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_C 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 0.000 175.916 176.117 -0.335 0.000 1.063 12 I CA 0.000 61.158 61.300 -0.237 0.000 1.566 12 I CB 0.000 37.913 38.000 -0.145 0.000 1.214 13 R N 1.342 121.573 120.500 -0.448 0.000 2.310 13 R HA 0.368 4.708 4.340 -0.001 0.000 0.324 13 R C -1.824 174.206 176.300 -0.451 0.000 0.955 13 R CA -0.411 55.490 56.100 -0.332 0.000 0.830 13 R CB 1.107 31.294 30.300 -0.189 0.000 1.154 13 R HN 0.031 nan 8.270 nan 0.000 0.458 14 W N 1.815 123.100 121.300 -0.023 0.000 2.335 14 W HA 0.371 5.031 4.660 -0.001 0.000 0.307 14 W C 0.092 176.621 176.519 0.017 0.000 1.117 14 W CA -0.317 57.018 57.345 -0.018 0.000 1.228 14 W CB 1.655 31.101 29.460 -0.023 0.000 1.240 14 W HN 0.313 nan 8.180 nan 0.000 0.468 15 S N 2.336 118.165 115.700 0.215 0.000 2.536 15 S HA 0.371 4.840 4.470 -0.001 0.000 0.298 15 S C -0.465 174.223 174.600 0.148 0.000 1.083 15 S CA -1.046 57.260 58.200 0.176 0.000 0.995 15 S CB 1.457 64.746 63.200 0.147 0.000 1.058 15 S HN 0.420 nan 8.310 nan 0.000 0.488 16 K N 1.583 122.066 120.400 0.137 0.000 2.350 16 K HA 0.597 4.916 4.320 -0.001 0.000 0.279 16 K C -0.680 175.960 176.600 0.067 0.000 1.027 16 K CA -0.138 56.211 56.287 0.105 0.000 0.969 16 K CB 0.350 32.920 32.500 0.116 0.000 0.954 16 K HN 0.683 nan 8.250 nan 0.000 0.474 17 A N 4.809 127.643 122.820 0.023 0.000 2.594 17 A HA 0.435 4.754 4.320 -0.001 0.000 0.296 17 A C -2.958 174.583 177.584 -0.073 0.000 1.056 17 A CA -1.273 50.731 52.037 -0.055 0.000 0.693 17 A CB 1.584 20.417 19.000 -0.279 0.000 1.278 17 A HN 0.605 nan 8.150 nan 0.000 0.408 18 P HA 0.376 nan 4.420 nan 0.000 0.288 18 P C 0.323 177.565 177.300 -0.096 0.000 1.267 18 P CA -0.280 62.685 63.100 -0.225 0.000 0.815 18 P CB 1.159 32.586 31.700 -0.456 0.000 0.989 19 C N 4.602 123.827 119.300 -0.126 0.000 2.563 19 C HA 0.045 4.504 4.460 -0.001 0.000 0.411 19 C C 2.155 176.910 174.990 -0.392 0.000 1.386 19 C CA 0.025 58.897 59.018 -0.243 0.000 1.703 19 C CB -1.080 26.539 27.740 -0.203 0.000 2.596 19 C HN 0.686 nan 8.230 nan 0.000 0.605 20 R N 3.130 123.099 120.500 -0.885 0.000 2.323 20 R HA 0.246 4.585 4.340 -0.001 0.000 0.198 20 R C 0.141 175.746 176.300 -1.157 0.000 0.988 20 R CA 1.046 56.521 56.100 -1.042 0.000 1.041 20 R CB -0.449 28.803 30.300 -1.745 0.000 0.926 20 R HN 0.839 nan 8.270 nan 0.000 0.476 21 F N -2.078 117.372 119.950 -0.834 0.000 2.929 21 F HA 0.253 4.779 4.527 -0.001 0.000 0.150 21 F C 0.993 176.285 175.800 -0.847 0.000 1.482 21 F CA -0.942 56.244 58.000 -1.356 0.000 0.962 21 F CB -0.741 37.620 39.000 -1.064 0.000 2.000 21 F HN -0.294 nan 8.300 nan 0.000 0.408 22 C N 2.039 121.257 119.300 -0.138 0.000 2.204 22 C HA -0.095 4.364 4.460 -0.001 0.000 0.392 22 C C 1.994 177.035 174.990 0.084 0.000 1.454 22 C CA 0.808 59.876 59.018 0.083 0.000 1.536 22 C CB -0.640 27.078 27.740 -0.037 0.000 2.625 22 C HN 0.874 nan 8.230 nan 0.000 0.554 23 G N 2.877 111.771 108.800 0.156 0.000 2.920 23 G HA2 -0.002 3.957 3.960 -0.001 0.000 0.208 23 G HA3 -0.002 3.957 3.960 -0.001 0.000 0.208 23 G C 1.245 176.348 174.900 0.339 0.000 1.159 23 G CA 0.985 46.238 45.100 0.255 0.000 0.784 23 G HN 0.846 nan 8.290 nan 0.000 0.535 24 T N 0.619 115.339 114.554 0.275 0.000 2.643 24 T HA 0.176 4.525 4.350 -0.001 0.000 0.264 24 T C 1.862 176.778 174.700 0.360 0.000 1.045 24 T CA 1.896 64.184 62.100 0.315 0.000 1.155 24 T CB -0.371 68.567 68.868 0.117 0.000 0.863 24 T HN 1.089 nan 8.240 nan 0.000 0.420 25 G N 0.348 109.287 108.800 0.232 0.000 2.288 25 G HA2 -0.203 3.757 3.960 -0.001 0.000 0.205 25 G HA3 -0.203 3.757 3.960 -0.001 0.000 0.205 25 G C 0.214 175.221 174.900 0.179 0.000 1.071 25 G CA -0.366 44.904 45.100 0.283 0.000 0.788 25 G HN 0.652 nan 8.290 nan 0.000 0.491 26 C N 0.107 119.439 119.300 0.053 0.000 2.703 26 C HA 0.559 5.018 4.460 -0.001 0.000 0.411 26 C C 1.626 176.584 174.990 -0.053 0.000 1.290 26 C CA 0.720 59.733 59.018 -0.007 0.000 2.054 26 C CB 0.439 28.134 27.740 -0.074 0.000 2.732 26 C HN 1.052 nan 8.230 nan 0.000 0.650 27 G N 1.264 110.039 108.800 -0.041 0.000 2.348 27 G HA2 0.557 4.516 3.960 -0.001 0.000 0.312 27 G HA3 0.557 4.516 3.960 -0.001 0.000 0.312 27 G C -0.887 173.996 174.900 -0.028 0.000 1.126 27 G CA -0.117 44.953 45.100 -0.049 0.000 0.865 27 G HN 0.655 nan 8.290 nan 0.000 0.474 28 V N 3.394 123.308 119.914 -0.001 0.000 2.864 28 V HA 0.544 4.663 4.120 -0.001 0.000 0.314 28 V C -0.154 175.999 176.094 0.098 0.000 1.073 28 V CA -0.881 61.451 62.300 0.053 0.000 0.956 28 V CB 2.208 34.088 31.823 0.095 0.000 1.023 28 V HN 0.674 nan 8.190 nan 0.000 0.435 29 M N 3.335 123.028 119.600 0.156 0.000 2.043 29 M HA 0.398 4.877 4.480 -0.001 0.000 0.322 29 M C -0.989 175.521 176.300 0.350 0.000 0.962 29 M CA -0.481 54.949 55.300 0.217 0.000 0.927 29 M CB 1.516 34.213 32.600 0.162 0.000 1.466 29 M HN 0.349 nan 8.290 nan 0.000 0.412 30 V N 2.960 123.012 119.914 0.230 0.000 2.455 30 V HA 0.352 4.472 4.120 -0.001 0.000 0.273 30 V C 0.987 177.083 176.094 0.004 0.000 1.045 30 V CA -0.504 61.873 62.300 0.128 0.000 0.976 30 V CB 0.816 32.603 31.823 -0.060 0.000 0.993 30 V HN 0.952 nan 8.190 nan 0.000 0.475 31 G N 3.074 111.742 108.800 -0.220 0.000 2.339 31 G HA2 0.501 4.461 3.960 -0.001 0.000 0.287 31 G HA3 0.501 4.461 3.960 -0.001 0.000 0.287 31 G C -0.261 174.342 174.900 -0.495 0.000 1.163 31 G CA -0.132 44.422 45.100 -0.909 0.000 0.872 31 G HN 0.610 nan 8.290 nan 0.000 0.464 32 T N 1.947 116.208 114.554 -0.489 0.000 2.848 32 T HA 0.644 4.993 4.350 -0.001 0.000 0.285 32 T C -0.319 174.228 174.700 -0.255 0.000 0.995 32 T CA -0.543 61.392 62.100 -0.275 0.000 0.970 32 T CB 1.383 70.139 68.868 -0.186 0.000 0.976 32 T HN 0.589 nan 8.240 nan 0.000 0.441 33 R N 2.578 122.971 120.500 -0.177 0.000 2.548 33 R HA 0.306 4.645 4.340 -0.001 0.000 0.280 33 R C -1.190 175.047 176.300 -0.104 0.000 1.061 33 R CA -0.392 55.620 56.100 -0.147 0.000 0.915 33 R CB 1.009 31.221 30.300 -0.147 0.000 1.210 33 R HN 0.776 nan 8.270 nan 0.000 0.442 34 D N 2.717 123.063 120.400 -0.090 0.000 2.686 34 D HA -0.183 4.456 4.640 -0.001 0.000 0.235 34 D C 0.724 176.987 176.300 -0.061 0.000 1.160 34 D CA 2.166 56.124 54.000 -0.071 0.000 0.645 34 D CB -0.586 40.175 40.800 -0.066 0.000 1.039 34 D HN 1.012 nan 8.370 nan 0.000 0.423 35 G N -0.561 108.204 108.800 -0.059 0.000 2.179 35 G HA2 -0.339 3.620 3.960 -0.001 0.000 0.257 35 G HA3 -0.339 3.620 3.960 -0.001 0.000 0.257 35 G C 0.052 174.950 174.900 -0.005 0.000 1.010 35 G CA 0.580 45.659 45.100 -0.036 0.000 0.736 35 G HN 0.478 nan 8.290 nan 0.000 0.513 36 Q N -0.896 118.890 119.800 -0.023 0.000 2.372 36 Q HA 0.540 4.879 4.340 -0.001 0.000 0.273 36 Q C -0.305 175.702 176.000 0.012 0.000 1.078 36 Q CA -0.810 54.995 55.803 0.004 0.000 0.806 36 Q CB 2.770 31.448 28.738 -0.100 0.000 1.332 36 Q HN 0.159 nan 8.270 nan 0.000 0.435 37 V N 2.693 122.696 119.914 0.147 0.000 2.408 37 V HA 0.083 4.202 4.120 -0.001 0.000 0.267 37 V C 1.027 177.159 176.094 0.064 0.000 1.047 37 V CA 0.034 62.404 62.300 0.117 0.000 0.937 37 V CB 0.875 32.862 31.823 0.273 0.000 0.999 37 V HN 0.704 nan 8.190 nan 0.000 0.472 38 V N 1.918 121.806 119.914 -0.044 0.000 3.528 38 V HA 0.839 4.958 4.120 -0.001 0.000 0.294 38 V C 0.416 176.507 176.094 -0.004 0.000 1.404 38 V CA 0.458 62.732 62.300 -0.043 0.000 1.065 38 V CB 0.045 31.809 31.823 -0.098 0.000 0.904 38 V HN 0.907 nan 8.190 nan 0.000 0.435 39 A N -0.769 122.053 122.820 0.002 0.000 2.599 39 A HA 0.749 5.069 4.320 -0.001 0.000 0.294 39 A C -0.558 177.141 177.584 0.191 0.000 1.055 39 A CA -0.145 51.952 52.037 0.099 0.000 0.683 39 A CB 1.484 20.510 19.000 0.043 0.000 1.278 39 A HN 0.140 nan 8.150 nan 0.000 0.412 40 T N 2.177 116.933 114.554 0.336 0.000 3.008 40 T HA 0.490 4.839 4.350 -0.001 0.000 0.328 40 T C -0.722 174.299 174.700 0.536 0.000 1.020 40 T CA -0.129 62.193 62.100 0.369 0.000 1.043 40 T CB 0.067 69.105 68.868 0.283 0.000 1.010 40 T HN 0.655 nan 8.240 nan 0.000 0.466 41 H N 0.518 119.753 119.070 0.275 0.000 2.630 41 H HA 0.658 5.214 4.556 -0.001 0.000 0.343 41 H C 0.768 176.144 175.328 0.079 0.000 1.232 41 H CA -1.387 54.757 56.048 0.159 0.000 1.294 41 H CB 1.401 31.147 29.762 -0.026 0.000 1.746 41 H HN 0.691 nan 8.280 nan 0.000 0.593 42 G N 0.259 109.164 108.800 0.175 0.000 2.390 42 G HA2 0.003 3.962 3.960 -0.001 0.000 0.270 42 G HA3 0.003 3.962 3.960 -0.001 0.000 0.270 42 G C -0.490 174.426 174.900 0.026 0.000 1.211 42 G CA -0.332 44.791 45.100 0.038 0.000 0.842 42 G HN 0.554 nan 8.290 nan 0.000 0.519 43 D N 1.632 122.036 120.400 0.008 0.000 2.374 43 D HA 0.103 4.743 4.640 -0.001 0.000 0.240 43 D C 1.925 178.222 176.300 -0.004 0.000 1.229 43 D CA -0.165 53.839 54.000 0.007 0.000 0.895 43 D CB 0.757 41.566 40.800 0.015 0.000 1.046 43 D HN 0.334 nan 8.370 nan 0.000 0.498 44 T N 0.887 115.433 114.554 -0.014 0.000 3.098 44 T HA -0.119 4.230 4.350 -0.001 0.000 0.266 44 T C 1.179 175.876 174.700 -0.004 0.000 1.145 44 T CA 0.711 62.803 62.100 -0.015 0.000 1.092 44 T CB 0.136 68.989 68.868 -0.026 0.000 0.908 44 T HN 0.235 nan 8.240 nan 0.000 0.526 45 Q N 0.559 120.361 119.800 0.003 0.000 2.319 45 Q HA 0.471 4.810 4.340 -0.001 0.000 0.202 45 Q C 0.671 176.682 176.000 0.019 0.000 0.896 45 Q CA 0.040 55.850 55.803 0.012 0.000 0.942 45 Q CB 0.541 29.289 28.738 0.016 0.000 1.083 45 Q HN 0.724 nan 8.270 nan 0.000 0.510 46 A N 0.983 123.814 122.820 0.019 0.000 2.320 46 A HA 0.171 4.490 4.320 -0.001 0.000 0.287 46 A C 1.084 178.686 177.584 0.031 0.000 1.181 46 A CA -0.292 51.762 52.037 0.028 0.000 0.831 46 A CB 0.650 19.665 19.000 0.026 0.000 1.102 46 A HN -0.029 nan 8.150 nan 0.000 0.513 47 E N 1.791 122.011 120.200 0.033 0.000 2.110 47 E HA -0.130 4.219 4.350 -0.001 0.000 0.193 47 E C 2.021 178.666 176.600 0.076 0.000 0.988 47 E CA 1.240 57.666 56.400 0.043 0.000 0.804 47 E CB -0.099 