.000 0.851 188 N CB 0.005 38.177 38.487 -0.524 0.000 1.281 188 N HN 0.534 nan 8.380 nan 0.000 0.494 189 M N 0.015 119.308 119.600 -0.512 0.000 2.143 189 M HA -0.202 4.278 4.480 -0.000 0.000 0.258 189 M C 2.341 178.310 176.300 -0.552 0.000 1.071 189 M CA 1.789 56.873 55.300 -0.361 0.000 1.088 189 M CB -0.477 32.002 32.600 -0.202 0.000 1.360 189 M HN 0.433 nan 8.290 nan 0.000 0.404 190 A N 0.240 122.334 122.820 -1.210 0.000 1.971 190 A HA -0.222 4.098 4.320 -0.000 0.000 0.222 190 A C 1.933 179.280 177.584 -0.396 0.000 1.182 190 A CA 2.190 53.619 52.037 -1.014 0.000 0.649 190 A CB -0.553 17.847 19.000 -1.000 0.000 0.818 190 A HN 0.662 nan 8.150 nan 0.000 0.458 191 E N -2.333 117.655 120.200 -0.353 0.000 2.434 191 E HA 0.091 4.441 4.350 -0.000 0.000 0.207 191 E C 1.208 177.715 176.600 -0.155 0.000 0.929 191 E CA 0.195 56.470 56.400 -0.209 0.000 1.001 191 E CB 0.191 29.773 29.700 -0.196 0.000 1.016 191 E HN 0.518 nan 8.360 nan 0.000 0.502 192 M N -0.460 119.062 119.600 -0.130 0.000 2.461 192 M HA 0.183 4.663 4.480 -0.000 0.000 0.255 192 M C 0.093 176.306 176.300 -0.145 0.000 1.137 192 M CA 0.806 56.061 55.300 -0.075 0.000 1.086 192 M CB -0.298 32.321 32.600 0.032 0.000 1.356 192 M HN -0.022 nan 8.290 nan 0.000 0.487 193 H N -1.019 118.007 119.070 -0.074 0.000 2.597 193 H HA 0.274 4.830 4.556 -0.000 0.000 0.225 193 H C -2.014 173.274 175.328 -0.067 0.000 1.422 193 H CA -0.992 55.029 56.048 -0.044 0.000 1.335 193 H CB 0.457 30.211 29.762 -0.013 0.000 1.783 193 H HN -0.037 nan 8.280 nan 0.000 0.513 194 P HA -0.206 nan 4.420 nan 0.000 0.214 194 P C 1.404 178.698 177.300 -0.009 0.000 1.163 194 P CA 1.088 64.194 63.100 0.010 0.000 0.889 194 P CB 0.386 32.066 31.700 -0.033 0.000 0.790 195 I N -1.649 118.875 120.570 -0.077 0.000 2.614 195 I HA -0.124 4.046 4.170 -0.000 0.000 0.258 195 I C 2.161 178.121 176.117 -0.261 0.000 1.189 195 I CA 1.171 62.386 61.300 -0.143 0.000 1.462 195 I CB -1.381 36.537 38.000 -0.138 0.000 1.092 195 I HN 0.024 nan 8.210 nan 0.000 0.442 196 L N -1.280 119.774 121.223 -0.282 0.000 2.162 196 L HA -0.149 4.191 4.340 -0.000 0.000 0.205 196 L C 2.494 179.025 176.870 -0.566 0.000 1.086 196 L CA 0.970 55.434 54.840 -0.628 0.000 0.778 196 L CB -0.461 41.305 42.059 -0.488 0.000 0.928 196 L HN 0.428 nan 8.230 nan 0.000 0.446 197 W N 0.457 121.503 121.300 -0.423 0.000 2.402 197 W HA -0.228 4.432 4.660 -0.000 0.000 0.286 197 W C 2.615 178.926 176.519 -0.348 0.000 1.221 197 W CA 1.437 58.570 57.345 -0.354 0.000 1.257 197 W CB 0.173 29.497 29.460 -0.227 0.000 1.120 197 W HN 0.187 nan 8.180 nan 0.000 0.551 198 S N 0.679 116.245 115.700 -0.223 0.000 2.368 198 S HA -0.172 4.298 4.470 -0.000 0.000 0.224 198 S C 1.907 176.283 174.600 -0.372 0.000 1.029 198 S CA 1.099 59.133 58.200 -0.278 0.000 0.988 198 S CB -0.361 62.736 63.200 -0.172 0.000 0.838 198 S HN 0.286 nan 8.310 nan 0.000 0.462 199 R N -0.026 120.207 120.500 -0.444 0.000 2.092 199 R HA -0.023 4.317 4.340 -0.000 0.000 0.231 199 R C 2.286 178.312 176.300 -0.457 0.000 1.119 199 R CA 1.469 57.301 56.100 -0.447 0.000 0.970 199 R CB -0.363 29.575 30.300 -0.602 0.000 0.864 199 R HN 0.487 nan 8.270 nan 0.000 0.440 200 L N -0.037 120.784 121.223 -0.669 0.000 2.131 200 L HA -0.008 4.332 4.340 -0.000 0.000 0.206 200 L C 1.656 178.048 176.870 -0.795 0.000 1.087 200 L CA 1.951 56.320 54.840 -0.785 0.000 0.767 200 L CB -0.869 40.596 42.059 -0.989 0.000 0.917 200 L HN -0.050 nan 8.230 nan 0.000 0.441 201 T N -0.146 113.911 114.554 -0.828 0.000 2.821 201 T HA -0.166 4.184 4.350 -0.000 0.000 0.267 201 T C 1.531 175.986 174.700 -0.408 0.000 1.046 201 T CA 1.532 63.219 62.100 -0.687 0.000 1.139 201 T CB -0.335 68.120 68.868 -0.688 0.000 0.871 201 T HN 0.471 nan 8.240 nan 0.000 0.454 202 D N 0.930 121.131 120.400 -0.331 0.000 2.117 202 D HA -0.120 4.520 4.640 -0.000 0.000 0.197 202 D C 2.312 178.507 176.300 -0.176 0.000 0.987 202 D CA 1.076 54.945 54.000 -0.218 0.000 0.829 202 D CB -0.129 40.568 40.800 -0.172 0.000 0.961 202 D HN 0.130 nan 8.370 nan 0.000 0.460 203 R N 0.487 120.909 120.500 -0.131 0.000 2.073 203 R HA -0.092 4.248 4.340 -0.000 0.000 0.234 203 R C 2.273 178.560 176.300 -0.023 0.000 1.134 203 R CA 1.947 58.055 56.100 0.015 0.000 0.952 203 R CB -0.629 29.776 30.300 0.173 0.000 0.850 203 R HN 0.057 nan 8.270 nan 0.000 0.433 204 R N 0.027 120.453 120.500 -0.124 0.000 2.070 204 R HA -0.042 4.298 4.340 -0.000 0.000 0.233 204 R C 1.884 178.104 176.300 -0.134 0.000 1.137 204 R CA 1.767 57.792 56.100 -0.126 0.000 0.945 204 R CB -0.956 29.207 30.300 -0.229 0.000 0.845 204 R HN 0.325 nan 8.270 nan 0.000 0.430 205 L N 0.454 121.572 121.223 -0.174 0.000 2.217 205 L HA 0.061 4.401 4.340 -0.000 0.000 0.211 205 L C 2.191 178.964 176.870 -0.160 0.000 1.107 205 L CA 1.616 56.365 54.840 -0.151 0.000 0.783 205 L CB -0.615 41.348 42.059 -0.160 0.000 0.919 205 L HN 0.192 nan 8.230 nan 0.000 0.442 206 S N -1.997 113.568 115.700 -0.226 0.000 2.414 206 S HA 0.037 4.507 4.470 -0.000 0.000 0.227 206 S C 0.345 174.645 174.600 -0.500 0.000 1.022 206 S CA 0.511 58.490 58.200 -0.369 0.000 0.958 206 S CB -0.138 62.775 63.200 -0.478 0.000 0.797 206 S HN 0.383 nan 8.310 nan 0.000 0.493 207 H N 1.295 120.324 119.070 -0.069 0.000 2.866 207 H HA 0.303 4.859 4.556 -0.000 0.000 0.287 207 H C -0.017 175.231 175.328 -0.133 0.000 1.106 207 H CA -0.549 55.455 56.048 -0.073 0.000 1.396 207 H CB 0.781 30.484 29.762 -0.098 0.000 1.469 207 H HN 0.163 nan 8.280 nan 0.000 0.500 208 E N 1.187 121.410 120.200 0.038 0.000 2.510 208 E HA -0.135 4.215 4.350 -0.000 0.000 0.202 208 E C 1.692 178.319 176.600 0.045 0.000 1.072 208 E CA 0.423 56.834 56.400 0.018 0.000 0.883 208 E CB 0.000 29.719 29.700 0.031 0.000 0.818 208 E HN 0.731 nan 8.360 nan 0.000 0.548 209 H N -0.908 118.215 119.070 0.089 0.000 2.512 209 H HA 0.092 4.648 4.556 -0.000 0.000 0.279 209 H C 0.604 175.980 175.328 0.079 0.000 0.999 209 H CA 0.080 56.171 56.048 0.071 0.000 1.283 209 H CB 0.021 29.816 29.762 0.055 0.000 1.421 209 H HN -0.181 nan 8.280 nan 0.000 0.554 210 V N 3.134 122.765 119.914 -0.471 0.000 2.740 210 V HA 0.110 4.230 4.120 -0.000 0.000 0.303 210 V C 0.493 176.582 176.094 -0.009 0.000 1.054 210 V CA -0.082 62.060 62.300 -0.264 0.000 1.106 210 V CB 0.995 32.679 31.823 -0.232 0.000 0.957 210 V HN 0.369 nan 8.190 nan 0.000 0.486 211 R N 2.884 123.428 120.500 0.073 0.000 2.561 211 R HA 0.627 4.967 4.340 -0.000 0.000 0.297 211 R C -1.304 175.066 176.300 0.116 0.000 0.969 211 R CA -0.664 55.508 56.100 0.120 0.000 0.879 211 R CB 1.979 32.400 30.300 0.202 0.000 1.178 211 R HN 0.481 nan 8.270 nan 0.000 0.445 212 V N 1.806 121.782 119.914 0.104 0.000 2.435 212 V HA 0.708 4.828 4.120 -0.000 0.000 0.290 212 V C -0.135 176.034 176.094 0.125 0.000 1.030 212 V CA -0.829 61.532 62.300 0.102 0.000 0.881 212 V CB 1.725 33.567 31.823 0.031 0.000 0.983 212 V HN 0.860 nan 8.190 nan 0.000 0.445 213 A N 4.690 127.592 122.820 0.136 0.000 2.335 213 A HA 0.843 5.163 4.320 -0.000 0.000 0.304 213 A C -1.040 176.587 177.584 0.072 0.000 1.118 213 A CA -0.492 51.621 52.037 0.127 0.000 0.757 213 A CB 1.581 20.696 19.000 0.192 0.000 1.188 213 A HN 0.626 nan 8.150 nan 0.000 0.460 214 V N 3.488 123.439 119.914 0.061 0.000 2.495 214 V HA 0.500 4.620 4.120 -0.000 0.000 0.298 214 V C -0.685 175.408 176.094 -0.001 0.000 1.031 214 V CA -0.390 61.934 62.300 0.041 0.000 0.871 214 V CB 1.370 33.252 31.823 0.098 0.000 0.988 214 V HN 0.772 nan 8.190 nan 0.000 0.432 215 L N 3.780 124.984 121.223 -0.032 0.000 2.329 215 L HA 0.816 5.156 4.340 -0.000 0.000 0.279 215 L C 0.138 177.103 176.870 0.158 0.000 1.014 215 L CA 0.407 55.299 54.840 0.086 0.000 0.814 215 L CB 1.979 44.039 42.059 0.001 0.000 1.257 215 L HN 0.695 nan 8.230 nan 0.000 0.424 216 S N -0.493 115.212 115.700 0.009 0.000 2.588 216 S HA 0.376 4.846 4.470 -0.000 0.000 0.269 216 S C 0.512 174.614 174.600 -0.830 0.000 1.157 216 S CA -0.410 57.551 58.200 -0.398 0.000 0.824 216 S CB 1.866 64.657 63.200 -0.682 0.000 1.126 216 S HN 0.662 nan 8.310 nan 0.000 0.464 217 T N 1.615 115.668 114.554 -0.834 0.000 2.942 217 T HA 0.222 4.572 4.350 -0.000 0.000 0.265 217 T C 0.036 174.555 174.700 -0.302 0.000 1.062 217 T CA 1.319 63.033 62.100 -0.643 0.000 1.139 217 T CB -0.304 68.357 68.868 -0.345 0.000 0.883 217 T HN 0.522 nan 8.240 nan 0.000 0.468 218 F N -0.845 118.879 119.950 -0.376 0.000 2.650 218 F HA 0.650 5.177 4.527 -0.000 0.000 0.320 218 F C -0.590 174.936 175.800 -0.456 0.000 1.091 218 F CA -1.474 56.338 58.000 -0.313 0.000 0.962 218 F CB 0.711 39.566 39.000 -0.241 0.000 1.363 218 F HN -0.485 nan 8.300 nan 0.000 0.482 219 T N 1.751 116.269 114.554 -0.060 0.000 2.737 219 T HA 0.430 4.780 4.350 -0.000 0.000 0.296 219 T C -0.660 174.008 174.700 -0.054 0.000 0.922 219 T CA -0.115 61.883 62.100 -0.170 0.000 1.079 219 T CB -0.338 68.508 68.868 -0.038 0.000 0.892 219 T HN 0.779 nan 8.240 nan 0.000 0.514 220 H N 0.971 119.994 119.070 -0.078 0.000 2.927 220 H HA 0.567 5.123 4.556 -0.000 0.000 0.316 220 H C 1.015 176.274 175.328 -0.115 0.000 1.403 220 H CA -1.787 54.211 56.048 -0.084 0.000 1.288 220 H CB 0.431 30.103 29.762 -0.150 0.000 1.944 220 H HN 0.269 nan 8.280 nan 0.000 0.629 221 R N -0.277 120.240 120.500 0.028 0.000 2.211 221 R HA -0.090 4.250 4.340 -0.000 0.000 0.240 221 R C 1.465 177.684 176.300 -0.135 0.000 1.144 221 R CA 1.746 57.809 56.100 -0.062 0.000 0.992 221 R CB -0.158 30.070 30.300 -0.121 0.000 0.869 221 R HN 0.542 nan 8.270 nan 0.000 0.462 222 S N -0.147 115.342 115.700 -0.352 0.000 2.395 222 S HA -0.076 4.394 4.470 -0.000 0.000 0.225 222 S C 1.564 176.172 174.600 0.013 0.000 1.027 222 S CA 1.148 59.055 58.200 -0.487 0.000 0.965 222 S CB 0.165 62.783 63.200 -0.971 0.000 0.812 222 S HN 0.431 nan 8.310 nan 0.000 0.482 223 S N 1.209 117.020 115.700 0.185 0.000 2.906 223 S HA 0.109 4.579 4.470 -0.000 0.000 0.234 223 S C 0.394 175.064 174.600 0.117 0.000 0.973 223 S CA -0.033 58.247 58.200 0.133 0.000 1.036 223 S CB -0.225 63.002 63.200 0.045 0.000 0.798 223 S HN 0.180 nan 8.310 nan 0.000 0.498 224 D N 0.728 121.213 120.400 0.140 0.000 2.354 224 D HA 0.148 4.788 4.640 -0.000 0.000 0.209 224 D C 1.100 177.478 176.300 0.129 0.000 1.015 224 D CA 0.218 54.288 54.000 0.117 0.000 0.867 224 D CB 0.409 41.271 40.800 0.103 0.000 0.933 224 D HN 0.487 nan 8.370 nan 0.000 0.520 225 L N 0.050 121.392 121.223 0.198 0.000 2.766 225 L HA 0.231 4.571 4.340 -0.000 0.000 0.242 225 L C -0.041 176.877 176.870 0.082 0.000 1.136 225 L CA 0.161 55.070 54.840 0.115 0.000 0.933 225 L CB 0.452 42.564 42.059 0.088 0.000 1.241 225 L HN -0.313 nan 8.230 nan 0.000 0.522 226 S N -0.040 115.730 115.700 0.117 0.000 2.565 226 S HA 0.178 4.648 4.470 -0.000 0.000 0.276 226 S C 0.356 174.998 174.600 0.069 0.000 1.326 226 S CA -0.507 57.751 58.200 0.096 0.000 1.045 226 S CB 0.980 64.243 63.200 0.106 0.000 0.918 226 S HN 0.249 nan 8.310 nan 0.000 0.505 227 D N 1.091 121.534 120.400 0.072 0.000 2.338 227 D HA 0.046 4.686 4.640 -0.000 0.000 0.208 227 D C -0.104 176.242 176.300 0.075 0.000 0.997 227 D CA 0.860 54.901 54.000 0.069 0.000 0.880 227 D CB 0.372 41.218 40.800 0.077 0.000 0.980 227 D HN 0.433 nan 8.370 nan 0.000 0.509 228 T N 3.482 118.088 114.554 0.086 0.000 3.241 228 T HA 0.243 4.593 4.350 -0.000 0.000 0.387 228 T C -2.676 172.064 174.700 0.066 0.000 1.451 228 T CA -1.157 60.991 62.100 0.080 0.000 1.363 228 T CB 2.311 71.240 68.868 0.102 0.000 1.074 228 T HN -0.044 nan 8.240 nan 0.000 0.598 229 P HA 0.481 nan 4.420 nan 0.000 0.288 229 P C -0.746 176.576 177.300 0.038 0.000 1.363 229 P CA -0.406 62.719 63.100 0.042 0.000 0.837 229 P CB 0.672 32.395 31.700 0.038 0.000 0.981 230 I N 5.068 125.662 120.570 0.040 0.000 2.406 230 I HA 0.401 4.571 4.170 -0.000 0.000 0.290 230 I C 0.341 176.508 176.117 0.083 0.000 0.999 230 I CA -0.808 60.535 61.300 0.071 0.000 1.124 230 I CB 1.925 39.976 38.000 0.086 0.000 1.289 230 I HN 0.156 nan 8.210 nan 0.000 0.441 231 I N 7.315 127.921 120.570 0.060 0.000 2.390 231 I HA 0.314 4.484 4.170 -0.000 0.000 0.283 231 I C -0.291 175.843 176.117 0.029 0.000 1.016 231 I CA -0.507 60.769 61.300 -0.040 0.000 1.151 231 I CB 0.642 38.594 38.000 -0.079 0.000 1.293 231 I HN 0.417 nan 8.210 nan 0.000 0.458 232 F N 4.517 124.459 119.950 -0.014 0.000 2.452 232 F HA 0.709 5.236 4.527 -0.000 0.000 0.353 232 F C 0.276 176.073 175.800 -0.006 0.000 1.089 232 F CA -1.276 56.731 58.000 0.013 0.000 1.080 232 F CB 0.412 39.442 39.000 0.050 0.000 1.399 232 F HN 0.183 nan 8.300 nan 0.000 0.492 233 R N 0.724 121.353 120.500 0.216 0.000 2.410 233 R HA 0.403 4.743 4.340 -0.000 0.000 0.288 233 R C -2.680 173.625 176.300 0.009 0.000 1.051 233 R CA -1.881 54.249 56.100 0.050 0.000 1.021 233 R CB 0.729 31.119 30.300 0.150 0.000 1.032 233 R HN 0.345 nan 8.270 nan 0.000 0.481 234 P HA -0.043 nan 4.420 nan 0.000 0.258 234 P C 0.140 177.353 177.300 -0.146 0.000 1.172 234 P CA 1.448 64.247 63.100 -0.502 0.000 0.762 234 P CB 0.645 31.478 31.700 -1.444 0.000 0.764 235 G N 2.833 111.681 108.800 0.080 0.000 2.253 235 G HA2 -0.309 3.651 3.960 -0.000 0.000 0.251 235 G HA3 -0.309 3.651 3.960 -0.000 0.000 0.251 235 G C 0.978 176.166 174.900 0.480 0.000 0.998 235 G CA 0.527 45.748 45.100 0.203 0.000 0.621 235 G HN 0.593 nan 8.290 nan 0.000 0.524 236 T N 0.044 114.846 114.554 0.413 0.000 3.148 236 T HA 0.203 4.553 4.350 -0.000 0.000 0.253 236 T C 1.779 176.570 174.700 0.151 0.000 1.134 236 T CA 1.357 63.617 62.100 0.266 0.000 1.051 236 T CB -0.185 68.781 68.868 0.163 0.000 0.959 236 T HN 0.499 nan 8.240 nan 0.000 0.525 237 D N 2.008 122.500 120.400 0.152 0.000 2.178 237 D HA -0.168 4.472 4.640 -0.000 0.000 0.201 237 D C 2.082 178.398 176.300 0.027 0.000 0.980 237 D CA 0.813 54.774 54.000 -0.063 0.000 0.842 237 D CB -0.472 40.385 40.800 0.095 0.000 0.948 237 D HN 0.373 nan 8.370 nan 0.000 0.472 238 R N 0.526 121.089 120.500 0.105 0.000 2.096 238 R HA -0.105 4.235 4.340 -0.000 0.000 0.240 238 R C 2.493 178.722 176.300 -0.119 0.000 1.139 238 R CA 1.940 58.048 56.100 0.013 0.000 0.952 238 R CB -0.498 29.962 30.300 0.265 0.000 0.854 238 R HN 0.322 nan 8.270 nan 0.000 0.436 239 A N 1.137 123.895 122.820 -0.104 0.000 1.858 239 A HA -0.140 4.180 4.320 -0.000 0.000 0.216 239 A C 2.170 179.673 177.584 -0.135 0.000 1.190 239 A CA 1.313 53.184 52.037 -0.276 0.000 0.617 239 A CB -0.556 18.322 19.000 -0.204 0.000 0.827 239 A HN 0.208 nan 8.150 nan 0.000 0.443 240 I N -0.376 120.190 120.570 -0.007 0.000 2.151 240 I HA -0.312 3.858 4.170 -0.000 0.000 0.243 240 I C 2.441 178.642 176.117 0.140 0.000 1.080 240 I CA 1.430 62.814 61.300 0.140 0.000 1.339 240 I CB -0.664 37.448 38.000 0.186 0.000 1.039 240 I HN 0.280 nan 8.210 nan 0.000 0.409 241 L N 0.632 121.847 121.223 -0.013 0.000 2.043 241 L HA -0.264 4.076 4.340 -0.000 0.000 0.212 241 L C 2.181 178.953 176.870 -0.163 0.000 1.075 241 L CA 2.014 56.742 54.840 -0.187 0.000 0.752 241 L CB -0.757 41.050 42.059 -0.420 0.000 0.891 241 L HN 0.322 nan 8.230 nan 0.000 0.432 242 N N -1.694 116.888 118.700 -0.196 0.000 2.142 242 N HA -0.243 4.497 4.740 -0.000 0.000 0.186 242 N C 1.818 177.347 175.510 0.032 0.000 1.023 242 N CA 0.995 53.944 53.050 -0.169 0.000 0.852 242 N CB -0.214 37.985 38.487 -0.479 0.000 0.998 242 N HN 0.260 nan 8.380 nan 0.000 0.424 243 Y N 2.105 122.408 120.300 0.005 0.000 2.081 243 Y HA -0.228 4.321 4.550 -0.000 0.000 0.280 243 Y C 1.787 177.782 175.900 0.158 0.000 1.163 243 Y CA 1.419 59.594 58.100 0.124 0.000 1.135 243 Y CB -0.661 37.859 38.460 0.100 0.000 0.970 243 Y HN 0.044 nan 8.280 nan 0.000 0.498 244 I N 0.556 120.911 120.570 -0.358 0.000 2.264 244 I HA -0.348 3.822 4.170 -0.000 0.000 0.248 244 I C 2.743 178.728 176.117 -0.221 0.000 1.111 244 I CA 1.322 62.355 61.300 -0.445 0.000 1.382 244 I CB -0.890 36.953 38.000 -0.263 0.000 1.060 244 I HN 0.377 nan 8.210 nan 0.000 0.418 245 A N 0.333 123.092 122.820 -0.101 0.000 1.877 245 A HA -0.311 4.009 4.320 -0.000 0.000 0.216 245 A C 2.226 179.848 177.584 0.063 0.000 1.186 245 A CA 2.208 54.258 52.037 0.022 0.000 0.620 245 A CB -1.048 18.010 19.000 0.096 0.000 0.822 245 A HN 0.544 nan 8.150 nan 0.000 0.443 246 H N -1.250 117.807 119.070 -0.021 0.000 2.319 246 H HA -0.250 4.306 4.556 -0.000 0.000 0.299 246 H C 1.937 177.276 175.328 0.017 0.000 1.092 246 H CA 2.469 58.529 56.048 0.020 0.000 1.302 246 H CB -0.482 29.339 29.762 0.097 0.000 1.373 246 H HN 0.730 nan 8.280 nan 0.000 0.497 247 H N -0.669 118.277 119.070 -0.207 0.000 2.387 247 H HA -0.055 4.501 4.556 -0.000 0.000 0.299 247 H C 2.231 177.447 175.328 -0.187 0.000 1.090 247 H CA 1.841 57.738 56.048 -0.253 0.000 1.332 247 H CB -0.144 29.359 29.762 -0.432 0.000 1.386 247 H HN 0.419 nan 8.280 nan 0.000 0.516 248 I N 0.092 120.658 120.570 -0.007 0.000 2.226 248 I HA -0.258 3.912 4.170 -0.000 0.000 0.245 248 I C 1.900 177.999 176.117 -0.029 0.000 1.100 248 I CA 0.774 62.075 61.300 0.002 0.000 1.374 248 I CB -0.127 37.884 38.000 0.017 0.000 1.057 248 I HN 0.361 nan 8.210 nan 0.000 0.413 249 I N 0.211 120.767 120.570 -0.023 0.000 2.202 249 I HA -0.225 3.945 4.170 -0.000 0.000 0.242 249 I C 2.638 178.691 176.117 -0.106 0.000 1.091 249 I CA 1.473 62.780 61.300 0.013 0.000 1.368 249 I CB -1.074 36.974 38.000 0.080 0.000 1.058 249 I HN 0.187 nan 8.210 nan 0.000 0.410 250 S N 0.770 116.297 115.700 -0.290 0.000 2.382 250 S HA -0.138 4.332 4.470 -0.000 0.000 0.228 250 S C 1.735 176.204 174.600 -0.219 0.000 1.027 250 S CA 1.835 59.849 58.200 -0.311 0.000 0.991 250 S CB -0.463 62.447 63.200 -0.483 0.000 0.823 250 S HN 0.532 nan 8.310 nan 0.000 0.469 251 T N 0.607 115.007 114.554 -0.257 0.000 3.194 251 T HA 0.368 4.718 4.350 -0.000 0.000 0.251 251 T C 1.223 175.868 174.700 -0.093 0.000 1.132 251 T CA 0.446 62.430 62.100 -0.193 0.000 1.028 251 T CB -0.194 68.516 68.868 -0.263 0.000 0.976 251 T HN 0.553 nan 8.240 nan 0.000 0.535 252 G N 2.583 111.345 108.800 -0.063 0.000 2.338 252 G HA2 -0.305 3.655 3.960 -0.000 0.000 0.296 252 G HA3 -0.305 3.655 3.960 -0.000 0.000 0.296 252 G C 0.317 175.222 174.900 0.008 0.000 1.040 252 G CA -0.280 44.816 45.100 -0.007 0.000 1.004 252 G HN 0.543 nan 8.290 nan 0.000 0.509 253 R N -0.637 119.868 120.500 0.008 0.000 2.816 253 R HA 0.339 4.678 4.340 -0.000 0.000 0.382 253 R C 0.584 176.903 176.300 0.031 0.000 1.140 253 R CA -0.410 55.699 56.100 0.015 0.000 1.050 253 R CB 0.939 31.241 30.300 0.003 0.000 1.396 253 R HN 0.274 nan 8.270 nan 0.000 0.583 254 V N 0.935 120.881 119.914 0.054 0.000 2.834 254 V HA 0.082 4.202 4.120 -0.000 0.000 0.301 254 V C 0.710 176.838 176.094 0.057 0.000 1.066 254 V CA -0.680 61.655 62.300 0.059 0.000 1.052 254 V CB 1.475 33.346 31.823 0.079 0.000 1.021 254 V HN 0.340 nan 8.190 nan 0.000 0.480 255 N N 2.429 121.167 118.700 0.064 0.000 2.767 255 N HA 0.198 4.938 4.740 -0.000 0.000 0.238 255 N C 1.100 176.691 175.510 0.134 0.000 1.083 255 N CA -0.225 52.881 53.050 0.094 0.000 0.964 255 N CB 0.472 39.010 38.487 0.085 0.000 1.252 255 N HN 0.542 nan 8.380 nan 0.000 0.512 256 R N 1.179 121.736 120.500 0.095 0.000 2.097 256 R HA -0.139 4.201 4.340 -0.000 0.000 0.236 256 R C 0.977 177.332 176.300 0.091 0.000 1.135 256 R CA 1.514 57.662 56.100 0.080 0.000 0.934 256 R CB 0.005 30.350 30.300 0.076 0.000 0.846 256 R HN 0.486 nan 8.270 nan 0.000 0.431 257 D N -0.292 120.169 120.400 0.101 0.000 2.203 257 D HA -0.205 4.435 4.640 -0.000 0.000 0.199 257 D C 1.552 177.922 176.300 0.117 0.000 0.997 257 D CA 1.193 55.245 54.000 0.087 0.000 0.863 257 D CB -0.101 40.757 40.800 0.096 0.000 0.928 257 D HN 0.144 nan 8.370 nan 0.000 0.458 258 F N 0.676 120.669 119.950 0.071 0.000 2.147 258 F HA -0.103 4.424 4.527 -0.000 0.000 0.291 258 F C 2.262 178.127 175.800 0.109 0.000 1.093 258 F CA 0.634 58.738 58.000 0.175 0.000 1.263 258 F CB -0.200 38.910 39.000 0.184 0.000 1.036 258 F HN -0.260 nan 8.300 nan 0.000 0.481 259 V N 0.516 120.569 119.914 0.233 0.000 2.343 259 V HA -0.285 3.835 4.120 -0.000 0.000 0.247 259 V C 1.968 178.038 176.094 -0.041 0.000 1.051 259 V CA 2.205 64.541 62.300 0.060 0.000 1.036 259 V CB -0.649 31.173 31.823 -0.001 0.000 0.654 259 V HN 0.309 nan 8.190 nan 0.000 0.451 260 D N -0.465 119.916 120.400 -0.032 0.000 2.117 260 D HA -0.130 4.510 4.640 -0.000 0.000 0.198 260 D C 2.363 178.587 176.300 -0.126 0.000 0.982 260 D CA 1.177 55.151 54.000 -0.043 0.000 0.828 260 D CB -0.165 40.625 40.800 -0.018 0.000 0.967 260 D HN 0.288 nan 8.370 nan 0.000 0.464 261 R N -0.451 119.899 120.500 -0.249 0.000 2.173 261 R HA -0.008 4.332 4.340 -0.000 0.000 0.208 261 R C 0.715 176.623 176.300 -0.653 0.000 1.035 261 R CA 0.685 56.502 56.100 -0.472 0.000 1.004 261 R CB 0.309 30.232 30.300 -0.629 0.000 0.917 261 R HN 0.263 nan 8.270 nan 0.000 0.462 262 H N -1.396 117.477 119.070 -0.327 0.000 2.767 262 H HA 0.287 4.843 4.556 -0.000 0.000 0.260 262 H C -0.478 174.703 175.328 -0.245 0.000 1.172 262 H CA -0.041 55.794 56.048 -0.355 0.000 1.048 262 H CB 1.281 30.595 29.762 -0.746 0.000 1.697 262 H HN -0.055 nan 8.280 nan 0.000 0.606 263 T N 0.938 115.403 114.554 -0.148 0.000 2.896 263 T HA 0.385 4.735 4.350 -0.000 0.000 0.297 263 T C -0.192 174.384 174.700 -0.206 0.000 1.108 263 T CA -0.726 61.238 62.100 -0.226 0.000 1.004 263 T CB 2.505 71.183 68.868 -0.317 0.000 1.159 263 T HN 0.145 nan 8.240 nan 0.000 0.499 264 N N 0.029 118.538 118.700 -0.319 0.000 2.509 264 N HA 0.723 5.463 4.740 -0.000 0.000 0.280 264 N C -1.529 173.758 175.510 -0.372 0.000 1.306 264 N CA -0.550 