29.615 29.700 0.023 0.000 0.745 47 E HN 0.594 nan 8.360 nan 0.000 0.458 48 V N 3.071 123.048 119.914 0.105 0.000 2.214 48 V HA -0.326 3.793 4.120 -0.001 0.000 0.245 48 V C 2.163 178.295 176.094 0.062 0.000 1.047 48 V CA 2.350 64.755 62.300 0.174 0.000 0.998 48 V CB -0.700 31.258 31.823 0.224 0.000 0.633 48 V HN 0.382 nan 8.190 nan 0.000 0.446 49 N N -0.387 118.325 118.700 0.019 0.000 2.368 49 N HA -0.089 4.650 4.740 -0.001 0.000 0.178 49 N C 0.584 176.076 175.510 -0.031 0.000 1.021 49 N CA 0.292 53.321 53.050 -0.035 0.000 0.875 49 N CB -0.111 38.342 38.487 -0.058 0.000 1.020 49 N HN 0.430 nan 8.380 nan 0.000 0.433 50 R N 0.606 121.098 120.500 -0.013 0.000 3.125 50 R HA -0.105 4.235 4.340 -0.001 0.000 0.258 50 R C 0.641 176.929 176.300 -0.020 0.000 0.968 50 R CA 0.600 56.693 56.100 -0.011 0.000 0.656 50 R CB -2.268 28.026 30.300 -0.009 0.000 1.251 50 R HN 0.735 nan 8.270 nan 0.000 0.428 51 G N -1.019 107.768 108.800 -0.021 0.000 2.159 51 G HA2 -0.317 3.643 3.960 -0.001 0.000 0.256 51 G HA3 -0.317 3.643 3.960 -0.001 0.000 0.256 51 G C -0.189 174.708 174.900 -0.005 0.000 0.977 51 G CA 0.296 45.387 45.100 -0.016 0.000 0.652 51 G HN 0.225 nan 8.290 nan 0.000 0.531 52 L N 0.684 121.884 121.223 -0.038 0.000 2.362 52 L HA 0.625 4.964 4.340 -0.001 0.000 0.275 52 L C 0.170 176.934 176.870 -0.176 0.000 0.998 52 L CA -0.781 54.032 54.840 -0.045 0.000 0.820 52 L CB 1.722 43.757 42.059 -0.040 0.000 1.270 52 L HN 0.349 nan 8.230 nan 0.000 0.415 53 N N 0.652 119.116 118.700 -0.393 0.000 3.091 53 N HA 0.779 5.518 4.740 -0.001 0.000 0.329 53 N C -0.982 174.274 175.510 -0.423 0.000 1.430 53 N CA -0.877 51.815 53.050 -0.596 0.000 0.755 53 N CB 1.813 39.637 38.487 -1.106 0.000 1.626 53 N HN 0.673 nan 8.380 nan 0.000 0.614 54 C N -1.708 117.402 119.300 -0.318 0.000 2.924 54 C HA 0.519 4.978 4.460 -0.001 0.000 0.399 54 C C 2.042 177.044 174.990 0.019 0.000 1.795 54 C CA -0.693 58.275 59.018 -0.082 0.000 1.685 54 C CB -0.379 27.314 27.740 -0.078 0.000 2.218 54 C HN 0.564 nan 8.230 nan 0.000 0.474 55 V N 1.425 121.389 119.914 0.084 0.000 2.231 55 V HA -0.220 3.900 4.120 -0.001 0.000 0.248 55 V C 2.613 178.823 176.094 0.194 0.000 1.054 55 V CA 2.419 64.828 62.300 0.183 0.000 1.015 55 V CB -1.399 30.514 31.823 0.149 0.000 0.638 55 V HN 0.900 nan 8.190 nan 0.000 0.444 56 K N 0.928 121.354 120.400 0.043 0.000 2.113 56 K HA -0.142 4.177 4.320 -0.001 0.000 0.208 56 K C 2.288 178.966 176.600 0.130 0.000 1.047 56 K CA 1.596 57.896 56.287 0.022 0.000 0.928 56 K CB -0.738 31.555 32.500 -0.345 0.000 0.716 56 K HN 0.602 nan 8.250 nan 0.000 0.446 57 G N 0.615 109.400 108.800 -0.026 0.000 2.434 57 G HA2 -0.238 3.721 3.960 -0.001 0.000 0.214 57 G HA3 -0.238 3.721 3.960 -0.001 0.000 0.214 57 G C 1.245 176.060 174.900 -0.142 0.000 1.202 57 G CA 0.637 45.649 45.100 -0.146 0.000 0.788 57 G HN 0.283 nan 8.290 nan 0.000 0.539 58 Y N -0.460 119.777 120.300 -0.105 0.000 2.315 58 Y HA 0.021 4.570 4.550 -0.001 0.000 0.288 58 Y C 1.705 177.447 175.900 -0.263 0.000 1.154 58 Y CA 0.483 58.452 58.100 -0.218 0.000 1.229 58 Y CB -0.162 38.056 38.460 -0.402 0.000 0.980 58 Y HN 0.172 nan 8.280 nan 0.000 0.540 59 F N -0.784 119.269 119.950 0.173 0.000 2.713 59 F HA 0.132 4.659 4.527 -0.001 0.000 0.294 59 F C 1.261 177.108 175.800 0.078 0.000 1.152 59 F CA -0.178 57.898 58.000 0.127 0.000 1.385 59 F CB -0.130 38.925 39.000 0.093 0.000 0.981 59 F HN 0.015 nan 8.300 nan 0.000 0.514 60 L N -0.335 120.965 121.223 0.128 0.000 2.201 60 L HA -0.195 4.144 4.340 -0.001 0.000 0.212 60 L C 2.584 179.509 176.870 0.092 0.000 1.105 60 L CA 1.199 55.981 54.840 -0.097 0.000 0.775 60 L CB -0.507 41.331 42.059 -0.368 0.000 0.913 60 L HN 0.293 nan 8.230 nan 0.000 0.440 61 S N -0.320 115.523 115.700 0.238 0.000 2.419 61 S HA -0.198 4.271 4.470 -0.001 0.000 0.235 61 S C 1.642 176.462 174.600 0.367 0.000 1.019 61 S CA 0.961 59.349 58.200 0.314 0.000 0.982 61 S CB -0.266 63.104 63.200 0.283 0.000 0.789 61 S HN 0.465 nan 8.310 nan 0.000 0.490 62 K N 0.146 120.737 120.400 0.318 0.000 2.372 62 K HA 0.406 4.725 4.320 -0.001 0.000 0.200 62 K C 1.262 177.995 176.600 0.223 0.000 1.022 62 K CA -0.075 56.401 56.287 0.316 0.000 1.125 62 K CB 0.019 32.665 32.500 0.244 0.000 0.855 62 K HN 0.385 nan 8.250 nan 0.000 0.524 63 I N 1.271 121.915 120.570 0.124 0.000 2.353 63 I HA -0.169 4.001 4.170 -0.001 0.000 0.248 63 I C 1.937 178.100 176.117 0.077 0.000 1.119 63 I CA 1.221 62.557 61.300 0.060 0.000 1.417 63 I CB 0.076 38.017 38.000 -0.098 0.000 1.078 63 I HN 0.175 nan 8.210 nan 0.000 0.421 64 M N -1.061 118.447 119.600 -0.153 0.000 2.561 64 M HA 0.011 4.490 4.480 -0.001 0.000 0.238 64 M C 0.548 176.650 176.300 -0.330 0.000 1.131 64 M CA 0.929 56.043 55.300 -0.311 0.000 1.046 64 M CB -0.253 32.018 32.600 -0.548 0.000 1.532 64 M HN 0.193 nan 8.290 nan 0.000 0.497 65 Y N 0.650 121.071 120.300 0.202 0.000 2.636 65 Y HA 0.391 4.940 4.550 -0.001 0.000 0.260 65 Y C 1.572 177.564 175.900 0.154 0.000 1.177 65 Y CA -0.998 57.194 58.100 0.153 0.000 1.209 65 Y CB 0.141 38.662 38.460 0.102 0.000 1.166 65 Y HN 0.183 nan 8.280 nan 0.000 0.531 66 G N 1.248 110.244 108.800 0.327 0.000 2.554 66 G HA2 -0.013 3.946 3.960 -0.001 0.000 0.238 66 G HA3 -0.013 3.946 3.960 -0.001 0.000 0.238 66 G C 0.769 175.805 174.900 0.226 0.000 1.259 66 G CA -0.326 44.875 45.100 0.169 0.000 0.843 66 G HN 0.642 nan 8.290 nan 0.000 0.582 67 E N 0.458 120.730 120.200 0.121 0.000 2.516 67 E HA -0.071 4.278 4.350 -0.001 0.000 0.199 67 E C 0.337 177.006 176.600 0.115 0.000 1.069 67 E CA 0.691 57.156 56.400 0.108 0.000 0.876 67 E CB 0.191 29.925 29.700 0.057 0.000 0.843 67 E HN 0.382 nan 8.360 nan 0.000 0.530 68 D N 1.025 121.524 120.400 0.165 0.000 2.249 68 D HA -0.018 4.621 4.640 -0.001 0.000 0.205 68 D C 0.251 176.666 176.300 0.191 0.000 0.962 68 D CA 0.221 54.325 54.000 0.173 0.000 0.860 68 D CB -0.031 40.889 40.800 0.200 0.000 0.955 68 D HN -0.033 nan 8.370 nan 0.000 0.505 69 R N 1.339 121.984 120.500 0.241 0.000 3.651 69 R HA -0.138 4.202 4.340 -0.001 0.000 0.201 69 R C 0.084 176.371 176.300 -0.021 0.000 0.627 69 R CA 0.244 56.333 56.100 -0.019 0.000 0.952 69 R CB -0.912 29.364 30.300 -0.040 0.000 1.005 69 R HN 0.288 nan 8.270 nan 0.000 0.327 70 L N 3.184 124.371 121.223 -0.059 0.000 2.540 70 L HA -0.036 4.304 4.340 -0.001 0.000 0.276 70 L C 1.695 178.535 176.870 -0.050 0.000 1.212 70 L CA 0.652 55.462 54.840 -0.051 0.000 0.893 70 L CB 0.255 42.279 42.059 -0.059 0.000 1.138 70 L HN 0.706 nan 8.230 nan 0.000 0.491 71 T N -2.848 111.676 114.554 -0.051 0.000 2.975 71 T HA 0.158 4.508 4.350 -0.001 0.000 0.261 71 T C 0.482 175.136 174.700 -0.077 0.000 0.984 71 T CA -0.122 61.953 62.100 -0.042 0.000 0.911 71 T CB 0.473 69.326 68.868 -0.025 0.000 1.127 71 T HN 0.545 nan 8.240 nan 0.000 0.514 72 T N 3.036 117.511 114.554 -0.133 0.000 2.933 72 T HA 0.552 4.902 4.350 -0.001 0.000 0.305 72 T C -3.108 171.405 174.700 -0.312 0.000 1.092 72 T CA -1.419 60.545 62.100 -0.226 0.000 1.008 72 T CB 2.339 71.116 68.868 -0.152 0.000 1.102 72 T HN -0.181 nan 8.240 nan 0.000 0.469 73 P HA 0.313 nan 4.420 nan 0.000 0.269 73 P C -1.179 175.980 177.300 -0.235 0.000 1.209 73 P CA -0.554 62.254 63.100 -0.488 0.000 0.776 73 P CB 0.392 31.635 31.700 -0.761 0.000 0.876 74 L N 3.528 124.672 121.223 -0.132 0.000 2.377 74 L HA 0.386 4.726 4.340 -0.001 0.000 0.270 74 L C -0.319 176.702 176.870 0.251 0.000 0.991 74 L CA -0.570 54.289 54.840 0.032 0.000 0.851 74 L CB 0.562 42.578 42.059 -0.071 0.000 1.218 74 L HN 0.290 nan 8.230 nan 0.000 0.420 75 L N 3.743 125.092 121.223 0.211 0.000 2.375 75 L HA 0.516 4.855 4.340 -0.001 0.000 0.268 75 L C 0.634 177.623 176.870 0.198 0.000 1.058 75 L CA -0.147 54.812 54.840 0.198 0.000 0.803 75 L CB 0.905 43.028 42.059 0.106 0.000 1.212 75 L HN 0.466 nan 8.230 nan 0.000 0.451 76 R N 5.616 126.191 120.500 0.126 0.000 2.891 76 R HA 0.409 4.748 4.340 -0.001 0.000 0.248 76 R C -1.210 175.186 176.300 0.160 0.000 1.439 76 R CA -0.094 55.988 56.100 -0.031 0.000 1.288 76 R CB -0.296 29.940 30.300 -0.107 0.000 1.212 76 R HN 0.737 nan 8.270 nan 0.000 0.605 77 M N 1.536 121.198 119.600 0.103 0.000 4.045 77 M HA -0.199 4.280 4.480 -0.001 0.000 0.157 77 M C 0.706 177.083 176.300 0.128 0.000 1.532 77 M CA 0.112 55.473 55.300 0.103 0.000 1.096 77 M CB -0.151 32.505 32.600 0.094 0.000 1.346 77 M HN 0.480 nan 8.290 nan 0.000 0.192 78 K N 2.192 122.646 120.400 0.091 0.000 1.965 78 K HA -0.067 4.253 4.320 -0.001 0.000 0.214 78 K C 0.131 176.777 176.600 0.075 0.000 1.046 78 K CA 1.862 58.196 56.287 0.077 0.000 0.944 78 K CB 0.297 32.831 32.500 0.057 0.000 0.726 78 K HN 0.607 nan 8.250 nan 0.000 0.441 79 D N -3.080 117.357 120.400 0.060 0.000 2.433 79 D HA 0.452 5.092 4.640 -0.001 0.000 0.236 79 D C -0.303 176.024 176.300 0.045 0.000 1.026 79 D CA 0.590 54.622 54.000 0.053 0.000 0.884 79 D CB 1.996 42.819 40.800 0.039 0.000 1.384 79 D HN 0.437 nan 8.370 nan 0.000 0.477 80 G N -0.320 108.505 108.800 0.042 0.000 2.229 80 G HA2 -0.131 3.828 3.960 -0.001 0.000 0.189 80 G HA3 -0.131 3.828 3.960 -0.001 0.000 0.189 80 G C 0.710 175.636 174.900 0.044 0.000 1.000 80 G CA 0.217 45.333 45.100 0.026 0.000 0.663 80 G HN 1.007 nan 8.290 nan 0.000 0.493 81 V N -2.252 117.707 119.914 0.075 0.000 0.638 81 V HA 0.016 4.136 4.120 -0.001 0.000 0.092 81 V C -0.262 175.959 176.094 0.211 0.000 1.435 81 V CA 2.038 64.406 62.300 0.114 0.000 3.262 81 V CB -1.118 30.758 31.823 0.089 0.000 0.517 81 V HN 2.379 nan 8.190 nan 0.000 0.521 82 Y N 1.534 121.878 120.300 0.073 0.000 2.189 82 Y HA 0.606 5.155 4.550 -0.001 0.000 0.318 82 Y C -1.371 174.603 175.900 0.123 0.000 1.382 82 Y CA -0.069 58.083 58.100 0.087 0.000 1.442 82 Y CB 0.226 38.738 38.460 0.087 0.000 1.276 82 Y HN 0.725 nan 8.280 nan 0.000 0.413 83 H N 6.242 124.892 119.070 -0.699 0.000 2.782 83 H HA 0.361 4.916 4.556 -0.001 0.000 0.347 83 H C -1.255 173.718 175.328 -0.591 0.000 1.038 83 H CA -0.843 54.808 56.048 -0.662 0.000 1.255 83 H CB 1.937 31.528 29.762 -0.285 0.000 1.623 83 H HN 0.851 nan 8.280 nan 0.000 0.525 84 K N 3.897 123.792 120.400 -0.841 0.000 2.363 84 K HA 0.038 4.357 4.320 -0.001 0.000 0.289 84 K C -0.086 176.344 176.600 -0.283 0.000 1.063 84 K CA 0.571 56.630 56.287 -0.379 0.000 0.967 84 K CB 0.183 32.543 32.500 -0.234 0.000 0.987 84 K HN 0.902 nan 8.250 nan 0.000 0.473 85 E N 1.352 121.514 120.200 -0.064 0.000 4.392 85 E HA -0.086 4.263 4.350 -0.001 0.000 0.379 85 E C 0.107 176.764 176.600 0.094 0.000 0.645 85 E CA 0.177 56.610 56.400 0.055 0.000 1.534 85 E CB -1.138 28.655 29.700 0.154 0.000 1.832 85 E HN 0.892 nan 8.360 nan 0.000 0.328 86 G N 0.490 109.296 108.800 0.010 0.000 2.783 86 G HA2 0.491 4.450 3.960 -0.001 0.000 0.182 86 G HA3 0.491 4.450 3.960 -0.001 0.000 0.182 86 G C 0.192 175.033 174.900 -0.098 0.000 1.516 86 G CA 0.063 45.143 45.100 -0.033 0.000 1.079 86 G HN 0.130 nan 8.290 nan 0.000 0.573 87 E N -1.839 118.296 120.200 -0.109 0.000 2.518 87 E HA 0.636 4.985 4.350 -0.001 0.000 0.241 87 E C -1.675 174.827 176.600 -0.165 0.000 0.899 87 E CA -0.714 55.644 56.400 -0.070 0.000 0.888 87 E CB 1.810 31.514 29.700 0.006 0.000 1.426 87 E HN 0.251 nan 8.360 nan 0.000 0.401 88 F N 0.078 120.061 119.950 0.054 0.000 2.518 88 F HA 0.647 5.174 4.527 -0.001 0.000 0.323 88 F C -0.703 175.116 175.800 0.031 0.000 1.129 88 F CA -0.638 57.390 58.000 0.047 0.000 0.920 88 F CB 2.004 41.026 39.000 0.036 0.000 1.160 88 F HN 0.500 nan 8.300 nan 0.000 0.440 89 A N 5.413 128.383 122.820 0.250 0.000 2.435 89 A HA 0.845 5.164 4.320 -0.001 0.000 0.304 89 A C -2.906 174.731 177.584 0.090 0.000 1.064 89 A CA -2.097 50.022 52.037 0.135 0.000 0.727 89 A CB 1.539 20.596 19.000 0.095 0.000 1.284 89 A HN 0.392 nan 8.150 nan 0.000 0.415 90 P HA 0.335 nan 4.420 nan 0.000 0.269 90 P C -0.735 176.556 177.300 -0.016 0.000 1.217 90 P CA 0.099 63.193 63.100 -0.011 0.000 0.783 90 P CB 0.707 32.400 31.700 -0.011 0.000 0.898 91 V N 0.613 120.487 119.914 -0.067 0.000 3.036 91 V HA 0.251 4.370 4.120 -0.001 0.000 0.280 91 V C -0.315 175.710 176.094 -0.115 0.000 1.497 91 V CA -0.545 61.721 62.300 -0.056 0.000 0.982 91 V CB 2.034 33.839 31.823 -0.031 0.000 1.171 91 V HN 0.682 nan 8.190 nan 0.000 0.444 92 S N 4.113 119.783 115.700 -0.051 0.000 2.580 92 S HA 0.104 4.573 4.470 -0.001 0.000 0.266 92 S C 0.773 175.348 174.600 -0.042 0.000 1.354 92 S CA 1.005 59.189 58.200 -0.026 0.000 1.008 92 S CB 0.524 63.763 63.200 0.065 0.000 0.898 92 S HN 0.735 nan 8.310 nan 0.000 0.555 93 W N 1.292 122.607 121.300 0.026 0.000 2.354 93 W HA -0.084 4.576 4.660 -0.001 0.000 0.315 93 W C 2.369 178.899 176.519 0.018 0.000 1.206 93 W CA 1.269 58.607 57.345 -0.012 0.000 1.290 93 W CB -0.352 29.197 29.460 0.147 0.000 1.152 93 W HN 0.761 nan 8.180 nan 0.000 0.489 94 D N 0.157 120.796 120.400 0.397 0.000 2.127 94 D HA -0.226 4.413 4.640 -0.001 0.000 0.190 94 D C 1.779 178.230 176.300 0.252 0.000 1.000 94 D CA 1.999 56.203 54.000 0.340 0.000 0.839 94 D CB -0.557 40.391 40.800 0.246 0.000 0.955 94 D HN 0.358 nan 8.370 nan 0.000 0.446 95 E N 0.739 121.033 120.200 0.157 0.000 2.049 95 E HA -0.206 4.143 4.350 -0.001 0.000 0.198 95 E C 2.188 178.852 176.600 0.107 0.000 1.007 95 E CA 1.155 57.620 56.400 0.108 0.000 0.809 95 E CB -0.163 29.574 29.700 0.062 0.000 0.749 95 E HN 0.217 nan 8.360 nan 0.000 0.450 96 A N 0.946 123.794 122.820 0.047 0.000 1.917 96 A HA -0.205 4.114 4.320 -0.001 0.000 0.219 96 A C 1.938 179.606 177.584 0.139 0.000 1.182 96 A CA 1.480 53.513 52.037 -0.007 0.000 0.633 96 A CB -0.686 18.190 19.000 -0.208 0.000 0.819 96 A HN 0.170 nan 8.150 nan 0.000 0.448 97 F N 0.387 120.480 119.950 0.239 0.000 2.206 97 F HA -0.037 4.489 4.527 -0.001 0.000 0.298 97 F C 2.000 177.925 175.800 0.208 0.000 1.090 97 F CA 0.815 58.980 58.000 0.274 0.000 1.323 97 F CB -0.743 38.465 39.000 0.347 0.000 1.028 97 F HN 0.214 nan 8.300 nan 0.000 0.492 98 D N 0.079 120.675 120.400 0.328 0.000 2.106 98 D HA -0.161 4.478 4.640 -0.001 0.000 0.191 98 D C 2.538 178.908 176.300 0.117 0.000 0.997 98 D CA 1.444 55.547 54.000 0.171 0.000 0.834 98 D CB -0.599 40.273 40.800 0.120 0.000 0.956 98 D HN 0.075 nan 8.370 nan 0.000 0.448 99 V N 0.745 120.719 119.914 0.100 0.000 2.358 99 V HA -0.179 3.941 4.120 -0.001 0.000 0.246 99 V C 2.398 178.468 176.094 -0.040 0.000 1.047 99 V CA 1.259 63.557 62.300 -0.003 0.000 1.035 99 V CB -0.384 31.418 31.823 -0.034 0.000 0.658 99 V HN 0.234 nan 8.190 nan 0.000 0.452 100 M N -0.329 119.361 119.600 0.150 0.000 2.296 100 M HA -0.088 4.391 4.480 -0.001 0.000 0.265 100 M C 2.001 178.581 176.300 0.466 0.000 1.064 100 M CA 1.728 57.208 55.300 0.301 0.000 1.109 100 M CB -0.138 32.633 32.600 0.284 0.000 1.396 100 M HN 0.402 nan 8.290 nan 0.000 0.430 101 A N -0.210 122.857 122.820 0.412 0.000 1.903 101 A HA 0.135 4.454 4.320 -0.001 0.000 0.213 101 A C 2.228 179.833 177.584 0.035 0.000 1.185 101 A CA 1.224 53.444 52.037 0.304 0.000 0.628 101 A CB -0.832 18.173 19.000 0.008 0.000 0.830 101 A HN 0.542 nan 8.150 nan 0.000 0.446 102 A N -0.637 122.175 122.820 -0.012 0.000 1.865 102 A HA -0.210 4.109 4.320 -0.001 0.000 0.217 102 A C 2.117 179.656 177.584 -0.075 0.000 1.191 102 A CA 1.716 53.712 52.037 -0.067 0.000 0.623 102 A CB -0.595 18.366 19.000 -0.066 0.000 0.826 102 A HN 0.473 nan 8.150 nan 0.000 0.444 103 Q N -0.383 119.343 119.800 -0.125 0.000 2.112 103 Q HA -0.217 4.122 4.340 -0.001 0.000 0.206 103 Q C 2.463 178.465 176.000 0.003 0.000 0.987 103 Q CA 1.744 57.463 55.803 -0.141 0.000 0.858 103 Q CB -0.821 27.602 28.738 -0.526 0.000 0.905 103 Q HN 0.671 nan 8.270 nan 0.000 0.420 104 A N 1.666 124.443 122.820 -0.072 0.000 1.841 104 A HA -0.236 4.083 4.320 -0.001 0.000 0.216 104 A C 2.118 179.572 177.584 -0.217 0.000 1.199 104 A CA 1.902 53.644 52.037 -0.492 0.000 0.621 104 A CB -0.581 18.071 19.000 -0.581 0.000 0.835 104 A HN 0.317 nan 8.150 nan 0.000 0.445 105 K N -0.754 119.605 120.400 -0.068 0.000 2.107 105 K HA -0.242 4.078 4.320 -0.001 0.000 0.211 105 K C 1.945 178.521 176.600 -0.040 0.000 1.049 105 K CA 1.716 57.986 56.287 -0.029 0.000 0.927 105 K CB -0.641 31.823 32.500 -0.061 0.000 0.714 105 K HN 0.486 nan 8.250 nan 0.000 0.452 106 L N 0.974 122.172 121.223 -0.041 0.000 1.943 106 L HA -0.189 4.151 4.340 -0.001 0.000 0.215 106 L C 2.065 178.929 176.870 -0.010 0.000 1.074 106 L CA 1.645 56.473 54.840 -0.020 0.000 0.759 106 L CB -0.848 41.203 42.059 -0.015 0.000 0.888 106 L HN -0.069 nan 8.230 nan 0.000 0.433 107 V N -0.003 119.911 119.914 0.001 0.000 2.317 107 V HA -0.290 3.830 4.120 -0.001 0.000 0.251 107 V C 2.439 178.531 176.094 -0.004 0.000 1.065 107 V CA 1.896 64.210 62.300 0.024 0.000 1.049 107 V CB -0.960 30.912 31.823 0.083 0.000 0.651 107 V HN 0.515 nan 8.190 nan 0.000 0.450 108 L N -0.536 120.658 121.223 -0.048 0.000 2.762 108 L HA 0.080 4.419 4.340 -0.001 0.000 0.250 108 L C 1.493 178.359 176.870 -0.005 0.000 1.160 108 L CA 1.402 56.214 54.840 -0.047 0.000 0.951 108 L CB -0.689 41.300 42.059 -0.117 0.000 1.148 108 L HN 0.137 nan 8.230 nan 0.000 0.424 109 K N -1.931 118.468 120.400 -0.001 0.000 2.601 109 K HA 0.189 4.508 4.320 -0.001 0.000 0.214 109 K C 1.320 177.923 176.600 0.005 0.000 1.628 109 K CA 0.168 56.459 56.287 0.006 0.000 1.036 109 K CB 0.637 33.140 32.500 0.004 0.000 1.352 109 K HN 0.205 nan 8.250 nan 0.000 0.607 110 E N 0.649 120.851 120.200 0.004 0.000 2.201 110 E HA 0.095 4.444 4.350 -0.001 0.000 0.193 110 E C 0.721 177.322 176.600 0.000 0.000 0.957 110 E CA 0.765 57.168 56.400 0.004 0.000 0.858 110 E CB 0.576 30.282 29.700 0.009 0.000 0.816 110 E HN 0.030 nan 8.360 nan 0.000 0.475 111 K N -0.958 119.443 120.400 0.002 0.000 2.529 111 K HA 0.300 4.619 4.320 -0.001 0.000 0.215 111 K C -0.044 176.545 176.600 -0.018 0.000 1.286 111 K CA 0.462 56.744 56.287 -0.009 0.000 0.997 111 K CB 1.881 34.381 32.500 0.000 0.000 1.063 111 K HN 0.110 nan 8.250 nan 0.000 0.590 112 A N 1.629 124.447 122.820 -0.002 0.000 6.365 112 A HA -0.181 4.138 4.320 -0.001 0.000 0.240 112 A C -2.003 175.600 177.584 0.032 0.000 2.238 112 A CA 0.088 52.130 52.037 0.008 0.000 0.699 112 A CB -1.937 17.059 19.000 -0.006 0.000 0.959 112 A HN 0.099 nan 8.150 nan 0.000 0.362 113 P HA -0.196 nan 4.420 nan 0.000 0.218 113 P C 0.773 178.212 177.300 0.231 0.000 1.154 113 P CA 2.140 65.373 63.100 0.221 0.000 0.872 113 P CB -0.431 31.510 31.700 0.402 0.000 0.790 114 E N -1.003 119.154 120.200 -0.072 0.000 2.520 114 E HA 0.078 4.427 4.350 -0.001 0.000 0.201 114 E C 1.331 177.957 176.600 0.043 0.000 1.122 114 E CA 0.503 56.804 56.400 -0.164 0.000 0.896 114 E CB -0.293 29.083 29.700 -0.539 0.000 0.891 114 E HN 0.307 nan 8.360 nan 0.000 0.533 115 A N 0.568 123.452 122.820 0.107 0.000 2.390 115 A HA 0.136 4.455 4.320 -0.001 0.000 0.225 115 A C 0.872 178.589 177.584 0.220 0.000 1.232 115 A CA -0.255 51.859 52.037 0.128 0.000 0.964 115 A CB 0.566 19.613 19.000 0.078 0.000 1.064 115 A HN 0.100 nan 8.150 nan 0.000 0.525 116 V N -1.441 118.629 119.914 0.261 0.000 2.539 116 V HA 0.847 4.966 4.120 -0.001 0.000 0.292 116 V C 0.207 176.570 176.094 0.448 0.000 1.045 116 V CA -0.045 62.476 62.300 0.369 0.000 0.945 116 V CB 1.020 32.966 31.823 0.205 0.000 0.993 116 V HN 0.593 nan 8.190 nan 0.000 0.464 117 G N 3.386 112.520 108.800 0.556 0.000 2.746 117 G HA2 0.631 4.590 3.960 -0.001 0.000 0.297 117 G HA3 0.631 4.590 3.960 -0.001 0.000 0.297 117 G C -1.289 173.840 174.900 0.381 0.000 1.426 117 G CA -0.876 44.540 45.100 0.527 0.000 0.989 117 G HN 0.646 nan 8.290 nan 0.000 0.520 118 M N 1.221 120.996 119.600 0.292 0.000 2.598 118 M HA 0.565 5.045 4.480 -0.001 0.000 0.317 118 M C -1.659 174.720 176.300 0.131 0.000 1.179 118 M CA -0.821 54.568 55.300 0.148 0.000 0.936 118 M CB 2.712 35.465 32.600 0.255 0.000 1.713 118 M HN 0.438 nan 8.290 