52.406 53.050 -0.157 0.000 0.782 264 N CB 1.492 39.912 38.487 -0.111 0.000 1.493 264 N HN 0.371 nan 8.380 nan 0.000 0.498 265 F N 0.220 120.086 119.950 -0.141 0.000 2.639 265 F HA 0.889 5.416 4.527 -0.000 0.000 0.339 265 F C 0.243 175.967 175.800 -0.127 0.000 1.071 265 F CA -0.574 57.323 58.000 -0.172 0.000 0.994 265 F CB 1.548 40.475 39.000 -0.121 0.000 1.341 265 F HN 0.533 nan 8.300 nan 0.000 0.498 266 A N 0.502 123.369 122.820 0.079 0.000 2.567 266 A HA 0.726 5.046 4.320 -0.000 0.000 0.291 266 A C -2.340 175.237 177.584 -0.013 0.000 1.048 266 A CA -0.697 51.340 52.037 -0.001 0.000 0.661 266 A CB 1.087 20.035 19.000 -0.087 0.000 1.288 266 A HN 0.644 nan 8.150 nan 0.000 0.424 267 L N 0.879 122.075 121.223 -0.045 0.000 2.362 267 L HA 0.701 5.041 4.340 -0.000 0.000 0.271 267 L C 0.711 177.497 176.870 -0.140 0.000 1.002 267 L CA -0.814 53.981 54.840 -0.076 0.000 0.818 267 L CB 2.205 44.242 42.059 -0.037 0.000 1.298 267 L HN 1.014 nan 8.230 nan 0.000 0.420 268 G N 1.068 109.724 108.800 -0.240 0.000 2.425 268 G HA2 0.574 4.534 3.960 -0.000 0.000 0.302 268 G HA3 0.574 4.534 3.960 -0.000 0.000 0.302 268 G C -0.228 174.592 174.900 -0.133 0.000 1.159 268 G CA -0.429 44.527 45.100 -0.240 0.000 0.865 268 G HN 0.741 nan 8.290 nan 0.000 0.515 269 A N 0.715 123.533 122.820 -0.004 0.000 2.520 269 A HA 0.428 4.748 4.320 -0.000 0.000 0.245 269 A C 1.579 179.244 177.584 0.135 0.000 1.072 269 A CA 0.685 52.755 52.037 0.054 0.000 0.761 269 A CB 0.143 19.189 19.000 0.076 0.000 1.004 269 A HN 1.196 nan 8.150 nan 0.000 0.499 270 T N -1.198 113.412 114.554 0.093 0.000 3.040 270 T HA 0.033 4.383 4.350 -0.000 0.000 0.252 270 T C 0.697 175.499 174.700 0.169 0.000 1.064 270 T CA 1.165 63.358 62.100 0.155 0.000 1.110 270 T CB -0.094 68.811 68.868 0.061 0.000 0.921 270 T HN 0.544 nan 8.240 nan 0.000 0.480 271 D N 0.657 121.110 120.400 0.088 0.000 2.722 271 D HA 0.324 4.964 4.640 -0.000 0.000 0.239 271 D C 0.142 176.434 176.300 -0.013 0.000 1.249 271 D CA -0.698 53.328 54.000 0.043 0.000 0.830 271 D CB -0.991 39.833 40.800 0.040 0.000 1.025 271 D HN 0.439 nan 8.370 nan 0.000 0.486 272 I N 0.141 120.697 120.570 -0.023 0.000 3.245 272 I HA 0.085 4.255 4.170 -0.000 0.000 0.290 272 I C 1.163 177.118 176.117 -0.270 0.000 1.269 272 I CA 0.771 61.998 61.300 -0.120 0.000 1.383 272 I CB 0.638 38.547 38.000 -0.151 0.000 1.337 272 I HN 0.257 nan 8.210 nan 0.000 0.599 273 G N 3.999 112.643 108.800 -0.261 0.000 3.003 273 G HA2 0.396 4.356 3.960 -0.000 0.000 0.293 273 G HA3 0.396 4.356 3.960 -0.000 0.000 0.293 273 G C -0.948 173.819 174.900 -0.221 0.000 1.553 273 G CA -0.494 44.432 45.100 -0.289 0.000 1.078 273 G HN 0.586 nan 8.290 nan 0.000 0.550 274 Y N 0.391 120.630 120.300 -0.102 0.000 3.093 274 Y HA -0.240 4.310 4.550 -0.000 0.000 0.232 274 Y C 1.906 177.738 175.900 -0.113 0.000 0.963 274 Y CA 0.617 58.647 58.100 -0.117 0.000 0.735 274 Y CB -0.973 37.416 38.460 -0.117 0.000 1.008 274 Y HN 0.785 nan 8.280 nan 0.000 0.396 275 G N 2.362 111.145 108.800 -0.028 0.000 2.246 275 G HA2 -0.066 3.894 3.960 -0.000 0.000 0.296 275 G HA3 -0.066 3.894 3.960 -0.000 0.000 0.296 275 G C 0.367 175.269 174.900 0.004 0.000 0.505 275 G CA 0.307 45.398 45.100 -0.016 0.000 1.301 275 G HN 0.605 nan 8.290 nan 0.000 0.412 276 L N -0.341 120.880 121.223 -0.002 0.000 2.793 276 L HA 0.614 4.954 4.340 -0.000 0.000 0.242 276 L C 1.275 178.166 176.870 0.035 0.000 1.315 276 L CA -1.329 53.495 54.840 -0.026 0.000 1.263 276 L CB 0.691 42.655 42.059 -0.158 0.000 2.076 276 L HN 0.122 nan 8.230 nan 0.000 0.575 277 R N 0.989 121.520 120.500 0.051 0.000 2.410 277 R HA 0.292 4.632 4.340 -0.000 0.000 0.288 277 R C -2.376 173.978 176.300 0.091 0.000 1.051 277 R CA -1.611 54.534 56.100 0.075 0.000 1.021 277 R CB 0.754 31.102 30.300 0.080 0.000 1.032 277 R HN 0.252 nan 8.270 nan 0.000 0.481 278 P HA 0.076 nan 4.420 nan 0.000 0.271 278 P C -0.648 176.695 177.300 0.072 0.000 1.220 278 P CA 0.281 63.423 63.100 0.071 0.000 0.768 278 P CB 1.233 32.965 31.700 0.054 0.000 0.848 279 E N -1.191 119.057 120.200 0.079 0.000 3.376 279 E HA -0.110 4.240 4.350 -0.000 0.000 0.142 279 E C 0.395 177.037 176.600 0.069 0.000 0.601 279 E CA -0.040 56.396 56.400 0.059 0.000 2.970 279 E CB -1.255 28.477 29.700 0.053 0.000 1.416 279 E HN 0.619 nan 8.360 nan 0.000 0.768 280 H N 2.779 121.862 119.070 0.020 0.000 2.815 280 H HA 0.103 4.659 4.556 -0.000 0.000 0.350 280 H C 1.014 176.354 175.328 0.021 0.000 1.080 280 H CA 1.160 57.218 56.048 0.017 0.000 1.433 280 H CB 0.949 30.722 29.762 0.019 0.000 1.432 280 H HN 0.263 nan 8.280 nan 0.000 0.592 281 Q N 3.836 123.570 119.800 -0.110 0.000 2.014 281 Q HA -0.190 4.150 4.340 -0.000 0.000 0.207 281 Q C 2.493 178.582 176.000 0.148 0.000 0.993 281 Q CA 1.696 57.504 55.803 0.008 0.000 0.850 281 Q CB -0.026 28.663 28.738 -0.081 0.000 0.916 281 Q HN 0.712 nan 8.270 nan 0.000 0.417 282 L N 0.778 122.179 121.223 0.296 0.000 2.211 282 L HA -0.287 4.053 4.340 -0.000 0.000 0.216 282 L C 2.536 179.540 176.870 0.223 0.000 1.092 282 L CA 1.327 56.325 54.840 0.264 0.000 0.767 282 L CB -0.481 41.739 42.059 0.267 0.000 0.894 282 L HN 0.320 nan 8.230 nan 0.000 0.437 283 Q N -0.637 119.278 119.800 0.192 0.000 2.204 283 Q HA -0.032 4.308 4.340 -0.000 0.000 0.198 283 Q C 2.424 178.478 176.000 0.089 0.000 0.946 283 Q CA 0.862 56.738 55.803 0.122 0.000 0.859 283 Q CB 0.053 28.856 28.738 0.109 0.000 0.946 283 Q HN 0.553 nan 8.270 nan 0.000 0.474 284 L N 0.431 121.706 121.223 0.087 0.000 2.017 284 L HA -0.149 4.191 4.340 -0.000 0.000 0.208 284 L C 2.518 179.422 176.870 0.057 0.000 1.073 284 L CA 1.216 56.091 54.840 0.060 0.000 0.745 284 L CB -0.750 41.337 42.059 0.047 0.000 0.894 284 L HN 0.137 nan 8.230 nan 0.000 0.432 285 A N 0.309 123.170 122.820 0.069 0.000 2.019 285 A HA -0.008 4.312 4.320 -0.000 0.000 0.219 285 A C 1.917 179.540 177.584 0.066 0.000 1.164 285 A CA 1.106 53.182 52.037 0.066 0.000 0.644 285 A CB -0.605 18.442 19.000 0.080 0.000 0.805 285 A HN 0.358 nan 8.150 nan 0.000 0.449 286 A N 0.815 123.678 122.820 0.070 0.000 2.863 286 A HA 0.254 4.573 4.320 -0.000 0.000 0.246 286 A C 0.291 177.894 177.584 0.032 0.000 1.772 286 A CA -0.229 51.836 52.037 0.047 0.000 1.456 286 A CB -1.098 17.923 19.000 0.035 0.000 0.930 286 A HN 0.493 nan 8.150 nan 0.000 0.630 287 K N 0.319 120.740 120.400 0.034 0.000 2.405 287 K HA 0.202 4.522 4.320 -0.000 0.000 0.273 287 K C 1.177 177.792 176.600 0.025 0.000 1.116 287 K CA 1.005 57.309 56.287 0.029 0.000 1.155 287 K CB -0.093 32.424 32.500 0.029 0.000 0.858 287 K HN 0.928 nan 8.250 nan 0.000 0.477 288 G N 1.669 110.482 108.800 0.022 0.000 2.168 288 G HA2 -0.254 3.706 3.960 -0.000 0.000 0.197 288 G HA3 -0.254 3.706 3.960 -0.000 0.000 0.197 288 G C 0.772 175.681 174.900 0.014 0.000 0.997 288 G CA -0.039 45.074 45.100 0.021 0.000 0.658 288 G HN 0.654 nan 8.290 nan 0.000 0.513 289 A N 0.192 123.017 122.820 0.009 0.000 2.119 289 A HA 0.602 4.922 4.320 -0.000 0.000 0.216 289 A C 2.585 180.175 177.584 0.009 0.000 1.152 289 A CA 1.914 53.949 52.037 -0.002 0.000 0.708 289 A CB -0.422 18.578 19.000 0.000 0.000 0.805 289 A HN 1.682 nan 8.150 nan 0.000 0.460 290 A N -0.593 122.238 122.820 0.018 0.000 2.015 290 A HA -0.067 4.253 4.320 -0.000 0.000 0.219 290 A C 1.806 179.403 177.584 0.023 0.000 1.163 290 A CA 1.687 53.737 52.037 0.023 0.000 0.646 290 A CB -0.188 18.827 19.000 0.025 0.000 0.806 290 A HN 0.493 nan 8.150 nan 0.000 0.448 291 D N -1.264 119.148 120.400 0.021 0.000 2.685 291 D HA 0.405 5.045 4.640 -0.000 0.000 0.257 291 D C 0.536 176.849 176.300 0.022 0.000 1.472 291 D CA 1.391 55.404 54.000 0.023 0.000 1.125 291 D CB 0.171 40.985 40.800 0.023 0.000 0.969 291 D HN 0.849 nan 8.370 nan 0.000 0.281 292 A N -1.214 121.624 122.820 0.031 0.000 2.109 292 A HA 0.299 4.619 4.320 -0.000 0.000 0.556 292 A C 0.908 178.521 177.584 0.049 0.000 0.434 292 A CA 1.424 53.485 52.037 0.040 0.000 0.334 292 A CB -1.805 17.194 19.000 -0.002 0.000 3.228 292 A HN 1.376 nan 8.150 nan 0.000 0.445 293 G N -0.168 108.685 108.800 0.087 0.000 2.134 293 G HA2 0.362 4.321 3.960 -0.000 0.000 0.209 293 G HA3 0.362 4.321 3.960 -0.000 0.000 0.209 293 G C 0.824 175.747 174.900 0.040 0.000 0.993 293 G CA 0.977 46.122 45.100 0.075 0.000 0.669 293 G HN 2.732 nan 8.290 nan 0.000 0.519 294 A N 0.092 122.932 122.820 0.033 0.000 2.363 294 A HA 0.799 5.119 4.320 -0.000 0.000 0.270 294 A C 1.254 178.830 177.584 -0.012 0.000 1.121 294 A CA 0.392 52.436 52.037 0.012 0.000 0.800 294 A CB 0.371 19.379 19.000 0.013 0.000 1.052 294 A HN 0.230 nan 8.150 nan 0.000 0.493 295 M N 1.095 120.682 119.600 -0.021 0.000 2.508 295 M HA 0.132 4.612 4.480 -0.000 0.000 0.238 295 M C 0.969 177.245 176.300 -0.040 0.000 1.210 295 M CA 2.132 57.404 55.300 -0.047 0.000 1.231 295 M CB -1.637 30.936 32.600 -0.045 0.000 1.201 295 M HN 1.368 nan 8.290 nan 0.000 0.491 296 T N 0.138 114.678 114.554 -0.024 0.000 1.309 296 T HA -0.059 4.291 4.350 -0.000 0.000 0.685 296 T C -2.737 171.956 174.700 -0.012 0.000 0.967 296 T CA -0.573 61.518 62.100 -0.015 0.000 3.630 296 T CB -1.823 67.038 68.868 -0.013 0.000 2.070 296 T HN 0.055 nan 8.240 nan 0.000 0.393 297 P HA 0.416 nan 4.420 nan 0.000 0.272 297 P C 0.857 178.173 177.300 0.027 0.000 1.243 297 P CA 0.163 63.270 63.100 0.013 0.000 0.803 297 P CB 0.519 32.227 31.700 0.013 0.000 0.974 298 T N -2.727 111.860 114.554 0.055 0.000 2.630 298 T HA 0.347 4.697 4.350 -0.000 0.000 0.225 298 T C -1.298 173.421 174.700 0.033 0.000 0.897 298 T CA -0.398 61.730 62.100 0.047 0.000 1.316 298 T CB 0.281 69.187 68.868 0.064 0.000 1.743 298 T HN 0.349 nan 8.240 nan 0.000 0.436 299 D N -0.712 119.682 120.400 -0.010 0.000 2.753 299 D HA 0.377 5.017 4.640 -0.000 0.000 0.224 299 D C -0.171 175.956 176.300 -0.289 0.000 1.213 299 D CA -0.564 53.381 54.000 -0.092 0.000 0.833 299 D CB 2.378 43.135 40.800 -0.071 0.000 1.607 299 D HN 0.291 nan 8.370 nan 0.000 0.463 300 F N 2.992 122.545 119.950 -0.661 0.000 2.126 300 F HA -0.145 4.382 4.527 -0.000 0.000 0.299 300 F C 1.818 177.360 175.800 -0.429 0.000 1.096 300 F CA 1.690 59.065 58.000 -1.042 0.000 1.255 300 F CB -0.090 38.535 39.000 -0.625 0.000 0.997 300 F HN 0.364 nan 8.300 nan 0.000 0.479 301 E N -0.113 119.870 120.200 -0.363 0.000 2.077 301 E HA -0.168 4.182 4.350 -0.000 0.000 0.193 301 E C 2.157 178.644 176.600 -0.188 0.000 0.989 301 E CA 1.892 58.066 56.400 -0.377 0.000 0.800 301 E CB -1.268 28.271 29.700 -0.268 0.000 0.746 301 E HN 0.398 nan 8.360 nan 0.000 0.452 302 T N 1.543 116.037 114.554 -0.101 0.000 2.777 302 T HA -0.108 4.242 4.350 -0.000 0.000 0.266 302 T C 1.583 176.297 174.700 0.023 0.000 1.040 302 T CA 1.077 63.154 62.100 -0.038 0.000 1.141 302 T CB -0.464 68.396 68.868 -0.014 0.000 0.868 302 T HN 0.144 nan 8.240 nan 0.000 0.444 303 F N 2.742 122.661 119.950 -0.052 0.000 2.026 303 F HA -0.071 4.456 4.527 -0.000 0.000 0.296 303 F C 2.564 178.406 175.800 0.070 0.000 1.133 303 F CA 1.259 59.291 58.000 0.053 0.000 1.188 303 F CB -1.024 38.089 39.000 0.187 0.000 0.968 303 F HN 0.152 nan 8.300 nan 0.000 0.476 304 A N 0.604 123.474 122.820 0.083 0.000 1.940 304 A HA -0.268 4.052 4.320 -0.000 0.000 0.221 304 A C 2.388 179.911 177.584 -0.102 0.000 1.190 304 A CA 2.656 54.678 52.037 -0.025 0.000 0.647 304 A CB -1.786 17.196 19.000 -0.030 0.000 0.821 304 A HN 0.672 nan 8.150 nan 0.000 0.457 305 A N -1.128 121.631 122.820 -0.103 0.000 2.014 305 A HA 0.104 4.424 4.320 -0.000 0.000 0.218 305 A C 2.086 179.605 177.584 -0.108 0.000 1.163 305 A CA 1.592 53.576 52.037 -0.089 0.000 0.652 305 A CB -0.455 18.494 19.000 -0.085 0.000 0.808 305 A HN 0.818 nan 8.150 nan 0.000 0.449 306 L N 0.063 121.202 121.223 -0.140 0.000 2.072 306 L HA -0.040 4.300 4.340 -0.000 0.000 0.205 306 L C 2.111 178.908 176.870 -0.121 0.000 1.079 306 L CA 1.966 56.726 54.840 -0.132 0.000 0.752 306 L CB -0.574 41.410 42.059 -0.126 0.000 0.906 306 L HN 0.120 nan 8.230 nan 0.000 0.436 307 V N -0.442 119.349 119.914 -0.204 0.000 2.913 307 V HA -0.138 3.982 4.120 -0.000 0.000 0.260 307 V C 2.425 178.525 176.094 0.010 0.000 1.098 307 V CA 1.363 63.619 62.300 -0.074 0.000 1.121 307 V CB -1.088 30.561 31.823 -0.291 0.000 0.714 307 V HN 0.504 nan 8.190 nan 0.000 0.487 308 S N 0.193 115.862 115.700 -0.052 0.000 2.402 308 S HA -0.233 4.237 4.470 -0.000 0.000 0.229 308 S C 1.936 176.340 174.600 -0.325 0.000 1.021 308 S CA 1.449 59.556 58.200 -0.155 0.000 0.974 308 S CB -0.250 62.928 63.200 -0.036 0.000 0.800 308 S HN 0.782 nan 8.310 nan 0.000 0.484 309 E N 0.586 120.600 120.200 -0.310 0.000 2.160 309 E HA -0.170 4.180 4.350 -0.000 0.000 0.195 309 E C -0.388 175.907 176.600 -0.509 0.000 0.991 309 E CA 0.810 56.951 56.400 -0.433 0.000 0.810 309 E CB -0.050 29.310 29.700 -0.566 0.000 0.742 309 E HN 0.604 nan 8.360 nan 0.000 0.466 310 Y N 1.789 121.991 120.300 -0.164 0.000 2.636 310 Y HA 0.159 4.709 4.550 -0.000 0.000 0.334 310 Y C 0.057 175.867 175.900 -0.150 0.000 1.286 310 Y CA -0.364 57.671 58.100 -0.109 0.000 1.688 310 Y CB -0.070 38.373 38.460 -0.027 0.000 1.662 310 Y HN -0.159 nan 8.280 nan 0.000 0.465 311 T N 1.406 115.888 114.554 -0.121 0.000 2.856 311 T HA -0.022 4.328 4.350 -0.000 0.000 0.306 311 T C 1.422 176.076 174.700 -0.076 0.000 1.062 311 T CA -0.664 61.369 62.100 -0.112 0.000 1.083 311 T CB 1.010 69.819 68.868 -0.099 0.000 0.984 311 T HN 0.554 nan 8.240 nan 0.000 0.542 312 L N 0.967 122.127 121.223 -0.105 0.000 2.079 312 L HA -0.073 4.267 4.340 -0.000 0.000 0.210 312 L C 2.169 178.865 176.870 -0.290 0.000 1.081 312 L CA 1.890 56.408 54.840 -0.538 0.000 0.752 312 L CB -0.878 40.985 42.059 -0.327 0.000 0.896 312 L HN 0.599 nan 8.230 nan 0.000 0.433 313 E N -0.181 119.940 120.200 -0.132 0.000 2.153 313 E HA -0.214 4.136 4.350 -0.000 0.000 0.194 313 E C 2.182 178.735 176.600 -0.078 0.000 0.988 313 E CA 1.400 57.750 56.400 -0.084 0.000 0.811 313 E CB -0.170 29.502 29.700 -0.046 0.000 0.746 313 E HN 0.560 nan 8.360 nan 0.000 0.466 314 K N -0.131 120.222 120.400 -0.078 0.000 2.067 314 K HA 0.075 4.395 4.320 -0.000 0.000 0.203 314 K C 2.060 178.642 176.600 -0.030 0.000 1.048 314 K CA 0.867 57.125 56.287 -0.049 0.000 0.954 314 K CB -0.086 32.382 32.500 -0.055 0.000 0.737 314 K HN 0.105 nan 8.250 nan 0.000 0.444 315 A N 1.410 124.208 122.820 -0.036 0.000 1.892 315 A HA -0.197 4.123 4.320 -0.000 0.000 0.218 315 A C 2.370 179.923 177.584 -0.053 0.000 1.188 315 A CA 2.190 54.214 52.037 -0.022 0.000 0.631 315 A CB -1.114 17.855 19.000 -0.051 0.000 0.822 315 A HN 0.485 nan 8.150 nan 0.000 0.447 316 A N 0.115 122.876 122.820 -0.099 0.000 1.892 316 A HA -0.225 4.095 4.320 -0.000 0.000 0.218 316 A C 1.983 179.555 177.584 -0.019 0.000 1.188 316 A CA 2.365 54.367 52.037 -0.058 0.000 0.631 316 A CB -0.657 18.297 19.000 -0.077 0.000 0.822 316 A HN 0.747 nan 8.150 nan 0.000 0.447 317 E N 0.609 120.794 120.200 -0.023 0.000 2.058 317 E HA -0.197 4.153 4.350 -0.000 0.000 0.194 317 E C 1.667 178.270 176.600 0.005 0.000 0.997 317 E CA 2.006 58.403 56.400 -0.005 0.000 0.801 317 E CB -0.539 29.155 29.700 -0.010 0.000 0.746 317 E HN 0.672 nan 8.360 nan 0.000 0.450 318 I N 0.711 121.272 120.570 -0.015 0.000 2.353 318 I HA -0.178 3.992 4.170 -0.000 0.000 0.248 318 I C 2.290 178.411 176.117 0.006 0.000 1.119 318 I CA 1.128 62.405 61.300 -0.039 0.000 1.417 318 I CB -0.460 37.444 38.000 -0.159 0.000 1.078 318 I HN 0.127 nan 8.210 nan 0.000 0.421 319 S N 0.794 116.512 115.700 0.031 0.000 2.336 319 S HA 0.185 4.655 4.470 -0.000 0.000 0.216 319 S C 1.771 176.442 174.600 0.117 0.000 1.032 319 S CA 0.754 59.019 58.200 0.107 0.000 0.973 319 S CB -0.362 62.912 63.200 0.124 0.000 0.888 319 S HN 0.604 nan 8.310 nan 0.000 0.455 320 G N 0.746 109.595 108.800 0.082 0.000 2.164 320 G HA2 -0.123 3.837 3.960 -0.000 0.000 0.154 320 G HA3 -0.123 3.837 3.960 -0.000 0.000 0.154 320 G C -0.062 174.879 174.900 0.069 0.000 1.014 320 G CA -0.280 44.864 45.100 0.074 0.000 0.683 320 G HN 1.021 nan 8.290 nan 0.000 0.500 321 V N -1.286 118.670 119.914 0.070 0.000 2.481 321 V HA 0.731 4.851 4.120 -0.000 0.000 0.286 321 V C 0.442 176.556 176.094 0.034 0.000 1.042 321 V CA -1.601 60.737 62.300 0.064 0.000 0.928 321 V CB 1.786 33.660 31.823 0.084 0.000 0.986 321 V HN 0.194 nan 8.190 nan 0.000 0.462 322 E N 5.822 126.041 120.200 0.032 0.000 2.415 322 E HA 0.100 4.450 4.350 -0.000 0.000 0.263 322 E C -1.418 175.187 176.600 0.009 0.000 0.995 322 E CA -1.355 55.057 56.400 0.020 0.000 0.915 322 E CB 1.231 30.947 29.700 0.026 0.000 0.951 322 E HN 0.575 nan 8.360 nan 0.000 0.449 323 P HA -0.250 nan 4.420 nan 0.000 0.217 323 P C 1.048 178.346 177.300 -0.002 0.000 1.148 323 P CA 1.575 64.653 63.100 -0.037 0.000 0.834 323 P CB 0.193 31.865 31.700 -0.046 0.000 0.783 324 A N -0.531 122.300 122.820 0.018 0.000 1.978 324 A HA -0.177 4.143 4.320 -0.000 0.000 0.220 324 A C 2.198 179.808 177.584 0.043 0.000 1.170 324 A CA 1.540 53.597 52.037 0.035 0.000 0.636 324 A CB -1.374 17.646 19.000 0.034 0.000 0.810 324 A HN 0.104 nan 8.150 nan 0.000 0.448 325 L N -1.260 119.988 121.223 0.042 0.000 2.072 325 L HA -0.023 4.317 4.340 -0.000 0.000 0.205 325 L C 2.192 179.102 176.870 0.067 0.000 1.079 325 L CA 1.155 56.026 54.840 0.052 0.000 0.752 325 L CB -0.936 41.154 42.059 0.052 0.000 0.906 325 L HN 0.247 nan 8.230 nan 0.000 0.436 326 L N -0.712 120.557 121.223 0.075 0.000 2.191 326 L HA -0.139 4.201 4.340 -0.000 0.000 0.212 326 L C 2.456 179.461 176.870 0.225 0.000 1.103 326 L CA 1.348 56.283 54.840 0.159 0.000 0.769 326 L CB -0.828 41.276 42.059 0.075 0.000 0.908 326 L HN 0.339 nan 8.230 nan 0.000 0.438 327 E N -0.605 119.669 120.200 0.123 0.000 2.158 327 E HA -0.162 4.187 4.350 -0.000 0.000 0.191 327 E C 1.944 178.538 176.600 -0.009 0.000 0.982 327 E CA 0.617 57.061 56.400 0.072 0.000 0.823 327 E CB 0.196 29.950 29.700 0.091 0.000 0.766 327 E HN 0.587 nan 8.360 nan 0.000 0.468 328 E N 0.495 120.709 120.200 0.023 0.000 2.072 328 E HA -0.163 4.187 4.350 -0.000 0.000 0.191 328 E C 2.108 178.693 176.600 -0.024 0.000 0.985 328 E CA 0.404 56.810 56.400 0.010 0.000 0.801 328 E CB 0.040 29.766 29.700 0.043 0.000 0.750 328 E HN 0.046 nan 8.360 nan 0.000 0.452 329 L N 1.125 122.356 121.223 0.013 0.000 1.937 329 L HA -0.195 4.145 4.340 -0.000 0.000 0.213 329 L C 2.331 179.145 176.870 -0.094 0.000 1.077 329 L CA 2.196 57.047 54.840 0.019 0.000 0.758 329 L CB -0.998 41.125 42.059 0.106 0.000 0.888 329 L HN 0.077 nan 8.230 nan 0.000 0.433 330 A N -0.804 121.945 122.820 -0.117 0.000 1.916 330 A HA -0.376 3.944 4.320 -0.000 0.000 0.224 330 A C 2.171 179.559 177.584 -0.326 0.000 1.366 330 A CA 2.491 54.319 52.037 -0.348 0.000 0.692 330 A CB -1.054 17.441 19.000 -0.842 0.000 0.841 330 A HN 0.637 nan 8.150 nan 0.000 0.480 331 E N -0.936 119.082 120.200 -0.304 0.000 2.085 331 E HA -0.175 4.175 4.350 -0.000 0.000 0.194 331 E C 2.038 178.478 176.600 -0.268 0.000 0.994 331 E CA 1.167 57.462 56.400 -0.177 0.000 0.801 331 E CB -0.444 29.206 29.700 -0.083 0.000 0.743 331 E HN 0.477 nan 8.360 nan 0.000 0.453 332 L N -0.013 120.938 121.223 -0.454 0.000 1.989 332 L HA -0.196 4.144 4.340 -0.000 0.000 0.211 332 L C 2.247 178.404 176.870 -1.188 0.000 1.071 332 L CA 1.596 55.895 54.840 -0.902 0.000 0.749 332 L CB -1.278 39.919 42.059 -1.436 0.000 0.890 332 L HN 0.229 nan 8.230 nan 0.000 0.431 333 Y N -1.269 118.288 120.300 -1.238 0.000 2.716 333 Y HA -0.165 4.385 4.550 -0.000 0.000 0.302 333 Y C 2.005 177.649 175.900 -0.428 0.000 1.160 333 Y CA 0.620 58.179 58.100 -0.902 0.000 1.362 333 Y CB -0.050 38.062 38.460 -0.579 0.000 0.988 333 Y HN 0.235 nan 8.280 nan 0.000 0.546 334 A N -0.700 121.996 122.820 -0.207 0.000 2.009 334 A HA 0.079 4.399 4.320 -0.000 0.000 0.197 334 A C 0.140 177.691 177.584 -0.055 0.000 1.471 334 A CA 0.083 52.074 52.037 -0.078 0.000 0.973 334 A CB -0.363 18.638 19.000 0.001 0.000 1.020 334 A HN 0.375 nan 8.150 nan 0.000 0.476 335 D N 1.966 122.326 120.400 -0.067 0.000 2.426 335 D HA 0.142 4.782 4.640 -0.000 0.000 0.261 335 D C -2.009 174.280 176.300 -0.017 0.000 1.245 335 D CA -0.969 53.016 54.000 -0.026 0.000 0.917 335 D CB 0.273 41.064 40.800 -0.015 0.000 1.123 335 D HN 0.217 nan 8.370 nan 0.000 0.508 336 P HA -0.073 nan 4.420 nan 0.000 0.301 336 P C -0.487 176.816 177.300 0.004 0.000 1.560 336 P CA 0.430 63.529 63.100 -0.001 0.000 0.784 336 P CB 0.354 32.055 31.700 0.002 0.000 1.715 337 D N -1.397 119.009 120.400 0.010 0.000 2.267 337 D HA 0.082 4.722 4.640 -0.000 0.000 0.297 337 D C 0.650 176.971 176.300 0.036 0.000 1.087 337 D CA -0.115 53.891 54.000 0.010 0.000 0.864 337 D CB 0.182 40.979 40.800 -0.005 0.000 1.557 337 D HN -0.015 nan 8.370 nan 0.000 0.523 338 R N 1.630 122.169 120.500 0.066 0.000 2.421 338 R HA 0.135 4.475 4.340 -0.000 0.000 0.305 338 R C -0.267 176.149 176.300 0.193 0.000 1.039 338 R CA 0.272 56.468 56.100 0.159 0.000 1.003 338 R CB 0.270 30.694 30.300 0.207 0.000 0.959 338 R HN -0.188 nan 8.270 nan 0.000 0.427 339 K N 4.654 125.142 120.400 0.147 0.000 2.292 339 K HA 0.009 4.329 4.320 -0.000 0.000 0.290 339 K C -0.431 176.255 176.600 0.142 0.000 1.083 339 K CA -0.104 56.246 56.287 0.105 0.000 0.918 339 K CB 0.673 33.173 32.500 -0.000 0.000 1.089 339 K HN 0.470 nan 8.250 nan 0.000 0.473 340 W N 4.413 125.666 121.300 -0.078 0.000 2.161 340 W HA 0.187 4.847 4.660 -0.000 0.000 0.344 340 W C -0.033 176.491 176.519 0.008 0.000 1.262 340 W CA -0.449 56.822 57.345 -0.123 0.000 1.270 340 W CB 1.279 30.595 29.460 -0.241 0.000 1.126 