nan 0.000 0.460 119 F N 1.445 121.244 119.950 -0.251 0.000 2.646 119 F HA 0.581 5.107 4.527 -0.001 0.000 0.364 119 F C 0.080 175.653 175.800 -0.377 0.000 1.137 119 F CA -0.686 57.183 58.000 -0.219 0.000 1.085 119 F CB 0.685 39.582 39.000 -0.171 0.000 1.331 119 F HN 0.563 nan 8.300 nan 0.000 0.472 120 G N 1.846 110.178 108.800 -0.780 0.000 2.509 120 G HA2 0.584 4.543 3.960 -0.001 0.000 0.269 120 G HA3 0.584 4.543 3.960 -0.001 0.000 0.269 120 G C -0.787 173.419 174.900 -1.157 0.000 1.416 120 G CA -0.068 44.157 45.100 -1.458 0.000 1.052 120 G HN 0.833 nan 8.290 nan 0.000 0.542 121 S N -3.231 111.851 115.700 -1.029 0.000 2.596 121 S HA 0.526 4.995 4.470 -0.001 0.000 0.270 121 S C 0.535 175.042 174.600 -0.155 0.000 1.155 121 S CA 0.160 58.058 58.200 -0.504 0.000 0.827 121 S CB 1.331 64.303 63.200 -0.381 0.000 1.130 121 S HN 1.341 nan 8.310 nan 0.000 0.467 122 G N -0.184 108.582 108.800 -0.058 0.000 3.155 122 G HA2 0.184 4.143 3.960 -0.001 0.000 0.213 122 G HA3 0.184 4.143 3.960 -0.001 0.000 0.213 122 G C 0.508 175.444 174.900 0.060 0.000 1.196 122 G CA -0.066 45.065 45.100 0.052 0.000 0.846 122 G HN 0.711 nan 8.290 nan 0.000 0.516 123 Q N -1.365 118.489 119.800 0.090 0.000 2.217 123 Q HA 0.110 4.449 4.340 -0.001 0.000 0.217 123 Q C 0.134 176.368 176.000 0.390 0.000 0.844 123 Q CA -0.717 55.174 55.803 0.147 0.000 0.957 123 Q CB 0.786 29.627 28.738 0.173 0.000 1.127 123 Q HN 0.374 nan 8.270 nan 0.000 0.503 124 W N 2.071 123.470 121.300 0.165 0.000 2.150 124 W HA 0.160 4.820 4.660 -0.001 0.000 0.341 124 W C 0.593 177.233 176.519 0.202 0.000 1.276 124 W CA -0.271 57.154 57.345 0.133 0.000 1.238 124 W CB 0.751 30.216 29.460 0.008 0.000 1.128 124 W HN -0.187 nan 8.180 nan 0.000 0.581 125 T N 4.531 119.229 114.554 0.239 0.000 2.868 125 T HA 0.101 4.451 4.350 -0.001 0.000 0.292 125 T C 1.961 176.448 174.700 -0.356 0.000 1.028 125 T CA -0.464 61.508 62.100 -0.213 0.000 1.059 125 T CB 0.700 69.195 68.868 -0.622 0.000 0.991 125 T HN 0.261 nan 8.240 nan 0.000 0.531 126 I N 0.278 120.506 120.570 -0.571 0.000 2.113 126 I HA -0.264 3.905 4.170 -0.001 0.000 0.242 126 I C 2.113 177.992 176.117 -0.397 0.000 1.064 126 I CA 1.969 62.992 61.300 -0.463 0.000 1.320 126 I CB -0.289 37.443 38.000 -0.448 0.000 1.028 126 I HN 0.855 nan 8.210 nan 0.000 0.406 127 W N 0.990 122.176 121.300 -0.189 0.000 2.699 127 W HA 0.025 4.684 4.660 -0.001 0.000 0.249 127 W C 1.850 178.223 176.519 -0.244 0.000 1.280 127 W CA 0.151 57.408 57.345 -0.147 0.000 1.345 127 W CB -1.076 28.325 29.460 -0.100 0.000 1.128 127 W HN 0.095 nan 8.180 nan 0.000 0.642 128 E N 0.638 120.703 120.200 -0.225 0.000 2.122 128 E HA -0.003 4.347 4.350 -0.001 0.000 0.190 128 E C 2.504 178.480 176.600 -1.039 0.000 0.977 128 E CA 1.029 57.100 56.400 -0.548 0.000 0.820 128 E CB -0.442 28.906 29.700 -0.586 0.000 0.770 128 E HN 0.453 nan 8.360 nan 0.000 0.462 129 G N 0.193 108.552 108.800 -0.736 0.000 2.511 129 G HA2 -0.225 3.734 3.960 -0.001 0.000 0.217 129 G HA3 -0.225 3.734 3.960 -0.001 0.000 0.217 129 G C 1.271 175.950 174.900 -0.368 0.000 1.133 129 G CA 0.139 44.867 45.100 -0.621 0.000 0.792 129 G HN 0.249 nan 8.290 nan 0.000 0.539 130 Y N 1.319 121.366 120.300 -0.421 0.000 2.201 130 Y HA 0.201 4.750 4.550 -0.001 0.000 0.292 130 Y C 2.937 178.677 175.900 -0.265 0.000 1.119 130 Y CA 1.099 59.014 58.100 -0.309 0.000 1.127 130 Y CB 0.063 38.359 38.460 -0.274 0.000 1.019 130 Y HN 0.218 nan 8.280 nan 0.000 0.514 131 A N 0.614 123.270 122.820 -0.274 0.000 1.978 131 A HA -0.201 4.119 4.320 -0.001 0.000 0.220 131 A C 2.257 179.654 177.584 -0.312 0.000 1.170 131 A CA 1.827 53.712 52.037 -0.253 0.000 0.636 131 A CB -1.330 17.516 19.000 -0.258 0.000 0.810 131 A HN 0.618 nan 8.150 nan 0.000 0.448 132 A N -1.070 121.474 122.820 -0.461 0.000 1.872 132 A HA -0.049 4.270 4.320 -0.001 0.000 0.214 132 A C 2.466 179.894 177.584 -0.260 0.000 1.187 132 A CA 1.966 53.770 52.037 -0.389 0.000 0.614 132 A CB -1.061 17.540 19.000 -0.665 0.000 0.826 132 A HN 0.527 nan 8.150 nan 0.000 0.442 133 S N -0.574 114.964 115.700 -0.269 0.000 2.365 133 S HA -0.240 4.230 4.470 -0.001 0.000 0.225 133 S C 2.103 176.508 174.600 -0.325 0.000 1.039 133 S CA 2.119 60.215 58.200 -0.172 0.000 1.033 133 S CB -0.324 62.834 63.200 -0.070 0.000 0.887 133 S HN 0.561 nan 8.310 nan 0.000 0.447 134 K N 0.091 120.094 120.400 -0.662 0.000 1.991 134 K HA -0.132 4.187 4.320 -0.001 0.000 0.212 134 K C 2.119 178.341 176.600 -0.630 0.000 1.049 134 K CA 1.717 57.389 56.287 -1.025 0.000 0.932 134 K CB -0.481 31.268 32.500 -1.252 0.000 0.717 134 K HN 0.346 nan 8.250 nan 0.000 0.441 135 L N 0.751 121.699 121.223 -0.459 0.000 2.042 135 L HA -0.204 4.136 4.340 -0.001 0.000 0.210 135 L C 2.033 178.660 176.870 -0.405 0.000 1.076 135 L CA 1.803 56.390 54.840 -0.421 0.000 0.749 135 L CB -0.337 41.584 42.059 -0.231 0.000 0.893 135 L HN 0.270 nan 8.230 nan 0.000 0.432 136 M N -1.023 118.469 119.600 -0.181 0.000 2.200 136 M HA -0.100 4.380 4.480 -0.001 0.000 0.265 136 M C 2.392 178.698 176.300 0.009 0.000 1.066 136 M CA 1.576 56.882 55.300 0.010 0.000 1.127 136 M CB -0.756 31.911 32.600 0.112 0.000 1.379 136 M HN 0.309 nan 8.290 nan 0.000 0.420 137 R N -0.670 119.792 120.500 -0.064 0.000 2.056 137 R HA 0.230 4.569 4.340 -0.001 0.000 0.215 137 R C 2.256 178.541 176.300 -0.024 0.000 1.205 137 R CA 0.947 57.037 56.100 -0.017 0.000 1.020 137 R CB -0.645 29.679 30.300 0.039 0.000 0.911 137 R HN 0.271 nan 8.270 nan 0.000 0.451 138 A N 0.891 123.667 122.820 -0.074 0.000 2.019 138 A HA -0.008 4.311 4.320 -0.001 0.000 0.219 138 A C 1.901 179.502 177.584 0.029 0.000 1.164 138 A CA 1.747 53.749 52.037 -0.058 0.000 0.644 138 A CB -0.851 18.057 19.000 -0.153 0.000 0.805 138 A HN 0.458 nan 8.150 nan 0.000 0.449 139 G N -1.288 107.449 108.800 -0.105 0.000 2.632 139 G HA2 0.133 4.092 3.960 -0.001 0.000 0.220 139 G HA3 0.133 4.092 3.960 -0.001 0.000 0.220 139 G C 1.041 175.981 174.900 0.067 0.000 1.439 139 G CA 0.388 45.415 45.100 -0.122 0.000 0.934 139 G HN 0.403 nan 8.290 nan 0.000 0.536 140 F N 0.867 120.797 119.950 -0.034 0.000 2.722 140 F HA 0.176 4.702 4.527 -0.001 0.000 0.298 140 F C 1.172 177.028 175.800 0.095 0.000 1.175 140 F CA 0.044 58.031 58.000 -0.022 0.000 1.462 140 F CB 0.025 38.982 39.000 -0.072 0.000 1.111 140 F HN 0.020 nan 8.300 nan 0.000 0.592 141 R N 0.845 121.486 120.500 0.235 0.000 3.333 141 R HA -0.196 4.144 4.340 -0.001 0.000 0.256 141 R C -0.309 176.166 176.300 0.292 0.000 1.010 141 R CA 0.628 56.838 56.100 0.184 0.000 0.680 141 R CB -1.860 28.542 30.300 0.169 0.000 1.102 141 R HN 0.226 nan 8.270 nan 0.000 0.440 142 S N -0.317 115.526 115.700 0.238 0.000 2.557 142 S HA 0.405 4.874 4.470 -0.001 0.000 0.291 142 S C 0.235 174.776 174.600 -0.100 0.000 1.116 142 S CA -0.949 57.413 58.200 0.271 0.000 0.992 142 S CB 1.327 64.803 63.200 0.460 0.000 1.028 142 S HN 0.268 nan 8.310 nan 0.000 0.484 143 N N 3.766 122.067 118.700 -0.665 0.000 2.295 143 N HA 0.149 4.888 4.740 -0.001 0.000 0.221 143 N C -0.108 175.328 175.510 -0.123 0.000 1.129 143 N CA 0.014 52.792 53.050 -0.452 0.000 0.836 143 N CB -0.178 37.895 38.487 -0.689 0.000 1.040 143 N HN 0.683 nan 8.380 nan 0.000 0.494 144 N N 0.851 119.614 118.700 0.105 0.000 2.484 144 N HA 0.024 4.763 4.740 -0.001 0.000 0.245 144 N C -0.666 175.012 175.510 0.280 0.000 1.184 144 N CA -0.148 53.077 53.050 0.290 0.000 0.884 144 N CB 0.160 38.904 38.487 0.428 0.000 1.182 144 N HN 0.074 nan 8.380 nan 0.000 0.493 145 L N 0.484 121.833 121.223 0.209 0.000 2.276 145 L HA 0.481 4.820 4.340 -0.001 0.000 0.286 145 L C -1.000 175.983 176.870 0.189 0.000 1.024 145 L CA -0.194 54.770 54.840 0.207 0.000 0.826 145 L CB 1.087 43.245 42.059 0.164 0.000 1.211 145 L HN -0.099 nan 8.230 nan 0.000 0.422 146 D N 6.242 126.765 120.400 0.206 0.000 2.547 146 D HA 0.702 5.342 4.640 -0.001 0.000 0.231 146 D C -2.942 173.274 176.300 -0.140 0.000 1.099 146 D CA -1.219 52.860 54.000 0.132 0.000 0.901 146 D CB 3.205 44.205 40.800 0.333 0.000 1.478 146 D HN 0.340 nan 8.370 nan 0.000 0.471 147 P HA 0.274 nan 4.420 nan 0.000 0.290 147 P C -0.095 176.681 177.300 -0.873 0.000 1.302 147 P CA -0.440 62.175 63.100 -0.808 0.000 0.893 147 P CB 1.294 32.538 31.700 -0.760 0.000 1.272 148 N N -0.091 118.060 118.700 -0.915 0.000 2.459 148 N HA -0.089 4.650 4.740 -0.001 0.000 0.181 148 N C 1.480 176.858 175.510 -0.220 0.000 1.046 148 N CA 1.147 53.889 53.050 -0.513 0.000 0.904 148 N CB -1.539 36.769 38.487 -0.298 0.000 0.964 148 N HN 0.362 nan 8.380 nan 0.000 0.444 149 A N 0.859 123.545 122.820 -0.224 0.000 2.178 149 A HA -0.057 4.262 4.320 -0.001 0.000 0.218 149 A C 2.270 179.964 177.584 0.184 0.000 1.157 149 A CA 0.981 53.027 52.037 0.015 0.000 0.689 149 A CB -0.689 18.329 19.000 0.030 0.000 0.787 149 A HN 0.354 nan 8.150 nan 0.000 0.465 150 R N -0.781 119.762 120.500 0.071 0.000 2.115 150 R HA -0.141 4.198 4.340 -0.001 0.000 0.230 150 R C 1.677 178.136 176.300 0.265 0.000 1.111 150 R CA 1.645 57.890 56.100 0.242 0.000 0.976 150 R CB -0.376 30.027 30.300 0.171 0.000 0.870 150 R HN 0.609 nan 8.270 nan 0.000 0.445 151 H N -1.545 117.687 119.070 0.270 0.000 2.529 151 H HA -0.010 4.546 4.556 -0.001 0.000 0.277 151 H C 1.752 177.240 175.328 0.265 0.000 0.999 151 H CA 0.959 57.190 56.048 0.305 0.000 1.256 151 H CB -0.254 29.676 29.762 0.281 0.000 1.402 151 H HN 0.329 nan 8.280 nan 0.000 0.566 152 C N -0.320 119.176 119.300 0.326 0.000 2.508 152 C HA 0.121 4.580 4.460 -0.001 0.000 0.303 152 C C 1.925 177.083 174.990 0.280 0.000 1.496 152 C CA 0.119 59.299 59.018 0.269 0.000 2.041 152 C CB -0.336 27.531 27.740 0.213 0.000 2.011 152 C HN 0.273 nan 8.230 nan 0.000 0.655 153 M N 1.322 121.103 119.600 0.301 0.000 2.333 153 M HA 0.318 4.797 4.480 -0.001 0.000 0.257 153 M C 1.904 178.372 176.300 0.280 0.000 1.078 153 M CA 0.609 56.086 55.300 0.296 0.000 1.005 153 M CB -1.316 31.469 32.600 0.308 0.000 1.444 153 M HN 0.508 nan 8.290 nan 0.000 0.496 154 A N 0.397 123.394 122.820 0.296 0.000 1.873 154 A HA -0.180 4.140 4.320 -0.001 0.000 0.218 154 A C 2.448 180.121 177.584 0.148 0.000 1.193 154 A CA 2.535 54.699 52.037 0.212 0.000 0.629 154 A CB -0.861 18.285 19.000 0.245 0.000 0.826 154 A HN 0.437 nan 8.150 nan 0.000 0.447 155 S N -0.255 115.542 115.700 0.161 0.000 2.359 155 S HA -0.156 4.314 4.470 -0.001 0.000 0.223 155 S C 2.349 177.022 174.600 0.122 0.000 1.039 155 S CA 1.607 59.878 58.200 0.119 0.000 1.042 155 S CB -0.678 62.602 63.200 0.132 0.000 0.915 155 S HN 0.878 nan 8.310 nan 0.000 0.439 156 A N 1.500 124.435 122.820 0.190 0.000 1.883 156 A HA 0.032 4.351 4.320 -0.001 0.000 0.217 156 A C 2.374 180.071 177.584 0.188 0.000 1.186 156 A CA 1.939 54.087 52.037 0.186 0.000 0.624 156 A CB -1.184 17.970 19.000 0.257 0.000 0.822 156 A HN 0.546 nan 8.150 nan 0.000 0.444 157 A N -1.290 121.701 122.820 0.285 0.000 1.902 157 A HA -0.079 4.240 4.320 -0.001 0.000 0.217 157 A C 2.321 180.046 177.584 0.234 0.000 1.181 157 A CA 2.306 54.550 52.037 0.344 0.000 0.623 157 A CB -1.305 17.780 19.000 0.142 0.000 0.818 157 A HN 0.425 nan 8.150 nan 0.000 0.443 158 T N 0.257 114.884 114.554 0.122 0.000 2.684 158 T HA -0.067 4.282 4.350 -0.001 0.000 0.267 158 T C 2.196 176.940 174.700 0.072 0.000 1.036 158 T CA 1.777 63.926 62.100 0.081 0.000 1.148 158 T CB -0.454 68.440 68.868 0.042 0.000 0.863 158 T HN 0.598 nan 8.240 nan 0.000 0.436 159 A N 0.208 123.026 122.820 -0.003 0.000 2.019 159 A HA 0.037 4.356 4.320 -0.001 0.000 0.219 159 A C 2.006 179.545 177.584 -0.076 0.000 1.164 159 A CA 1.076 52.986 52.037 -0.212 0.000 0.644 159 A CB -0.982 17.796 19.000 -0.369 0.000 0.805 159 A HN 0.526 nan 8.150 nan 0.000 0.449 160 F N -0.543 119.464 119.950 0.094 0.000 2.069 160 F HA -0.286 4.240 4.527 -0.001 0.000 0.298 160 F C 2.708 178.575 175.800 0.112 0.000 1.113 160 F CA 1.505 59.593 58.000 0.146 0.000 1.214 160 F CB -0.176 38.910 39.000 0.143 0.000 0.978 160 F HN 0.132 nan 8.300 nan 0.000 0.474 161 M N 0.126 119.906 119.600 0.300 0.000 2.065 161 M HA -0.213 4.267 4.480 -0.001 0.000 0.259 161 M C 2.126 178.495 176.300 0.114 0.000 1.071 161 M CA 1.780 57.192 55.300 0.187 0.000 1.109 161 M CB -1.468 31.223 32.600 0.152 0.000 1.313 161 M HN 0.104 nan 8.290 nan 0.000 0.408 162 R N -0.012 120.547 120.500 0.098 0.000 2.115 162 R HA -0.172 4.167 4.340 -0.001 0.000 0.239 162 R C 2.244 178.544 176.300 0.001 0.000 1.133 162 R CA 2.372 58.527 56.100 0.091 0.000 0.935 162 R CB -1.301 29.134 30.300 0.225 0.000 0.853 162 R HN 0.612 nan 8.270 nan 0.000 0.433 163 T N -2.126 112.366 114.554 -0.104 0.000 2.942 163 T HA -0.001 4.349 4.350 -0.001 0.000 0.265 163 T C 1.460 175.681 174.700 -0.798 0.000 1.062 163 T CA 0.861 62.664 62.100 -0.496 0.000 1.139 163 T CB -0.027 68.332 68.868 -0.848 0.000 0.883 163 T HN 0.174 nan 8.240 nan 0.000 0.468 164 F N 0.671 120.494 119.950 -0.212 0.000 2.728 164 F HA 0.529 5.056 4.527 -0.001 0.000 0.314 164 F C 1.953 177.675 175.800 -0.131 0.000 1.094 164 F CA -0.260 57.585 58.000 -0.258 0.000 1.217 164 F CB 0.355 39.230 39.000 -0.208 0.000 1.056 164 F HN 0.319 nan 8.300 nan 0.000 0.577 165 G N 1.197 110.061 108.800 0.107 0.000 2.168 165 G HA2 -0.328 3.631 3.960 -0.001 0.000 0.263 165 G HA3 -0.328 3.631 3.960 -0.001 0.000 0.263 165 G C 0.120 175.107 174.900 0.144 0.000 0.977 165 G CA 0.562 45.724 45.100 0.103 0.000 0.659 165 G HN 0.337 nan 8.290 nan 0.000 0.533 166 M N -0.287 119.422 119.600 0.182 0.000 2.413 166 M HA 0.361 4.841 4.480 -0.001 0.000 0.287 166 M C -1.169 175.183 176.300 0.088 0.000 1.186 166 M CA -0.782 54.621 55.300 0.170 0.000 0.927 166 M CB 1.888 34.592 32.600 0.174 0.000 1.715 166 M HN 0.116 nan 8.290 nan 0.000 0.478 167 D N 2.003 122.426 120.400 0.039 0.000 2.411 167 D HA 0.314 4.954 4.640 -0.001 0.000 0.251 167 D C -0.754 175.166 176.300 -0.634 0.000 1.201 167 D CA 1.095 54.953 54.000 -0.237 0.000 0.996 167 D CB 0.794 41.594 40.800 0.002 0.000 1.101 167 D HN 0.522 nan 8.370 nan 0.000 0.504 168 E N -1.697 117.820 120.200 -1.138 0.000 8.367 168 E HA -0.143 4.206 4.350 -0.001 0.000 0.467 168 E C -2.451 173.463 176.600 -1.144 0.000 0.968 168 E CA -0.030 55.821 56.400 -0.915 0.000 1.684 168 E CB -1.657 27.834 29.700 -0.347 0.000 0.997 168 E HN 0.337 nan 8.360 nan 0.000 0.275 169 P HA 0.014 nan 4.420 nan 0.000 0.270 169 P C 1.056 178.135 177.300 -0.368 0.000 1.227 169 P CA -0.027 62.907 63.100 -0.277 0.000 0.788 169 P CB 0.295 31.731 31.700 -0.441 0.000 0.926 170 M N -0.612 118.849 119.600 -0.231 0.000 2.382 170 M HA 0.312 4.791 4.480 -0.001 0.000 0.247 170 M C 0.633 176.863 176.300 -0.116 0.000 1.104 170 M CA 0.549 55.672 55.300 -0.295 0.000 1.030 170 M CB -0.927 31.563 32.600 -0.183 0.000 1.424 170 M HN 0.212 nan 8.290 nan 0.000 0.486 171 G N 1.239 110.041 108.800 0.004 0.000 2.857 171 G HA2 0.648 4.608 3.960 -0.001 0.000 0.217 171 G HA3 0.648 4.608 3.960 -0.001 0.000 0.217 171 G C -0.737 174.073 174.900 -0.150 0.000 1.357 171 G CA 0.105 45.239 45.100 0.058 0.000 1.033 171 G HN 0.759 nan 8.290 nan 0.000 0.571 172 C N -4.119 115.023 119.300 -0.264 0.000 3.275 172 C HA 0.451 4.910 4.460 -0.001 0.000 0.340 172 C C 0.942 175.688 174.990 -0.407 0.000 1.366 172 C CA -1.110 57.668 59.018 -0.400 0.000 1.227 172 C CB -0.326 26.996 27.740 -0.697 0.000 1.512 172 C HN 0.850 nan 8.230 nan 0.000 0.461 173 Y N 0.171 120.263 120.300 -0.348 0.000 2.298 173 Y HA -0.219 4.330 4.550 -0.001 0.000 0.287 173 Y C 1.883 177.779 175.900 -0.007 0.000 1.164 173 Y CA 1.640 59.662 58.100 -0.129 0.000 1.229 173 Y CB -0.239 38.299 38.460 0.130 0.000 0.977 173 Y HN 0.780 nan 8.280 nan 0.000 0.538 174 D N 0.191 120.617 120.400 0.043 0.000 2.271 174 D HA -0.167 4.473 4.640 -0.001 0.000 0.207 174 D C 1.485 177.877 176.300 0.153 0.000 0.983 174 D CA 1.289 55.335 54.000 0.076 0.000 0.878 174 D CB -0.208 40.528 40.800 -0.107 0.000 0.920 174 D HN 0.322 nan 8.370 nan 0.000 0.479 175 D N -0.661 119.762 120.400 0.038 0.000 2.144 175 D HA -0.124 4.516 4.640 -0.001 0.000 0.200 175 D C 1.769 178.057 176.300 -0.020 0.000 0.978 175 D CA 0.476 54.477 54.000 0.001 0.000 0.833 175 D CB -0.313 40.402 40.800 -0.142 0.000 0.961 175 D HN 0.320 nan 8.370 nan 0.000 0.470 176 F N 1.166 121.168 119.950 0.088 0.000 2.147 176 F HA -0.207 4.319 4.527 -0.001 0.000 0.301 176 F C 2.250 178.166 175.800 0.194 0.000 1.084 176 F CA 1.036 59.151 58.000 0.192 0.000 1.268 176 F CB -0.045 38.990 39.000 0.057 0.000 1.009 176 F HN -0.083 nan 8.300 nan 0.000 0.486 177 E N -0.613 119.763 120.200 0.294 0.000 2.385 177 E HA 0.061 4.410 4.350 -0.001 0.000 0.194 177 E C 1.837 178.521 176.600 0.141 0.000 1.013 177 E CA 0.702 57.226 56.400 0.207 0.000 0.866 177 E CB -0.057 29.744 29.700 0.169 0.000 0.832 177 E HN 0.329 nan 8.360 nan 0.000 0.500 178 A N 0.467 123.345 122.820 0.097 0.000 2.085 178 A HA 0.511 4.831 4.320 -0.001 0.000 0.208 178 A C 1.378 178.933 177.584 -0.048 0.000 1.191 178 A CA 0.360 52.412 52.037 0.026 0.000 0.799 178 A CB -0.072 18.943 19.000 0.025 0.000 0.877 178 A HN 0.219 nan 8.150 nan 0.000 0.473 179 A N 0.159 122.894 122.820 -0.142 0.000 2.521 179 A HA 0.261 4.580 4.320 -0.001 0.000 0.237 179 A C 0.480 177.903 177.584 -0.268 0.000 1.087 179 A CA 0.740 52.561 52.037 -0.359 0.000 0.777 179 A CB 0.110 18.559 19.000 -0.918 0.000 1.035 179 A HN 0.303 nan 8.150 nan 0.000 0.510 180 D N -0.685 119.564 120.400 -0.253 0.000 2.449 180 D HA 0.445 5.084 4.640 -0.001 0.000 0.210 180 D C 0.032 176.269 176.300 -0.105 0.000 1.094 180 D CA 1.443 55.438 54.000 -0.010 0.000 0.846 180 D CB 0.729 41.606 40.800 0.129 0.000 1.003 180 D HN 0.894 nan 8.370 nan 0.000 0.504 181 A N 0.170 122.685 122.820 -0.509 0.000 2.596 181 A HA 0.455 4.774 4.320 -0.001 0.000 0.305 181 A C -1.852 174.867 177.584 -1.441 0.000 1.032 181 A CA -0.719 50.913 52.037 -0.676 0.000 0.776 181 A CB 0.039 18.907 19.000 -0.220 0.000 1.253 181 A HN -0.059 nan 8.150 nan 0.000 0.402 182 F N 1.139 120.596 119.950 -0.822 0.000 2.436 182 F HA 0.617 5.143 4.527 -0.001 0.000 0.340 182 F C 0.312 175.793 175.800 -0.532 0.000 1.113 182 F CA -0.789 56.814 58.000 -0.662 0.000 1.022 182 F CB 2.232 41.082 39.000 -0.251 0.000 1.128 182 F HN 0.308 nan 8.300 nan 0.000 0.466 183 V N 4.987 124.736 119.914 -0.274 0.000 2.357 183 V HA 0.335 4.454 4.120 -0.001 0.000 0.284 183 V C -0.524 175.650 176.094 0.134 0.000 1.018 183 V CA -0.642 61.680 62.300 0.037 0.000 0.841 183 V CB 1.670 33.709 31.823 0.361 0.000 0.991 183 V HN 0.519 nan 8.190 nan 0.000 0.437 184 L N 5.597 126.844 121.223 0.041 0.000 2.287 184 L HA 0.413 4.752 4.340 -0.001 0.000 0.280 184 L C -0.565 176.294 176.870 -0.019 0.000 1.055 184 L CA 0.128 55.023 54.840 0.093 0.000 0.863 184 L CB 0.608 42.726 42.059 0.098 0.000 1.245 184 L HN 0.648 nan 8.230 nan 0.000 0.432 185 W N 4.856 126.190 121.300 0.056 0.000 1.828 185 W HA 0.399 5.059 4.660 -0.001 0.000 0.470 185 W C 1.439 177.857 176.519 -0.169 0.000 0.786 185 W CA 0.161 57.419 57.345 -0.144 0.000 1.816 185 W CB 0.194 29.296 29.460 -0.597 0.000 1.798 185 W HN 0.766 nan 8.180 nan 0.000 0.252 186 G N 1.157 110.050 108.800 0.155 0.000 2.143 186 G HA2 -0.289 3.670 3.960 -0.001 0.000 0.248 186 G HA3 -0.289 3.670 3.960 -0.001 0.000 0.248 186 G C 0.456 175.405 174.900 0.082 0.000 0.991 186 G CA 0.092 45.283 45.100 0.151 0.000 0.689 186 G HN 0.348 nan 8.290 nan 0.000 0.522 187 S N -0.728 115.005 115.700 0.055 0.000 2.652 187 S HA 0.578 5.047 4.470 -0.001 0.000 0.270 187 S C 0.650 175.158 174.600 -0.155 0.000 1.243 187 S CA -0.099 58.099 58.200 -0.002 0.000 0.999 187 S CB 1.050 64.258 63.200 0.012 0.000 0.973 187 S HN 0.469 nan 8.310 nan 0.000 0.544 188 N N 1.886 120.430 118.700 -0.260 0.000 2.672 188 N HA 0.184 4.923 4.740 -0.001 0.000 0.295 188 N C 0.983 176.193 175.510 -0.501 0.000 1.924 188 N CA -0.080 52.614 53.050 -0.594 0.000 0.851 188 N CB 0.025 38.190 38.487 -0.536 0.000 1.281 188 N HN 0.543 nan 8.380 nan 0.000 0.494 189 M N 0.081 119.376 119.600 -0.508 0.000 2.108 189 M HA -0.204 4.276 4.480 -0.001 0.000 0.257 189 M C 2.353 178.334 176.300 -0.532 0.000 1.071 189 M CA 1.819 56.909 55.300 -0.352 0.000 1.093 189 M CB -0.496 31.989 32.600 -0.192 0.000 1.345 189 M HN 0.442 nan 8.290 nan 0.000 0.403 190 A N 0.166 122.261 122.820 -1.209 0.000 2.009 190 A HA -0.227 4.093 4.320 -0.001 0.000 0.222 190 A C 1.917 179.262 177.584 -0.398 0.000 1.175 190 A CA 2.225 53.651 52.037 -1.018 0.000 0.651 190 A CB -0.570 17.828 19.000 -1.004 0.000 0.815 190 A HN 0.669 nan 8.150 nan 0.000 0.459 191 E N -2.465 117.521 120.200 -0.356 0.000 2.453 191 E HA 0.098 4.447 4.350 -0.001 0.000 0.211 191 E C 1.111 177.616 176.600 -0.159 0.000 0.897 191 E CA 0.172 56.444 56.400 -0.214 0.000 1.063 191 E CB 0.224 29.802 29.700 -0.203 0.000 1.080 191 E HN 0.513 nan 8.360 nan 0.000 0.512 192 M N -0.498 119.022 119.600 -0.134 0.000 2.421 192 M HA 0.191 4.670 4.480 -0.001 0.000 0.258 192 M C 0.064 176.267 176.300 -0.162 0.000 1.122 192 M CA 0.751 56.002 55.300 -0.081 0.000 1.078 192 M CB -0.270 32.347 32.600 0.028 0.000 1.380 192 M HN -0.026 nan 8.290 nan 0.000 0.499 193 H N -1.081 117.947 119.070 -0.071 0.000 2.695 193 H HA 0.276 4.832 4.556 -0.001 0.000 0.222 193 H C -2.025 173.265 175.328 -0.064 0.000 1.412 193 H CA -0.978 55.045 56.048 -0.041 0.000 1.347 193 H CB 0.492 30.248 29.762 -0.010 0.000 1.858 193 H HN -0.040 nan 8.280 nan 0.000 0.519 194 P HA -0.209 nan 4.420 nan 0.000 0.214 194 P C 1.393 178.687 177.300 -0.010 0.000 1.163 194 P CA 1.104 64.208 63.100 0.008 0.000 0.889 194 P CB 0.379 32.057 31.700 -0.037 0.000 0.790 195 I N -1.675 118.848 120.570 -0.079 0.000 2.614 195 I HA -0.123 4.047 4.170 -0.001 0.000 0.258 195 I C 2.170 178.130 176.117 -0.260 0.000 1.189 195 I CA 1.171 62.385 61.300 -0.143 0.000 1.462 195 I CB -1.402 36.514 38.000 -0.140 0.000 1.092 195 I HN 0.021 nan 8.210 nan 0.000 0.442 196 L N -1.194 119.862 121.223 -0.278 0.000 2.095 196 L HA -0.160 4.180 4.340 -0.001 0.000 0.204 196 L C 2.504 179.034 176.870 -0.567 0.000 1.080 196 L CA 1.036 55.507 54.840 -0.615 0.000 0.759 196 L CB -0.495 41.281 42.059 -0.472 0.000 0.914 196 L HN 0.430 nan 8.230 nan 0.000 0.439 197 W N 0.505 121.551 121.300 -0.422 0.000 2.392 197 W HA -0.234 4.425 4.660 -0.001 0.000 0.279 197 W C 2.609 178.919 176.519 -0.348 0.000 1.225 197 W CA 1.462 58.594 57.345 -0.355 0.000 1.233 197 W CB 0.161 29.484 29.460 -0.228 0.000 1.122 197 W HN 0.200 nan 8.180 nan 0.000 0.561 198 S N 0.663 116.220 115.700 -0.238 0.000 2.368 198 S HA -0.171 4.298 4.470 -0.001 0.000 0.224 198 S C 1.920 176.292 174.600 -0.379 0.000 1.029 198 S CA 1.095 59.124 58.200 -0.285 0.000 0.988 198 S CB -0.365 62.730 63.200 -0.176 0.000 0.838 198 S HN 0.293 nan 8.310 nan 0.000 0.462 199 R N -0.039 120.190 120.500 -0.452 0.000 2.092 199 R HA -0.014 4.325 4.340 -0.001 0.000 0.231 199 R C 2.302 178.319 176.300 -0.472 0.000 1.119 199 R CA 1.451 57.276 56.100 -0.458 0.000 0.970 199 R CB -0.373 29.561 30.300 -0.611 0.000 0.864 199 R HN 0.487 nan 8.270 nan 0.000 0.440 200 L N 0.051 120.858 121.223 -0.694 0.000 2.095 200 L HA -0.025 4.314 4.340 -0.001 0.000 0.204 200 L C 1.675 178.066 176.870 -0.798 0.000 1.080 200 L CA 1.980 56.338 54.840 -0.802 0.000 0.759 200 L CB -0.952 40.503 42.059 -1.007 0.000 0.914 200 L HN -0.037 nan 8.230 nan 0.000 0.439 201 T N -0.127 113.923 114.554 -0.839 0.000 2.746 201 T HA -0.172 4.178 4.350 -0.001 0.000 0.267 201 T C 1.541 175.999 174.700 -0.404 0.000 1.039 201 T CA 1.547 63.236 62.100 -0.686 0.000 1.142 201 T CB -0.352 68.101 68.868 -0.692 0.000 0.866 201 T HN 0.482 nan 8.240 nan 0.000 0.444 202 D N 0.883 121.084 120.400 -0.332 0.000 2.117 202 D HA -0.119 4.521 4.640 -0.001 0.000 0.197 202 D C 2.305 178.496 176.300 -0.182 0.000 0.987 202 D CA 1.045 54.911 54.000 -0.222 0.000 0.829 202 D CB -0.119 40.575 40.800 -0.177 0.000 0.961 202 D HN 0.130 nan 8.370 nan 0.000 0.460 203 R N 0.447 120.863 120.500 -0.139 0.000 2.066 203 R HA -0.070 4.270 4.340 -0.001 0.000 0.232 203 R C 2.259 178.544 176.300 -0.025 0.000 1.131 203 R CA 1.877 57.981 56.100 0.007 0.000 0.955 203 R CB -0.599 29.802 30.300 0.168 0.000 0.851 203 R HN 0.057 nan 8.270 nan 0.000 0.432 204 R N -0.034 120.394 120.500 -0.120 0.000 2.073 204 R HA -0.020 4.319 4.340 -0.001 0.000 0.234 204 R C 1.829 178.050 176.300 -0.131 0.000 1.134 204 R CA 1.652 57.681 56.100 -0.118 0.000 0.952 204 R CB -0.897 29.274 30.300 -0.215 0.000 0.850 204 R HN 0.316 nan 8.270 nan 0.000 0.433 205 L N 0.413 121.533 121.223 -0.173 0.000 2.217 205 L HA 0.083 4.422 4.340 -0.001 0.000 0.211 205 L C 2.134 178.905 176.870 -0.165 0.000 1.107 205 L CA 1.590 56.339 54.840 -0.152 0.000 0.783 205 L CB -0.583 41.381 42.059 -0.159 0.000 0.919 205 L HN 0.182 nan 8.230 nan 0.000 0.442 206 S N -1.999 113.561 115.700 -0.233 0.000 2.446 206 S HA 0.042 4.511 4.470 -0.001 0.000 0.225 206 S C 0.310 174.601 174.600 -0.514 0.000 1.016 206 S CA 0.483 58.455 58.200 -0.380 0.000 0.943 206 S CB -0.133 62.773 63.200 -0.491 0.000 0.786 206 S HN 0.373 nan 8.310 nan 0.000 0.508 207 H N 1.238 120.266 119.070 -0.069 0.000 2.887 207 H HA 0.305 4.860 4.556 -0.001 0.000 0.300 207 H C -0.008 175.245 175.328 -0.125 0.000 1.038 207 H CA -0.580 55.426 56.048 -0.071 0.000 1.352 207 H CB 0.844 30.544 29.762 -0.102 0.000 1.473 207 H HN 0.147 nan 8.280 nan 0.000 0.503 208 E N 1.192 121.420 120.200 0.047 0.000 2.515 208 E HA -0.132 4.217 4.350 -0.001 0.000 0.201 208 E C 1.703 178.335 176.600 0.053 0.000 1.071 208 E CA 0.408 56.823 56.400 0.025 0.000 0.880 208 E CB 0.014 29.734 29.700 0.035 0.000 0.828 208 E HN 0.727 nan 8.360 nan 0.000 0.540 209 H N -0.804 118.319 119.070 0.088 0.000 2.535 209 H HA 0.084 4.639 4.556 -0.001 0.000 0.273 209 H C 0.578 175.953 175.328 0.079 0.000 0.983 209 H CA 0.101 56.191 56.048 0.070 0.000 1.238 209 H CB 0.050 29.844 29.762 0.054 0.000 1.412 209 H HN -0.181 nan 8.280 nan 0.000 0.562 210 V N 3.073 122.720 119.914 -0.444 0.000 2.740 210 V HA 0.118 4.237 4.120 -0.001 0.000 0.303 210 V C 0.490 176.582 176.094 -0.003 0.000 1.054 210 V CA -0.105 62.046 62.300 -0.248 0.000 1.106 210 V CB 1.041 32.730 31.823 -0.222 0.000 0.957 210 V HN 0.371 nan 8.190 nan 0.000 0.486 211 R N 2.820 123.366 120.500 0.076 0.000 2.561 211 R HA 0.635 4.974 4.340 -0.001 0.000 0.297 211 R C -1.310 175.064 176.300 0.122 0.000 0.969 211 R CA -0.657 55.516 56.100 0.123 0.000 0.879 211 R CB 1.984 32.405 30.300 0.202 0.000 1.178 211 R HN 0.480 nan 8.270 nan 0.000 0.445 212 V N 1.694 121.673 119.914 0.108 0.000 2.513 212 V HA 0.729 4.848 4.120 -0.001 0.000 0.299 212 V C -0.184 175.987 176.094 0.128 0.000 1.035 212 V CA -0.830 61.533 62.300 0.106 0.000 0.889 212 V CB 1.773 33.619 31.823 0.039 0.000 0.988 212 V HN 0.862 nan 8.190 nan 0.000 0.440 213 A N 4.603 127.505 122.820 0.136 0.000 2.357 213 A HA 0.820 5.139 4.320 -0.001 0.000 0.295 213 A C -1.058 176.567 177.584 0.069 0.000 1.121 213 A CA -0.468 51.643 52.037 0.125 0.000 0.742 213 A CB 1.516 20.630 19.000 0.189 0.000 1.181 213 A HN 0.622 nan 8.150 nan 0.000 0.454 214 V N 3.588 123.538 119.914 0.060 0.000 2.417 214 V HA 0.492 4.612 4.120 -0.001 0.000 0.291 214 V C -0.568 175.523 176.094 -0.005 0.000 1.024 214 V CA -0.375 61.948 62.300 0.038 0.000 0.861 214 V CB 1.286 33.167 31.823 0.096 0.000 0.985 214 V HN 0.769 nan 8.190 nan 0.000 0.436 215 L N 3.868 125.069 121.223 -0.036 0.000 2.334 215 L HA 0.808 5.148 4.340 -0.001 0.000 0.276 215 L C 0.160 177.131 176.870 0.168 0.000 1.014 215 L CA 0.452 55.343 54.840 0.085 0.000 0.815 215 L CB 1.993 44.042 42.059 -0.017 0.000 1.268 215 L HN 0.710 nan 8.230 nan 0.000 0.428 216 S N -0.494 115.226 115.700 0.033 0.000 2.615 216 S HA 0.358 4.828 4.470 -0.001 0.000 0.269 216 S C 0.474 174.572 174.600 -0.836 0.000 1.161 216 S CA -0.419 57.540 58.200 -0.400 0.000 0.817 216 S CB 1.852 64.634 63.200 -0.697 0.000 1.131 216 S HN 0.652 nan 8.310 nan 0.000 0.467 217 T N 1.587 115.637 114.554 -0.841 0.000 2.942 217 T HA 0.239 4.588 4.350 -0.001 0.000 0.265 217 T C -0.023 174.496 174.700 -0.302 0.000 1.062 217 T CA 1.261 62.971 62.100 -0.650 0.000 1.139 217 T CB -0.306 68.352 68.868 -0.349 0.000 0.883 217 T HN 0.519 nan 8.240 nan 0.000 0.468 218 F N -0.916 118.813 119.950 -0.369 0.000 2.643 218 F HA 0.640 5.166 4.527 -0.001 0.000 0.314 218 F C -0.653 174.882 175.800 -0.441 0.000 1.096 218 F CA -1.470 56.349 58.000 -0.301 0.000 0.953 218 F CB 0.743 39.604 39.000 -0.231 0.000 1.345 218 F HN -0.485 nan 8.300 nan 0.000 0.468 219 T N 1.865 116.381 114.554 -0.063 0.000 2.737 219 T HA 0.428 4.777 4.350 -0.001 0.000 0.296 219 T C -0.609 174.054 174.700 -0.062 0.000 0.922 219 T CA -0.081 61.915 62.100 -0.174 0.000 1.079 219 T CB -0.297 68.545 68.868 -0.043 0.000 0.892 219 T HN 0.793 nan 8.240 nan 0.000 0.514 220 H N 1.064 120.082 119.070 -0.087 0.000 2.927 220 H HA 0.567 5.122 4.556 -0.001 0.000 0.316 220 H C 1.028 176.282 175.328 -0.123 0.000 1.403 220 H CA -1.754 54.236 56.048 -0.096 0.000 1.288 220 H CB 0.441 30.102 29.762 -0.169 0.000 1.944 220 H HN 0.276 nan 8.280 nan 0.000 0.629 221 R N -0.303 120.211 120.500 0.023 0.000 2.200 221 R HA -0.077 4.262 4.340 -0.001 0.000 0.234 221 R C 1.512 177.723 176.300 -0.147 0.000 1.127 221 R CA 1.683 57.741 56.100 -0.071 0.000 0.989 221 R CB -0.134 30.087 30.300 -0.132 0.000 0.869 221 R HN 0.543 nan 8.270 nan 0.000 0.459 222 S N -0.066 115.421 115.700 -0.355 0.000 2.377 222 S HA -0.083 4.386 4.470 -0.001 0.000 0.223 222 S C 1.593 176.198 174.600 0.008 0.000 1.030 222 S CA 1.194 59.099 58.200 -0.493 0.000 0.970 222 S CB 0.116 62.755 63.200 -0.936 0.000 0.830 222 S HN 0.431 nan 8.310 nan 0.000 0.473 223 S N 1.245 117.055 115.700 0.182 0.000 2.906 223 S HA 0.084 4.553 4.470 -0.001 0.000 0.234 