340 W HN 0.270 nan 8.180 nan 0.000 0.598 341 M N 4.473 123.739 119.600 -0.556 0.000 2.106 341 M HA 0.116 4.596 4.480 -0.000 0.000 0.241 341 M C -1.198 175.044 176.300 -0.097 0.000 0.946 341 M CA -0.050 55.100 55.300 -0.250 0.000 1.024 341 M CB 0.831 33.115 32.600 -0.527 0.000 2.191 341 M HN 0.147 nan 8.290 nan 0.000 0.429 342 S N 4.556 120.453 115.700 0.328 0.000 2.523 342 S HA 0.712 5.182 4.470 -0.000 0.000 0.275 342 S C -0.333 174.611 174.600 0.574 0.000 1.281 342 S CA -0.516 58.060 58.200 0.627 0.000 1.050 342 S CB 1.103 64.976 63.200 1.121 0.000 0.937 342 S HN 0.644 nan 8.310 nan 0.000 0.492 343 L N 2.984 124.542 121.223 0.558 0.000 2.386 343 L HA 0.803 5.143 4.340 -0.000 0.000 0.271 343 L C -0.991 176.166 176.870 0.478 0.000 0.993 343 L CA -0.527 54.533 54.840 0.367 0.000 0.819 343 L CB 1.544 43.762 42.059 0.265 0.000 1.294 343 L HN 0.939 nan 8.230 nan 0.000 0.414 344 W N 1.516 122.881 121.300 0.108 0.000 3.372 344 W HA 0.817 5.477 4.660 -0.000 0.000 0.315 344 W C -1.064 175.477 176.519 0.038 0.000 1.223 344 W CA -0.486 56.850 57.345 -0.015 0.000 1.202 344 W CB 0.835 30.172 29.460 -0.204 0.000 1.367 344 W HN 0.384 nan 8.180 nan 0.000 0.531 345 T N 1.629 116.301 114.554 0.197 0.000 2.412 345 T HA 0.166 4.516 4.350 -0.000 0.000 0.202 345 T C 1.398 176.274 174.700 0.293 0.000 0.848 345 T CA -0.556 61.654 62.100 0.184 0.000 1.196 345 T CB 0.028 68.987 68.868 0.150 0.000 2.323 345 T HN 0.478 nan 8.240 nan 0.000 0.482 346 M N 1.492 121.250 119.600 0.262 0.000 2.435 346 M HA 0.018 4.498 4.480 -0.000 0.000 0.262 346 M C 2.396 178.891 176.300 0.324 0.000 1.065 346 M CA 1.197 56.669 55.300 0.288 0.000 1.076 346 M CB -2.011 30.735 32.600 0.244 0.000 1.403 346 M HN 0.772 nan 8.290 nan 0.000 0.454 347 G N -0.228 108.755 108.800 0.304 0.000 2.469 347 G HA2 -0.226 3.734 3.960 -0.000 0.000 0.219 347 G HA3 -0.226 3.734 3.960 -0.000 0.000 0.219 347 G C 1.314 176.551 174.900 0.562 0.000 1.150 347 G CA 0.610 45.919 45.100 0.348 0.000 0.763 347 G HN 0.315 nan 8.290 nan 0.000 0.561 348 F N 0.980 121.138 119.950 0.347 0.000 2.317 348 F HA 0.174 4.701 4.527 -0.000 0.000 0.293 348 F C 2.376 178.316 175.800 0.234 0.000 1.085 348 F CA 0.348 58.496 58.000 0.246 0.000 1.390 348 F CB -0.715 38.330 39.000 0.075 0.000 1.077 348 F HN 0.072 nan 8.300 nan 0.000 0.517 349 N N 0.133 119.120 118.700 0.480 0.000 2.171 349 N HA -0.115 4.625 4.740 -0.000 0.000 0.184 349 N C 0.578 176.266 175.510 0.298 0.000 1.021 349 N CA 0.821 54.080 53.050 0.347 0.000 0.854 349 N CB -0.360 38.332 38.487 0.342 0.000 0.994 349 N HN 0.298 nan 8.380 nan 0.000 0.426 350 Q N 0.530 120.523 119.800 0.323 0.000 3.207 350 Q HA 0.103 4.443 4.340 -0.000 0.000 0.335 350 Q C -0.765 175.386 176.000 0.253 0.000 1.374 350 Q CA 0.015 55.986 55.803 0.281 0.000 1.023 350 Q CB 0.035 28.982 28.738 0.347 0.000 1.576 350 Q HN 0.300 nan 8.270 nan 0.000 0.515 351 H N 0.477 119.615 119.070 0.113 0.000 2.667 351 H HA 0.105 4.661 4.556 -0.000 0.000 0.353 351 H C 0.767 176.087 175.328 -0.013 0.000 1.072 351 H CA -0.667 55.427 56.048 0.076 0.000 1.214 351 H CB 1.874 31.694 29.762 0.096 0.000 1.600 351 H HN 0.191 nan 8.280 nan 0.000 0.527 352 V N 2.858 122.901 119.914 0.216 0.000 3.186 352 V HA 0.043 4.162 4.120 -0.000 0.000 0.270 352 V C 0.921 176.934 176.094 -0.134 0.000 1.149 352 V CA 1.179 63.515 62.300 0.059 0.000 1.160 352 V CB -0.486 31.423 31.823 0.145 0.000 0.758 352 V HN 0.446 nan 8.190 nan 0.000 0.516 353 R N 0.250 120.703 120.500 -0.078 0.000 2.698 353 R HA 0.372 4.712 4.340 -0.000 0.000 0.422 353 R C 1.524 177.514 176.300 -0.517 0.000 1.073 353 R CA 0.485 56.261 56.100 -0.540 0.000 1.054 353 R CB 0.534 30.495 30.300 -0.564 0.000 1.373 353 R HN 0.466 nan 8.270 nan 0.000 0.593 354 G N 0.228 108.862 108.800 -0.277 0.000 2.433 354 G HA2 -0.201 3.759 3.960 -0.000 0.000 0.216 354 G HA3 -0.201 3.759 3.960 -0.000 0.000 0.216 354 G C 1.298 176.078 174.900 -0.200 0.000 1.186 354 G CA 0.687 45.666 45.100 -0.202 0.000 0.779 354 G HN 0.146 nan 8.290 nan 0.000 0.543 355 V N -0.229 119.623 119.914 -0.103 0.000 2.380 355 V HA -0.201 3.919 4.120 -0.000 0.000 0.251 355 V C 2.587 178.782 176.094 0.168 0.000 1.063 355 V CA 1.809 64.120 62.300 0.018 0.000 1.055 355 V CB -0.574 31.306 31.823 0.094 0.000 0.657 355 V HN 0.513 nan 8.190 nan 0.000 0.455 356 W N 0.102 121.316 121.300 -0.143 0.000 2.379 356 W HA -0.053 4.607 4.660 -0.000 0.000 0.307 356 W C 2.730 179.027 176.519 -0.369 0.000 1.200 356 W CA 1.149 58.392 57.345 -0.169 0.000 1.297 356 W CB -1.547 27.780 29.460 -0.223 0.000 1.140 356 W HN 0.266 nan 8.180 nan 0.000 0.507 357 A N 0.634 123.220 122.820 -0.390 0.000 1.865 357 A HA -0.271 4.049 4.320 -0.000 0.000 0.217 357 A C 2.061 179.002 177.584 -1.071 0.000 1.191 357 A CA 2.054 53.508 52.037 -0.971 0.000 0.623 357 A CB -1.210 16.925 19.000 -1.443 0.000 0.826 357 A HN 0.374 nan 8.150 nan 0.000 0.444 358 N N -1.197 117.021 118.700 -0.804 0.000 2.036 358 N HA -0.225 4.515 4.740 -0.000 0.000 0.195 358 N C 1.734 176.891 175.510 -0.589 0.000 1.037 358 N CA 1.754 54.347 53.050 -0.762 0.000 0.855 358 N CB -0.519 37.763 38.487 -0.342 0.000 1.033 358 N HN 0.592 nan 8.380 nan 0.000 0.423 359 H N 1.142 120.065 119.070 -0.244 0.000 2.265 359 H HA -0.117 4.439 4.556 -0.000 0.000 0.293 359 H C 2.322 177.510 175.328 -0.235 0.000 1.089 359 H CA 1.458 57.435 56.048 -0.119 0.000 1.244 359 H CB -0.354 29.335 29.762 -0.121 0.000 1.355 359 H HN 0.309 nan 8.280 nan 0.000 0.485 360 M N 0.292 119.757 119.600 -0.226 0.000 2.195 360 M HA -0.154 4.326 4.480 -0.000 0.000 0.260 360 M C 2.501 178.557 176.300 -0.407 0.000 1.066 360 M CA 1.335 56.452 55.300 -0.305 0.000 1.089 360 M CB -0.304 32.058 32.600 -0.397 0.000 1.377 360 M HN 0.063 nan 8.290 nan 0.000 0.411 361 V N -1.711 117.822 119.914 -0.635 0.000 2.379 361 V HA -0.233 3.887 4.120 -0.000 0.000 0.245 361 V C 1.919 177.880 176.094 -0.222 0.000 1.044 361 V CA 1.571 63.511 62.300 -0.599 0.000 1.036 361 V CB -1.468 29.780 31.823 -0.957 0.000 0.664 361 V HN 0.358 nan 8.190 nan 0.000 0.453 362 Y N 1.372 121.601 120.300 -0.118 0.000 2.224 362 Y HA -0.161 4.389 4.550 -0.000 0.000 0.289 362 Y C 2.766 178.685 175.900 0.032 0.000 1.146 362 Y CA 1.407 59.543 58.100 0.061 0.000 1.182 362 Y CB -0.486 37.980 38.460 0.009 0.000 0.983 362 Y HN 0.280 nan 8.280 nan 0.000 0.524 363 N N 0.538 119.269 118.700 0.052 0.000 2.061 363 N HA -0.191 4.549 4.740 -0.000 0.000 0.193 363 N C 1.809 177.316 175.510 -0.004 0.000 1.030 363 N CA 1.476 54.508 53.050 -0.031 0.000 0.856 363 N CB -0.781 37.686 38.487 -0.033 0.000 1.023 363 N HN 0.336 nan 8.380 nan 0.000 0.424 364 L N 0.153 121.340 121.223 -0.059 0.000 2.042 364 L HA -0.203 4.137 4.340 -0.000 0.000 0.210 364 L C 2.257 179.082 176.870 -0.076 0.000 1.076 364 L CA 1.256 56.003 54.840 -0.155 0.000 0.749 364 L CB -0.623 41.151 42.059 -0.475 0.000 0.893 364 L HN 0.365 nan 8.230 nan 0.000 0.432 365 H N -0.081 119.062 119.070 0.122 0.000 2.333 365 H HA -0.033 4.523 4.556 -0.000 0.000 0.302 365 H C 2.458 177.843 175.328 0.095 0.000 1.075 365 H CA 1.310 57.471 56.048 0.189 0.000 1.348 365 H CB 0.037 29.986 29.762 0.312 0.000 1.393 365 H HN 0.299 nan 8.280 nan 0.000 0.509 366 L N 0.210 121.569 121.223 0.227 0.000 2.017 366 L HA -0.203 4.137 4.340 -0.000 0.000 0.208 366 L C 2.482 179.432 176.870 0.133 0.000 1.073 366 L CA 0.538 55.506 54.840 0.214 0.000 0.745 366 L CB -0.402 41.703 42.059 0.075 0.000 0.894 366 L HN 0.137 nan 8.230 nan 0.000 0.432 367 L N -0.120 121.125 121.223 0.038 0.000 2.079 367 L HA -0.194 4.145 4.340 -0.000 0.000 0.210 367 L C 2.666 179.552 176.870 0.027 0.000 1.081 367 L CA 2.419 57.277 54.840 0.029 0.000 0.752 367 L CB -1.262 40.821 42.059 0.040 0.000 0.896 367 L HN 0.493 nan 8.230 nan 0.000 0.433 368 T N -5.071 109.470 114.554 -0.020 0.000 3.044 368 T HA 0.334 4.684 4.350 -0.000 0.000 0.250 368 T C 1.407 176.003 174.700 -0.173 0.000 1.081 368 T CA 0.397 62.464 62.100 -0.055 0.000 1.040 368 T CB 0.178 69.022 68.868 -0.039 0.000 0.962 368 T HN 0.383 nan 8.240 nan 0.000 0.506 369 G N 2.000 110.548 108.800 -0.420 0.000 2.147 369 G HA2 -0.243 3.717 3.960 -0.000 0.000 0.244 369 G HA3 -0.243 3.717 3.960 -0.000 0.000 0.244 369 G C -0.056 174.527 174.900 -0.528 0.000 1.005 369 G CA -0.027 44.432 45.100 -1.069 0.000 0.713 369 G HN 0.594 nan 8.290 nan 0.000 0.515 370 K N 0.075 120.377 120.400 -0.164 0.000 2.229 370 K HA 0.658 4.978 4.320 -0.000 0.000 0.247 370 K C -0.142 176.618 176.600 0.267 0.000 1.117 370 K CA -0.209 56.131 56.287 0.089 0.000 1.036 370 K CB 0.763 33.383 32.500 0.200 0.000 1.654 370 K HN 0.495 nan 8.250 nan 0.000 0.405 371 I N -1.208 119.448 120.570 0.142 0.000 2.882 371 I HA 0.015 4.185 4.170 -0.000 0.000 0.298 371 I C -0.682 175.555 176.117 0.200 0.000 1.462 371 I CA -0.188 61.259 61.300 0.245 0.000 1.000 371 I CB 2.184 40.430 38.000 0.409 0.000 1.340 371 I HN 0.406 nan 8.210 nan 0.000 0.462 372 S N 2.596 118.429 115.700 0.221 0.000 3.533 372 S HA -0.180 4.290 4.470 -0.000 0.000 0.347 372 S C -0.395 174.197 174.600 -0.013 0.000 1.101 372 S CA 1.275 59.586 58.200 0.186 0.000 1.009 372 S CB -1.288 62.050 63.200 0.229 0.000 0.916 372 S HN 0.696 nan 8.310 nan 0.000 0.496 373 E N 0.347 120.437 120.200 -0.184 0.000 2.367 373 E HA 0.357 4.707 4.350 -0.000 0.000 0.273 373 E C -2.861 173.277 176.600 -0.770 0.000 0.903 373 E CA -2.613 53.494 56.400 -0.488 0.000 0.764 373 E CB 1.812 31.387 29.700 -0.209 0.000 1.252 373 E HN -0.046 nan 8.360 nan 0.000 0.446 374 P HA -0.017 nan 4.420 nan 0.000 0.266 374 P C 0.619 177.769 177.300 -0.249 0.000 1.215 374 P CA 0.994 63.636 63.100 -0.764 0.000 0.763 374 P CB 0.566 31.765 31.700 -0.833 0.000 0.806 375 G N 3.825 112.582 108.800 -0.073 0.000 2.336 375 G HA2 -0.250 3.710 3.960 -0.000 0.000 0.233 375 G HA3 -0.250 3.710 3.960 -0.000 0.000 0.233 375 G C 0.225 175.082 174.900 -0.072 0.000 1.053 375 G CA -0.270 44.777 45.100 -0.088 0.000 0.625 375 G HN 0.575 nan 8.290 nan 0.000 0.511 376 N N 1.070 119.754 118.700 -0.027 0.000 2.527 376 N HA 0.552 5.292 4.740 -0.000 0.000 0.236 376 N C -0.500 175.089 175.510 0.132 0.000 0.999 376 N CA 0.568 53.666 53.050 0.080 0.000 0.935 376 N CB 1.231 39.765 38.487 0.079 0.000 1.132 376 N HN 0.663 nan 8.380 nan 0.000 0.511 377 S N 2.171 117.961 115.700 0.150 0.000 2.548 377 S HA 0.422 4.892 4.470 -0.000 0.000 0.278 377 S C -3.267 171.331 174.600 -0.003 0.000 1.150 377 S CA -1.239 57.021 58.200 0.100 0.000 0.907 377 S CB 2.272 65.559 63.200 0.145 0.000 1.108 377 S HN 0.131 nan 8.310 nan 0.000 0.459 378 P HA 0.330 nan 4.420 nan 0.000 0.273 378 P C -1.256 176.146 177.300 0.170 0.000 1.531 378 P CA -0.169 62.962 63.100 0.052 0.000 1.027 378 P CB -0.325 31.385 31.700 0.017 0.000 1.387 379 F N 2.828 122.700 119.950 -0.130 0.000 2.411 379 F HA 0.292 4.819 4.527 -0.000 0.000 0.355 379 F C 0.828 176.115 175.800 -0.855 0.000 1.117 379 F CA -0.144 57.659 58.000 -0.328 0.000 1.139 379 F CB 1.117 39.984 39.000 -0.221 0.000 1.120 379 F HN 0.112 nan 8.300 nan 0.000 0.493 380 S N 7.095 122.016 115.700 -1.298 0.000 2.465 380 S HA 0.495 4.965 4.470 -0.000 0.000 0.279 380 S C -0.457 173.682 174.600 -0.769 0.000 1.201 380 S CA -0.737 56.637 58.200 -1.376 0.000 1.053 380 S CB 0.013 62.752 63.200 -0.768 0.000 0.953 380 S HN 0.617 nan 8.310 nan 0.000 0.488 381 L N 4.723 125.674 121.223 -0.453 0.000 2.349 381 L HA 0.364 4.704 4.340 -0.000 0.000 0.275 381 L C 0.676 177.552 176.870 0.009 0.000 1.115 381 L CA -0.367 54.409 54.840 -0.107 0.000 0.820 381 L CB 1.282 43.194 42.059 -0.245 0.000 1.135 381 L HN 0.567 nan 8.230 nan 0.000 0.445 382 T N 1.724 116.389 114.554 0.186 0.000 2.895 382 T HA 0.314 4.664 4.350 -0.000 0.000 0.283 382 T C 0.910 175.833 174.700 0.371 0.000 1.014 382 T CA -0.105 62.139 62.100 0.240 0.000 1.037 382 T CB 1.866 70.861 68.868 0.211 0.000 1.006 382 T HN 0.808 nan 8.240 nan 0.000 0.468 383 G N 1.472 110.461 108.800 0.316 0.000 2.551 383 G HA2 0.004 3.964 3.960 -0.000 0.000 0.214 383 G HA3 0.004 3.964 3.960 -0.000 0.000 0.214 383 G C 0.470 175.569 174.900 0.333 0.000 1.250 383 G CA 0.317 45.606 45.100 0.316 0.000 0.825 383 G HN 0.641 nan 8.290 nan 0.000 0.549 384 Q N 0.798 120.797 119.800 0.332 0.000 2.492 384 Q HA 0.132 4.472 4.340 -0.000 0.000 0.238 384 Q C -1.256 174.853 176.000 0.181 0.000 1.045 384 Q CA -1.187 54.839 55.803 0.371 0.000 0.934 384 Q CB 1.035 29.949 28.738 0.293 0.000 1.276 384 Q HN 0.147 nan 8.270 nan 0.000 0.521 385 P HA -0.173 nan 4.420 nan 0.000 0.216 385 P C 0.167 177.307 177.300 -0.268 0.000 1.150 385 P CA 1.831 64.780 63.100 -0.253 0.000 0.837 385 P CB 0.085 31.366 31.700 -0.697 0.000 0.786 386 F N -1.786 117.992 119.950 -0.286 0.000 2.677 386 F HA 0.757 5.284 4.527 -0.000 0.000 0.388 386 F C 1.758 177.599 175.800 0.068 0.000 1.400 386 F CA -0.194 57.771 58.000 -0.058 0.000 1.162 386 F CB -0.451 38.569 39.000 0.033 0.000 1.135 386 F HN 0.071 nan 8.300 nan 0.000 0.516 387 A N -1.049 121.835 122.820 0.107 0.000 2.015 387 A HA -0.022 4.298 4.320 -0.000 0.000 0.219 387 A C 2.167 179.875 177.584 0.208 0.000 1.163 387 A CA 2.086 54.220 52.037 0.161 0.000 0.646 387 A CB -1.120 17.997 19.000 0.196 0.000 0.806 387 A HN 0.680 nan 8.150 nan 0.000 0.448 388 C N -1.662 117.751 119.300 0.190 0.000 2.793 388 C HA 0.225 4.685 4.460 -0.000 0.000 0.285 388 C C 3.058 178.175 174.990 0.212 0.000 1.325 388 C CA 0.446 59.591 59.018 0.211 0.000 1.694 388 C CB -1.401 26.454 27.740 0.191 0.000 2.151 388 C HN 0.621 nan 8.230 nan 0.000 0.532 389 G N 0.153 109.067 108.800 0.190 0.000 2.507 389 G HA2 -0.201 3.759 3.960 -0.000 0.000 0.221 389 G HA3 -0.201 3.759 3.960 -0.000 0.000 0.221 389 G C 1.457 176.420 174.900 0.104 0.000 1.119 389 G CA 2.194 47.397 45.100 0.171 0.000 0.751 389 G HN 0.577 nan 8.290 nan 0.000 0.574 390 T N 0.255 114.872 114.554 0.106 0.000 3.571 390 T HA 0.444 4.794 4.350 -0.000 0.000 0.217 390 T C 2.725 177.489 174.700 0.107 0.000 0.925 390 T CA 0.843 62.979 62.100 0.060 0.000 1.376 390 T CB -0.743 68.194 68.868 0.115 0.000 1.375 390 T HN 0.273 nan 8.240 nan 0.000 0.404 391 A N 2.225 125.132 122.820 0.144 0.000 1.870 391 A HA -0.283 4.036 4.320 -0.000 0.000 0.219 391 A C 2.304 180.150 177.584 0.437 0.000 1.224 391 A CA 2.422 54.545 52.037 0.143 0.000 0.650 391 A CB -0.804 18.204 19.000 0.013 0.000 0.836 391 A HN 0.455 nan 8.150 nan 0.000 0.454 392 R N -0.855 119.924 120.500 0.465 0.000 2.064 392 R HA -0.090 4.250 4.340 -0.000 0.000 0.228 392 R C 2.359 178.778 176.300 0.198 0.000 1.144 392 R CA 1.670 57.999 56.100 0.383 0.000 0.932 392 R CB -0.458 30.009 30.300 0.277 0.000 0.833 392 R HN 0.724 nan 8.270 nan 0.000 0.429 393 E N 0.129 120.425 120.200 0.159 0.000 2.051 393 E HA -0.154 4.196 4.350 -0.000 0.000 0.192 393 E C 1.916 178.560 176.600 0.073 0.000 0.991 393 E CA 1.375 57.823 56.400 0.079 0.000 0.799 393 E CB 0.012 29.770 29.700 0.098 0.000 0.748 393 E HN 0.081 nan 8.360 nan 0.000 0.449 394 V N 0.053 119.987 119.914 0.032 0.000 3.041 394 V HA -0.001 4.119 4.120 -0.000 0.000 0.260 394 V C 1.009 177.120 176.094 0.028 0.000 1.105 394 V CA 0.897 63.166 62.300 -0.052 0.000 1.125 394 V CB -0.586 31.069 31.823 -0.281 0.000 0.730 394 V HN 0.511 nan 8.190 nan 0.000 0.479 395 G N 0.914 109.770 108.800 0.093 0.000 2.587 395 G HA2 -0.208 3.752 3.960 -0.000 0.000 0.274 395 G HA3 -0.208 3.752 3.960 -0.000 0.000 0.274 395 G C 0.147 175.149 174.900 0.170 0.000 1.046 395 G CA 0.279 45.459 45.100 0.133 0.000 1.308 395 G HN 0.347 nan 8.290 nan 0.000 0.529 396 T N 1.396 116.107 114.554 0.262 0.000 3.275 396 T HA 0.483 4.833 4.350 -0.000 0.000 0.265 396 T C -0.058 174.633 174.700 -0.015 0.000 0.978 396 T CA -0.015 62.146 62.100 0.102 0.000 0.923 396 T CB -0.170 68.742 68.868 0.072 0.000 1.126 396 T HN 0.390 nan 8.240 nan 0.000 0.538 397 F N 0.162 120.134 119.950 0.036 0.000 2.538 397 F HA 0.621 5.148 4.527 -0.000 0.000 0.325 397 F C 1.419 177.262 175.800 0.071 0.000 1.066 397 F CA -1.575 56.475 58.000 0.083 0.000 0.946 397 F CB 0.875 39.938 39.000 0.105 0.000 1.199 397 F HN 0.096 nan 8.300 nan 0.000 0.473 398 A N 1.003 124.037 122.820 0.357 0.000 1.985 398 A HA -0.260 4.060 4.320 -0.000 0.000 0.223 398 A C 1.685 179.398 177.584 0.215 0.000 1.189 398 A CA 2.516 54.719 52.037 0.275 0.000 0.658 398 A CB -1.225 17.979 19.000 0.340 0.000 0.820 398 A HN 0.859 nan 8.150 nan 0.000 0.464 399 H N -2.506 116.665 119.070 0.169 0.000 2.542 399 H HA 0.460 5.016 4.556 -0.000 0.000 0.283 399 H C 0.522 175.896 175.328 0.077 0.000 1.059 399 H CA -0.135 55.974 56.048 0.102 0.000 1.162 399 H CB -0.157 29.671 29.762 0.109 0.000 1.539 399 H HN 0.413 nan 8.280 nan 0.000 0.543 400 R N 0.509 120.788 120.500 -0.368 0.000 2.892 400 R HA 0.659 4.999 4.340 -0.000 0.000 0.265 400 R C -1.052 175.164 176.300 -0.140 0.000 1.025 400 R CA -0.759 55.133 56.100 -0.347 0.000 0.982 400 R CB 2.090 32.126 30.300 -0.440 0.000 1.185 400 R HN 0.121 nan 8.270 nan 0.000 0.484 401 L N 1.475 122.606 121.223 -0.153 0.000 2.277 401 L HA 0.575 4.915 4.340 -0.000 0.000 0.254 401 L C -2.258 174.478 176.870 -0.225 0.000 1.044 401 L CA -2.548 52.192 54.840 -0.167 0.000 0.842 401 L CB 2.538 44.482 42.059 -0.192 0.000 1.422 401 L HN 0.463 nan 8.230 nan 0.000 0.422 402 P HA -0.030 nan 4.420 nan 0.000 0.270 402 P C -0.452 176.641 177.300 -0.345 0.000 1.221 402 P CA 0.226 63.106 63.100 -0.366 0.000 0.788 402 P CB 0.326 31.503 31.700 -0.871 0.000 0.904 403 A N 1.882 124.467 122.820 -0.392 0.000 2.511 403 A HA -0.236 4.083 4.320 -0.000 0.000 0.297 403 A C 0.794 178.047 177.584 -0.552 0.000 1.476 403 A CA 1.194 52.812 52.037 -0.698 0.000 0.757 403 A CB -2.457 16.159 19.000 -0.640 0.000 1.072 403 A HN 0.692 nan 8.150 nan 0.000 0.413 404 D N -3.004 117.192 120.400 -0.341 0.000 3.046 404 D HA -0.206 4.434 4.640 -0.000 0.000 0.210 404 D C 0.311 176.496 176.300 -0.190 0.000 1.124 404 D CA 2.017 55.916 54.000 -0.168 0.000 0.986 404 D CB -1.498 39.288 40.800 -0.025 0.000 1.118 404 D HN 0.882 nan 8.370 nan 0.000 0.416 405 M N 0.312 119.719 119.600 -0.321 0.000 2.250 405 M HA 0.350 4.830 4.480 -0.000 0.000 0.344 405 M C 0.604 176.814 176.300 -0.150 0.000 1.150 405 M CA -0.337 54.677 55.300 -0.477 0.000 1.147 405 M CB 1.724 33.930 32.600 -0.657 0.000 1.498 405 M HN -0.303 nan 8.290 nan 0.000 0.461 406 V N 2.634 122.626 119.914 0.130 0.000 2.630 406 V HA 0.158 4.278 4.120 -0.000 0.000 0.305 406 V C 0.843 177.021 176.094 0.140 0.000 1.046 406 V CA -0.545 61.844 62.300 0.149 0.000 0.934 406 V CB 1.923 33.886 31.823 0.234 0.000 1.003 406 V HN 0.798 nan 8.190 nan 0.000 0.451 407 V N 2.713 122.662 119.914 0.059 0.000 2.667 407 V HA -0.165 3.955 4.120 -0.000 0.000 0.252 407 V C 2.240 178.355 176.094 0.035 0.000 1.065 407 V CA 2.457 64.766 62.300 0.014 0.000 1.083 407 V CB -0.219 31.578 31.823 -0.044 0.000 0.692 407 V HN 1.149 nan 8.190 nan 0.000 0.468 408 T N -0.282 114.317 114.554 0.075 0.000 2.614 408 T HA -0.145 4.205 4.350 -0.000 0.000 0.263 408 T C 1.153 175.868 174.700 0.025 0.000 1.055 408 T CA 0.965 63.104 62.100 0.065 0.000 1.162 408 T CB -0.405 68.515 68.868 0.087 0.000 0.863 408 T HN 0.466 nan 8.240 nan 0.000 0.414 409 N N 2.680 121.383 118.700 0.004 0.000 2.411 409 N HA -0.025 4.715 4.740 -0.000 0.000 0.265 409 N C -2.161 173.282 175.510 -0.111 0.000 1.266 409 N CA -1.236 51.739 53.050 -0.126 0.000 0.889 409 N CB 1.453 39.705 38.487 -0.391 0.000 1.069 409 N HN 0.054 nan 8.380 nan 0.000 0.476 410 P HA -0.029 nan 4.420 nan 0.000 0.222 410 P C 0.740 178.001 177.300 -0.066 0.000 1.153 410 P CA 0.882 63.946 63.100 -0.060 0.000 0.798 410 P CB 0.406 32.079 31.700 -0.046 0.000 0.796 411 E N -0.933 119.191 120.200 -0.126 0.000 2.072 411 E HA -0.176 4.174 4.350 -0.000 0.000 0.191 411 E C 1.912 178.517 176.600 0.008 0.000 0.985 411 E CA 1.167 57.513 56.400 -0.091 0.000 0.801 411 E CB -0.811 28.801 29.700 -0.146 0.000 0.750 411 E HN 0.444 nan 8.360 nan 0.000 0.452 412 H N 0.910 119.971 119.070 -0.014 0.000 2.299 412 H HA 0.033 4.588 4.556 -0.000 0.000 0.302 412 H C 2.225 177.543 175.328 -0.016 0.000 1.078 412 H CA 1.116 57.166 56.048 0.003 0.000 1.323 412 H CB -0.383 29.371 29.762 -0.013 0.000 1.381 412 H HN 0.057 nan 8.280 nan 0.000 0.498 413 R N 0.342 120.894 120.500 0.088 0.000 2.113 413 R HA -0.183 4.157 4.340 -0.000 0.000 0.244 413 R C 2.380 178.657 176.300 -0.039 0.000 1.142 413 R CA 1.466 57.559 56.100 -0.011 0.000 0.953 413 R CB -0.262 30.025 30.300 -0.022 0.000 0.860 413 R HN 0.325 nan 8.270 nan 0.000 0.438 414 A N -0.113 122.702 122.820 -0.009 0.000 1.858 414 A HA -0.248 4.072 4.320 -0.000 0.000 0.216 414 A C 1.933 179.514 177.584 -0.006 0.000 1.190 414 A CA 1.927 53.955 52.037 -0.016 0.000 0.617 414 A CB -0.925 18.072 19.000 -0.005 0.000 0.827 414 A HN 0.506 nan 8.150 nan 0.000 0.443 415 H N 0.289 119.303 119.070 -0.093 0.000 2.353 415 H HA -0.079 4.477 4.556 -0.000 0.000 0.298 415 H C 2.150 177.326 175.328 -0.253 0.000 1.103 415 H CA 1.960 57.917 56.048 -0.151 0.000 1.293 415 H CB -0.411 29.279 29.762 -0.120 0.000 1.372 415 H HN 0.390 nan 8.280 nan 0.000 0.501 416 A N 0.492 123.151 122.820 -0.269 0.000 1.898 416 A HA -0.149 4.171 4.320 -0.000 0.000 0.216 416 A C 2.317 179.595 177.584 -0.510 0.000 1.181 416 A CA 1.636 53.360 52.037 -0.521 0.000 0.620 416 A CB -0.414 18.216 19.000 -0.616 0.000 0.819 416 A HN 0.653 nan 8.150 nan 0.000 0.442 417 E N -0.168 119.881 120.200 -0.252 0.000 2.110 417 E HA -0.172 4.178 4.350 -0.000 0.000 0.193 417 E C 1.940 178.492 176.600 -0.080 0.000 0.988 417 E