223 S C 0.408 175.075 174.600 0.112 0.000 0.973 223 S CA 0.056 58.331 58.200 0.125 0.000 1.036 223 S CB -0.256 62.962 63.200 0.030 0.000 0.798 223 S HN 0.190 nan 8.310 nan 0.000 0.498 224 D N 0.641 121.123 120.400 0.137 0.000 2.360 224 D HA 0.159 4.798 4.640 -0.001 0.000 0.210 224 D C 1.069 177.449 176.300 0.133 0.000 1.047 224 D CA 0.187 54.256 54.000 0.115 0.000 0.854 224 D CB 0.445 41.306 40.800 0.101 0.000 0.936 224 D HN 0.485 nan 8.370 nan 0.000 0.514 225 L N 0.037 121.385 121.223 0.207 0.000 2.766 225 L HA 0.235 4.574 4.340 -0.001 0.000 0.242 225 L C -0.049 176.876 176.870 0.092 0.000 1.136 225 L CA 0.172 55.091 54.840 0.132 0.000 0.933 225 L CB 0.471 42.604 42.059 0.124 0.000 1.241 225 L HN -0.314 nan 8.230 nan 0.000 0.522 226 S N 0.063 115.837 115.700 0.124 0.000 2.565 226 S HA 0.167 4.636 4.470 -0.001 0.000 0.276 226 S C 0.364 175.007 174.600 0.072 0.000 1.326 226 S CA -0.491 57.770 58.200 0.101 0.000 1.045 226 S CB 0.951 64.215 63.200 0.107 0.000 0.918 226 S HN 0.248 nan 8.310 nan 0.000 0.505 227 D N 1.186 121.630 120.400 0.074 0.000 2.338 227 D HA 0.043 4.682 4.640 -0.001 0.000 0.208 227 D C -0.088 176.257 176.300 0.075 0.000 0.997 227 D CA 0.863 54.904 54.000 0.069 0.000 0.880 227 D CB 0.365 41.212 40.800 0.077 0.000 0.980 227 D HN 0.433 nan 8.370 nan 0.000 0.509 228 T N 3.526 118.132 114.554 0.086 0.000 3.150 228 T HA 0.248 4.597 4.350 -0.001 0.000 0.383 228 T C -2.672 172.066 174.700 0.065 0.000 1.313 228 T CA -1.190 60.957 62.100 0.079 0.000 1.235 228 T CB 2.280 71.209 68.868 0.101 0.000 1.088 228 T HN -0.044 nan 8.240 nan 0.000 0.556 229 P HA 0.476 nan 4.420 nan 0.000 0.291 229 P C -0.740 176.581 177.300 0.036 0.000 1.340 229 P CA -0.406 62.718 63.100 0.040 0.000 0.799 229 P CB 0.669 32.391 31.700 0.036 0.000 0.917 230 I N 5.090 125.682 120.570 0.037 0.000 2.389 230 I HA 0.396 4.565 4.170 -0.001 0.000 0.288 230 I C 0.342 176.511 176.117 0.086 0.000 0.999 230 I CA -0.806 60.535 61.300 0.069 0.000 1.129 230 I CB 1.870 39.918 38.000 0.081 0.000 1.288 230 I HN 0.150 nan 8.210 nan 0.000 0.444 231 I N 7.343 127.952 120.570 0.065 0.000 2.390 231 I HA 0.316 4.486 4.170 -0.001 0.000 0.283 231 I C -0.258 175.897 176.117 0.063 0.000 1.016 231 I CA -0.517 60.771 61.300 -0.019 0.000 1.151 231 I CB 0.601 38.561 38.000 -0.066 0.000 1.293 231 I HN 0.419 nan 8.210 nan 0.000 0.458 232 F N 4.446 124.389 119.950 -0.012 0.000 2.461 232 F HA 0.704 5.230 4.527 -0.001 0.000 0.337 232 F C 0.270 176.068 175.800 -0.004 0.000 1.079 232 F CA -1.297 56.712 58.000 0.014 0.000 1.032 232 F CB 0.440 39.470 39.000 0.050 0.000 1.327 232 F HN 0.182 nan 8.300 nan 0.000 0.491 233 R N 0.917 121.559 120.500 0.236 0.000 2.357 233 R HA 0.389 4.728 4.340 -0.001 0.000 0.296 233 R C -2.652 173.663 176.300 0.024 0.000 1.052 233 R CA -1.866 54.276 56.100 0.069 0.000 0.988 233 R CB 0.671 31.070 30.300 0.166 0.000 1.025 233 R HN 0.342 nan 8.270 nan 0.000 0.469 234 P HA -0.073 nan 4.420 nan 0.000 0.257 234 P C 0.228 177.441 177.300 -0.144 0.000 1.162 234 P CA 1.482 64.270 63.100 -0.521 0.000 0.762 234 P CB 0.569 31.354 31.700 -1.525 0.000 0.753 235 G N 2.821 111.670 108.800 0.082 0.000 2.253 235 G HA2 -0.315 3.644 3.960 -0.001 0.000 0.251 235 G HA3 -0.315 3.644 3.960 -0.001 0.000 0.251 235 G C 0.980 176.170 174.900 0.484 0.000 0.998 235 G CA 0.544 45.766 45.100 0.203 0.000 0.621 235 G HN 0.602 nan 8.290 nan 0.000 0.524 236 T N 0.063 114.870 114.554 0.422 0.000 3.160 236 T HA 0.186 4.535 4.350 -0.001 0.000 0.257 236 T C 1.787 176.580 174.700 0.154 0.000 1.147 236 T CA 1.376 63.645 62.100 0.281 0.000 1.064 236 T CB -0.196 68.775 68.868 0.172 0.000 0.949 236 T HN 0.515 nan 8.240 nan 0.000 0.526 237 D N 1.941 122.437 120.400 0.159 0.000 2.218 237 D HA -0.166 4.473 4.640 -0.001 0.000 0.204 237 D C 2.069 178.390 176.300 0.035 0.000 0.976 237 D CA 0.793 54.764 54.000 -0.048 0.000 0.853 237 D CB -0.451 40.422 40.800 0.122 0.000 0.939 237 D HN 0.379 nan 8.370 nan 0.000 0.481 238 R N 0.506 121.075 120.500 0.114 0.000 2.083 238 R HA -0.057 4.282 4.340 -0.001 0.000 0.237 238 R C 2.516 178.749 176.300 -0.111 0.000 1.137 238 R CA 1.825 57.936 56.100 0.018 0.000 0.951 238 R CB -0.463 29.991 30.300 0.257 0.000 0.851 238 R HN 0.308 nan 8.270 nan 0.000 0.434 239 A N 1.222 123.984 122.820 -0.095 0.000 1.877 239 A HA -0.150 4.170 4.320 -0.001 0.000 0.216 239 A C 2.166 179.658 177.584 -0.153 0.000 1.186 239 A CA 1.338 53.196 52.037 -0.298 0.000 0.620 239 A CB -0.584 18.283 19.000 -0.223 0.000 0.822 239 A HN 0.207 nan 8.150 nan 0.000 0.443 240 I N -0.394 120.167 120.570 -0.014 0.000 2.151 240 I HA -0.318 3.852 4.170 -0.001 0.000 0.243 240 I C 2.452 178.651 176.117 0.137 0.000 1.080 240 I CA 1.461 62.842 61.300 0.134 0.000 1.339 240 I CB -0.672 37.434 38.000 0.177 0.000 1.039 240 I HN 0.285 nan 8.210 nan 0.000 0.409 241 L N 0.623 121.840 121.223 -0.009 0.000 2.043 241 L HA -0.267 4.072 4.340 -0.001 0.000 0.212 241 L C 2.204 178.979 176.870 -0.157 0.000 1.075 241 L CA 2.035 56.768 54.840 -0.178 0.000 0.752 241 L CB -0.767 41.045 42.059 -0.412 0.000 0.891 241 L HN 0.323 nan 8.230 nan 0.000 0.432 242 N N -1.641 116.941 118.700 -0.197 0.000 2.142 242 N HA -0.252 4.487 4.740 -0.001 0.000 0.186 242 N C 1.835 177.367 175.510 0.037 0.000 1.023 242 N CA 1.084 54.035 53.050 -0.166 0.000 0.852 242 N CB -0.234 37.963 38.487 -0.484 0.000 0.998 242 N HN 0.257 nan 8.380 nan 0.000 0.424 243 Y N 2.144 122.446 120.300 0.002 0.000 2.069 243 Y HA -0.241 4.309 4.550 -0.001 0.000 0.278 243 Y C 1.802 177.800 175.900 0.163 0.000 1.175 243 Y CA 1.435 59.610 58.100 0.125 0.000 1.134 243 Y CB -0.672 37.848 38.460 0.100 0.000 0.965 243 Y HN 0.053 nan 8.280 nan 0.000 0.498 244 I N 0.532 120.910 120.570 -0.321 0.000 2.264 244 I HA -0.347 3.823 4.170 -0.001 0.000 0.248 244 I C 2.739 178.735 176.117 -0.203 0.000 1.111 244 I CA 1.302 62.350 61.300 -0.421 0.000 1.382 244 I CB -0.888 36.963 38.000 -0.249 0.000 1.060 244 I HN 0.378 nan 8.210 nan 0.000 0.418 245 A N 0.356 123.126 122.820 -0.083 0.000 1.877 245 A HA -0.308 4.012 4.320 -0.001 0.000 0.216 245 A C 2.227 179.858 177.584 0.078 0.000 1.186 245 A CA 2.184 54.244 52.037 0.038 0.000 0.620 245 A CB -1.044 18.027 19.000 0.117 0.000 0.822 245 A HN 0.544 nan 8.150 nan 0.000 0.443 246 H N -1.301 117.765 119.070 -0.005 0.000 2.352 246 H HA -0.246 4.309 4.556 -0.001 0.000 0.299 246 H C 1.934 177.275 175.328 0.021 0.000 1.097 246 H CA 2.449 58.516 56.048 0.032 0.000 1.311 246 H CB -0.449 29.377 29.762 0.107 0.000 1.377 246 H HN 0.730 nan 8.280 nan 0.000 0.504 247 H N -0.656 118.301 119.070 -0.189 0.000 2.387 247 H HA -0.051 4.505 4.556 -0.001 0.000 0.299 247 H C 2.220 177.442 175.328 -0.177 0.000 1.090 247 H CA 1.843 57.748 56.048 -0.238 0.000 1.332 247 H CB -0.131 29.374 29.762 -0.427 0.000 1.386 247 H HN 0.416 nan 8.280 nan 0.000 0.516 248 I N 0.109 120.678 120.570 -0.001 0.000 2.179 248 I HA -0.262 3.907 4.170 -0.001 0.000 0.242 248 I C 1.909 178.011 176.117 -0.026 0.000 1.088 248 I CA 0.792 62.096 61.300 0.007 0.000 1.357 248 I CB -0.144 37.869 38.000 0.021 0.000 1.051 248 I HN 0.356 nan 8.210 nan 0.000 0.409 249 I N 0.251 120.811 120.570 -0.017 0.000 2.163 249 I HA -0.235 3.934 4.170 -0.001 0.000 0.240 249 I C 2.664 178.719 176.117 -0.103 0.000 1.081 249 I CA 1.505 62.815 61.300 0.018 0.000 1.353 249 I CB -1.136 36.915 38.000 0.086 0.000 1.054 249 I HN 0.189 nan 8.210 nan 0.000 0.407 250 S N 0.806 116.335 115.700 -0.286 0.000 2.370 250 S HA -0.150 4.319 4.470 -0.001 0.000 0.226 250 S C 1.732 176.200 174.600 -0.220 0.000 1.033 250 S CA 1.931 59.943 58.200 -0.313 0.000 1.011 250 S CB -0.490 62.415 63.200 -0.492 0.000 0.852 250 S HN 0.543 nan 8.310 nan 0.000 0.457 251 T N 0.586 114.986 114.554 -0.257 0.000 3.194 251 T HA 0.368 4.717 4.350 -0.001 0.000 0.251 251 T C 1.196 175.842 174.700 -0.089 0.000 1.132 251 T CA 0.440 62.427 62.100 -0.189 0.000 1.028 251 T CB -0.221 68.498 68.868 -0.248 0.000 0.976 251 T HN 0.556 nan 8.240 nan 0.000 0.535 252 G N 2.575 111.338 108.800 -0.062 0.000 2.350 252 G HA2 -0.306 3.653 3.960 -0.001 0.000 0.298 252 G HA3 -0.306 3.653 3.960 -0.001 0.000 0.298 252 G C 0.324 175.229 174.900 0.009 0.000 1.037 252 G CA -0.266 44.830 45.100 -0.006 0.000 1.074 252 G HN 0.545 nan 8.290 nan 0.000 0.511 253 R N -0.681 119.825 120.500 0.010 0.000 2.748 253 R HA 0.323 4.663 4.340 -0.001 0.000 0.395 253 R C 0.611 176.930 176.300 0.031 0.000 1.128 253 R CA -0.413 55.697 56.100 0.017 0.000 1.042 253 R CB 0.936 31.239 30.300 0.006 0.000 1.392 253 R HN 0.282 nan 8.270 nan 0.000 0.582 254 V N 0.979 120.926 119.914 0.054 0.000 2.834 254 V HA 0.076 4.196 4.120 -0.001 0.000 0.301 254 V C 0.722 176.850 176.094 0.056 0.000 1.066 254 V CA -0.660 61.675 62.300 0.057 0.000 1.052 254 V CB 1.445 33.314 31.823 0.077 0.000 1.021 254 V HN 0.325 nan 8.190 nan 0.000 0.480 255 N N 2.471 121.208 118.700 0.063 0.000 2.767 255 N HA 0.193 4.932 4.740 -0.001 0.000 0.238 255 N C 1.106 176.696 175.510 0.134 0.000 1.083 255 N CA -0.213 52.893 53.050 0.094 0.000 0.964 255 N CB 0.458 38.996 38.487 0.085 0.000 1.252 255 N HN 0.542 nan 8.380 nan 0.000 0.512 256 R N 1.188 121.746 120.500 0.096 0.000 2.097 256 R HA -0.137 4.203 4.340 -0.001 0.000 0.236 256 R C 0.992 177.346 176.300 0.090 0.000 1.135 256 R CA 1.481 57.630 56.100 0.081 0.000 0.934 256 R CB 0.011 30.357 30.300 0.077 0.000 0.846 256 R HN 0.482 nan 8.270 nan 0.000 0.431 257 D N -0.257 120.203 120.400 0.100 0.000 2.203 257 D HA -0.207 4.433 4.640 -0.001 0.000 0.199 257 D C 1.558 177.924 176.300 0.111 0.000 0.997 257 D CA 1.206 55.257 54.000 0.085 0.000 0.863 257 D CB -0.109 40.748 40.800 0.095 0.000 0.928 257 D HN 0.139 nan 8.370 nan 0.000 0.458 258 F N 0.704 120.696 119.950 0.070 0.000 2.147 258 F HA -0.112 4.414 4.527 -0.001 0.000 0.291 258 F C 2.274 178.138 175.800 0.107 0.000 1.093 258 F CA 0.671 58.775 58.000 