CA 1.155 57.489 56.400 -0.110 0.000 0.804 417 E CB -0.116 29.531 29.700 -0.088 0.000 0.745 417 E HN 0.595 nan 8.360 nan 0.000 0.458 418 E N 0.546 120.672 120.200 -0.124 0.000 2.110 418 E HA -0.158 4.192 4.350 -0.000 0.000 0.193 418 E C 2.192 178.719 176.600 -0.122 0.000 0.988 418 E CA 0.841 57.186 56.400 -0.092 0.000 0.804 418 E CB -0.106 29.552 29.700 -0.069 0.000 0.745 418 E HN 0.383 nan 8.360 nan 0.000 0.458 419 I N -0.406 120.000 120.570 -0.274 0.000 2.406 419 I HA -0.165 4.005 4.170 -0.000 0.000 0.249 419 I C 1.693 177.859 176.117 0.081 0.000 1.122 419 I CA 0.568 61.718 61.300 -0.250 0.000 1.431 419 I CB -0.147 37.437 38.000 -0.693 0.000 1.087 419 I HN 0.106 nan 8.210 nan 0.000 0.424 420 W N 1.944 123.222 121.300 -0.037 0.000 3.204 420 W HA 0.103 4.763 4.660 -0.000 0.000 0.249 420 W C 0.531 177.033 176.519 -0.030 0.000 1.322 420 W CA -0.462 56.875 57.345 -0.014 0.000 1.593 420 W CB -1.128 28.321 29.460 -0.019 0.000 1.122 420 W HN 0.075 nan 8.180 nan 0.000 0.710 421 K N 0.391 120.894 120.400 0.170 0.000 3.689 421 K HA -0.205 4.115 4.320 -0.000 0.000 0.276 421 K C -0.324 176.388 176.600 0.187 0.000 0.932 421 K CA 0.305 56.676 56.287 0.141 0.000 0.758 421 K CB -1.762 30.810 32.500 0.120 0.000 1.500 421 K HN 0.123 nan 8.250 nan 0.000 0.448 422 L N 0.707 121.994 121.223 0.107 0.000 2.301 422 L HA 0.599 4.939 4.340 -0.000 0.000 0.264 422 L C -1.933 174.894 176.870 -0.072 0.000 1.016 422 L CA -2.465 52.350 54.840 -0.041 0.000 0.821 422 L CB 1.570 43.562 42.059 -0.112 0.000 1.346 422 L HN 0.025 nan 8.230 nan 0.000 0.429 423 P HA 0.144 nan 4.420 nan 0.000 0.276 423 P C -0.609 176.605 177.300 -0.144 0.000 1.230 423 P CA -0.307 62.728 63.100 -0.108 0.000 0.776 423 P CB 1.056 32.655 31.700 -0.169 0.000 0.888 424 A N 2.972 125.756 122.820 -0.060 0.000 2.587 424 A HA 0.340 4.660 4.320 -0.000 0.000 0.233 424 A C 1.567 179.097 177.584 -0.089 0.000 1.049 424 A CA 0.835 52.834 52.037 -0.063 0.000 0.754 424 A CB -1.329 17.655 19.000 -0.027 0.000 0.977 424 A HN 0.940 nan 8.150 nan 0.000 0.509 425 G N 0.529 109.278 108.800 -0.085 0.000 2.166 425 G HA2 -0.233 3.727 3.960 -0.000 0.000 0.260 425 G HA3 -0.233 3.727 3.960 -0.000 0.000 0.260 425 G C 0.629 175.450 174.900 -0.131 0.000 0.986 425 G CA 0.817 45.868 45.100 -0.081 0.000 0.683 425 G HN 1.453 nan 8.290 nan 0.000 0.527 426 L N -0.526 120.569 121.223 -0.214 0.000 2.049 426 L HA 0.482 4.822 4.340 -0.000 0.000 0.203 426 L C 1.518 178.240 176.870 -0.247 0.000 1.074 426 L CA 0.888 55.519 54.840 -0.348 0.000 0.749 426 L CB -0.396 41.291 42.059 -0.620 0.000 0.907 426 L HN 0.229 nan 8.230 nan 0.000 0.439 427 L N 1.397 122.517 121.223 -0.172 0.000 2.525 427 L HA 0.115 4.455 4.340 -0.000 0.000 0.278 427 L C -1.972 174.854 176.870 -0.074 0.000 1.218 427 L CA -0.866 53.914 54.840 -0.101 0.000 0.878 427 L CB -0.715 41.304 42.059 -0.066 0.000 1.127 427 L HN 0.102 nan 8.230 nan 0.000 0.492 428 P HA 0.121 nan 4.420 nan 0.000 0.271 428 P C -0.385 176.836 177.300 -0.132 0.000 1.218 428 P CA -0.192 62.863 63.100 -0.075 0.000 0.780 428 P CB 0.532 32.065 31.700 -0.278 0.000 0.901 429 D N 0.947 121.363 120.400 0.027 0.000 2.366 429 D HA 0.003 4.643 4.640 -0.000 0.000 0.205 429 D C 0.251 176.612 176.300 0.103 0.000 1.022 429 D CA 0.222 54.253 54.000 0.051 0.000 0.868 429 D CB -0.051 40.812 40.800 0.104 0.000 0.953 429 D HN 0.468 nan 8.370 nan 0.000 0.514 430 W N 2.275 123.614 121.300 0.065 0.000 2.218 430 W HA 0.458 5.118 4.660 -0.000 0.000 0.326 430 W C -0.377 176.207 176.519 0.108 0.000 1.276 430 W CA -1.150 56.243 57.345 0.080 0.000 1.210 430 W CB 0.269 29.773 29.460 0.073 0.000 1.143 430 W HN -0.418 nan 8.180 nan 0.000 0.563 431 V N 4.477 124.571 119.914 0.301 0.000 2.555 431 V HA 0.295 4.415 4.120 -0.000 0.000 0.286 431 V C 1.275 177.571 176.094 0.336 0.000 1.044 431 V CA 0.188 62.626 62.300 0.231 0.000 1.026 431 V CB 0.277 32.244 31.823 0.241 0.000 0.981 431 V HN 0.776 nan 8.190 nan 0.000 0.480 432 G N 3.128 112.062 108.800 0.223 0.000 2.611 432 G HA2 0.497 4.457 3.960 -0.000 0.000 0.273 432 G HA3 0.497 4.457 3.960 -0.000 0.000 0.273 432 G C 0.038 175.126 174.900 0.314 0.000 1.305 432 G CA -0.090 45.199 45.100 0.314 0.000 1.010 432 G HN 1.128 nan 8.290 nan 0.000 0.509 433 A N 0.128 123.120 122.820 0.286 0.000 2.354 433 A HA 0.553 4.873 4.320 -0.000 0.000 0.281 433 A C 0.355 178.037 177.584 0.162 0.000 1.174 433 A CA -0.511 51.616 52.037 0.150 0.000 0.828 433 A CB -0.445 18.626 19.000 0.118 0.000 1.099 433 A HN 0.962 nan 8.150 nan 0.000 0.516 434 H N 0.746 119.953 119.070 0.229 0.000 2.603 434 H HA 0.601 5.157 4.556 -0.000 0.000 0.370 434 H C 1.275 176.736 175.328 0.221 0.000 1.225 434 H CA -0.161 56.034 56.048 0.245 0.000 1.410 434 H CB 0.426 30.323 29.762 0.225 0.000 1.495 434 H HN 0.609 nan 8.280 nan 0.000 0.602 435 A N 1.749 124.820 122.820 0.419 0.000 1.893 435 A HA -0.294 4.026 4.320 -0.000 0.000 0.222 435 A C 2.472 180.172 177.584 0.193 0.000 1.309 435 A CA 2.998 55.206 52.037 0.286 0.000 0.681 435 A CB -1.449 17.722 19.000 0.284 0.000 0.842 435 A HN 0.595 nan 8.150 nan 0.000 0.468 436 V N -0.189 119.939 119.914 0.356 0.000 2.233 436 V HA -0.327 3.793 4.120 -0.000 0.000 0.247 436 V C 2.596 178.725 176.094 0.058 0.000 1.050 436 V CA 2.719 65.160 62.300 0.236 0.000 1.010 436 V CB -0.809 31.200 31.823 0.310 0.000 0.637 436 V HN 0.831 nan 8.190 nan 0.000 0.444 437 E N -0.441 119.650 120.200 -0.181 0.000 2.065 437 E HA -0.370 3.980 4.350 -0.000 0.000 0.201 437 E C 2.272 178.798 176.600 -0.125 0.000 1.016 437 E CA 2.266 58.487 56.400 -0.299 0.000 0.818 437 E CB -0.262 28.985 29.700 -0.755 0.000 0.749 437 E HN 0.646 nan 8.360 nan 0.000 0.453 438 Q N -0.064 119.685 119.800 -0.086 0.000 2.173 438 Q HA -0.238 4.101 4.340 -0.000 0.000 0.208 438 Q C 1.786 177.722 176.000 -0.107 0.000 0.989 438 Q CA 2.073 57.858 55.803 -0.029 0.000 0.872 438 Q CB 0.016 28.798 28.738 0.073 0.000 0.909 438 Q HN 0.411 nan 8.270 nan 0.000 0.420 439 D N -0.735 119.625 120.400 -0.067 0.000 2.097 439 D HA -0.119 4.521 4.640 -0.000 0.000 0.197 439 D C 1.962 178.255 176.300 -0.012 0.000 0.984 439 D CA 0.993 54.967 54.000 -0.042 0.000 0.826 439 D CB -0.012 40.791 40.800 0.004 0.000 0.973 439 D HN 0.282 nan 8.370 nan 0.000 0.460 440 R N 1.097 121.605 120.500 0.013 0.000 2.070 440 R HA -0.063 4.277 4.340 -0.000 0.000 0.232 440 R C 2.309 178.634 176.300 0.042 0.000 1.138 440 R CA 0.883 57.019 56.100 0.059 0.000 0.936 440 R CB -0.264 30.062 30.300 0.042 0.000 0.839 440 R HN 0.119 nan 8.270 nan 0.000 0.429 441 K N 0.460 120.856 120.400 -0.007 0.000 2.286 441 K HA -0.169 4.151 4.320 -0.000 0.000 0.203 441 K C 1.926 178.508 176.600 -0.029 0.000 1.045 441 K CA 0.885 57.163 56.287 -0.014 0.000 0.935 441 K CB -0.123 32.370 32.500 -0.011 0.000 0.737 441 K HN 0.034 nan 8.250 nan 0.000 0.460 442 L N 0.056 121.241 121.223 -0.064 0.000 2.131 442 L HA -0.101 4.239 4.340 -0.000 0.000 0.206 442 L C 2.255 179.130 176.870 0.008 0.000 1.087 442 L CA 1.706 56.475 54.840 -0.118 0.000 0.767 442 L CB -0.617 41.279 42.059 -0.272 0.000 0.917 442 L HN 0.208 nan 8.230 nan 0.000 0.441 443 H N -0.082 118.950 119.070 -0.063 0.000 2.353 443 H HA -0.128 4.428 4.556 -0.000 0.000 0.300 443 H C 1.596 176.905 175.328 -0.031 0.000 1.090 443 H CA 2.017 58.044 56.048 -0.035 0.000 1.327 443 H CB 0.020 29.773 29.762 -0.015 0.000 1.383 443 H HN 0.324 nan 8.280 nan 0.000 0.508 444 D N -1.205 119.208 120.400 0.022 0.000 2.162 444 D HA 0.063 4.703 4.640 -0.000 0.000 0.203 444 D C 1.482 177.762 176.300 -0.033 0.000 0.967 444 D CA 1.485 55.444 54.000 -0.068 0.000 0.840 444 D CB -0.086 40.680 40.800 -0.057 0.000 0.972 444 D HN 0.601 nan 8.370 nan 0.000 0.482 445 G N 0.480 109.273 108.800 -0.011 0.000 2.159 445 G HA2 -0.194 3.766 3.960 -0.000 0.000 0.170 445 G HA3 -0.194 3.766 3.960 -0.000 0.000 0.170 445 G C 0.807 175.706 174.900 -0.002 0.000 1.007 445 G CA 0.102 45.198 45.100 -0.006 0.000 0.672 445 G HN 0.270 nan 8.290 nan 0.000 0.507 446 E N -0.281 119.917 120.200 -0.004 0.000 2.122 446 E HA 0.122 4.472 4.350 -0.000 0.000 0.190 446 E C 1.074 177.689 176.600 0.026 0.000 0.977 446 E CA 0.537 56.939 56.400 0.004 0.000 0.820 446 E CB 0.564 30.264 29.700 0.000 0.000 0.770 446 E HN 0.614 nan 8.360 nan 0.000 0.462 447 I N 1.949 122.532 120.570 0.021 0.000 2.330 447 I HA 0.146 4.316 4.170 -0.000 0.000 0.289 447 I C 0.375 176.523 176.117 0.053 0.000 1.001 447 I CA -0.173 61.165 61.300 0.062 0.000 1.193 447 I CB 1.150 39.177 38.000 0.045 0.000 1.345 447 I HN -0.074 nan 8.210 nan 0.000 0.461 448 N N 4.392 123.170 118.700 0.130 0.000 2.227 448 N HA 0.155 4.895 4.740 -0.000 0.000 0.196 448 N C -0.447 175.223 175.510 0.266 0.000 1.142 448 N CA -0.094 53.044 53.050 0.147 0.000 0.887 448 N CB 0.769 39.332 38.487 0.127 0.000 1.022 448 N HN 0.411 nan 8.380 nan 0.000 0.500 449 F N 1.111 121.165 119.950 0.173 0.000 2.529 449 F HA 0.483 5.010 4.527 -0.000 0.000 0.320 449 F C -1.587 174.411 175.800 0.331 0.000 1.118 449 F CA -1.018 57.130 58.000 0.246 0.000 0.915 449 F CB 1.106 40.222 39.000 0.194 0.000 1.161 449 F HN -0.171 nan 8.300 nan 0.000 0.445 450 Y N 6.216 126.291 120.300 -0.375 0.000 2.386 450 Y HA 0.380 4.930 4.550 -0.000 0.000 0.334 450 Y C -2.099 173.691 175.900 -0.184 0.000 1.002 450 Y CA -1.492 56.514 58.100 -0.156 0.000 1.068 450 Y CB 1.208 39.537 38.460 -0.219 0.000 1.203 450 Y HN 0.668 nan 8.280 nan 0.000 0.443 451 W N 7.750 128.856 121.300 -0.323 0.000 2.362 451 W HA 0.666 5.326 4.660 -0.000 0.000 0.316 451 W C -1.687 174.688 176.519 -0.240 0.000 1.024 451 W CA -1.420 55.805 57.345 -0.200 0.000 1.270 451 W CB 1.181 30.687 29.460 0.077 0.000 1.273 451 W HN 0.292 nan 8.180 nan 0.000 0.424 452 V N 6.321 126.365 119.914 0.217 0.000 2.481 452 V HA 0.406 4.526 4.120 -0.000 0.000 0.286 452 V C -0.129 175.997 176.094 0.054 0.000 1.042 452 V CA -0.465 61.889 62.300 0.089 0.000 0.928 452 V CB 1.485 33.442 31.823 0.223 0.000 0.986 452 V HN 0.407 nan 8.190 nan 0.000 0.462 453 Q N 2.216 121.912 119.800 -0.173 0.000 2.289 453 Q HA 0.472 4.812 4.340 -0.000 0.000 0.270 453 Q C -0.543 175.207 176.000 -0.417 0.000 1.038 453 Q CA -0.732 54.914 55.803 -0.261 0.000 0.812 453 Q CB 2.446 31.005 28.738 -0.298 0.000 1.300 453 Q HN 0.624 nan 8.270 nan 0.000 0.427 454 V N 2.224 122.041 119.914 -0.162 0.000 5.616 454 V HA -0.338 3.782 4.120 -0.000 0.000 0.301 454 V C -0.352 175.693 176.094 -0.082 0.000 0.564 454 V CA 1.693 63.931 62.300 -0.103 0.000 0.653 454 V CB -2.522 29.203 31.823 -0.164 0.000 0.372 454 V HN 0.944 nan 8.190 nan 0.000 1.029 455 N N -0.977 117.726 118.700 0.005 0.000 2.823 455 N HA 0.287 5.027 4.740 -0.000 0.000 0.251 455 N C -0.850 174.771 175.510 0.185 0.000 1.392 455 N CA -0.761 52.346 53.050 0.095 0.000 0.864 455 N CB 2.019 40.514 38.487 0.012 0.000 1.481 455 N HN 0.094 nan 8.380 nan 0.000 0.508 456 N N 0.501 119.343 118.700 0.235 0.000 2.696 456 N HA 0.143 4.883 4.740 -0.000 0.000 0.308 456 N C -0.180 175.469 175.510 0.233 0.000 1.915 456 N CA -0.316 52.870 53.050 0.227 0.000 0.906 456 N CB -0.668 37.954 38.487 0.225 0.000 1.284 456 N HN 0.662 nan 8.380 nan 0.000 0.488 457 N N 0.302 119.168 118.700 0.277 0.000 2.348 457 N HA -0.136 4.604 4.740 -0.000 0.000 0.185 457 N C 1.250 176.804 175.510 0.073 0.000 1.019 457 N CA 0.548 53.757 53.050 0.265 0.000 0.880 457 N CB 0.217 38.934 38.487 0.385 0.000 0.965 457 N HN 0.302 nan 8.380 nan 0.000 0.437 458 M N 0.586 120.177 119.600 -0.015 0.000 2.549 458 M HA -0.073 4.407 4.480 -0.000 0.000 0.260 458 M C 1.612 177.892 176.300 -0.033 0.000 1.076 458 M CA 1.251 56.474 55.300 -0.128 0.000 1.090 458 M CB -0.304 32.208 32.600 -0.147 0.000 1.418 458 M HN 0.259 nan 8.290 nan 0.000 0.486 459 Q N -2.029 117.803 119.800 0.053 0.000 2.471 459 Q HA 0.173 4.513 4.340 -0.000 0.000 0.241 459 Q C 1.855 177.878 176.000 0.038 0.000 0.886 459 Q CA 0.604 56.469 55.803 0.103 0.000 0.953 459 Q CB 0.394 29.266 28.738 0.223 0.000 1.108 459 Q HN 0.433 nan 8.270 nan 0.000 0.575 460 A N 1.150 123.981 122.820 0.019 0.000 1.897 460 A HA 0.209 4.529 4.320 -0.000 0.000 0.215 460 A C 1.199 178.563 177.584 -0.365 0.000 1.181 460 A CA 0.901 52.725 52.037 -0.355 0.000 0.620 460 A CB -0.649 18.320 19.000 -0.052 0.000 0.821 460 A HN 0.385 nan 8.150 nan 0.000 0.443 461 A N 0.924 123.697 122.820 -0.078 0.000 2.483 461 A HA 0.477 4.797 4.320 -0.000 0.000 0.238 461 A C -2.162 175.400 177.584 -0.035 0.000 1.070 461 A CA -0.868 51.144 52.037 -0.042 0.000 0.770 461 A CB -0.298 18.742 19.000 0.067 0.000 1.008 461 A HN 0.366 nan 8.150 nan 0.000 0.497 462 P HA 0.104 nan 4.420 nan 0.000 0.278 462 P C -0.233 177.028 177.300 -0.065 0.000 1.238 462 P CA -0.228 62.832 63.100 -0.066 0.000 0.794 462 P CB 0.591 32.116 31.700 -0.291 0.000 0.955 463 N N 0.858 119.522 118.700 -0.060 0.000 2.721 463 N HA -0.174 4.566 4.740 -0.000 0.000 0.249 463 N C 1.175 176.661 175.510 -0.041 0.000 1.072 463 N CA 0.650 53.671 53.050 -0.049 0.000 0.710 463 N CB -1.324 37.135 38.487 -0.047 0.000 0.993 463 N HN 0.487 nan 8.380 nan 0.000 0.547 464 I N -2.697 117.845 120.570 -0.045 0.000 2.181 464 I HA -0.312 3.858 4.170 -0.000 0.000 0.247 464 I C 2.037 178.144 176.117 -0.017 0.000 1.081 464 I CA 1.931 63.206 61.300 -0.042 0.000 1.340 464 I CB -0.341 37.623 38.000 -0.060 0.000 1.036 464 I HN 0.034 nan 8.210 nan 0.000 0.417 465 D N 0.464 120.847 120.400 -0.028 0.000 2.144 465 D HA -0.212 4.428 4.640 -0.000 0.000 0.200 465 D C 2.236 178.536 176.300 -0.000 0.000 0.978 465 D CA 1.375 55.372 54.000 -0.005 0.000 0.833 465 D CB -0.028 40.756 40.800 -0.026 0.000 0.961 465 D HN 0.569 nan 8.370 nan 0.000 0.470 466 Q N -0.324 119.464 119.800 -0.020 0.000 1.994 466 Q HA -0.081 4.259 4.340 -0.000 0.000 0.198 466 Q C 1.322 177.249 176.000 -0.121 0.000 0.976 466 Q CA 1.436 57.227 55.803 -0.019 0.000 0.828 466 Q CB 0.183 28.927 28.738 0.010 0.000 0.894 466 Q HN 0.154 nan 8.270 nan 0.000 0.432 467 E N -2.038 118.088 120.200 -0.125 0.000 2.571 467 E HA 0.096 4.446 4.350 -0.000 0.000 0.222 467 E C 1.179 177.679 176.600 -0.168 0.000 0.904 467 E CA 0.378 56.646 56.400 -0.219 0.000 1.157 467 E CB 1.038 30.738 29.700 -0.000 0.000 1.158 467 E HN 0.212 nan 8.360 nan 0.000 0.540 468 T N -0.143 114.362 114.554 -0.081 0.000 2.983 468 T HA -0.061 4.289 4.350 -0.000 0.000 0.250 468 T C 1.345 176.040 174.700 -0.009 0.000 1.037 468 T CA 0.482 62.562 62.100 -0.033 0.000 1.142 468 T CB -0.249 68.578 68.868 -0.069 0.000 0.876 468 T HN 0.157 nan 8.240 nan 0.000 0.455 469 Y N 3.964 124.177 120.300 -0.145 0.000 2.114 469 Y HA -0.043 4.507 4.550 -0.000 0.000 0.284 469 Y C -0.791 175.084 175.900 -0.041 0.000 1.143 469 Y CA 0.909 58.947 58.100 -0.104 0.000 1.135 469 Y CB -1.266 37.139 38.460 -0.093 0.000 0.980 469 Y HN 0.130 nan 8.280 nan 0.000 0.499 470 P HA -0.111 nan 4.420 nan 0.000 0.218 470 P C 1.648 178.851 177.300 -0.161 0.000 1.149 470 P CA 2.201 65.134 63.100 -0.279 0.000 0.817 470 P CB -0.391 31.124 31.700 -0.309 0.000 0.785 471 G N -1.246 107.484 108.800 -0.117 0.000 2.422 471 G HA2 -0.242 3.718 3.960 -0.000 0.000 0.218 471 G HA3 -0.242 3.718 3.960 -0.000 0.000 0.218 471 G C 1.300 176.205 174.900 0.009 0.000 1.140 471 G CA 0.369 45.465 45.100 -0.006 0.000 0.775 471 G HN 0.183 nan 8.290 nan 0.000 0.545 472 Y N 0.534 120.733 120.300 -0.170 0.000 2.420 472 Y HA 0.167 4.717 4.550 -0.000 0.000 0.292 472 Y C 2.527 178.339 175.900 -0.148 0.000 1.119 472 Y CA 0.553 58.579 58.100 -0.124 0.000 1.229 472 Y CB 0.361 38.790 38.460 -0.052 0.000 1.026 472 Y HN 0.006 nan 8.280 nan 0.000 0.554 473 R N -0.033 120.404 120.500 -0.105 0.000 2.334 473 R HA 0.052 4.392 4.340 -0.000 0.000 0.216 473 R C -0.138 176.099 176.300 -0.105 0.000 0.905 473 R CA -0.132 55.871 56.100 -0.161 0.000 1.064 473 R CB -1.038 29.037 30.300 -0.375 0.000 1.046 473 R HN 0.342 nan 8.270 nan 0.000 0.508 474 N N 3.377 122.036 118.700 -0.068 0.000 2.429 474 N HA -0.018 4.722 4.740 -0.000 0.000 0.271 474 N C -1.695 173.802 175.510 -0.021 0.000 1.272 474 N CA -1.232 51.801 53.050 -0.028 0.000 0.921 474 N CB 1.085 39.572 38.487 -0.000 0.000 1.128 474 N HN -0.118 nan 8.380 nan 0.000 0.481 475 P HA -0.126 nan 4.420 nan 0.000 0.224 475 P C 0.346 177.648 177.300 0.003 0.000 1.142 475 P CA 1.022 64.103 63.100 -0.031 0.000 0.778 475 P CB 0.284 31.950 31.700 -0.057 0.000 0.764 476 E N -0.512 119.697 120.200 0.014 0.000 2.489 476 E HA 0.102 4.451 4.350 -0.000 0.000 0.193 476 E C 0.030 176.670 176.600 0.066 0.000 1.057 476 E CA 0.076 56.496 56.400 0.034 0.000 0.866 476 E CB -0.526 29.187 29.700 0.022 0.000 0.916 476 E HN 0.482 nan 8.360 nan 0.000 0.500 477 N N -0.320 118.420 118.700 0.066 0.000 2.370 477 N HA 0.338 5.078 4.740 -0.000 0.000 0.303 477 N C -1.220 174.393 175.510 0.171 0.000 1.103 477 N CA -0.618 52.484 53.050 0.087 0.000 0.848 477 N CB 1.424 39.905 38.487 -0.011 0.000 1.235 477 N HN -0.142 nan 8.380 nan 0.000 0.496 478 F N 2.178 122.124 119.950 -0.007 0.000 2.493 478 F HA 0.609 5.135 4.527 -0.000 0.000 0.329 478 F C -1.327 174.374 175.800 -0.166 0.000 1.126 478 F CA -0.760 57.217 58.000 -0.038 0.000 0.937 478 F CB 0.752 39.744 39.000 -0.012 0.000 1.146 478 F HN 0.308 nan 8.300 nan 0.000 0.442 479 I N 6.518 126.703 120.570 -0.642 0.000 2.447 479 I HA 0.425 4.595 4.170 -0.000 0.000 0.287 479 I C -1.123 174.640 176.117 -0.591 0.000 1.023 479 I CA -0.720 60.278 61.300 -0.504 0.000 1.083 479 I CB 1.940 39.771 38.000 -0.282 0.000 1.245 479 I HN 0.277 nan 8.210 nan 0.000 0.434 480 V N 6.787 126.406 119.914 -0.491 0.000 2.547 480 V HA 0.555 4.675 4.120 -0.000 0.000 0.299 480 V C -0.306 175.810 176.094 0.036 0.000 1.040 480 V CA -0.773 61.317 62.300 -0.351 0.000 0.913 480 V CB 1.967 33.397 31.823 -0.656 0.000 0.992 480 V HN 0.381 nan 8.190 nan 0.000 0.449 481 V N 3.112 123.099 119.914 0.122 0.000 2.462 481 V HA 0.345 4.465 4.120 -0.000 0.000 0.288 481 V C -0.068 176.185 176.094 0.266 0.000 1.020 481 V CA -0.263 62.180 62.300 0.238 0.000 0.857 481 V CB 2.005 33.944 31.823 0.193 0.000 1.013 481 V HN 0.929 nan 8.190 nan 0.000 0.431 482 S N 4.307 120.235 115.700 0.379 0.000 2.513 482 S HA 0.635 5.105 4.470 -0.000 0.000 0.276 482 S C -0.466 174.268 174.600 0.222 0.000 1.254 482 S CA -0.338 58.076 58.200 0.357 0.000 1.053 482 S CB 1.116 64.587 63.200 0.451 0.000 0.958 482 S HN 0.860 nan 8.310 nan 0.000 0.491 483 D N -0.065 120.441 120.400 0.176 0.000 2.713 483 D HA 0.492 5.132 4.640 -0.000 0.000 0.306 483 D C -0.511 175.827 176.300 0.063 0.000 1.299 483 D CA -0.490 53.584 54.000 0.124 0.000 0.823 483 D CB 1.528 42.399 40.800 0.120 0.000 1.353 483 D HN 0.464 nan 8.370 nan 0.000 0.447 484 A N 0.002 122.816 122.820 -0.011 0.000 2.358 484 A HA 0.364 4.684 4.320 -0.000 0.000 0.223 484 A C -0.492 176.846 177.584 -0.410 0.000 1.218 484 A CA 0.257 52.165 52.037 -0.215 0.000 0.942 484 A CB 0.314 19.127 19.000 -0.313 0.000 1.005 484 A HN 0.397 nan 8.150 nan 0.000 0.514 485 Y N -2.299 118.026 120.300 0.042 0.000 2.588 485 Y HA 0.379 4.929 4.550 -0.000 0.000 0.343 485 Y C -1.920 173.985 175.900 0.009 0.000 1.065 485 Y CA -2.172 55.941 58.100 0.021 0.000 1.038 485 Y CB 1.410 39.886 38.460 0.027 0.000 1.297 485 Y HN -0.081 nan 8.280 nan 0.000 0.467 486 P HA -0.235 nan 4.420 nan 0.000 0.216 486 P C -0.460 176.883 177.300 0.071 0.000 0.860 486 P CA 2.739 65.880 63.100 0.068 0.000 1.042 486 P CB -0.166 31.563 31.700 0.049 0.000 0.716 487 T N -3.762 110.839 114.554 0.077 0.000 0.542 487 T HA -0.136 4.214 4.350 -0.000 0.000 0.774 487 T C 0.586 175.327 174.700 0.068 0.000 0.992 487 T CA 0.221 62.372 62.100 0.085 0.000 4.076 487 T CB -0.759 68.181 68.868 0.120 0.000 2.303 487 T HN 0.065 nan 8.240 nan 0.000 0.398 488 V N 3.468 123.421 119.914 0.065 0.000 2.358 488 V HA -0.164 3.956 4.120 -0.000 0.000 0.246 488 V C 2.436 178.579 176.094 0.081 0.000 1.047 488 V CA 2.901 65.236 62.300 0.059 0.000 1.035 488 V CB -0.688 31.155 31.823 0.033 0.000 0.658 488 V HN 1.152 nan 8.190 nan 0.000 0.452 489 T N 0.347 114.954 114.554 0.088 0.000 2.699 489 T HA -0.170 4.180 4.350 -0.000 0.000 0.268 489 T C 1.697 176.499 174.700 0.169 0.000 1.036 489 T CA 1.728 63.893 62.100 0.108 0.000 1.147 489 T CB -0.888 68.071 68.868 0.152 0.000 0.862 489 T HN 0.684 nan 8.240 nan 0.000 0.446 490 G N 0.750 109.630 108.800 0.133 0.000 2.408 490 G HA2 -0.191 3.769 3.960 -0.000 0.000 0.217 490 G HA3 -0.191 3.769 3.960 -0.000 0.000 0.217 490 G C 1.581 176.552 174.900 0.119 0.000 1.150 490 G CA 0.424 45.585 45.100 0.101 0.000 0.776 490 G HN 0.388 nan 8.290 nan 0.000 0.542 491 R N 0.477 121.047 120.500 0.116 0.000 2.120 491 R HA 0.011 4.351 4.340 -0.000 0.000 0.234 491 R C 2.348 178.824 176.300 0.293 0.000 1.123 491 R CA 1.159 57.374 56.100 0.193 0.000 0.975 491 R CB -0.210 30.172 30.300 0.136 0.000 0.866 491 R HN 0.308 nan 8.270 nan 0.000 0.446 492 A N -0.353 122.616 122.820 0.248 0.000 2.327 492 A HA 0.401 4.721 4.320 -0.000 0.000 0.228 492 A C 0.377 178.146 177.584 0.308 0.000 1.275 492 A CA 0.350 52.553 52.037 0.278 0.000 0.875 492 A CB -0.033 19.121 19.000 0.257 0.000 0.925 492 A HN 0.396 nan 8.150 nan 0.000 0.493 493 A N -0.832 122.181 122.820 0.323 0.000 2.468 493 A HA 0.646 4.966 4.320 -0.000 0.000 0.277 493 A C 0.256 177.965 177.584 0.210 0.000 1.203 493 A CA -0.117 52.069 52.037 0.247 0.000 0.932 493 A CB 0.660 19.782 19.000 0.203 0.000 1.438 493 A HN 0.146 nan 8.150 nan 0.000 0.468 494 D N -1.690 118.710 120.400 -0.000 0.000 2.482 494 D HA 0.193 4.833 4.640 -0.000 0.000 0.251 494 D C -0.636 175.640 176.300 -0.040 0.000 1.073 494 D CA 0.502 54.461 54.000 -0.068 0.000 0.892 494 D CB 0.691 41.338 40.800 -0.255 0.000 1.202 494 D HN 0.190 nan 8.370 nan 0.000 0.496 495 L N 1.415 122.533 121.223 -0.174 0.000 2.409 495 L HA 0.430 4.770 4.340 -0.000 0.000 0.272 495 L C -1.561 175.294 176.870 -0.026 0.000 0.980 495 L CA -0.820 53.973 54.840 -0.079 0.000 0.826 495 L CB 2.273 44.185 42.059 -0.245 0.000 1.268 495 L HN -0.336 nan 8.230 nan 0.000 0.407 496 V N 6.549 126.473 119.914 0.017 0.000 2.350 496 V HA 0.467 4.587 4.120 -0.000 0.000 0.285 496 V C -0.203 175.862 176.094 -0.048 0.000 1.014 496 V CA -0.433 61.851 62.300 -0.027 0.000 0.831 496 V CB 1.553 33.290 31.823 -0.144 0.000 1.000 496 V HN 0.619 nan 8.190 nan 0.000 0.433 497 L N 8.245 129.499 121.223 0.052 0.000 2.289 497 L HA 0.517 4.857 4.340 -0.000 0.000 0.285 497 L C -2.179 174.788 176.870 0.161 0.000 1.049 497 L CA -1.820 53.062 54.840 0.069 0.000 0.804 497 L CB 1.854 44.126 42.059 0.354 0.000 1.195 497 L HN 0.382 nan 8.230 nan 0.000 0.428 498 P HA 0.182 nan 4.420 nan 0.000 0.276 498 P C -1.044 176.437 177.300 0.301 0.000 1.235 498 P CA -0.178 63.003 63.100 0.135 0.000 0.772 498 P CB 1.543 33.261 31.700 0.031 0.000 0.871 499 A N 3.316 126.253 122.820 0.194 0.000 2.355 499 A HA 0.701 5.021 4.320 -0.000 0.000 0.324 499 A C -0.170 177.482 177.584 0.112 0.000 1.117 499 A CA -0.852 51.314 52.037 0.214 0.000 0.785 499 A CB 1.252 20.383 19.000 0.218 0.000 1.254 499 A HN 0.558 nan 8.150 nan 0.000 0.453 500 A N 2.384 125.279 122.820 0.125 0.000 2.366 500 A HA 0.580 4.900 4.320 -0.000 0.000 0.272 500 A C 0.167 177.810 177.584 0.098 0.000 1.135 500 A CA -0.153 51.908 52.037 0.040 0.000 0.804 500 A CB 0.090 19.073 19.000 -0.029 0.000 1.064 500 A HN 1.001 nan 8.150 nan 0.000 0.499 501 M N 2.677 122.310 119.600 0.055 0.000 2.573 501 M HA 0.323 4.803 4.480 -0.000 0.000 0.309 501 M C 0.742 177.164 176.300 0.203 0.000 1.202 501 M CA -0.420 54.943 55.300 0.105 0.000 0.975 501 M CB 0.700 33.300 32.600 -0.000 0.000 1.600 501 M HN 1.019 nan 8.290 nan 0.000 0.479 502 W N 1.906 123.203 121.300 -0.004 0.000 2.464 502 W HA -0.381 4.279 4.660 -0.000 0.000 0.330 502 W C 0.895 177.460 176.519 0.078 0.000 1.543 502 W CA 2.820 60.120 57.345 -0.074 0.000 1.475 502 W CB -1.647 27.650 29.460 -0.272 0.000 0.908 502 W HN 0.427 nan 8.180 nan 0.000 0.500 503 V N 1.552 121.286 119.914 -0.300 0.000 3.630 503 V HA -0.052 4.068 4.120 -0.000 0.000 0.273 503 V C 1.482 177.536 176.094 -0.067 0.000 1.248 503 V CA 1.754 63.809 62.300 -0.408 0.000 1.170 503 V CB -0.522 30.726 31.823 -0.958 0.000 0.899 503 V HN 0.352 nan 8.190 nan 0.000 0.457 504 E N 1.008 121.211 120.200 0.006 0.000 2.489 504 E HA 0.069 4.419 4.350 -0.000 0.000 0.193 504 E C 0.671 177.270 176.600 -0.002 0.000 1.057 504 E CA 0.051 56.433 56.400 -0.030 0.000 0.866 504 E CB 0.298 29.959 29.700 -0.065 0.000 0.916 504 E HN 0.536 nan 8.360 nan 0.000 0.500 505 K N 1.120 121.605 120.400 0.142 0.000 2.523 505 K HA 0.247 4.567 4.320 -0.000 0.000 0.257 505 K C -1.278 175.423 176.600 0.169 0.000 0.932 505 K CA -0.688 55.723 56.287 0.207 0.000 0.812 505 K CB 1.975 34.642 32.500 0.278 0.000 1.326 505 K HN -0.114 nan 8.250 nan 0.000 0.433 506 E N 1.662 121.914 120.200 0.085 0.000 2.360 506 E HA 0.417 4.767 4.350 -0.000 0.000 0.269 506 E C -0.528 175.915 176.600 -0.262 0.000 1.022 506 E CA -0.183 56.158 56.400 -0.098 0.000 0.887 506 E CB 0.748 30.485 29.700 0.062 0.000 0.990 506 E HN 0.771 nan 8.360 nan 0.000 0.426 507 G N 1.716 109.832 108.800 -1.140 0.000 2.721 507 G HA2 0.710 4.670 3.960 -0.000 0.000 0.296 507 G HA3 0.710 4.670 3.960 -0.000 0.000 0.296 507 G C -1.698 171.981 174.900 -2.034 0.000 1.383 507 G CA -0.285 43.920 45.100 -1.492 0.000 0.788 507 G HN 0.721 nan 8.290 nan 0.000 0.500 508 A N -1.067 120.574 122.820 -1.964 0.000 2.549 508 A HA 0.834 5.154 4.320 -0.000 0.000 0.297 508 A C -2.088 175.194 177.584 -0.502 0.000 1.061 508 A CA -0.546 50.757 52.037 -1.223 0.000 0.690 508 A CB 1.625 19.578 19.000 -1.746 0.000 1.287 508 A HN 0.828 nan 8.150 nan 0.000 0.402 509 Y N -0.537 119.790 120.300 0.045 0.000 2.638 509 Y HA 0.735 5.285 4.550 -0.000 0.000 0.339 509 Y C 0.561 176.497 175.900 0.061 0.000 1.084 509 Y CA -1.141 57.055 58.100 0.160 0.000 1.068 509 Y CB 2.552 41.256 38.460 0.407 0.000 1.294 509 Y HN 1.052 nan 8.280 nan 0.000 0.480 510 G N 2.224 111.151 108.800 0.211 0.000 2.730 510 G HA2 0.371 4.331 3.960 -0.000 0.000 0.291 510 G HA3 0.371 4.331 3.960 -0.000 0.000 0.291 510 G C -0.872 174.074 174.900 0.076 0.000 1.456 510 G CA -0.816 44.329 45.100 0.075 0.000 0.996 510 G HN 0.578 nan 8.290 nan 0.000 0.528 511 N N 1.307 120.009 118.700 0.003 0.000 2.327 511 N HA 0.367 5.107 4.740 -0.000 0.000 0.257 511 N C 1.568 177.147 175.510 0.116 0.000 1.281 511 N CA 0.039 53.159 53.050 0.117 0.000 0.942 511 N CB 0.984 39.589 38.487 0.196 0.000 1.199 511 N HN 0.342 nan 8.380 nan 0.000 0.532 512 A N -0.560 122.400 122.820 0.233 0.000 2.131 512 A HA -0.202 4.118 4.320 -0.000 0.000 0.220 512 A C 1.263 178.932 177.584 0.143 0.000 1.158 512 A CA 1.724 53.902 52.037 0.235 0.000 0.665 512 A CB -0.953 18.316 19.000 0.448 0.000 0.795 512 A HN 0.879 nan 8.150 nan 0.000 0.460 513 E N -1.326 118.861 120.200 -0.023 0.000 2.496 513 E HA 0.381 4.731 4.350 -0.000 0.000 0.202 513 E C 0.213 176.647 176.600 -0.275 0.000 1.021 513 E CA -0.626 55.671 56.400 -0.172 0.000 1.015 513 E CB -0.166 29.102 29.700 -0.721 0.000 1.102 513 E HN 0.397 nan 8.360 nan 0.000 0.452 514 R N 0.279 120.607 120.500 -0.287 0.000 3.776 514 R HA -0.180 4.160 4.340 -0.000 0.000 0.312 514 R C -0.290 175.866 176.300 -0.240 0.000 1.181 514 R CA 0.770 56.582 56.100 -0.481 0.000 0.836 514 R CB -1.859 27.783 30.300 -1.096 0.000 1.324 514 R HN 0.340 nan 8.270 nan 0.000 0.501 515 R N 1.057 121.452 120.500 -0.175 0.000 2.207 515 R HA 0.219 4.559 4.340 -0.000 0.000 0.334 515 R C -0.828 175.302 176.300 -0.284 0.000 1.013 515 R CA -0.110 55.861 56.100 -0.214 0.000 0.858 515 R CB 1.084 31.195 30.300 -0.315 0.000 1.094 515 R HN -0.053 nan 8.270 nan 0.000 0.457 516 T N 5.894 120.366 114.554 -0.137 0.000 2.753 516 T HA 0.264 4.614 4.350 -0.000 0.000 0.297 516 T C -1.138 173.417 174.700 -0.242 0.000 0.981 516 T CA -0.575 61.404 62.100 -0.202 0.000 0.956 516 T CB 0.236 68.999 68.868 -0.176 0.000 0.936 516 T HN 0.649 nan 8.240 nan 0.000 0.463 517 H N 1.288 120.393 119.070 0.058 0.000 2.622 517 H HA 0.747 5.303 4.556 -0.000 0.000 0.363 517 H C -0.993 174.490 175.328 0.258 0.000 1.151 517 H CA -1.576 54.534 56.048 0.103 0.000 1.184 517 H CB 0.377 30.221 29.762 0.138 0.000 1.643 517 H HN 0.238 nan 8.280 nan 0.000 0.531 518 F N 0.502 120.418 119.950 -0.057 0.000 2.452 518 F HA 0.601 5.128 4.527 -0.000 0.000 0.353 518 F C -0.459 175.384 175.800 0.073 0.000 1.089 518 F CA -1.408 56.434 58.000 -0.263 0.000 1.080 518 F CB 0.981 39.537 39.000 -0.740 0.000 1.399 518 F HN 0.869 nan 8.300 nan 0.000 0.492 519 W N -0.246 121.068 121.300 0.023 0.000 3.901 519 W HA 0.398 5.057 4.660 -0.000 0.000 0.274 519 W C -1.749 174.771 176.519 0.001 0.000 1.278 519 W CA -0.803 56.520 57.345 -0.038 0.000 1.235 519 W CB -0.056 29.310 29.460 -0.157 0.000 1.261 519 W HN 0.358 nan 8.180 nan 0.000 0.546 520 H N 1.711 120.866 119.070 0.143 0.000 2.509 520 H HA 0.210 4.766 4.556 -0.000 0.000 0.360 520 H C -0.436 174.923 175.328 0.051 0.000 1.398 520 H CA -0.157 55.849 56.048 -0.071 0.000 1.429 520 H CB 1.259 30.669 29.762 -0.587 0.000 1.611 520 H HN 0.649 nan 8.280 nan 0.000 0.606 521 Q N 1.289 121.208 119.800 0.198 0.000 2.314 521 Q HA 0.078 4.418 4.340 -0.000 0.000 0.257 521 Q C -0.161 175.921 176.000 0.137 0.000 0.975 521 Q CA -0.585 55.307 55.803 0.148 0.000 0.933 521 Q CB 0.494 29.300 28.738 0.112 0.000 1.195 521 Q HN 0.340 nan 8.270 nan 0.000 0.426 522 L N 4.464 125.730 121.223 0.071 0.000 2.513 522 L HA 0.165 4.505 4.340 -0.000 0.000 0.222 522 L C 0.399 177.264 176.870 -0.009 0.000 1.096 522 L CA 0.530 55.395 54.840 0.041 0.000 0.857 522 L CB 0.112 42.150 42.059 -0.035 0.000 1.026 522 L HN 0.549 nan 8.230 nan 0.000 0.469 523 V N -4.841 115.060 119.914 -0.022 0.000 3.226 523 V HA 0.554 4.674 4.120 -0.000 0.000 0.304 523 V C -0.748 175.318 176.094 -0.048 0.000 1.336 523 V CA -1.190 61.095 62.300 -0.025 0.000 1.066 523 V CB 2.197 34.022 31.823 0.003 0.000 1.087 523 V HN 0.060 nan 8.190 nan 0.000 0.451 524 E N 1.061 121.231 120.200 -0.051 0.000 2.204 524 E HA 0.702 5.052 4.350 -0.000 0.000 0.276 524 E C -0.094 176.453 176.600 -0.090 0.000 0.974 524 E CA -0.555 55.787 56.400 -0.097 0.000 0.815 524 E CB 2.114 31.763 29.700 -0.086 0.000 1.119 524 E HN 1.109 nan 8.360 nan 0.000 0.393 525 A N 3.782 126.510 122.820 -0.155 0.000 2.386 525 A HA 0.308 4.628 4.320 -0.000 0.000 0.248 525 A C -1.931 175.611 177.584 -0.070 0.000 1.082 525 A CA -1.040 50.926 52.037 -0.118 0.000 0.789 525 A CB -0.327 18.577 19.000 -0.160 0.000 1.025 525 A HN 0.429 nan 8.150 nan 0.000 0.490 526 P HA 0.357 nan 4.420 nan 0.000 0.275 526 P C 0.926 178.217 177.300 -0.015 0.000 1.228 526 P CA 1.051 64.146 63.100 -0.009 0.000 0.786 526 P CB 0.736 32.444 31.700 0.014 0.000 0.927 527 G N 3.368 112.163 108.800 -0.007 0.000 2.672 527 G HA2 -0.297 3.663 3.960 -0.000 0.000 0.324 527 G HA3 -0.297 3.663 3.960 -0.000 0.000 0.324 527 G C 0.510 175.415 174.900 0.007 0.000 1.286 527 G CA 0.219 45.317 45.100 -0.003 0.000 1.004 527 G HN 0.585 nan 8.290 nan 0.000 0.548 528 E N 1.723 121.945 120.200 0.036 0.000 2.451 528 E HA 0.486 4.836 4.350 -0.000 0.000 0.194 528 E C 1.174 177.932 176.600 0.262 0.000 1.027 528 E CA 0.543 57.023 56.400 0.134 0.000 0.914 528 E CB 0.211 29.993 29.700 0.137 0.000 1.054 528 E HN 0.834 nan 8.360 nan 0.000 0.461 529 A N 1.768 124.665 122.820 0.127 0.000 2.425 529 A HA 0.398 4.718 4.320 -0.000 0.000 0.249 529 A C 0.347 177.965 177.584 0.058 0.000 1.084 529 A CA -0.067 52.073 52.037 0.171 0.000 0.781 529 A CB 0.518 19.556 19.000 0.063 0.000 1.019 529 A HN 0.002 nan 8.150 nan 0.000 0.490 530 R N 1.366 121.940 120.500 0.123 0.000 2.771 530 R HA 0.448 4.788 4.340 -0.000 0.000 0.274 530 R C -0.173 176.302 176.300 0.293 0.000 0.987 530 R CA -0.374 55.731 56.100 0.008 0.000 0.908 530 R CB 1.490 31.349 30.300 -0.736 0.000 1.213 530 R HN 0.923 nan 8.270 nan 0.000 0.468 531 S N 0.130 116.129 115.700 0.498 0.000 2.559 531 S HA -0.041 4.429 4.470 -0.000 0.000 0.282 531 S C 0.669 175.496 174.600 0.379 0.000 1.336 531 S CA -0.176 58.256 58.200 0.386 0.000 1.037 531 S CB 0.580 63.995 63.200 0.359 0.000 0.853 531 S HN 0.518 nan 8.310 nan 0.000 0.523 532 D N 0.535 121.133 120.400 0.330 0.000 2.178 532 D HA -0.108 4.532 4.640 -0.000 0.000 0.201 532 D C 1.775 178.195 176.300 0.199 0.000 0.980 532 D CA 1.014 55.201 54.000 0.310 0.000 0.842 532 D CB -0.156 40.863 40.800 0.365 0.000 0.948 532 D HN 0.503 nan 8.370 nan 0.000 0.472 533 L N 0.185 121.502 121.223 0.157 0.000 1.989 533 L HA -0.160 4.180 4.340 -0.000 0.000 0.211 533 L C 2.204 179.132 176.870 0.097 0.000 1.071 533 L CA 1.720 56.590 54.840 0.050 0.000 0.749 533 L CB -0.702 41.400 42.059 0.072 0.000 0.890 533 L HN 0.155 nan 8.230 nan 0.000 0.431 534 W N 0.361 121.655 121.300 -0.009 0.000 2.355 534 W HA -0.239 4.421 4.660 -0.000 0.000 0.309 534 W C 2.553 179.157 176.519 0.141 0.000 1.206 534 W CA 2.108 59.463 57.345 0.016 0.000 1.284 534 W CB -0.338 29.018 29.460 -0.174 0.000 1.145 534 W HN 0.254 nan 8.180 nan 0.000 0.502 535 Q N -0.218 119.841 119.800 0.431 0.000 2.062 535 Q HA -0.287 4.053 4.340 -0.000 0.000 0.209 535 Q C 2.134 178.365 176.000 0.385 0.000 0.996 535 Q CA 2.043 58.115 55.803 0.449 0.000 0.859 535 Q CB -0.822 28.344 28.738 0.714 0.000 0.920 535 Q HN 0.266 nan 8.270 nan 0.000 0.415 536 L N 0.334 121.682 121.223 0.209 0.000 1.943 536 L HA -0.234 4.106 4.340 -0.000 0.000 0.215 536 L C 2.375 179.302 176.870 0.095 0.000 1.074 536 L CA 1.855 56.786 54.840 0.152 0.000 0.759 536 L CB -1.011 40.996 42.059 -0.086 0.000 0.888 536 L HN 0.351 nan 8.230 nan 0.000 0.433 537 M N -1.337 118.161 119.600 -0.170 0.000 2.089 537 M HA -0.287 4.193 4.480 -0.000 0.000 0.257 537 M C 2.185 178.486 176.300 0.002 0.000 1.071 537 M CA 2.123 57.248 55.300 -0.292 0.000 1.096 537 M CB -0.901 31.387 32.600 -0.520 0.000 1.330 537 M HN 0.249 nan 8.290 nan 0.000 0.403 538 E N 0.683 120.739 120.200 -0.240 0.000 2.072 538 E HA -0.173 4.177 4.350 -0.000 0.000 0.191 538 E C 1.674 178.015 176.600 -0.433 0.000 0.985 538 E CA 1.205 57.349 56.400 -0.427 0.000 0.801 538 E CB -0.422 28.698 29.700 -0.967 0.000 0.750 538 E HN 0.403 nan 8.360 nan 0.000 0.452 539 F N 0.446 120.022 119.950 -0.624 0.000 2.408 539 F HA -0.077 4.449 4.527 -0.000 0.000 0.300 539 F C 2.044 177.821 175.800 -0.039 0.000 1.090 539 F CA 1.085 58.719 58.000 -0.611 0.000 1.427 539 F CB -0.393 38.528 39.000 -0.132 0.000 1.070 539 F HN -0.032 nan 8.300 nan 0.000 0.549 540 S N 0.317 116.011 115.700 -0.010 0.000 2.345 540 S HA -0.174 4.296 4.470 -0.000 0.000 0.220 540 S C 1.734 176.342 174.600 0.012 0.000 1.031 540 S CA 1.125 59.356 58.200 0.051 0.000 0.996 540 S CB -0.230 63.199 63.200 0.380 0.000 0.882 540 S HN 0.363 nan 8.310 nan 0.000 0.445 541 K N 0.497 120.822 120.400 -0.125 0.000 2.588 541 K HA -0.101 4.219 4.320 -0.000 0.000 0.196 541 K C 1.719 178.191 176.600 -0.214 0.000 1.044 541 K CA 0.739 56.862 56.287 -0.273 0.000 0.934 541 K CB -0.051 32.156 32.500 -0.488 0.000 0.773 541 K HN 0.038 nan 8.250 nan 0.000 0.489 542 R N -0.719 119.649 120.500 -0.220 0.000 2.237 542 R HA 0.156 4.496 4.340 -0.000 0.000 0.195 542 R C -0.158 175.820 176.300 -0.537 0.000 0.956 542 R CA 0.401 56.251 56.100 -0.417 0.000 1.029 542 R CB 0.420 30.310 30.300 -0.683 0.000 0.972 542 R HN -0.042 nan 8.270 nan 0.000 0.493 543 F N -1.382 118.441 119.950 -0.212 0.000 2.440 543 F HA 0.475 5.002 4.527 -0.000 0.000 0.328 543 F C 0.653 176.344 175.800 -0.181 0.000 1.070 543 F CA -0.779 57.126 58.000 -0.160 0.000 1.011 543 F CB 1.565 40.517 39.000 -0.081 0.000 1.226 543 F HN -0.337 nan 8.300 nan 0.000 0.491 544 T N -0.559 113.990 114.554 -0.008 0.000 2.908 544 T HA 0.280 4.630 4.350 -0.000 0.000 0.290 544 T C 0.917 175.486 174.700 -0.218 0.000 1.034 544 T CA -0.396 61.633 62.100 -0.117 0.000 1.010 544 T CB 1.227 70.038 68.868 -0.095 0.000 1.068 544 T HN 0.755 nan 8.240 nan 0.000 0.481 545 T N 1.881 116.224 114.554 -0.352 0.000 2.849 545 T HA -0.113 4.237 4.350 -0.000 0.000 0.270 545 T C 0.970 175.533 174.700 -0.227 0.000 1.066 545 T CA 1.173 62.929 62.100 -0.574 0.000 1.130 545 T CB -0.270 68.281 68.868 -0.528 0.000 0.864 545 T HN 0.605 nan 8.240 nan 0.000 0.481 546 D N 1.406 121.747 120.400 -0.099 0.000 1.658 546 D HA 0.018 4.658 4.640 -0.000 0.000 0.319 546 D C 1.696 178.001 176.300 0.009 0.000 1.076 546 D CA 0.322 54.317 54.000 -0.008 0.000 0.860 546 D CB -0.706 40.087 40.800 -0.012 0.000 1.368 546 D HN 0.314 nan 8.370 nan 0.000 0.468 547 E N -1.069 119.140 120.200 0.014 0.000 2.980 547 E HA -0.322 4.028 4.350 -0.000 0.000 0.225 547 E C 1.732 178.389 176.600 0.096 0.000 0.998 547 E CA 3.100 59.527 56.400 0.045 0.000 1.773 547 E CB -0.422 29.304 29.700 0.043 0.000 1.664 547 E HN 0.233 nan 8.360 nan 0.000 0.401 548 V N -2.246 117.736 119.914 0.114 0.000 3.085 548 V HA 0.068 4.188 4.120 -0.000 0.000 0.245 548 V C 0.687 176.988 176.094 0.345 0.000 1.114 548 V CA 0.378 62.799 62.300 0.201 0.000 1.108 548 V CB -0.171 31.786 31.823 0.224 0.000 0.798 548 V HN 0.184 nan 8.190 nan 0.000 0.471 549 W N 1.970 123.295 121.300 0.041 0.000 2.303 549 W HA 0.493 5.153 4.660 -0.000 0.000 0.334 549 W C -2.251 174.284 176.519 0.027 0.000 1.197 549 W CA -3.042 54.315 57.345 0.020 0.000 1.262 549 W CB -0.667 28.785 29.460 -0.014 0.000 1.153 549 W HN 0.003 nan 8.180 nan 0.000 0.596 550 P HA 0.010 nan 4.420 nan 0.000 0.271 550 P C 0.516 177.897 177.300 0.135 0.000 1.216 550 P CA 0.267 63.444 63.100 0.128 0.000 0.776 550 P CB 0.889 32.628 31.700 0.065 0.000 0.881 551 E N 2.352 122.615 120.200 0.105 0.000 2.118 551 E HA -0.216 4.134 4.350 -0.000 0.000 0.195 551 E C 1.250 177.902 176.600 0.086 0.000 0.992 551 E CA 1.158 57.616 56.400 0.096 0.000 0.804 551 E CB -0.261 29.481 29.700 0.070 0.000 0.741 551 E HN 0.558 nan 8.360 nan 0.000 0.458 552 E N 1.170 121.409 120.200 0.065 0.000 2.033 552 E HA -0.208 4.142 4.350 -0.000 0.000 0.199 552 E C 2.310 178.947 176.600 0.062 0.000 1.011 552 E CA 1.323 57.754 56.400 0.052 0.000 0.815 552 E CB -0.360 29.360 29.700 0.035 0.000 0.755 552 E HN 0.286 nan 8.360 nan 0.000 0.451 553 I N 1.374 121.977 120.570 0.055 0.000 2.194 553 I HA -0.320 3.850 4.170 -0.000 0.000 0.246 553 I C 2.494 178.692 176.117 0.135 0.000 1.093 553 I CA 1.072 62.400 61.300 0.047 0.000 1.355 553 I CB -0.263 37.712 38.000 -0.041 0.000 1.046 553 I HN 0.123 nan 8.210 nan 0.000 0.413 554 L N 0.090 121.422 121.223 0.182 0.000 1.976 554 L HA -0.255 4.085 4.340 -0.000 0.000 0.209 554 L C 2.897 179.863 176.870 0.161 0.000 1.071 554 L CA 2.035 57.009 54.840 0.223 0.000 0.746 554 L CB -1.081 41.092 42.059 0.190 0.000 0.890 554 L HN 0.437 nan 8.230 nan 0.000 0.432 555 S N 0.644 116.410 115.700 0.110 0.000 2.390 555 S HA -0.341 4.129 4.470 -0.000 0.000 0.234 555 S C 2.134 176.783 174.600 0.081 0.000 1.063 555 S CA 1.655 59.903 58.200 0.079 0.000 1.108 555 S CB -0.695 62.541 63.200 0.059 0.000 0.975 555 S HN 0.412 nan 8.310 nan 0.000 0.442 556 A N 1.838 124.711 122.820 0.088 0.000 1.940 556 A HA 0.472 4.792 4.320 -0.000 0.000 0.219 556 A C 1.495 179.146 177.584 0.112 0.000 1.176 556 A CA 1.383 53.470 52.037 0.084 0.000 0.631 556 A CB -0.851 18.194 19.000 0.074 0.000 0.814 556 A HN 1.492 nan 8.150 nan 0.000 0.446 557 A N -1.019 121.907 122.820 0.178 0.000 2.605 557 A HA 0.597 4.917 4.320 -0.000 0.000 0.293 557 A C -1.581 176.104 177.584 0.169 0.000 1.216 557 A CA -1.215 50.940 52.037 0.198 0.000 0.742 557 A CB 0.774 20.006 19.000 0.388 0.000 1.170 557 A HN 0.083 nan 8.150 nan 0.000 0.443 558 P HA -0.219 nan 4.420 nan 0.000 0.215 558 P C 0.940 178.224 177.300 -0.027 0.000 1.163 558 P CA 2.002 65.117 63.100 0.026 0.000 0.894 558 P CB 0.066 31.764 31.700 -0.005 0.000 0.791 559 A N -0.555 122.173 122.820 -0.152 0.000 2.770 559 A HA 0.134 4.454 4.320 -0.000 0.000 0.292 559 A C -0.571 176.706 177.584 -0.512 0.000 1.604 559 A CA 0.310 52.171 52.037 -0.293 0.000 1.271 559 A CB -2.025 16.756 19.000 -0.366 0.000 1.075 559 A HN 0.375 nan 8.150 nan 0.000 0.573 560 Y N 0.039 120.339 120.300 -0.000 0.000 3.769 560 Y HA 0.004 4.554 4.550 -0.000 0.000 0.223 560 Y C 0.133 176.005 175.900 -0.046 0.000 1.054 560 Y CA -0.571 57.514 58.100 -0.024 0.000 1.391 560 Y CB -0.515 38.063 38.460 0.198 0.000 1.246 560 Y HN 0.676 nan 8.280 nan 0.000 0.560 561 R N 0.688 121.213 120.500 0.042 0.000 2.569 561 R HA 0.549 4.889 4.340 -0.000 0.000 0.293 561 R C 0.463 176.745 176.300 -0.030 0.000 1.186 561 R CA 0.168 56.275 56.100 0.012 0.000 0.956 561 R CB 1.705 32.023 30.300 0.030 0.000 1.196 561 R HN 0.509 nan 8.270 nan 0.000 0.444 562 G N 2.392 111.158 108.800 -0.057 0.000 3.076 562 G HA2 -0.338 3.622 3.960 -0.000 0.000 0.256 562 G HA3 -0.338 3.622 3.960 -0.000 0.000 0.256 562 G C 0.294 175.138 174.900 -0.093 0.000 1.589 562 G CA 0.126 45.188 45.100 -0.065 0.000 1.044 562 G HN 0.505 nan 8.290 nan 0.000 0.563 563 K N -0.213 120.141 120.400 -0.077 0.000 11.238 563 K HA -0.338 3.981 4.320 -0.000 0.000 0.527 563 K C 1.098 177.647 176.600 -0.086 0.000 0.396 563 K CA 4.363 60.600 56.287 -0.083 0.000 1.912 563 K CB -2.303 30.135 32.500 -0.103 0.000 0.792 563 K HN 2.997 nan 8.250 nan 0.000 1.257 564 T N -2.182 112.290 114.554 -0.136 0.000 0.545 564 T HA -0.115 4.235 4.350 -0.000 0.000 0.773 564 T C -0.157 174.472 174.700 -0.118 0.000 0.992 564 T CA 0.413 62.447 62.100 -0.111 0.000 4.074 564 T CB -1.438 67.393 68.868 -0.063 0.000 2.301 564 T HN 0.327 nan 8.240 nan 0.000 0.398 565 L N 4.715 125.849 121.223 -0.148 0.000 2.742 565 L HA 0.461 4.801 4.340 -0.000 0.000 0.275 565 L C 1.175 178.019 176.870 -0.043 0.000 1.141 565 L CA 0.765 55.480 54.840 -0.208 0.000 0.987 565 L CB -0.673 41.235 42.059 -0.251 0.000 1.319 565 L HN 0.818 nan 8.230 nan 0.000 0.478 566 F N 0.191 119.957 119.950 -0.306 0.000 1.692 566 F HA -0.186 4.341 4.527 -0.000 0.000 0.287 566 F C 1.625 177.306 175.800 -0.198 0.000 1.241 566 F CA 0.307 58.194 58.000 -0.190 0.000 1.255 566 F CB -0.125 38.840 39.000 -0.058 0.000 2.008 566 F HN 0.344 nan 8.300 nan 0.000 0.119 567 E N 0.735 120.969 120.200 0.057 0.000 2.077 567 E HA -0.119 4.231 4.350 -0.000 0.000 0.193 567 E C 1.795 178.297 176.600 -0.164 0.000 0.989 567 E CA 1.803 58.180 56.400 -0.038 0.000 0.800 567 E CB -0.129 29.573 29.700 0.003 0.000 0.746 567 E HN 0.369 nan 8.360 nan 0.000 0.452 568 V N 1.211 121.024 119.914 -0.169 0.000 2.667 568 V HA -0.154 3.965 4.120 -0.000 0.000 0.252 568 V C 2.008 177.924 176.094 -0.296 0.000 1.065 568 V CA 1.202 63.418 62.300 -0.141 0.000 1.083 568 V CB -0.186 31.550 31.823 -0.145 0.000 0.692 568 V HN 0.231 nan 8.190 nan 0.000 0.468 569 L N -2.513 118.361 121.223 -0.581 0.000 2.467 569 L HA 0.251 4.590 4.340 -0.000 0.000 0.213 569 L C 1.667 177.822 176.870 -1.192 0.000 1.053 569 L CA 0.923 55.149 54.840 -1.023 0.000 0.847 569 L CB 0.097 41.231 42.059 -1.541 0.000 1.075 569 L HN 0.281 nan 8.230 nan 0.000 0.479 570 F N -1.043 118.538 119.950 -0.616 0.000 2.767 570 F HA 0.361 4.888 4.527 -0.000 0.000 0.323 570 F C 1.232 176.511 175.800 -0.868 0.000 1.091 570 F CA -0.154 57.409 58.000 -0.729 0.000 1.192 570 F CB 0.494 38.932 39.000 -0.936 0.000 1.056 570 F HN -0.127 nan 8.300 nan 0.000 0.571 571 A N 0.024 122.475 122.820 -0.616 0.000 2.911 571 A HA 0.323 4.643 4.320 -0.000 0.000 0.304 571 A C 0.753 178.144 177.584 -0.322 0.000 1.144 571 A CA -0.191 51.536 52.037 -0.517 0.000 0.988 571 A CB -0.599 18.225 19.000 -0.293 0.000 1.141 571 A HN 0.073 nan 8.150 nan 0.000 0.552 572 N N 0.713 119.231 118.700 -0.303 0.000 2.459 572 N HA 0.026 4.766 4.740 -0.000 0.000 0.181 572 N C 1.479 176.891 175.510 -0.164 0.000 1.046 572 N CA 1.485 54.424 53.050 -0.185 0.000 0.904 572 N CB 0.124 38.524 38.487 -0.146 0.000 0.964 572 N HN 0.877 nan 8.380 nan 0.000 0.444 573 G N -1.053 107.614 108.800 -0.222 0.000 2.159 573 G HA2 -0.286 3.674 3.960 -0.000 0.000 0.256 573 G HA3 -0.286 3.674 3.960 -0.000 0.000 0.256 573 G C 0.941 175.732 174.900 -0.182 0.000 0.977 573 G CA 0.912 45.897 45.100 -0.191 0.000 0.652 573 G HN 0.469 nan 8.290 nan 0.000 0.531 574 S N -1.580 114.016 115.700 -0.173 0.000 2.620 574 S HA 0.263 4.733 4.470 -0.000 0.000 0.234 574 S C 2.274 176.799 174.600 -0.126 0.000 1.064 574 S CA 1.555 59.681 58.200 -0.123 0.000 0.920 574 S CB 0.100 63.272 63.200 -0.047 0.000 0.826 574 S HN 0.577 nan 8.310 nan 0.000 0.557 575 V N 2.646 122.476 119.914 -0.141 0.000 2.871 575 V HA 0.019 4.139 4.120 -0.000 0.000 0.256 575 V C 1.251 177.214 176.094 -0.218 0.000 1.082 575 V CA 1.697 63.940 62.300 -0.096 0.000 1.105 575 V CB -0.606 31.174 31.823 -0.072 0.000 0.713 575 V HN 0.444 nan 8.190 nan 0.000 0.473 576 D N -0.309 119.822 120.400 -0.448 0.000 2.347 576 D HA -0.031 4.609 4.640 -0.000 0.000 0.213 576 D C 2.042 178.211 176.300 -0.218 0.000 0.985 576 D CA 0.166 53.856 54.000 -0.516 0.000 0.879 576 D CB -0.303 40.176 40.800 -0.535 0.000 0.919 576 D HN 0.238 nan 8.370 nan 0.000 0.526 577 R N -0.050 120.263 120.500 -0.312 0.000 2.224 577 R HA -0.200 4.140 4.340 -0.000 0.000 0.255 577 R C -0.130 175.840 176.300 -0.550 0.000 1.130 577 R CA 1.212 56.989 56.100 -0.540 0.000 0.957 577 R CB -0.254 29.493 30.300 -0.922 0.000 0.907 577 R HN 0.152 nan 8.270 nan 0.000 0.446 578 F N 1.532 121.505 119.950 0.038 0.000 2.408 578 F HA 0.400 4.927 4.527 -0.000 0.000 0.344 578 F C -1.670 174.232 175.800 0.169 0.000 1.112 578 F CA -3.017 55.039 58.000 0.093 0.000 1.096 578 F CB 1.043 40.086 39.000 0.072 0.000 1.129 578 F HN 0.055 nan 8.300 nan 0.000 0.486 579 P HA 0.068 nan 4.420 nan 0.000 0.272 579 P C 0.093 177.496 177.300 0.172 0.000 1.240 579 P CA -0.194 63.031 63.100 0.208 0.000 0.791 579 P CB 1.052 32.834 31.700 0.137 0.000 0.978 580 A N 0.969 123.849 122.820 0.101 0.000 2.225 580 A HA -0.063 4.257 4.320 -0.000 0.000 0.215 580 A C 1.633 179.178 177.584 -0.066 0.000 1.164 580 A CA 1.305 53.343 52.037 0.000 0.000 0.710 580 A CB -0.955 18.046 19.000 0.001 0.000 0.780 580 A HN 0.672 nan 8.150 nan 0.000 0.473 581 S N -1.094 114.601 115.700 -0.008 0.000 2.397 581 S HA 0.304 4.773 4.470 -0.000 0.000 0.261 581 S C 0.488 175.071 174.600 -0.027 0.000 1.187 581 S CA 0.531 58.719 58.200 -0.020 0.000 1.023 581 S CB 0.225 63.441 63.200 0.027 0.000 1.103 581 S HN 0.407 nan 8.310 nan 0.000 0.474 582 D N -1.405 119.013 120.400 0.031 0.000 2.955 582 D HA -0.124 4.516 4.640 -0.000 0.000 0.226 582 D C -0.357 175.941 176.300 -0.004 0.000 1.178 582 D CA 1.028 55.087 54.000 0.098 0.000 0.808 582 D CB -1.276 39.667 40.800 0.239 0.000 1.099 582 D HN 0.283 nan 8.370 nan 0.000 0.421 583 V N 0.656 120.459 119.914 -0.185 0.000 2.771 583 V HA 0.191 4.311 4.120 -0.000 0.000 0.355 583 V C -0.061 175.934 176.094 -0.164 0.000 1.289 583 V CA -0.148 61.926 62.300 -0.376 0.000 1.231 583 V CB 0.150 31.530 31.823 -0.738 0.000 1.396 583 V HN 0.475 nan 8.190 nan 0.000 0.628 584 N N 1.801 120.473 118.700 -0.048 0.000 2.621 584 N HA -0.143 4.596 4.740 -0.000 0.000 0.291 584 N C -1.916 173.540 175.510 -0.091 0.000 1.580 584 N CA 0.765 53.781 53.050 -0.057 0.000 1.058 584 N CB 0.503 38.903 38.487 -0.144 0.000 0.975 584 N HN 0.240 nan 8.380 nan 0.000 0.477 585 P HA -0.171 nan 4.420 nan 0.000 0.217 585 P C -0.073 177.155 177.300 -0.120 0.000 1.162 585 P CA 1.530 64.582 63.100 -0.080 0.000 0.901 585 P CB 0.050 31.715 31.700 -0.059 0.000 0.793 586 D N -1.140 119.163 120.400 -0.162 0.000 2.377 586 D HA 0.059 4.699 4.640 -0.000 0.000 0.245 586 D C 0.075 176.189 176.300 -0.310 0.000 1.196 586 D CA 0.237 54.056 54.000 -0.302 0.000 0.962 586 D CB -0.132 40.390 40.800 -0.463 0.000 1.127 586 D HN 0.306 nan 8.370 nan 0.000 0.471 587 H N -1.767 117.180 119.070 -0.205 0.000 4.237 587 H HA -0.040 4.516 4.556 -0.000 0.000 0.290 587 H C -0.636 174.588 175.328 -0.174 0.000 0.689 587 H CA 0.519 56.432 56.048 -0.225 0.000 0.817 587 H CB -1.093 28.397 29.762 -0.453 0.000 1.217 587 H HN 0.614 nan 8.280 nan 0.000 0.320 588 A N 2.759 125.579 122.820 0.000 0.000 2.242 588 A HA 0.600 4.920 4.320 -0.000 0.000 0.304 588 A C 0.638 178.222 177.584 0.000 0.000 1.100 588 A CA -0.248 51.773 52.037 -0.027 0.000 0.860 588 A CB 1.108 20.088 19.000 -0.033 0.000 1.168 588 A HN 0.643 nan 8.150 nan 0.000 0.503 589 N N -0.573 118.119 118.700 -0.014 0.000 2.701 589 N HA 0.045 4.785 4.740 -0.000 0.000 0.258 589 N C 0.510 176.026 175.510 0.010 0.000 1.262 589 N CA -0.326 52.732 53.050 0.014 0.000 0.780 589 N CB 0.460 38.909 38.487 -0.063 0.000 1.380 589 N HN 0.813 nan 8.380 nan 0.000 0.548 590 H N 2.013 121.012 119.070 -0.119 0.000 2.426 590 H HA -0.077 4.479 4.556 -0.000 0.000 0.298 590 H C 0.069 175.253 175.328 -0.240 0.000 1.107 590 H CA 1.541 57.478 56.048 -0.185 0.000 1.298 590 H CB 0.110 29.743 29.762 -0.215 0.000 1.377 590 H HN 0.484 nan 8.280 nan 0.000 0.519 591 E N 0.510 120.352 120.200 -0.598 0.000 2.511 591 E HA 0.200 4.550 4.350 -0.000 0.000 0.196 591 E C 1.769 178.173 176.600 -0.327 0.000 1.066 591 E CA 0.607 56.682 56.400 -0.541 0.000 0.871 591 E CB 0.264 29.746 29.700 -0.365 0.000 0.863 591 E HN 0.668 nan 8.360 nan 0.000 0.520 592 A N 0.370 123.053 122.820 -0.227 0.000 2.259 592 A HA 0.474 4.794 4.320 -0.000 0.000 0.213 592 A C 2.064 179.560 177.584 -0.146 0.000 1.209 592 A CA 0.497 52.443 52.037 -0.153 0.000 0.910 592 A CB 0.193 19.122 19.000 -0.118 0.000 0.946 592 A HN 0.246 nan 8.150 nan 0.000 0.497 593 A N 0.085 122.807 122.820 -0.165 0.000 1.898 593 A HA 0.356 4.676 4.320 -0.000 0.000 0.214 593 A C 0.951 178.450 177.584 -0.142 0.000 1.183 593 A CA 0.440 52.404 52.037 -0.122 0.000 0.622 593 A CB -0.384 18.553 19.000 -0.104 0.000 0.824 593 A HN 0.420 nan 8.150 nan 0.000 0.444 594 L N -0.371 120.689 121.223 -0.271 0.000 2.375 594 L HA 0.529 4.869 4.340 -0.000 0.000 0.271 594 L C -0.586 176.058 176.870 -0.377 0.000 1.107 594 L CA -0.674 53.967 54.840 -0.332 0.000 0.806 594 L CB 0.175 41.925 42.059 -0.515 0.000 1.146 594 L HN 0.345 nan 8.230 nan 0.000 0.447 595 F N -0.122 119.800 119.950 -0.047 0.000 2.182 595 F HA -0.147 4.380 4.527 -0.000 0.000 0.323 595 F C 1.024 176.742 175.800 -0.137 0.000 1.276 595 F CA 0.286 58.198 58.000 -0.147 0.000 0.933 595 F CB -1.215 37.436 39.000 -0.583 0.000 4.109 595 F HN 0.662 nan 8.300 nan 0.000 0.171 596 G N -0.272 108.664 108.800 0.227 0.000 3.126 596 G HA2 0.381 4.341 3.960 -0.000 0.000 0.224 596 G HA3 0.381 4.341 3.960 -0.000 0.000 0.224 596 G C 0.239 175.315 174.900 0.293 0.000 1.142 596 G CA 0.443 45.684 45.100 0.234 0.000 0.759 596 G HN 0.480 nan 8.290 nan 0.000 0.550 597 F N -1.288 118.766 119.950 0.173 0.000 2.433 597 F HA 0.711 5.238 4.527 -0.000 0.000 0.288 597 F C -0.268 175.664 175.800 0.220 0.000 0.996 597 F CA -3.192 54.903 58.000 0.159 0.000 1.104 597 F CB 0.118 39.181 39.000 0.105 0.000 1.946 597 F HN -0.134 nan 8.300 nan 0.000 0.583 598 Y N 2.109 122.543 120.300 0.223 0.000 2.609 598 Y HA 0.454 5.004 4.550 -0.000 0.000 0.350 598 Y C -2.498 173.405 175.900 0.005 0.000 1.050 598 Y CA -4.123 53.989 58.100 0.021 0.000 1.290 598 Y CB 0.380 38.849 38.460 0.015 0.000 1.094 598 Y HN 0.140 nan 8.280 nan 0.000 0.583 599 P HA -0.280 nan 4.420 nan 0.000 0.214 599 P C 1.574 178.657 177.300 -0.361 0.000 1.172 599 P CA 2.681 65.745 63.100 -0.060 0.000 0.925 599 P CB 0.326 31.951 31.700 -0.125 0.000 0.793 600 Q N 0.387 119.745 119.800 -0.737 0.000 2.029 600 Q HA -0.259 4.081 4.340 -0.000 0.000 0.209 600 Q C 2.145 177.518 176.000 -1.044 0.000 0.999 600 Q CA 1.865 56.841 55.803 -1.378 0.000 0.857 600 Q CB -1.339 26.279 28.738 -1.867 0.000 0.926 600 Q HN 0.318 nan 8.270 nan 0.000 0.415 601 K N 0.759 120.191 120.400 -1.614 0.000 2.032 601 K HA -0.135 4.184 4.320 -0.000 0.000 0.209 601 K C 2.296 178.499 176.600 -0.662 0.000 1.048 601 K CA 1.541 56.718 56.287 -1.850 0.000 0.927 601 K CB -0.565 30.531 32.500 -2.340 0.000 0.712 601 K HN 0.357 nan 8.250 nan 0.000 0.441 602 G N 1.074 109.733 108.800 -0.234 0.000 2.459 602 G HA2 -0.254 3.706 3.960 -0.000 0.000 0.217 602 G HA3 -0.254 3.706 3.960 -0.000 0.000 0.217 602 G C 1.447 176.453 174.900 0.177 0.000 1.183 602 G CA 1.003 46.218 45.100 0.191 0.000 0.776 602 G HN 0.190 nan 8.290 nan 0.000 0.552 603 L N -0.807 120.503 121.223 0.144 0.000 2.017 603 L HA 0.033 4.372 4.340 -0.000 0.000 0.208 603 L C 2.494 179.542 176.870 0.296 0.000 1.073 603 L CA 1.224 56.261 54.840 0.330 0.000 0.745 603 L CB -0.579 41.694 42.059 0.356 0.000 0.894 603 L HN 0.207 nan 8.230 nan 0.000 0.432 604 F N 0.696 120.764 119.950 0.196 0.000 2.046 604 F HA -0.258 4.269 4.527 -0.000 0.000 0.297 604 F C 2.649 178.598 175.800 0.248 0.000 1.123 604 F CA 1.807 60.011 58.000 0.339 0.000 1.199 604 F CB -0.229 39.126 39.000 0.593 0.000 0.972 604 F HN 0.056 nan 8.300 nan 0.000 0.474 605 E N 0.227 120.580 120.200 0.255 0.000 2.153 605 E HA -0.246 4.104 4.350 -0.000 0.000 0.194 605 E C 2.127 178.785 176.600 0.096 0.000 0.988 605 E CA 1.302 57.801 56.400 0.166 0.000 0.811 605 E CB -0.447 29.413 29.700 0.266 0.000 0.746 605 E HN 0.662 nan 8.360 nan 0.000 0.466 606 E N -0.022 120.271 120.200 0.155 0.000 2.006 606 E HA -0.205 4.145 4.350 -0.000 0.000 0.192 606 E C 2.157 178.838 176.600 0.135 0.000 0.993 606 E CA 0.732 57.248 56.400 0.193 0.000 0.808 606 E CB -0.368 29.545 29.700 0.354 0.000 0.764 606 E HN 0.206 nan 8.360 nan 0.000 0.449 607 Y N 1.165 121.334 120.300 -0.218 0.000 2.173 607 Y HA -0.307 4.243 4.550 -0.000 0.000 0.282 607 Y C 1.908 177.678 175.900 -0.217 0.000 1.192 607 Y CA 1.877 59.639 58.100 -0.563 0.000 1.176 607 Y CB -0.740 36.822 38.460 -1.497 0.000 0.969 607 Y HN 0.171 nan 8.280 nan 0.000 0.519 608 A N 0.658 123.141 122.820 -0.562 0.000 2.024 608 A HA -0.070 4.250 4.320 -0.000 0.000 0.220 608 A C 2.410 179.808 177.584 -0.310 0.000 1.164 608 A CA 1.649 53.338 52.037 -0.580 0.000 0.643 608 A CB -1.436 17.316 19.000 -0.413 0.000 0.806 608 A HN 0.699 nan 8.150 nan 0.000 0.451 609 A N -1.606 121.106 122.820 -0.180 0.000 2.121 609 A HA 0.098 4.418 4.320 -0.000 0.000 0.218 609 A C 1.744 179.206 177.584 -0.205 0.000 1.154 609 A CA 1.006 52.951 52.037 -0.153 0.000 0.679 609 A CB -0.701 18.198 19.000 -0.169 0.000 0.795 609 A HN 0.469 nan 8.150 nan 0.000 0.458 610 F N 0.196 119.970 119.950 -0.294 0.000 2.206 610 F HA 0.110 4.637 4.527 -0.000 0.000 0.298 610 F C 2.035 177.703 175.800 -0.220 0.000 1.090 610 F CA 0.806 58.632 58.000 -0.291 0.000 1.323 610 F CB -0.466 38.308 39.000 -0.377 0.000 1.028 610 F HN 0.289 nan 8.300 nan 0.000 0.492 611 G N -1.349 107.403 108.800 -0.079 0.000 2.641 611 G HA2 0.500 4.460 3.960 -0.000 0.000 0.239 611 G HA3 0.500 4.460 3.960 -0.000 0.000 0.239 611 G C -0.645 174.327 174.900 0.120 0.000 1.402 611 G CA -0.703 44.410 45.100 0.022 0.000 1.046 611 G HN 0.120 nan 8.290 nan 0.000 0.565 612 R N -1.191 119.367 120.500 0.096 0.000 2.022 612 R HA -0.095 4.244 4.340 -0.000 0.000 0.372 612 R C 0.644 176.982 176.300 0.062 0.000 1.161 612 R CA 0.593 56.742 56.100 0.083 0.000 0.928 612 R CB -1.590 28.733 30.300 0.038 0.000 2.817 612 R HN 2.333 nan 8.270 nan 0.000 0.489 613 G N 1.613 110.444 108.800 0.052 0.000 3.050 613 G HA2 -0.293 3.667 3.960 -0.000 0.000 0.234 613 G HA3 -0.293 3.667 3.960 -0.000 0.000 0.234 613 G C -0.792 174.074 174.900 -0.057 0.000 1.521 613 G CA 0.033 45.055 45.100 -0.130 0.000 1.090 613 G HN 0.852 nan 8.290 nan 0.000 0.556 614 H N 2.707 121.831 119.070 0.090 0.000 3.327 614 H HA 0.385 4.941 4.556 -0.000 0.000 0.229 614 H C 1.741 177.009 175.328 -0.100 0.000 0.895 614 H CA 1.143 57.212 56.048 0.035 0.000 1.380 614 H CB -0.732 29.075 29.762 0.074 0.000 1.545 614 H HN 1.919 nan 8.280 nan 0.000 0.509 615 G N 2.936 111.446 108.800 -0.483 0.000 2.596 615 G HA2 -0.478 3.482 3.960 -0.000 0.000 0.421 615 G HA3 -0.478 3.482 3.960 -0.000 0.000 0.421 615 G C 0.431 175.121 174.900 -0.350 0.000 1.364 615 G CA 0.617 45.269 45.100 -0.746 0.000 0.954 615 G HN 1.047 nan 8.290 nan 0.000 0.524 616 H N -0.088 118.888 119.070 -0.157 0.000 2.814 616 H HA -0.173 4.383 4.556 -0.000 0.000 0.313 616 H C 0.495 175.651 175.328 -0.288 0.000 1.027 616 H CA 1.388 57.148 56.048 -0.481 0.000 1.180 616 H CB -1.853 27.581 29.762 -0.548 0.000 1.366 616 H HN 0.628 nan 8.280 nan 0.000 0.364 617 D N 1.041 121.471 120.400 0.049 0.000 2.426 617 D HA 0.166 4.806 4.640 -0.000 0.000 0.261 617 D C 0.729 177.121 176.300 0.154 0.000 1.245 617 D CA 0.279 54.345 54.000 0.109 0.000 0.917 617 D CB 0.511 41.426 40.800 0.193 0.000 1.123 617 D HN 0.231 nan 8.370 nan 0.000 0.508 618 L N 2.032 123.314 121.223 0.098 0.000 2.360 618 L HA 0.579 4.919 4.340 -0.000 0.000 0.271 618 L C 0.840 177.898 176.870 0.314 0.000 1.057 618 L CA -1.046 53.955 54.840 0.268 0.000 0.803 618 L CB 1.240 43.398 42.059 0.165 0.000 1.207 618 L HN 0.393 nan 8.230 nan 0.000 0.445 619 A N 3.253 126.321 122.820 0.412 0.000 2.280 619 A HA 0.564 4.884 4.320 -0.000 0.000 0.268 619 A C -2.364 175.334 177.584 0.191 0.000 1.111 619 A CA -1.267 50.804 52.037 0.056 0.000 0.814 619 A CB -0.453 18.264 19.000 -0.473 0.000 1.093 619 A HN 0.434 nan 8.150 nan 0.000 0.498 620 P HA 0.091 nan 4.420 nan 0.000 0.268 620 P C 0.581 178.043 177.300 0.270 0.000 1.205 620 P CA -0.098 63.119 63.100 0.194 0.000 0.771 620 P CB 0.210 31.970 31.700 0.100 0.000 0.858 621 F N 3.770 123.936 119.950 0.360 0.000 2.039 621 F HA -0.370 4.157 4.527 -0.000 0.000 0.296 621 F C 1.728 177.554 175.800 0.043 0.000 1.119 621 F CA 2.101 60.285 58.000 0.307 0.000 1.211 621 F CB -0.558 38.603 39.000 0.268 0.000 0.956 621 F HN 0.273 nan 8.300 nan 0.000 0.496 622 D N -0.297 120.324 120.400 0.367 0.000 2.172 622 D HA -0.200 4.440 4.640 -0.000 0.000 0.196 622 D C 2.276 178.532 176.300 -0.072 0.000 0.999 622 D CA 2.055 56.176 54.000 0.201 0.000 0.856 622 D CB -0.771 40.176 40.800 0.246 0.000 0.934 622 D HN 0.390 nan 8.370 nan 0.000 0.453 623 T N -0.086 114.367 114.554 -0.169 0.000 2.720 623 T HA -0.185 4.165 4.350 -0.000 0.000 0.268 623 T C 1.712 176.141 174.700 -0.451 0.000 1.037 623 T CA 0.848 62.776 62.100 -0.287 0.000 1.144 623 T CB -0.466 68.190 68.868 -0.354 0.000 0.864 623 T HN 0.316 nan 8.240 nan 0.000 0.444 624 Y N 0.118 120.026 120.300 -0.653 0.000 2.483 624 Y HA -0.107 4.442 4.550 -0.000 0.000 0.291 624 Y C 2.288 177.678 175.900 -0.849 0.000 1.143 624 Y CA 0.965 58.462 58.100 -1.006 0.000 1.289 624 Y CB -0.283 36.897 38.460 -2.135 0.000 0.983 624 Y HN 0.478 nan 8.280 nan 0.000 0.556 625 H N -1.441 117.349 119.070 -0.467 0.000 2.525 625 H HA -0.016 4.540 4.556 -0.000 0.000 0.275 625 H C 1.747 177.012 175.328 -0.105 0.000 0.984 625 H CA 0.341 56.237 56.048 -0.253 0.000 1.264 625 H CB 0.493 30.139 29.762 -0.194 0.000 1.432 625 H HN 0.154 nan 8.280 nan 0.000 0.549 626 E N 0.405 120.615 120.200 0.017 0.000 2.385 626 E HA 0.047 4.397 4.350 -0.000 0.000 0.194 626 E C -0.009 176.594 176.600 0.005 0.000 1.013 626 E CA 0.216 56.633 56.400 0.028 0.000 0.866 626 E CB 0.804 30.511 29.700 0.012 0.000 0.832 626 E HN 0.133 nan 8.360 nan 0.000 0.500 627 V N 0.477 120.371 119.914 -0.033 0.000 3.019 627 V HA 0.353 4.473 4.120 -0.000 0.000 0.317 627 V C 0.059 176.165 176.094 0.019 0.000 1.094 627 V CA -0.889 61.401 62.300 -0.016 0.000 1.000 627 V CB 1.892 33.684 31.823 -0.053 0.000 1.060 627 V HN -0.132 nan 8.190 nan 0.000 0.443 628 R N 2.099 122.622 120.500 0.038 0.000 4.071 628 R HA 0.556 4.895 4.340 -0.000 0.000 0.220 628 R C 0.536 176.898 176.300 0.104 0.000 1.614 628 R CA 0.686 56.829 56.100 0.072 0.000 1.505 628 R CB 0.111 30.444 30.300 0.055 0.000 1.384 628 R HN 1.227 nan 8.270 nan 0.000 0.758 629 G N 0.559 109.444 108.800 0.141 0.000 2.785 629 G HA2 -0.226 3.734 3.960 -0.000 0.000 0.685 629 G HA3 -0.226 3.734 3.960 -0.000 0.000 0.685 629 G C -0.993 173.949 174.900 0.071 0.000 1.480 629 G CA -0.953 44.239 45.100 0.154 0.000 0.915 629 G HN 0.342 nan 8.290 nan 0.000 0.576 630 L N 1.197 122.499 121.223 0.131 0.000 2.493 630 L HA 0.407 4.747 4.340 -0.000 0.000 0.265 630 L C -0.395 176.565 176.870 0.149 0.000 0.954 630 L CA -1.319 53.590 54.840 0.115 0.000 0.844 630 L CB 2.397 44.546 42.059 0.151 0.000 1.302 630 L HN 0.805 nan 8.230 nan 0.000 0.405 631 H N 1.175 120.234 119.070 -0.019 0.000 2.722 631 H HA 0.165 4.721 4.556 -0.000 0.000 0.328 631 H C -0.573 174.731 175.328 -0.041 0.000 1.067 631 H CA -0.716 55.254 56.048 -0.130 0.000 1.447 631 H CB 0.322 29.908 29.762 -0.292 0.000 1.469 631 H HN 0.541 nan 8.280 nan 0.000 0.544 632 W N 2.257 123.619 121.300 0.104 0.000 2.303 632 W HA 0.372 5.032 4.660 -0.000 0.000 0.334 632 W C -2.616 173.907 176.519 0.006 0.000 1.197 632 W CA -3.022 54.370 57.345 0.079 0.000 1.262 632 W CB 0.371 29.891 29.460 0.100 0.000 1.153 632 W HN 0.431 nan 8.180 nan 0.000 0.596 633 P HA -0.063 nan 4.420 nan 0.000 0.242 633 P C -0.050 177.418 177.300 0.281 0.000 1.116 633 P CA 0.366 63.691 63.100 0.374 0.000 0.954 633 P CB -0.293 31.584 31.700 0.295 0.000 0.908 634 V N 5.593 125.670 119.914 0.271 0.000 2.339 634 V HA 0.109 4.229 4.120 -0.000 0.000 0.261 634 V C 0.608 176.793 176.094 0.152 0.000 1.058 634 V CA -0.466 61.948 62.300 0.190 0.000 0.897 634 V CB 1.094 33.023 31.823 0.177 0.000 1.052 634 V HN 0.205 nan 8.190 nan 0.000 0.480 635 V N 4.712 124.705 119.914 0.132 0.000 2.347 635 V HA 0.412 4.532 4.120 -0.000 0.000 0.280 635 V C 0.637 176.759 176.094 0.048 0.000 1.021 635 V CA -0.464 61.892 62.300 0.094 0.000 0.847 635 V CB 0.824 32.699 31.823 0.087 0.000 0.990 635 V HN 1.017 nan 8.190 nan 0.000 0.444 636 E N 3.675 123.895 120.200 0.033 0.000 2.416 636 E HA -0.243 4.107 4.350 -0.000 0.000 0.249 636 E C 1.169 177.778 176.600 0.015 0.000 1.124 636 E CA 0.565 56.975 56.400 0.017 0.000 0.732 636 E CB -1.262 28.441 29.700 0.005 0.000 1.286 636 E HN 1.502 nan 8.360 nan 0.000 0.394 637 G N 0.274 109.083 108.800 0.014 0.000 2.168 637 G HA2 -0.338 3.622 3.960 -0.000 0.000 0.257 637 G HA3 -0.338 3.622 3.960 -0.000 0.000 0.257 637 G C -0.079 174.825 174.900 0.007 0.000 0.997 637 G CA 0.893 45.989 45.100 -0.007 0.000 0.708 637 G HN 0.352 nan 8.290 nan 0.000 0.520 638 E N 0.885 121.105 120.200 0.033 0.000 2.165 638 E HA 0.331 4.681 4.350 -0.000 0.000 0.266 638 E C 0.485 177.128 176.600 0.073 0.000 0.889 638 E CA -0.542 55.887 56.400 0.048 0.000 0.756 638 E CB 1.119 30.846 29.700 0.046 0.000 1.131 638 E HN 0.763 nan 8.360 nan 0.000 0.411 639 E N 1.539 121.786 120.200 0.079 0.000 2.392 639 E HA 0.272 4.622 4.350 -0.000 0.000 0.256 639 E C -0.608 176.011 176.600 0.032 0.000 1.145 639 E CA -0.333 56.126 56.400 0.097 0.000 0.929 639 E CB 0.609 30.414 29.700 0.175 0.000 0.998 639 E HN 0.060 nan 8.360 nan 0.000 0.442 640 T N 1.732 116.265 114.554 -0.035 0.000 2.791 640 T HA 0.244 4.594 4.350 -0.000 0.000 0.288 640 T C 0.507 174.951 174.700 -0.427 0.000 0.999 640 T CA -0.693 61.333 62.100 -0.124 0.000 0.952 640 T CB 1.185 70.033 68.868 -0.033 0.000 0.938 640 T HN 0.437 nan 8.240 nan 0.000 0.444 641 R N 2.083 122.252 120.500 -0.552 0.000 2.052 641 R HA 0.102 4.442 4.340 -0.000 0.000 0.224 641 R C 0.320 176.012 176.300 -1.014 0.000 1.165 641 R CA 0.755 56.203 56.100 -1.087 0.000 0.939 641 R CB 0.221 29.652 30.300 -1.448 0.000 0.834 641 R HN 0.515 nan 8.270 nan 0.000 0.435 642 W N 2.284 123.356 121.300 -0.380 0.000 2.391 642 W HA 0.385 5.045 4.660 -0.000 0.000 0.311 642 W C 0.037 176.435 176.519 -0.201 0.000 1.087 642 W CA -0.705 56.447 57.345 -0.320 0.000 1.209 642 W CB 0.697 29.896 29.460 -0.435 0.000 1.273 642 W HN 0.062 nan 8.180 nan 0.000 0.482 643 R N 1.955 122.360 120.500 -0.159 0.000 2.457 643 R HA 0.268 4.608 4.340 -0.000 0.000 0.284 643 R C -0.633 175.468 176.300 -0.332 0.000 1.024 643 R CA -0.493 55.378 56.100 -0.382 0.000 1.025 643 R CB 0.756 30.514 30.300 -0.902 0.000 1.063 643 R HN 0.416 nan 8.270 nan 0.000 0.493 644 Y N -1.589 118.776 120.300 0.109 0.000 4.569 644 Y HA -0.259 4.291 4.550 -0.000 0.000 0.237 644 Y C -0.302 175.608 175.900 0.016 0.000 1.090 644 Y CA 0.138 58.244 58.100 0.010 0.000 2.052 644 Y CB -1.595 36.730 38.460 -0.224 0.000 1.621 644 Y HN 0.501 nan 8.280 nan 0.000 0.682 645 R N 1.416 122.060 120.500 0.239 0.000 2.513 645 R HA 0.339 4.679 4.340 -0.000 0.000 0.301 645 R C 0.132 176.528 176.300 0.160 0.000 0.968 645 R CA -0.811 55.406 56.100 0.196 0.000 0.872 645 R CB 1.756 32.245 30.300 0.316 0.000 1.177 645 R HN 0.479 nan 8.270 nan 0.000 0.444 646 E N 1.026 121.271 120.200 0.076 0.000 2.452 646 E HA 0.101 4.451 4.350 -0.000 0.000 0.261 646 E C 0.767 177.328 176.600 -0.065 0.000 0.987 646 E CA 1.280 57.695 56.400 0.024 0.000 0.926 646 E CB 0.352 30.053 29.700 0.002 0.000 0.934 646 E HN 0.774 nan 8.360 nan 0.000 0.452 647 G N 3.505 112.260 108.800 -0.075 0.000 2.383 647 G HA2 -0.331 3.629 3.960 -0.000 0.000 0.229 647 G HA3 -0.331 3.629 3.960 -0.000 0.000 0.229 647 G C 0.513 175.312 174.900 -0.169 0.000 1.089 647 G CA 0.276 45.259 45.100 -0.195 0.000 0.640 647 G HN 0.534 nan 8.290 nan 0.000 0.510 648 F N 1.568 121.568 119.950 0.083 0.000 2.274 648 F HA 0.389 4.916 4.527 -0.000 0.000 0.288 648 F C 1.232 177.101 175.800 0.114 0.000 1.069 648 F CA 0.427 58.508 58.000 0.136 0.000 1.343 648 F CB 0.129 39.264 39.000 0.225 0.000 1.089 648 F HN 0.134 nan 8.300 nan 0.000 0.517 649 D N 1.268 121.846 120.400 0.297 0.000 2.193 649 D HA 0.198 4.838 4.640 -0.000 0.000 0.244 649 D C -1.953 174.459 176.300 0.187 0.000 1.064 649 D CA -2.476 51.674 54.000 0.251 0.000 0.845 649 D CB 2.024 43.005 40.800 0.301 0.000 1.148 649 D HN -0.046 nan 8.370 nan 0.000 0.464 650 P HA -0.047 nan 4.420 nan 0.000 0.241 650 P C 0.608 177.803 177.300 -0.174 0.000 1.191 650 P CA 0.397 63.484 63.100 -0.022 0.000 0.771 650 P CB 0.120 31.777 31.700 -0.071 0.000 0.929 651 Y N -0.260 120.002 120.300 -0.063 0.000 2.490 651 Y HA 0.082 4.632 4.550 -0.000 0.000 0.281 651 Y C 1.121 176.886 175.900 -0.224 0.000 1.174 651 Y CA 0.084 58.016 58.100 -0.281 0.000 1.295 651 Y CB -0.003 38.031 38.460 -0.710 0.000 1.062 651 Y HN -0.279 nan 8.280 nan 0.000 0.522 652 V N 1.715 121.672 119.914 0.073 0.000 2.350 652 V HA 0.144 4.264 4.120 -0.000 0.000 0.276 652 V C -0.005 176.100 176.094 0.019 0.000 1.028 652 V CA -1.418 60.947 62.300 0.108 0.000 0.860 652 V CB 0.982 32.910 31.823 0.174 0.000 0.990 652 V HN 0.096 nan 8.190 nan 0.000 0.453 653 K N 6.086 126.488 120.400 0.003 0.000 2.382 653 K HA 0.168 4.488 4.320 -0.000 0.000 0.275 653 K C -1.557 175.038 176.600 -0.009 0.000 1.009 653 K CA -1.123 55.152 56.287 -0.021 0.000 0.970 653 K CB 0.508 32.997 32.500 -0.019 0.000 0.934 653 K HN 0.322 nan 8.250 nan 0.000 0.479 654 P HA -0.262 nan 4.420 nan 0.000 0.222 654 P C 0.393 177.687 177.300 -0.010 0.000 1.147 654 P CA 1.473 64.561 63.100 -0.020 0.000 0.958 654 P CB 0.008 31.692 31.700 -0.026 0.000 0.788 655 G N -1.022 107.775 108.800 -0.006 0.000 2.915 655 G HA2 0.154 4.114 3.960 -0.000 0.000 0.298 655 G HA3 0.154 4.114 3.960 -0.000 0.000 0.298 655 G C 0.257 175.164 174.900 0.013 0.000 0.837 655 G CA 0.018 45.119 45.100 0.001 0.000 1.752 655 G HN 0.244 nan 8.290 nan 0.000 0.526 656 E N 0.202 120.415 120.200 0.022 0.000 3.902 656 E HA 0.356 4.706 4.350 -0.000 0.000 0.247 656 E C 1.598 178.236 176.600 0.064 0.000 1.284 656 E CA 0.586 57.011 56.400 0.043 0.000 1.773 656 E CB 0.300 30.029 29.700 0.047 0.000 1.684 656 E HN 0.647 nan 8.360 nan 0.000 0.762 657 G N 0.906 109.734 108.800 0.047 0.000 4.240 657 G HA2 -0.209 3.751 3.960 -0.000 0.000 0.254 657 G HA3 -0.209 3.751 3.960 -0.000 0.000 0.254 657 G C -0.410 174.494 174.900 0.007 0.000 1.712 657 G CA 0.073 45.202 45.100 0.047 0.000 1.374 657 G HN 0.176 nan 8.290 nan 0.000 0.631 658 L N 0.314 121.500 121.223 -0.062 0.000 2.371 658 L HA 0.929 5.269 4.340 -0.000 0.000 0.262 658 L C -0.112 176.617 176.870 -0.235 0.000 1.006 658 L CA -0.769 53.905 54.840 -0.276 0.000 0.818 658 L CB 2.409 44.023 42.059 -0.742 0.000 1.354 658 L HN 0.743 nan 8.230 nan 0.000 0.415 659 R N 2.267 122.592 120.500 -0.291 0.000 3.146 659 R HA 0.256 4.596 4.340 -0.000 0.000 0.283 659 R C -1.772 174.388 176.300 -0.234 0.000 1.375 659 R CA -0.379 55.635 56.100 -0.144 0.000 1.029 659 R CB 0.146 30.504 30.300 0.097 0.000 1.375 659 R HN 0.329 nan 8.270 nan 0.000 0.380 660 F N 6.048 125.859 119.950 -0.232 0.000 2.670 660 F HA 0.090 4.617 4.527 -0.000 0.000 0.345 660 F C 0.938 176.490 175.800 -0.414 0.000 1.303 660 F CA -0.187 57.411 58.000 -0.670 0.000 1.172 660 F CB -0.360 38.378 39.000 -0.437 0.000 1.602 660 F HN 0.518 nan 8.300 nan 0.000 0.679 661 Y N -1.184 119.085 120.300 -0.052 0.000 2.749 661 Y HA 0.155 4.705 4.550 -0.000 0.000 0.321 661 Y C 1.593 177.533 175.900 0.067 0.000 1.195 661 Y CA -0.168 57.963 58.100 0.052 0.000 1.338 661 Y CB -1.184 37.348 38.460 0.120 0.000 1.017 661 Y HN 0.377 nan 8.280 nan 0.000 0.517 662 G N 0.368 109.163 108.800 -0.009 0.000 2.453 662 G HA2 -0.037 3.923 3.960 -0.000 0.000 0.215 662 G HA3 -0.037 3.923 3.960 -0.000 0.000 0.215 662 G C 0.812 175.768 174.900 0.092 0.000 1.147 662 G CA -0.197 44.954 45.100 0.085 0.000 0.802 662 G HN 0.060 nan 8.290 nan 0.000 0.535 663 K N 0.547 120.978 120.400 0.053 0.000 2.144 663 K HA 0.265 4.584 4.320 -0.000 0.000 0.270 663 K C -1.637 175.007 176.600 0.073 0.000 1.005 663 K CA -2.031 54.282 56.287 0.044 0.000 0.932 663 K CB 1.816 34.317 32.500 0.003 0.000 1.021 663 K HN -0.111 nan 8.250 nan 0.000 0.462 664 P HA -0.144 nan 4.420 nan 0.000 0.214 664 P C 0.569 177.902 177.300 0.056 0.000 1.162 664 P CA 1.200 64.338 63.100 0.063 0.000 0.879 664 P CB 0.172 31.900 31.700 0.045 0.000 0.786 665 D N -1.170 119.252 120.400 0.038 0.000 2.371 665 D HA -0.002 4.638 4.640 -0.000 0.000 0.221 665 D C 1.235 177.562 176.300 0.045 0.000 0.986 665 D CA 0.988 55.007 54.000 0.031 0.000 0.899 665 D CB -1.072 39.736 40.800 0.012 0.000 0.902 665 D HN 0.253 nan 8.370 nan 0.000 0.530 666 G N 0.830 109.669 108.800 0.065 0.000 2.246 666 G HA2 -0.306 3.654 3.960 -0.000 0.000 0.273 666 G HA3 -0.306 3.654 3.960 -0.000 0.000 0.273 666 G C -0.118 174.861 174.900 0.132 0.000 1.055 666 G CA -0.053 45.104 45.100 0.095 0.000 0.851 666 G HN 0.454 nan 8.290 nan 0.000 0.500 667 R N -0.461 120.093 120.500 0.090 0.000 2.621 667 R HA 0.707 5.047 4.340 -0.000 0.000 0.292 667 R C 0.200 176.456 176.300 -0.074 0.000 0.969 667 R CA -0.184 55.959 56.100 0.073 0.000 0.887 667 R CB 1.895 32.181 30.300 -0.023 0.000 1.180 667 R HN 0.510 nan 8.270 nan 0.000 0.450 668 A N 2.608 125.288 122.820 -0.233 0.000 2.327 668 A HA 0.426 4.746 4.320 -0.000 0.000 0.283 668 A C 0.116 177.376 177.584 -0.540 0.000 1.127 668 A CA -0.532 51.096 52.037 -0.682 0.000 0.810 668 A CB 0.779 18.981 19.000 -1.329 0.000 1.066 668 A HN 0.444 nan 8.150 nan 0.000 0.492 669 V N 3.076 122.665 119.914 -0.541 0.000 2.649 669 V HA 0.228 4.348 4.120 -0.000 0.000 0.292 669 V C 0.183 175.981 176.094 -0.493 0.000 1.055 669 V CA 0.110 62.146 62.300 -0.440 0.000 1.023 669 V CB 0.965 32.603 31.823 -0.307 0.000 0.992 669 V HN 0.662 nan 8.190 nan 0.000 0.480 670 I N 5.099 125.312 120.570 -0.595 0.000 2.382 670 I HA 0.313 4.483 4.170 -0.000 0.000 0.286 670 I C -0.715 175.114 176.117 -0.480 0.000 1.002 670 I CA -0.590 60.313 61.300 -0.663 0.000 1.135 670 I CB 1.646 38.922 38.000 -1.206 0.000 1.288 670 I HN 0.397 nan 8.210 nan 0.000 0.448 671 L N 6.115 127.140 121.223 -0.330 0.000 2.276 671 L HA 0.539 4.879 4.340 -0.000 0.000 0.286 671 L C 0.532 177.395 176.870 -0.012 0.000 1.061 671 L CA 0.069 54.750 54.840 -0.265 0.000 0.807 671 L CB 1.418 43.153 42.059 -0.540 0.000 1.177 671 L HN 0.585 nan 8.230 nan 0.000 0.429 672 G N 4.639 113.498 108.800 0.099 0.000 2.393 672 G HA2 0.521 4.481 3.960 -0.000 0.000 0.311 672 G HA3 0.521 4.481 3.960 -0.000 0.000 0.311 672 G C -1.122 173.692 174.900 -0.143 0.000 1.067 672 G CA -0.184 45.051 45.100 0.226 0.000 1.000 672 G HN 0.479 nan 8.290 nan 0.000 0.422 673 V N 4.908 124.667 119.914 -0.259 0.000 2.962 673 V HA 0.739 4.859 4.120 -0.000 0.000 0.313 673 V C -2.192 173.671 176.094 -0.384 0.000 1.099 673 V CA -1.672 60.268 62.300 -0.600 0.000 0.971 673 V CB 3.488 34.675 31.823 -1.060 0.000 1.028 673 V HN 0.697 nan 8.190 nan 0.000 0.430 674 P HA 0.298 nan 4.420 nan 0.000 0.299 674 P C -1.446 175.975 177.300 0.201 0.000 1.323 674 P CA -0.582 62.536 63.100 0.031 0.000 0.896 674 P CB 1.186 32.924 31.700 0.063 0.000 1.081 675 Y N 1.936 122.356 120.300 0.201 0.000 2.683 675 Y HA 0.175 4.725 4.550 -0.000 0.000 0.340 675 Y C 0.031 176.117 175.900 0.310 0.000 1.245 675 Y CA 0.841 59.068 58.100 0.211 0.000 1.485 675 Y CB 0.526 39.095 38.460 0.182 0.000 1.328 675 Y HN 0.460 nan 8.280 nan 0.000 0.603 676 E N 6.076 125.742 120.200 -0.890 0.000 2.446 676 E HA 0.488 4.838 4.350 -0.000 0.000 0.276 676 E C -2.794 173.241 176.600 -0.942 0.000 0.969 676 E CA -2.435 53.550 56.400 -0.691 0.000 0.800 676 E CB 2.528 32.124 29.700 -0.174 0.000 1.341 676 E HN 0.432 nan 8.360 nan 0.000 0.460 677 P HA 0.343 nan 4.420 nan 0.000 0.283 677 P C -2.728 174.690 177.300 0.197 0.000 1.271 677 P CA -1.794 61.321 63.100 0.024 0.000 0.841 677 P CB 0.766 32.565 31.700 0.165 0.000 1.122 678 P HA 0.035 nan 4.420 nan 0.000 0.272 678 P C 0.708 177.952 177.300 -0.093 0.000 1.230 678 P CA 0.008 63.204 63.100 0.160 0.000 0.788 678 P CB 0.369 32.204 31.700 0.224 0.000 0.949 679 A N 1.748 124.409 122.820 -0.265 0.000 1.908 679 A HA -0.176 4.144 4.320 -0.000 0.000 0.218 679 A C 1.042 178.397 177.584 -0.383 0.000 1.181 679 A CA 1.547 53.156 52.037 -0.713 0.000 0.627 679 A CB -0.692 18.068 19.000 -0.399 0.000 0.818 679 A HN 0.714 nan 8.150 nan 0.000 0.445 680 E N -0.314 119.793 120.200 -0.155 0.000 2.241 680 E HA 0.523 4.873 4.350 -0.000 0.000 0.263 680 E C -1.298 175.272 176.600 -0.050 0.000 0.882 680 E CA -0.405 55.927 56.400 -0.113 0.000 0.769 680 E CB 1.412 31.040 29.700 -0.120 0.000 1.185 680 E HN 0.257 nan 8.360 nan 0.000 0.415 681 S N 4.088 119.708 115.700 -0.133 0.000 2.621 681 S HA 0.575 5.045 4.470 -0.000 0.000 0.302 681 S C -2.520 171.811 174.600 -0.448 0.000 1.093 681 S CA -1.337 56.657 58.200 -0.344 0.000 1.017 681 S CB 1.515 64.642 63.200 -0.121 0.000 1.077 681 S HN 0.508 nan 8.310 nan 0.000 0.517 682 P HA 0.169 nan 4.420 nan 0.000 0.266 682 P C -0.660 176.499 177.300 -0.234 0.000 1.195 682 P CA 0.100 62.925 63.100 -0.459 0.000 0.768 682 P CB 0.481 31.799 31.700 -0.636 0.000 0.838 683 D N 1.153 121.498 120.400 -0.092 0.000 2.577 683 D HA 0.106 4.746 4.640 -0.000 0.000 0.248 683 D C 0.970 177.243 176.300 -0.045 0.000 1.181 683 D CA -0.428 53.554 54.000 -0.030 0.000 1.083 683 D CB 0.879 41.722 40.800 0.072 0.000 1.198 683 D HN 0.419 nan 8.370 nan 0.000 0.626 684 E N 0.113 120.297 120.200 -0.027 0.000 2.166 684 E HA -0.082 4.268 4.350 -0.000 0.000 0.192 684 E C 1.540 178.086 176.600 -0.090 0.000 0.967 684 E CA 0.307 56.670 56.400 -0.061 0.000 0.840 684 E CB 0.426 30.098 29.700 -0.047 0.000 0.795 684 E HN 0.368 nan 8.360 nan 0.000 0.470 685 E N -0.465 119.690 120.200 -0.075 0.000 2.028 685 E HA -0.087 4.263 4.350 -0.000 0.000 0.190 685 E C -0.315 176.037 176.600 -0.413 0.000 0.984 685 E CA 0.646 56.887 56.400 -0.266 0.000 0.800 685 E CB 0.133 29.658 29.700 -0.292 0.000 0.758 685 E HN 0.082 nan 8.360 nan 0.000 0.448 686 F N 0.208 120.120 119.950 -0.065 0.000 2.300 686 F HA 0.363 4.890 4.527 -0.000 0.000 0.364 686 F C 1.038 176.769 175.800 -0.116 0.000 1.090 686 F CA -0.447 57.521 58.000 -0.054 0.000 1.200 686 F CB 1.359 40.331 39.000 -0.046 0.000 1.493 686 F HN 0.012 nan 8.300 nan 0.000 0.518 687 G N 1.515 110.283 108.800 -0.053 0.000 2.572 687 G HA2 -0.050 3.910 3.960 -0.000 0.000 0.216 687 G HA3 -0.050 3.910 3.960 -0.000 0.000 0.216 687 G C 0.316 175.035 174.900 -0.301 0.000 1.133 687 G CA 0.176 45.140 45.100 -0.228 0.000 0.791 687 G HN 0.319 nan 8.290 nan 0.000 0.538 688 F N -1.112 118.821 119.950 -0.028 0.000 2.397 688 F HA 0.505 5.032 4.527 -0.000 0.000 0.331 688 F C -0.002 175.807 175.800 0.015 0.000 1.090 688 F CA -1.402 56.608 58.000 0.016 0.000 1.065 688 F CB 1.197 40.245 39.000 0.080 0.000 1.184 688 F HN -0.037 nan 8.300 nan 0.000 0.499 689 W N 4.418 125.903 121.300 0.309 0.000 2.316 689 W HA 0.431 5.090 4.660 -0.000 0.000 0.311 689 W C -0.709 175.916 176.519 0.177 0.000 1.217 689 W CA -0.740 56.722 57.345 0.196 0.000 1.199 689 W CB 1.047 30.609 29.460 0.170 0.000 1.202 689 W HN 0.118 nan 8.180 nan 0.000 0.528 690 L N 6.499 127.980 121.223 0.430 0.000 2.272 690 L HA 0.466 4.806 4.340 -0.000 0.000 0.284 690 L C -0.635 176.372 176.870 0.227 0.000 1.045 690 L CA -0.578 54.411 54.840 0.249 0.000 0.842 690 L CB 0.160 42.311 42.059 0.153 0.000 1.224 690 L HN 0.118 nan 8.230 nan 0.000 0.430 691 V N 3.819 123.866 119.914 0.222 0.000 2.567 691 V HA 0.575 4.695 4.120 -0.000 0.000 0.289 691 V C 0.504 176.650 176.094 0.087 0.000 1.049 691 V CA -0.360 62.096 62.300 0.259 0.000 0.969 691 V CB 1.500 33.593 31.823 0.450 0.000 0.995 691 V HN 0.797 nan 8.190 nan 0.000 0.471 692 T N 2.907 117.514 114.554 0.089 0.000 2.886 692 T HA 0.788 5.138 4.350 -0.000 0.000 0.292 692 T C 0.264 174.995 174.700 0.052 0.000 1.012 692 T CA 0.308 62.324 62.100 -0.139 0.000 0.982 692 T CB 1.742 70.575 68.868 -0.058 0.000 1.018 692 T HN 1.110 nan 8.240 nan 0.000 0.451 693 G N 2.529 111.295 108.800 -0.056 0.000 2.791 693 G HA2 0.644 4.604 3.960 -0.000 0.000 0.158 693 G HA3 0.644 4.604 3.960 -0.000 0.000 0.158 693 G C -1.346 173.827 174.900 0.456 0.000 1.193 693 G CA -0.615 44.744 45.100 0.432 0.000 1.032 693 G HN 0.629 nan 8.290 nan 0.000 0.557 694 R N -1.977 118.808 120.500 0.476 0.000 2.922 694 R HA 0.807 5.146 4.340 -0.000 0.000 0.256 694 R C -1.548 174.862 176.300 0.183 0.000 1.138 694 R CA -0.682 55.554 56.100 0.226 0.000 0.995 694 R CB 2.255 32.606 30.300 0.086 0.000 1.226 694 R HN 0.359 nan 8.270 nan 0.000 0.481 695 V N 1.442 121.344 119.914 -0.021 0.000 2.841 695 V HA 0.114 4.234 4.120 -0.000 0.000 0.310 695 V C 0.673 176.639 176.094 -0.213 0.000 1.090 695 V CA -0.612 61.611 62.300 -0.128 0.000 0.930 695 V CB 2.009 33.617 31.823 -0.357 0.000 1.014 695 V HN 0.715 nan 8.190 nan 0.000 0.425 696 L N 3.948 125.069 121.223 -0.171 0.000 2.010 696 L HA -0.216 4.124 4.340 -0.000 0.000 0.219 696 L C 2.022 178.731 176.870 -0.268 0.000 1.077 696 L CA 2.532 57.263 54.840 -0.181 0.000 0.773 696 L CB -0.281 41.707 42.059 -0.119 0.000 0.892 696 L HN 0.868 nan 8.230 nan 0.000 0.436 697 E N -1.227 118.760 120.200 -0.355 0.000 2.338 697 E HA -0.037 4.313 4.350 -0.000 0.000 0.197 697 E C -0.029 176.066 176.600 -0.842 0.000 1.007 697 E CA 0.748 56.819 56.400 -0.547 0.000 0.849 697 E CB -0.092 29.258 29.700 -0.583 0.000 0.774 697 E HN 0.550 nan 8.360 nan 0.000 0.506 698 H N -1.338 117.437 119.070 -0.491 0.000 2.637 698 H HA 0.159 4.715 4.556 -0.000 0.000 0.363 698 H C -1.108 173.966 175.328 -0.423 0.000 1.131 698 H CA -0.885 54.844 56.048 -0.533 0.000 1.183 698 H CB 0.967 30.191 29.762 -0.897 0.000 1.637 698 H HN 0.155 nan 8.280 nan 0.000 0.531 699 W N 5.443 126.481 121.300 -0.436 0.000 2.314 699 W HA 0.141 4.801 4.660 -0.000 0.000 0.310 699 W C -0.261 176.029 176.519 -0.382 0.000 1.075 699 W CA -0.180 56.847 57.345 -0.530 0.000 1.253 699 W CB 0.164 29.205 29.460 -0.698 0.000 1.238 699 W HN 0.840 nan 8.180 nan 0.000 0.440 700 H N 1.781 120.296 119.070 -0.925 0.000 1.452 700 H HA -0.301 4.255 4.556 -0.000 0.000 0.090 700 H C 1.831 176.450 175.328 -1.182 0.000 1.097 700 H CA 2.382 57.703 56.048 -1.212 0.000 1.901 700 H CB -1.633 27.674 29.762 -0.760 0.000 2.257 700 H HN 0.415 nan 8.280 nan 0.000 0.961 701 S N 1.348 116.810 115.700 -0.397 0.000 2.555 701 S HA 0.163 4.633 4.470 -0.000 0.000 0.230 701 S C 1.717 176.268 174.600 -0.081 0.000 0.978 701 S CA 1.555 59.655 58.200 -0.167 0.000 0.934 701 S CB -0.127 63.112 63.200 0.066 0.000 0.766 701 S HN 1.035 nan 8.310 nan 0.000 0.533 702 G N 1.367 110.125 108.800 -0.069 0.000 2.175 702 G HA2 -0.347 3.613 3.960 -0.000 0.000 0.265 702 G HA3 -0.347 3.613 3.960 -0.000 0.000 0.265 702 G C 0.931 175.832 174.900 0.001 0.000 0.979 702 G CA 0.730 45.804 45.100 -0.044 0.000 0.663 702 G HN 0.656 nan 8.290 nan 0.000 0.533 703 S N -0.701 115.034 115.700 0.059 0.000 2.442 703 S HA 0.044 4.514 4.470 -0.000 0.000 0.236 703 S C 2.172 176.759 174.600 -0.022 0.000 1.007 703 S CA 1.728 59.951 58.200 0.039 0.000 0.965 703 S CB -0.137 63.169 63.200 0.177 0.000 0.773 703 S HN 0.599 nan 8.310 nan 0.000 0.504 704 M N 1.045 120.709 119.600 0.107 0.000 2.858 704 M HA 0.035 4.515 4.480 -0.000 0.000 0.255 704 M C 2.582 178.932 176.300 0.083 0.000 1.336 704 M CA 1.332 56.704 55.300 0.121 0.000 1.220 704 M CB -0.565 32.185 32.600 0.249 0.000 1.252 704 M HN 0.464 nan 8.290 nan 0.000 0.538 705 T N -0.395 114.234 114.554 0.126 0.000 2.951 705 T HA 0.041 4.391 4.350 -0.000 0.000 0.268 705 T C 1.618 176.398 174.700 0.133 0.000 1.073 705 T CA 0.748 62.910 62.100 0.103 0.000 1.134 705 T CB -0.545 68.358 68.868 0.058 0.000 0.884 705 T HN 0.264 nan 8.240 nan 0.000 0.479 706 L N 0.038 121.310 121.223 0.082 0.000 2.622 706 L HA 0.199 4.539 4.340 -0.000 0.000 0.233 706 L C 2.800 179.630 176.870 -0.067 0.000 1.156 706 L CA 0.623 55.496 54.840 0.055 0.000 0.866 706 L CB -0.229 41.794 42.059 -0.061 0.000 0.980 706 L HN 0.220 nan 8.230 nan 0.000 0.448 707 R N -1.530 118.912 120.500 -0.097 0.000 2.282 707 R HA 0.023 4.363 4.340 -0.000 0.000 0.195 707 R C 0.648 176.908 176.300 -0.066 0.000 0.909 707 R CA 0.235 56.242 56.100 -0.156 0.000 1.039 707 R CB 0.030 30.146 30.300 -0.306 0.000 1.015 707 R HN 0.324 nan 8.270 nan 0.000 0.513 708 W N 2.809 124.093 121.300 -0.027 0.000 2.388 708 W HA 0.253 4.913 4.660 -0.000 0.000 0.308 708 W C -2.117 174.360 176.519 -0.071 0.000 1.263 708 W CA -2.613 54.705 57.345 -0.046 0.000 1.286 708 W CB -0.118 29.305 29.460 -0.061 0.000 1.294 708 W HN -0.072 nan 8.180 nan 0.000 0.493 709 P HA -0.301 nan 4.420 nan 0.000 0.215 709 P C 1.670 178.923 177.300 -0.078 0.000 1.163 709 P CA 3.221 66.310 63.100 -0.018 0.000 0.894 709 P CB 0.233 31.920 31.700 -0.022 0.000 0.791 710 E N -0.341 119.692 120.200 -0.279 0.000 2.204 710 E HA -0.119 4.231 4.350 -0.000 0.000 0.195 710 E C 2.153 178.581 176.600 -0.287 0.000 0.990 710 E CA 1.014 57.217 56.400 -0.327 0.000 0.821 710 E CB -1.170 28.191 29.700 -0.565 0.000 0.750 710 E HN 0.339 nan 8.360 nan 0.000 0.477 711 L N -0.191 120.842 121.223 -0.316 0.000 2.095 711 L HA -0.101 4.239 4.340 -0.000 0.000 0.204 711 L C 2.676 179.472 176.870 -0.124 0.000 1.080 711 L CA 1.015 55.692 54.840 -0.273 0.000 0.759 711 L CB -0.590 41.290 42.059 -0.299 0.000 0.914 711 L HN 0.035 nan 8.230 nan 0.000 0.439 712 Y N 1.559 121.828 120.300 -0.050 0.000 2.070 712 Y HA -0.289 4.261 4.550 -0.000 0.000 0.280 712 Y C 2.564 178.501 175.900 0.061 0.000 1.148 712 Y CA 1.570 59.721 58.100 0.086 0.000 1.125 712 Y CB -0.324 38.155 38.460 0.031 0.000 0.975 712 Y HN -0.052 nan 8.280 nan 0.000 0.492 713 K N 0.046 120.313 120.400 -0.223 0.000 2.127 713 K HA -0.231 4.089 4.320 -0.000 0.000 0.208 713 K C 2.272 178.742 176.600 -0.216 0.000 1.047 713 K CA 1.356 57.479 56.287 -0.273 0.000 0.927 713 K CB -0.494 31.942 32.500 -0.107 0.000 0.716 713 K HN 0.464 nan 8.250 nan 0.000 0.450 714 A N 0.085 122.819 122.820 -0.143 0.000 2.019 714 A HA -0.095 4.225 4.320 -0.000 0.000 0.219 714 A C 0.879 178.457 177.584 -0.011 0.000 1.164 714 A CA 0.954 52.940 52.037 -0.085 0.000 0.644 714 A CB -0.060 18.888 19.000 -0.087 0.000 0.805 714 A HN 0.374 nan 8.150 nan 0.000 0.449 715 F N -0.814 119.036 119.950 -0.166 0.000 3.181 715 F HA 0.224 4.751 4.527 -0.000 0.000 0.418 715 F C -2.116 173.683 175.800 -0.002 0.000 1.117 715 F CA -1.305 56.663 58.000 -0.053 0.000 1.255 715 F CB 1.330 40.310 39.000 -0.033 0.000 2.615 715 F HN -0.019 nan 8.300 nan 0.000 0.640 716 P HA -0.053 nan 4.420 nan 0.000 0.215 716 P C 0.608 178.085 177.300 0.294 0.000 1.163 716 P CA 1.538 64.453 63.100 -0.309 0.000 0.894 716 P CB 0.599 31.987 31.700 -0.519 0.000 0.791 717 G N -1.721 107.293 108.800 0.357 0.000 2.680 717 G HA2 0.588 4.548 3.960 -0.000 0.000 0.290 717 G HA3 0.588 4.548 3.960 -0.000 0.000 0.290 717 G C -1.101 174.022 174.900 0.373 0.000 1.355 717 G CA -0.166 45.144 45.100 0.351 0.000 0.903 717 G HN 0.272 nan 8.290 nan 0.000 0.474 718 A N -0.917 121.843 122.820 -0.101 0.000 2.492 718 A HA 0.597 4.916 4.320 -0.000 0.000 0.236 718 A C 0.111 177.694 177.584 -0.001 0.000 1.078 718 A CA 0.253 52.160 52.037 -0.217 0.000 0.773 718 A CB 0.237 18.924 19.000 -0.522 0.000 1.023 718 A HN 1.619 nan 8.150 nan 0.000 0.504 719 V N -0.542 119.380 119.914 0.014 0.000 3.120 719 V HA 0.435 4.555 4.120 -0.000 0.000 0.303 719 V C -0.345 175.644 176.094 -0.174 0.000 1.238 719 V CA -0.954 61.275 62.300 -0.119 0.000 1.008 719 V CB 1.141 32.816 31.823 -0.247 0.000 1.064 719 V HN 1.203 nan 8.190 nan 0.000 0.434 720 C N 3.813 122.995 119.300 -0.198 0.000 2.265 720 C HA 0.719 5.179 4.460 -0.000 0.000 0.332 720 C C -0.167 174.721 174.990 -0.170 0.000 1.248 720 C CA -0.442 58.499 59.018 -0.128 0.000 1.727 720 C CB -1.420 26.249 27.740 -0.118 0.000 2.348 720 C HN 0.616 nan 8.230 nan 0.000 0.519 721 F N 6.853 126.817 119.950 0.023 0.000 2.420 721 F HA 0.519 5.046 4.527 -0.000 0.000 0.352 721 F C 0.560 176.340 175.800 -0.033 0.000 1.108 721 F CA 0.162 58.170 58.000 0.012 0.000 1.162 721 F CB 0.787 39.803 39.000 0.026 0.000 1.118 721 F HN 0.534 nan 8.300 nan 0.000 0.510 722 M N 2.332 121.995 119.600 0.105 0.000 2.704 722 M HA 0.385 4.865 4.480 -0.000 0.000 0.284 722 M C -1.335 175.043 176.300 0.128 0.000 1.275 722 M CA -0.875 54.466 55.300 0.067 0.000 0.811 722 M CB 2.188 34.766 32.600 -0.037 0.000 1.741 722 M HN 0.685 nan 8.290 nan 0.000 0.458 723 H N 2.138 121.265 119.070 0.095 0.000 2.652 723 H HA 0.280 4.836 4.556 -0.000 0.000 0.349 723 H C -1.879 173.496 175.328 0.079 0.000 1.099 723 H CA -0.625 55.484 56.048 0.103 0.000 1.417 723 H CB 1.068 30.911 29.762 0.135 0.000 1.457 723 H HN 0.252 nan 8.280 nan 0.000 0.568 724 P HA -0.192 nan 4.420 nan 0.000 0.219 724 P C 0.881 178.273 177.300 0.153 0.000 1.146 724 P CA 1.353 64.448 63.100 -0.009 0.000 0.808 724 P CB 0.418 32.054 31.700 -0.108 0.000 0.779 725 E N -0.427 120.031 120.200 0.429 0.000 2.216 725 E HA -0.083 4.267 4.350 -0.000 0.000 0.192 725 E C 1.193 177.925 176.600 0.220 0.000 0.973 725 E CA 0.266 56.847 56.400 0.301 0.000 0.851 725 E CB -0.081 29.789 29.700 0.283 0.000 0.804 725 E HN 0.038 nan 8.360 nan 0.000 0.477 726 D N 0.185 120.752 120.400 0.278 0.000 2.351 726 D HA -0.088 4.552 4.640 -0.000 0.000 0.216 726 D C 1.251 177.681 176.300 0.216 0.000 0.968 726 D CA 0.715 54.863 54.000 0.246 0.000 0.899 726 D CB 0.191 41.222 40.800 0.384 0.000 0.907 726 D HN 0.209 nan 8.370 nan 0.000 0.514 727 A N 0.196 123.113 122.820 0.162 0.000 1.887 727 A HA 0.020 4.340 4.320 -0.000 0.000 0.210 727 A C 2.092 179.722 177.584 0.077 0.000 1.221 727 A CA 0.290 52.386 52.037 0.098 0.000 0.635 727 A CB -0.102 18.935 19.000 0.062 0.000 0.881 727 A HN 0.024 nan 8.150 nan 0.000 0.456 728 R N 0.919 121.464 120.500 0.076 0.000 2.133 728 R HA -0.213 4.127 4.340 -0.000 0.000 0.245 728 R C 2.611 178.941 176.300 0.050 0.000 1.137 728 R CA 2.159 58.292 56.100 0.055 0.000 0.947 728 R CB -0.787 29.547 30.300 0.057 0.000 0.865 728 R HN 0.678 nan 8.270 nan 0.000 0.437 729 S N 1.085 116.821 115.700 0.061 0.000 2.368 729 S HA -0.229 4.241 4.470 -0.000 0.000 0.226 729 S C 1.904 176.529 174.600 0.042 0.000 1.044 729 S CA 1.501 59.729 58.200 0.047 0.000 1.062 729 S CB -0.277 62.952 63.200 0.048 0.000 0.931 729 S HN 0.273 nan 8.310 nan 0.000 0.440 730 R N 1.155 121.690 120.500 0.059 0.000 2.328 730 R HA 0.290 4.630 4.340 -0.000 0.000 0.200 730 R C 1.460 177.780 176.300 0.033 0.000 0.983 730 R CA 0.538 56.669 56.100 0.051 0.000 1.062 730 R CB -0.564 29.784 30.300 0.080 0.000 0.956 730 R HN 0.710 nan 8.270 nan 0.000 0.479 731 G N 0.259 109.077 108.800 0.030 0.000 2.176 731 G HA2 -0.235 3.725 3.960 -0.000 0.000 0.252 731 G HA3 -0.235 3.725 3.960 -0.000 0.000 0.252 731 G C -0.390 174.518 174.900 0.014 0.000 1.024 731 G CA -0.236 44.875 45.100 0.018 0.000 0.755 731 G HN 0.048 nan 8.290 nan 0.000 0.507 732 L N 0.193 121.428 121.223 0.020 0.000 2.334 732 L HA 0.591 4.931 4.340 -0.000 0.000 0.275 732 L C 0.558 177.431 176.870 0.006 0.000 1.036 732 L CA -1.064 53.781 54.840 0.009 0.000 0.807 732 L CB 1.298 43.363 42.059 0.010 0.000 1.231 732 L HN 0.411 nan 8.230 nan 0.000 0.438 733 N N 0.757 119.452 118.700 -0.007 0.000 2.890 733 N HA 0.525 5.265 4.740 -0.000 0.000 0.317 733 N C -0.777 174.717 175.510 -0.026 0.000 1.355 733 N CA -1.080 51.963 53.050 -0.012 0.000 0.803 733 N CB 1.428 39.907 38.487 -0.014 0.000 1.465 733 N HN 0.376 nan 8.380 nan 0.000 0.591 734 R N 0.157 120.637 120.500 -0.033 0.000 2.401 734 R HA 0.247 4.587 4.340 -0.000 0.000 0.299 734 R C 0.426 176.691 176.300 -0.058 0.000 1.064 734 R CA 1.008 57.077 56.100 -0.052 0.000 1.000 734 R CB -0.259 30.009 30.300 -0.053 0.000 0.973 734 R HN 0.919 nan 8.270 nan 0.000 0.438 735 G N 2.287 111.043 108.800 -0.073 0.000 2.238 735 G HA2 -0.246 3.713 3.960 -0.000 0.000 0.217 735 G HA3 -0.246 3.713 3.960 -0.000 0.000 0.217 735 G C -0.159 174.706 174.900 -0.060 0.000 0.996 735 G CA 0.045 45.103 45.100 -0.071 0.000 0.632 735 G HN 0.630 nan 8.290 nan 0.000 0.503 736 S N 0.733 116.402 115.700 -0.052 0.000 2.558 736 S HA 0.330 4.800 4.470 -0.000 0.000 0.288 736 S C 0.308 174.878 174.600 -0.050 0.000 1.318 736 S CA 0.090 58.264 58.200 -0.043 0.000 1.056 736 S CB 1.518 64.698 63.200 -0.035 0.000 0.853 736 S HN 0.433 nan 8.310 nan 0.000 0.505 737 E N 2.290 122.465 120.200 -0.042 0.000 1.996 737 E HA 0.301 4.651 4.350 -0.000 0.000 0.280 737 E C -0.182 176.393 176.600 -0.042 0.000 1.092 737 E CA -0.524 55.850 56.400 -0.044 0.000 0.862 737 E CB 0.321 29.999 29.700 -0.036 0.000 1.066 737 E HN 0.505 nan 8.360 nan 0.000 0.396 738 V N 1.685 121.568 119.914 -0.051 0.000 2.966 738 V HA 0.589 4.709 4.120 -0.000 0.000 0.317 738 V C -0.024 176.044 176.094 -0.044 0.000 1.070 738 V CA -1.007 61.264 62.300 -0.047 0.000 1.008 738 V CB 1.722 33.507 31.823 -0.064 0.000 1.070 738 V HN 0.533 nan 8.190 nan 0.000 0.457 739 R N 1.079 121.559 120.500 -0.033 0.000 2.337 739 R HA 0.648 4.988 4.340 -0.000 0.000 0.319 739 R C -1.386 174.905 176.300 -0.015 0.000 0.954 739 R CA -0.517 55.569 56.100 -0.023 0.000 0.840 739 R CB 1.869 32.162 30.300 -0.012 0.000 1.164 739 R HN 0.726 nan 8.270 nan 0.000 0.472 740 V N 6.619 126.520 119.914 -0.021 0.000 2.408 740 V HA 0.311 4.431 4.120 -0.000 0.000 0.267 740 V C 0.220 176.333 176.094 0.031 0.000 1.047 740 V CA -0.102 62.194 62.300 -0.006 0.000 0.937 740 V CB 0.832 32.636 31.823 -0.032 0.000 0.999 740 V HN 0.608 nan 8.190 nan 0.000 0.472 741 I N 3.936 124.556 120.570 0.083 0.000 2.530 741 I HA 0.629 4.799 4.170 -0.000 0.000 0.297 741 I C 0.189 176.453 176.117 0.244 0.000 1.011 741 I CA -0.071 61.309 61.300 0.133 0.000 1.107 741 I CB 2.204 40.279 38.000 0.124 0.000 1.285 741 I HN 0.524 nan 8.210 nan 0.000 0.436 742 S N 2.516 118.328 115.700 0.188 0.000 2.732 742 S HA 0.453 4.923 4.470 -0.000 0.000 0.293 742 S C 0.657 175.277 174.600 0.034 0.000 1.159 742 S CA -0.810 57.432 58.200 0.070 0.000 0.847 742 S CB 2.017 65.190 63.200 -0.044 0.000 1.169 742 S HN 0.561 nan 8.310 nan 0.000 0.501 743 R N 0.395 120.753 120.500 -0.238 0.000 2.316 743 R HA 0.094 4.434 4.340 -0.000 0.000 0.202 743 R C 1.279 177.558 176.300 -0.035 0.000 1.029 743 R CA 0.854 56.885 56.100 -0.116 0.000 1.018 743 R CB -0.036 30.127 30.300 -0.228 0.000 0.888 743 R HN 0.374 nan 8.270 nan 0.000 0.471 744 R N -0.498 119.978 120.500 -0.040 0.000 2.287 744 R HA 0.205 4.545 4.340 -0.000 0.000 0.197 744 R C 0.708 177.005 176.300 -0.005 0.000 0.900 744 R CA 0.467 56.555 56.100 -0.019 0.000 1.052 744 R CB 1.307 31.586 30.300 -0.035 0.000 1.117 744 R HN 0.172 nan 8.270 nan 0.000 0.568 745 G N 0.052 108.855 108.800 0.005 0.000 2.441 745 G HA2 0.344 4.304 3.960 -0.000 0.000 0.294 745 G HA3 0.344 4.304 3.960 -0.000 0.000 0.294 745 G C -1.818 173.092 174.900 0.016 0.000 1.393 745 G CA -0.753 44.350 45.100 0.005 0.000 0.796 745 G HN 0.015 nan 8.290 nan 0.000 0.494 746 E N -1.066 119.135 120.200 0.001 0.000 2.393 746 E HA 0.727 5.077 4.350 -0.000 0.000 0.273 746 E C -0.894 175.693 176.600 -0.022 0.000 0.918 746 E CA -0.738 55.662 56.400 0.000 0.000 0.773 746 E CB 2.997 32.700 29.700 0.004 0.000 1.275 746 E HN 0.450 nan 8.360 nan 0.000 0.451 747 I N 0.540 121.094 120.570 -0.027 0.000 3.074 747 I HA 0.475 4.645 4.170 -0.000 0.000 0.310 747 I C -0.761 175.330 176.117 -0.043 0.000 1.153 747 I CA -1.046 60.228 61.300 -0.043 0.000 0.993 747 I CB 2.291 40.257 38.000 -0.056 0.000 1.237 747 I HN 0.226 nan 8.210 nan 0.000 0.443 748 R N 2.121 122.591 120.500 -0.050 0.000 2.388 748 R HA 0.525 4.864 4.340 -0.000 0.000 0.314 748 R C -0.965 175.298 176.300 -0.063 0.000 0.959 748 R CA -0.497 55.573 56.100 -0.050 0.000 0.851 748 R CB 2.048 32.322 30.300 -0.042 0.000 1.168 748 R HN 0.777 nan 8.270 nan 0.000 0.472 749 T N -0.372 114.139 114.554 -0.072 0.000 2.907 749 T HA 0.558 4.908 4.350 -0.000 0.000 0.290 749 T C 0.087 174.736 174.700 -0.085 0.000 1.066 749 T CA -1.102 60.947 62.100 -0.086 0.000 1.012 749 T CB 2.137 70.944 68.868 -0.101 0.000 1.184 749 T HN 0.348 nan 8.240 nan 0.000 0.522 750 R N 0.143 120.586 120.500 -0.095 0.000 2.598 750 R HA 0.570 4.910 4.340 -0.000 0.000 0.279 750 R C -0.690 175.534 176.300 -0.127 0.000 0.984 750 R CA -1.017 55.025 56.100 -0.097 0.000 0.999 750 R CB 0.992 31.238 30.300 -0.091 0.000 1.114 750 R HN 0.367 nan 8.270 nan 0.000 0.493 751 L N 1.471 122.624 121.223 -0.116 0.000 2.439 751 L HA 0.160 4.500 4.340 -0.000 0.000 0.269 751 L C 0.127 176.898 176.870 -0.166 0.000 1.179 751 L CA 0.779 55.541 54.840 -0.131 0.000 0.828 751 L CB 0.367 42.371 42.059 -0.091 0.000 1.106 751 L HN 0.602 nan 8.230 nan 0.000 0.467 752 E N 1.104 121.178 120.200 -0.209 0.000 2.317 752 E HA 0.252 4.602 4.350 -0.000 0.000 0.270 752 E C -1.364 175.152 176.600 -0.140 0.000 0.899 752 E CA -0.257 56.007 56.400 -0.227 0.000 0.814 752 E CB 1.526 30.985 29.700 -0.402 0.000 1.296 752 E HN 0.672 nan 8.360 nan 0.000 0.404 753 T N 1.650 116.165 114.554 -0.065 0.000 2.918 753 T HA 0.478 4.828 4.350 -0.000 0.000 0.286 753 T C 0.358 175.054 174.700 -0.005 0.000 1.026 753 T CA -0.200 61.894 62.100 -0.010 0.000 1.031 753 T CB 1.134 69.991 68.868 -0.018 0.000 1.046 753 T HN 0.717 nan 8.240 nan 0.000 0.479 754 R N 0.465 120.977 120.500 0.019 0.000 3.854 754 R HA -0.118 4.222 4.340 -0.000 0.000 0.352 754 R C 0.724 177.057 176.300 0.056 0.000 1.156 754 R CA 0.588 56.699 56.100 0.018 0.000 0.917 754 R CB -2.110 28.185 30.300 -0.009 0.000 1.471 754 R HN 0.974 nan 8.270 nan 0.000 0.521 755 G N 0.299 109.185 108.800 0.143 0.000 2.543 755 G HA2 0.280 4.240 3.960 -0.000 0.000 0.267 755 G HA3 0.280 4.240 3.960 -0.000 0.000 0.267 755 G C 0.952 175.991 174.900 0.232 0.000 1.406 755 G CA -0.009 45.238 45.100 0.245 0.000 1.048 755 G HN 0.286 nan 8.290 nan 0.000 0.548 756 R N -0.789 119.870 120.500 0.265 0.000 2.075 756 R HA 0.011 4.351 4.340 -0.000 0.000 0.232 756 R C -0.159 176.132 176.300 -0.015 0.000 1.126 756 R CA 0.779 56.936 56.100 0.096 0.000 0.963 756 R CB -0.529 29.823 30.300 0.087 0.000 0.858 756 R HN 0.256 nan 8.270 nan 0.000 0.435 757 N N 2.189 120.746 118.700 -0.238 0.000 2.401 757 N HA 0.095 4.835 4.740 -0.000 0.000 0.255 757 N C -0.891 174.554 175.510 -0.107 0.000 1.110 757 N CA -0.047 52.798 53.050 -0.342 0.000 0.949 757 N CB 1.247 39.067 38.487 -1.112 0.000 1.110 757 N HN 0.181 nan 8.380 nan 0.000 0.490 758 R N 2.280 122.781 120.500 0.000 0.000 2.287 758 R HA 0.283 4.623 4.340 -0.000 0.000 0.327 758 R C 0.228 176.564 176.300 0.060 0.000 1.109 758 R CA -0.536 55.581 56.100 0.028 0.000 1.013 758 R CB 0.365 30.678 30.300 0.022 0.000 1.126 758 R HN 0.316 nan 8.270 nan 0.000 0.503 759 M N 3.341 122.981 119.600 0.068 0.000 2.245 759 M HA 0.232 4.712 4.480 -0.000 0.000 0.330 759 M C -2.003 174.449 176.300 0.254 0.000 1.098 759 M CA -2.808 52.574 55.300 0.136 0.000 1.172 759 M CB -0.236 32.446 32.600 0.138 0.000 1.467 759 M HN 0.233 nan 8.290 nan 0.000 0.454 760 P HA 0.372 nan 4.420 nan 0.000 0.281 760 P C -0.708 176.733 177.300 0.235 0.000 1.264 760 P CA -0.715 62.527 63.100 0.236 0.000 0.824 760 P CB 0.604 32.389 31.700 0.142 0.000 1.092 761 R N 0.961 121.505 120.500 0.073 0.000 2.484 761 R HA 0.322 4.662 4.340 -0.000 0.000 0.293 761 R C 1.142 177.521 176.300 0.132 0.000 1.023 761 R CA 1.059 57.147 56.100 -0.021 0.000 1.037 761 R CB -0.844 29.331 30.300 -0.209 0.000 0.951 761 R HN 0.941 nan 8.270 nan 0.000 0.418 762 G N 1.291 110.238 108.800 0.245 0.000 2.176 762 G HA2 -0.250 3.710 3.960 -0.000 0.000 0.232 762 G HA3 -0.250 3.710 3.960 -0.000 0.000 0.232 762 G C -0.073 175.165 174.900 0.563 0.000 0.986 762 G CA -0.120 45.131 45.100 0.250 0.000 0.643 762 G HN 0.449 nan 8.290 nan 0.000 0.522 763 V N 0.501 120.727 119.914 0.521 0.000 2.555 763 V HA 0.800 4.920 4.120 -0.000 0.000 0.302 763 V C 0.036 176.320 176.094 0.316 0.000 1.038 763 V CA -0.828 61.753 62.300 0.467 0.000 0.887 763 V CB 2.013 34.031 31.823 0.326 0.000 0.991 763 V HN 0.267 nan 8.190 nan 0.000 0.434 764 V N 4.445 124.506 119.914 0.244 0.000 2.823 764 V HA 0.593 4.713 4.120 -0.000 0.000 0.312 764 V C -1.268 174.913 176.094 0.145 0.000 1.072 764 V CA -0.656 61.701 62.300 0.095 0.000 0.937 764 V CB 2.174 33.932 31.823 -0.109 0.000 1.013 764 V HN 0.744 nan 8.190 nan 0.000 0.430 765 F N 5.475 125.402 119.950 -0.038 0.000 2.518 765 F HA 0.785 5.312 4.527 -0.000 0.000 0.323 765 F C -0.623 175.254 175.800 0.128 0.000 1.129 765 F CA -0.631 57.334 58.000 -0.060 0.000 0.920 765 F CB 1.848 40.560 39.000 -0.479 0.000 1.160 765 F HN 0.340 nan 8.300 nan 0.000 0.440 766 V N 4.828 124.401 119.914 -0.569 0.000 2.531 766 V HA 0.720 4.840 4.120 -0.000 0.000 0.301 766 V C -2.869 172.891 176.094 -0.556 0.000 1.034 766 V CA -2.205 59.877 62.300 -0.363 0.000 0.865 766 V CB 1.450 33.166 31.823 -0.178 0.000 0.995 766 V HN 0.633 nan 8.190 nan 0.000 0.424 767 P HA 0.204 nan 4.420 nan 0.000 0.277 767 P C 0.014 177.237 177.300 -0.128 0.000 1.240 767 P CA -0.239 62.799 63.100 -0.102 0.000 0.798 767 P CB 1.025 32.840 31.700 0.191 0.000 0.979 768 W N 3.057 124.221 121.300 -0.226 0.000 3.239 768 W HA 0.105 4.765 4.660 -0.000 0.000 0.368 768 W C 0.887 177.270 176.519 -0.227 0.000 1.154 768 W CA -0.466 56.725 57.345 -0.257 0.000 1.860 768 W CB -1.728 27.601 29.460 -0.219 0.000 1.094 768 W HN 0.239 nan 8.180 nan 0.000 0.643 769 F N 1.321 120.980 119.950 -0.484 0.000 2.408 769 F HA 0.058 4.585 4.527 -0.000 0.000 0.300 769 F C 0.494 176.111 175.800 -0.305 0.000 1.090 769 F CA 0.582 58.262 58.000 -0.534 0.000 1.427 769 F CB -0.760 37.903 39.000 -0.561 0.000 1.070 769 F HN -0.283 nan 8.300 nan 0.000 0.549 770 D N 1.357 121.387 120.400 -0.616 0.000 2.339 770 D HA 0.311 4.951 4.640 -0.000 0.000 0.241 770 D C 1.153 177.353 176.300 -0.166 0.000 1.183 770 D CA 0.279 54.068 54.000 -0.352 0.000 0.859 770 D CB 1.652 42.136 40.800 -0.526 0.000 1.067 770 D HN 0.220 nan 8.370 nan 0.000 0.484 771 A N 3.040 125.812 122.820 -0.079 0.000 2.121 771 A HA -0.137 4.183 4.320 -0.000 0.000 0.218 771 A C 2.107 179.657 177.584 -0.056 0.000 1.154 771 A CA 1.517 53.528 52.037 -0.044 0.000 0.679 771 A CB -0.255 18.734 19.000 -0.018 0.000 0.795 771 A HN 0.572 nan 8.150 nan 0.000 0.458 772 S N -0.479 115.181 115.700 -0.066 0.000 2.406 772 S HA -0.093 4.377 4.470 -0.000 0.000 0.228 772 S C 1.018 175.572 174.600 -0.077 0.000 1.020 772 S CA 0.775 58.939 58.200 -0.060 0.000 0.965 772 S CB -0.254 62.917 63.200 -0.048 0.000 0.798 772 S HN 0.630 nan 8.310 nan 0.000 0.488 773 Q N 1.512 121.248 119.800 -0.106 0.000 2.834 773 Q HA 0.391 4.731 4.340 -0.000 0.000 0.271 773 Q C -1.116 174.824 176.000 -0.099 0.000 1.196 773 Q CA -0.193 55.542 55.803 -0.113 0.000 1.063 773 Q CB 0.786 29.433 28.738 -0.153 0.000 1.265 773 Q HN 0.500 nan 8.270 nan 0.000 0.526 774 L N 2.844 124.023 121.223 -0.073 0.000 2.451 774 L HA 0.063 4.403 4.340 -0.000 0.000 0.272 774 L C 1.148 177.987 176.870 -0.052 0.000 1.258 774 L CA 0.027 54.836 54.840 -0.052 0.000 1.132 774 L CB -0.388 41.634 42.059 -0.062 0.000 1.361 774 L HN 0.595 nan 8.230 nan 0.000 0.438 775 I N 0.689 121.232 120.570 -0.046 0.000 2.567 775 I HA -0.220 3.950 4.170 -0.000 0.000 0.257 775 I C 1.854 177.943 176.117 -0.045 0.000 1.184 775 I CA 0.762 62.032 61.300 -0.050 0.000 1.451 775 I CB -0.307 37.658 38.000 -0.057 0.000 1.089 775 I HN 0.612 nan 8.210 nan 0.000 0.441 776 N N 1.240 119.909 118.700 -0.051 0.000 2.609 776 N HA -0.094 4.646 4.740 -0.000 0.000 0.190 776 N C 1.463 176.946 175.510 -0.045 0.000 1.157 776 N CA 0.712 53.731 53.050 -0.052 0.000 0.918 776 N CB 0.034 38.470 38.487 -0.086 0.000 0.978 776 N HN 0.497 nan 8.380 nan 0.000 0.448 777 K N -0.154 120.217 120.400 -0.048 0.000 2.137 777 K HA 0.065 4.385 4.320 -0.000 0.000 0.202 777 K C 1.722 178.300 176.600 -0.037 0.000 1.052 777 K CA 0.591 56.850 56.287 -0.048 0.000 0.961 777 K CB 0.249 32.716 32.500 -0.056 0.000 0.741 777 K HN -0.020 nan 8.250 nan 0.000 0.452 778 V N 1.872 121.767 119.914 -0.031 0.000 2.667 778 V HA -0.101 4.019 4.120 -0.000 0.000 0.252 778 V C 0.964 177.041 176.094 -0.028 0.000 1.065 778 V CA 1.097 63.383 62.300 -0.022 0.000 1.083 778 V CB -0.729 31.087 31.823 -0.012 0.000 0.692 778 V HN 0.307 nan 8.190 nan 0.000 0.468 779 T N 2.178 116.716 114.554 -0.027 0.000 2.918 779 T HA 0.399 4.749 4.350 -0.000 0.000 0.302 779 T C -0.442 174.215 174.700 -0.071 0.000 1.045 779 T CA -0.251 61.831 62.100 -0.031 0.000 1.114 779 T CB 1.453 70.325 68.868 0.007 0.000 0.965 779 T HN 0.103 nan 8.240 nan 0.000 0.540 780 L N 2.290 123.457 121.223 -0.094 0.000 2.292 780 L HA 0.303 4.643 4.340 -0.000 0.000 0.284 780 L C 1.156 177.922 176.870 -0.173 0.000 1.065 780 L CA -0.199 54.569 54.840 -0.120 0.000 0.806 780 L CB 0.758 42.748 42.059 -0.115 0.000 1.175 780 L HN 0.614 nan 8.230 nan 0.000 0.431 781 D N 3.375 123.686 120.400 -0.149 0.000 2.411 781 D HA -0.071 4.569 4.640 -0.000 0.000 0.226 781 D C 0.312 176.522 176.300 -0.151 0.000 0.988 781 D CA 0.617 54.529 54.000 -0.147 0.000 0.938 781 D CB 0.122 40.871 40.800 -0.085 0.000 0.883 781 D HN 0.681 nan 8.370 nan 0.000 0.525 782 A N 0.129 122.852 122.820 -0.160 0.000 2.407 782 A HA 0.380 4.700 4.320 -0.000 0.000 0.248 782 A C 0.191 177.714 177.584 -0.102 0.000 1.082 782 A CA -0.161 51.812 52.037 -0.106 0.000 0.785 782 A CB 0.334 19.294 19.000 -0.068 0.000 1.020 782 A HN 0.340 nan 8.150 nan 0.000 0.489 783 N N 0.093 118.760 118.700 -0.054 0.000 2.577 783 N HA 0.366 5.106 4.740 -0.000 0.000 0.285 783 N C -1.536 173.934 175.510 -0.065 0.000 1.309 783 N CA -0.918 52.097 53.050 -0.058 0.000 0.798 783 N CB 1.199 39.652 38.487 -0.056 0.000 1.463 783 N HN 0.712 nan 8.380 nan 0.000 0.518 784 D N 1.462 121.819 120.400 -0.073 0.000 2.365 784 D HA 0.096 4.736 4.640 -0.000 0.000 0.237 784 D C -1.586 174.626 176.300 -0.147 0.000 1.190 784 D CA -1.970 51.948 54.000 -0.135 0.000 0.867 784 D CB 0.927 41.662 40.800 -0.109 0.000 1.050 784 D HN 0.307 nan 8.370 nan 0.000 0.491 785 P HA -0.165 nan 4.420 nan 0.000 0.221 785 P C 1.486 178.719 177.300 -0.112 0.000 1.141 785 P CA 0.957 63.970 63.100 -0.144 0.000 0.794 785 P CB 0.389 31.986 31.700 -0.170 0.000 0.764 786 I N -0.223 120.283 120.570 -0.107 0.000 2.512 786 I HA -0.099 4.071 4.170 -0.000 0.000 0.247 786 I C 2.636 178.715 176.117 -0.063 0.000 1.094 786 I CA 1.541 62.808 61.300 -0.056 0.000 1.427 786 I CB -0.708 37.289 38.000 -0.005 0.000 1.149 786 I HN 0.030 nan 8.210 nan 0.000 0.438 787 S N 0.061 115.729 115.700 -0.055 0.000 2.458 787 S HA 0.000 4.470 4.470 -0.000 0.000 0.223 787 S C 1.181 175.751 174.600 -0.050 0.000 1.019 787 S CA -0.034 58.149 58.200 -0.029 0.000 0.937 787 S CB 0.173 63.386 63.200 0.020 0.000 0.788 787 S HN 0.318 nan 8.310 nan 0.000 0.511 788 R N 0.622 121.062 120.500 -0.101 0.000 3.774 788 R HA -0.120 4.220 4.340 -0.000 0.000 0.320 788 R C -0.261 176.016 176.300 -0.038 0.000 1.175 788 R CA 0.971 56.961 56.100 -0.183 0.000 0.849 788 R CB -2.648 27.352 30.300 -0.500 0.000 1.365 788 R HN 0.868 nan 8.270 nan 0.000 0.502 789 Q N 1.215 121.038 119.800 0.038 0.000 2.314 789 Q HA 0.236 4.576 4.340 -0.000 0.000 0.257 789 Q C 0.185 176.226 176.000 0.069 0.000 0.975 789 Q CA 0.131 56.015 55.803 0.134 0.000 0.933 789 Q CB 1.016 29.856 28.738 0.170 0.000 1.195 789 Q HN 0.198 nan 8.270 nan 0.000 0.426 790 T N 2.023 116.603 114.554 0.043 0.000 2.906 790 T HA -0.051 4.299 4.350 -0.000 0.000 0.320 790 T C -0.230 174.260 174.700 -0.350 0.000 1.088 790 T CA -0.317 61.638 62.100 -0.243 0.000 1.120 790 T CB 0.674 69.248 68.868 -0.490 0.000 1.000 790 T HN 0.702 nan 8.240 nan 0.000 0.550 791 D N 2.901 123.081 120.400 -0.365 0.000 2.427 791 D HA 0.217 4.857 4.640 -0.000 0.000 0.226 791 D C -0.156 175.996 176.300 -0.247 0.000 1.076 791 D CA -0.709 53.184 54.000 -0.179 0.000 0.849 791 D CB 0.083 40.850 40.800 -0.055 0.000 1.052 791 D HN 0.574 nan 8.370 nan 0.000 0.515 792 F N 2.071 122.005 119.950 -0.028 0.000 2.727 792 F HA 0.201 4.728 4.527 -0.000 0.000 0.302 792 F C 1.975 177.773 175.800 -0.004 0.000 1.097 792 F CA -0.322 57.639 58.000 -0.065 0.000 1.330 792 F CB 0.460 39.364 39.000 -0.159 0.000 1.084 792 F HN 0.128 nan 8.300 nan 0.000 0.578 793 K N 1.520 122.039 120.400 0.197 0.000 2.444 793 K HA 0.111 4.431 4.320 -0.000 0.000 0.193 793 K C 0.172 176.849 176.600 0.128 0.000 1.024 793 K CA 0.349 56.738 56.287 0.171 0.000 1.077 793 K CB -0.040 32.555 32.500 0.159 0.000 0.833 793 K HN 0.339 nan 8.250 nan 0.000 0.517 794 K N -0.235 120.244 120.400 0.132 0.000 2.569 794 K HA 0.387 4.707 4.320 -0.000 0.000 0.259 794 K C -0.796 175.975 176.600 0.285 0.000 0.932 794 K CA -0.836 55.597 56.287 0.244 0.000 0.833 794 K CB 1.233 33.798 32.500 0.108 0.000 1.340 794 K HN 0.064 nan 8.250 nan 0.000 0.429 795 C N -1.226 118.296 119.300 0.369 0.000 3.231 795 C HA 0.824 5.284 4.460 -0.000 0.000 0.343 795 C C -0.858 174.196 174.990 0.108 0.000 1.349 795 C CA -0.636 58.479 59.018 0.163 0.000 1.209 795 C CB 0.874 28.642 27.740 0.048 0.000 1.475 795 C HN 1.128 nan 8.230 nan 0.000 0.460 796 A N 1.012 123.794 122.820 -0.064 0.000 2.301 796 A HA 0.799 5.119 4.320 -0.000 0.000 0.298 796 A C -0.457 177.144 177.584 0.028 0.000 1.185 796 A CA -0.345 51.642 52.037 -0.083 0.000 0.830 796 A CB 0.478 19.380 19.000 -0.162 0.000 1.112 796 A HN 1.728 nan 8.150 nan 0.000 0.508 797 V N 2.349 122.382 119.914 0.198 0.000 2.971 797 V HA 0.463 4.582 4.120 -0.000 0.000 0.309 797 V C -0.156 176.173 176.094 0.391 0.000 1.130 797 V CA -0.809 61.670 62.300 0.299 0.000 0.964 797 V CB 2.251 34.187 31.823 0.188 0.000 1.029 797 V HN 0.982 nan 8.190 nan 0.000 0.427 798 K N 2.651 123.267 120.400 0.361 0.000 2.208 798 K HA 0.790 5.110 4.320 -0.000 0.000 0.247 798 K C -1.581 175.114 176.600 0.158 0.000 0.953 798 K CA -0.719 55.697 56.287 0.216 0.000 0.837 798 K CB 1.798 34.264 32.500 -0.056 0.000 1.131 798 K HN 0.588 nan 8.250 nan 0.000 0.431 799 I N 2.561 123.230 120.570 0.166 0.000 2.478 799 I HA 0.312 4.482 4.170 -0.000 0.000 0.287 799 I C -0.453 175.694 176.117 0.051 0.000 1.042 799 I CA -0.616 60.720 61.300 0.061 0.000 1.067 799 I CB 1.887 39.858 38.000 -0.049 0.000 1.233 799 I HN 0.474 nan 8.210 nan 0.000 0.431 800 E N 4.217 124.425 120.200 0.014 0.000 2.369 800 E HA 0.914 5.264 4.350 -0.000 0.000 0.270 800 E C -1.188 175.408 176.600 -0.007 0.000 0.909 800 E CA -0.795 55.608 56.400 0.005 0.000 0.775 800 E CB 3.167 32.864 29.700 -0.005 0.000 1.270 800 E HN 0.730 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 4.320 4.320 -0.000 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 -0.000 0.000 0.831 801 A HN 0.000 nan 8.150 nan 0.000 0.486