0.174 0.000 1.263 258 F CB -0.212 38.898 39.000 0.184 0.000 1.036 258 F HN -0.256 nan 8.300 nan 0.000 0.481 259 V N 0.533 120.589 119.914 0.237 0.000 2.343 259 V HA -0.291 3.829 4.120 -0.001 0.000 0.247 259 V C 1.988 178.057 176.094 -0.041 0.000 1.051 259 V CA 2.210 64.547 62.300 0.061 0.000 1.036 259 V CB -0.662 31.160 31.823 -0.001 0.000 0.654 259 V HN 0.312 nan 8.190 nan 0.000 0.451 260 D N -0.445 119.936 120.400 -0.031 0.000 2.117 260 D HA -0.137 4.502 4.640 -0.001 0.000 0.198 260 D C 2.360 178.582 176.300 -0.129 0.000 0.982 260 D CA 1.217 55.191 54.000 -0.043 0.000 0.828 260 D CB -0.178 40.611 40.800 -0.017 0.000 0.967 260 D HN 0.291 nan 8.370 nan 0.000 0.464 261 R N -0.432 119.915 120.500 -0.255 0.000 2.173 261 R HA -0.016 4.324 4.340 -0.001 0.000 0.208 261 R C 0.775 176.676 176.300 -0.666 0.000 1.035 261 R CA 0.714 56.526 56.100 -0.480 0.000 1.004 261 R CB 0.289 30.206 30.300 -0.639 0.000 0.917 261 R HN 0.268 nan 8.270 nan 0.000 0.462 262 H N -1.420 117.451 119.070 -0.331 0.000 2.662 262 H HA 0.288 4.844 4.556 -0.001 0.000 0.268 262 H C -0.440 174.746 175.328 -0.237 0.000 1.152 262 H CA -0.024 55.810 56.048 -0.355 0.000 1.072 262 H CB 1.274 30.582 29.762 -0.755 0.000 1.660 262 H HN -0.050 nan 8.280 nan 0.000 0.584 263 T N 0.949 115.415 114.554 -0.147 0.000 2.896 263 T HA 0.381 4.730 4.350 -0.001 0.000 0.297 263 T C -0.189 174.387 174.700 -0.205 0.000 1.108 263 T CA -0.732 61.233 62.100 -0.225 0.000 1.004 263 T CB 2.495 71.169 68.868 -0.323 0.000 1.159 263 T HN 0.142 nan 8.240 nan 0.000 0.499 264 N N 0.034 118.544 118.700 -0.316 0.000 2.509 264 N HA 0.722 5.462 4.740 -0.001 0.000 0.280 264 N C -1.495 173.806 175.510 -0.348 0.000 1.306 264 N CA -0.543 52.415 53.050 -0.154 0.000 0.782 264 N CB 1.485 39.907 38.487 -0.109 0.000 1.493 264 N HN 0.370 nan 8.380 nan 0.000 0.498 265 F N 0.200 120.068 119.950 -0.137 0.000 2.661 265 F HA 0.888 5.414 4.527 -0.001 0.000 0.347 265 F C 0.286 176.012 175.800 -0.123 0.000 1.086 265 F CA -0.543 57.357 58.000 -0.167 0.000 1.016 265 F CB 1.478 40.407 39.000 -0.118 0.000 1.368 265 F HN 0.537 nan 8.300 nan 0.000 0.505 266 A N 0.365 123.236 122.820 0.086 0.000 2.544 266 A HA 0.742 5.061 4.320 -0.001 0.000 0.291 266 A C -2.344 175.235 177.584 -0.007 0.000 1.055 266 A CA -0.698 51.342 52.037 0.004 0.000 0.651 266 A CB 1.106 20.057 19.000 -0.082 0.000 1.296 266 A HN 0.637 nan 8.150 nan 0.000 0.431 267 L N 0.749 121.944 121.223 -0.046 0.000 2.386 267 L HA 0.690 5.030 4.340 -0.001 0.000 0.271 267 L C 0.667 177.451 176.870 -0.145 0.000 0.993 267 L CA -0.812 53.980 54.840 -0.079 0.000 0.819 267 L CB 2.228 44.262 42.059 -0.042 0.000 1.294 267 L HN 1.021 nan 8.230 nan 0.000 0.414 268 G N 1.107 109.758 108.800 -0.249 0.000 2.425 268 G HA2 0.570 4.530 3.960 -0.001 0.000 0.302 268 G HA3 0.570 4.530 3.960 -0.001 0.000 0.302 268 G C -0.202 174.605 174.900 -0.157 0.000 1.159 268 G CA -0.421 44.526 45.100 -0.256 0.000 0.865 268 G HN 0.741 nan 8.290 nan 0.000 0.515 269 A N 0.822 123.629 122.820 -0.022 0.000 2.520 269 A HA 0.422 4.742 4.320 -0.001 0.000 0.245 269 A C 1.588 179.241 177.584 0.114 0.000 1.072 269 A CA 0.679 52.741 52.037 0.042 0.000 0.761 269 A CB 0.113 19.157 19.000 0.073 0.000 1.004 269 A HN 1.180 nan 8.150 nan 0.000 0.499 270 T N -1.063 113.536 114.554 0.076 0.000 3.031 270 T HA 0.024 4.373 4.350 -0.001 0.000 0.254 270 T C 0.718 175.521 174.700 0.172 0.000 1.060 270 T CA 1.184 63.366 62.100 0.136 0.000 1.135 270 T CB -0.106 68.788 68.868 0.043 0.000 0.896 270 T HN 0.544 nan 8.240 nan 0.000 0.472 271 D N 0.655 121.111 120.400 0.093 0.000 2.706 271 D HA 0.321 4.960 4.640 -0.001 0.000 0.236 271 D C 0.115 176.415 176.300 0.000 0.000 1.231 271 D CA -0.680 53.352 54.000 0.052 0.000 0.828 271 D CB -1.007 39.821 40.800 0.045 0.000 1.015 271 D HN 0.436 nan 8.370 nan 0.000 0.484 272 I N 0.133 120.701 120.570 -0.003 0.000 3.245 272 I HA 0.104 4.273 4.170 -0.001 0.000 0.290 272 I C 1.162 177.132 176.117 -0.245 0.000 1.269 272 I CA 0.728 61.971 61.300 -0.095 0.000 1.383 272 I CB 0.662 38.596 38.000 -0.110 0.000 1.337 272 I HN 0.250 nan 8.210 nan 0.000 0.599 273 G N 4.071 112.729 108.800 -0.237 0.000 2.883 273 G HA2 0.392 4.351 3.960 -0.001 0.000 0.285 273 G HA3 0.392 4.351 3.960 -0.001 0.000 0.285 273 G C -0.973 173.810 174.900 -0.194 0.000 1.526 273 G CA -0.495 44.449 45.100 -0.260 0.000 1.062 273 G HN 0.575 nan 8.290 nan 0.000 0.550 274 Y N 0.478 120.723 120.300 -0.092 0.000 3.093 274 Y HA -0.231 4.318 4.550 -0.001 0.000 0.232 274 Y C 1.909 177.745 175.900 -0.106 0.000 0.963 274 Y CA 0.638 58.672 58.100 -0.111 0.000 0.735 274 Y CB -0.915 37.477 38.460 -0.113 0.000 1.008 274 Y HN 0.781 nan 8.280 nan 0.000 0.396 275 G N 2.613 111.402 108.800 -0.018 0.000 2.246 275 G HA2 -0.072 3.888 3.960 -0.001 0.000 0.296 275 G HA3 -0.072 3.888 3.960 -0.001 0.000 0.296 275 G C 0.372 175.279 174.900 0.011 0.000 0.505 275 G CA 0.279 45.375 45.100 -0.007 0.000 1.301 275 G HN 0.606 nan 8.290 nan 0.000 0.412 276 L N -0.372 120.854 121.223 0.005 0.000 2.793 276 L HA 0.612 4.951 4.340 -0.001 0.000 0.242 276 L C 1.281 178.176 176.870 0.041 0.000 1.315 276 L CA -1.322 53.505 54.840 -0.021 0.000 1.263 276 L CB 0.688 42.657 42.059 -0.150 0.000 2.076 276 L HN 0.123 nan 8.230 nan 0.000 0.575 277 R N 0.972 121.506 120.500 0.056 0.000 2.410 277 R HA 0.293 4.632 4.340 -0.001 0.000 0.288 277 R C -2.378 173.979 176.300 0.096 0.000 1.051 277 R CA -1.612 54.536 56.100 0.079 0.000 1.021 277 R CB 0.782 31.132 30.300 0.083 0.000 1.032 277 R HN 0.253 nan 8.270 nan 0.000 0.481 278 P HA 0.077 nan 4.420 nan 0.000 0.271 278 P C -0.658 176.686 177.300 0.073 0.000 1.220 278 P CA 0.281 63.426 63.100 0.074 0.000 0.768 278 P CB 1.249 32.982 31.700 0.056 0.000 0.848 279 E N -1.138 119.110 120.200 0.079 0.000 3.376 279 E HA -0.111 4.239 4.350 -0.001 0.000 0.142 279 E C 0.395 177.033 176.600 0.064 0.000 0.601 279 E CA -0.040 56.395 56.400 0.057 0.000 2.970 279 E CB -1.269 28.462 29.700 0.053 0.000 1.416 279 E HN 0.619 nan 8.360 nan 0.000 0.768 280 H N 2.819 121.902 119.070 0.022 0.000 2.815 280 H HA 0.096 4.651 4.556 -0.001 0.000 0.350 280 H C 1.010 176.352 175.328 0.023 0.000 1.080 280 H CA 1.175 57.233 56.048 0.018 0.000 1.433 280 H CB 0.935 30.709 29.762 0.021 0.000 1.432 280 H HN 0.268 nan 8.280 nan 0.000 0.592 281 Q N 3.946 123.659 119.800 -0.146 0.000 2.014 281 Q HA -0.185 4.154 4.340 -0.001 0.000 0.207 281 Q C 2.504 178.591 176.000 0.144 0.000 0.993 281 Q CA 1.627 57.428 55.803 -0.005 0.000 0.850 281 Q CB -0.019 28.666 28.738 -0.088 0.000 0.916 281 Q HN 0.714 nan 8.270 nan 0.000 0.417 282 L N 0.805 122.202 121.223 0.291 0.000 2.211 282 L HA -0.292 4.047 4.340 -0.001 0.000 0.216 282 L C 2.544 179.551 176.870 0.227 0.000 1.092 282 L CA 1.370 56.369 54.840 0.265 0.000 0.767 282 L CB -0.501 41.722 42.059 0.272 0.000 0.894 282 L HN 0.323 nan 8.230 nan 0.000 0.437 283 Q N -0.635 119.285 119.800 0.199 0.000 2.163 283 Q HA -0.040 4.300 4.340 -0.001 0.000 0.198 283 Q C 2.427 178.484 176.000 0.093 0.000 0.954 283 Q CA 0.868 56.748 55.803 0.129 0.000 0.851 283 Q CB 0.035 28.842 28.738 0.115 0.000 0.928 283 Q HN 0.552 nan 8.270 nan 0.000 0.459 284 L N 0.469 121.746 121.223 0.089 0.000 2.017 284 L HA -0.164 4.175 4.340 -0.001 0.000 0.208 284 L C 2.533 179.438 176.870 0.059 0.000 1.073 284 L CA 1.262 56.138 54.840 0.061 0.000 0.745 284 L CB -0.776 41.312 42.059 0.047 0.000 0.894 284 L HN 0.146 nan 8.230 nan 0.000 0.432 285 A N 0.291 123.153 122.820 0.070 0.000 2.019 285 A HA -0.019 4.300 4.320 -0.001 0.000 0.219 285 A C 1.926 179.551 177.584 0.069 0.000 1.164 285 A CA 1.114 53.192 52.037 0.068 0.000 0.644 285 A CB -0.631 18.417 19.000 0.080 0.000 0.805 285 A HN 0.367 nan 8.150 nan 0.000 0.449 286 A N 0.799 123.664 122.820 0.075 0.000 2.863 286 A HA 0.237 4.557 4.320 -0.001 0.000 0.246 286 A C 0.302 177.909 177.584 0.037 0.000 1.772 286 A CA -0.179 51.890 52.037 0.054 0.000 1.456 286 A CB -1.127 17.899 19.000 0.044 0.000 0.930 286 A HN 0.497 nan 8.150 nan 0.000 0.630 287 K N 0.352 120.775 120.400 0.039 0.000 2.405 287 K HA 0.205 4.524 4.320 -0.001 0.000 0.273 287 K C 1.164 177.781 176.600 0.029 0.000 1.116 287 K CA 0.985 57.292 56.287 0.032 0.000 1.155 287 K CB -0.129 32.389 32.500 0.031 0.000 0.858 287 K HN 0.929 nan 8.250 nan 0.000 0.477 288 G N 1.674 110.490 108.800 0.026 0.000 2.168 288 G HA2 -0.247 3.713 3.960 -0.001 0.000 0.197 288 G HA3 -0.247 3.713 3.960 -0.001 0.000 0.197 288 G C 0.744 175.657 174.900 0.021 0.000 0.997 288 G CA -0.057 45.059 45.100 0.026 0.000 0.658 288 G HN 0.653 nan 8.290 nan 0.000 0.513 289 A N 0.109 122.939 122.820 0.016 0.000 2.119 289 A HA 0.620 4.939 4.320 -0.001 0.000 0.216 289 A C 2.573 180.167 177.584 0.017 0.000 1.152 289 A CA 1.865 53.906 52.037 0.007 0.000 0.708 289 A CB -0.396 18.610 19.000 0.009 0.000 0.805 289 A HN 1.676 nan 8.150 nan 0.000 0.460 290 A N -0.559 122.276 122.820 0.024 0.000 2.015 290 A HA -0.067 4.252 4.320 -0.001 0.000 0.219 290 A C 1.809 179.409 177.584 0.028 0.000 1.163 290 A CA 1.694 53.748 52.037 0.028 0.000 0.646 290 A CB -0.187 18.830 19.000 0.028 0.000 0.806 290 A HN 0.488 nan 8.150 nan 0.000 0.448 291 D N -1.243 119.173 120.400 0.026 0.000 2.685 291 D HA 0.401 5.040 4.640 -0.001 0.000 0.257 291 D C 0.559 176.876 176.300 0.028 0.000 1.472 291 D CA 1.394 55.410 54.000 0.027 0.000 1.125 291 D CB 0.144 40.960 40.800 0.027 0.000 0.969 291 D HN 0.842 nan 8.370 nan 0.000 0.281 292 A N -1.189 121.653 122.820 0.037 0.000 2.109 292 A HA 0.292 4.611 4.320 -0.001 0.000 0.556 292 A C 0.923 178.541 177.584 0.057 0.000 0.434 292 A CA 1.447 53.514 52.037 0.050 0.000 0.334 292 A CB -1.795 17.211 19.000 0.010 0.000 3.228 292 A HN 1.379 nan 8.150 nan 0.000 0.445 293 G N -0.137 108.719 108.800 0.093 0.000 2.134 293 G HA2 0.358 4.317 3.960 -0.001 0.000 0.209 293 G HA3 0.358 4.317 3.960 -0.001 0.000 0.209 293 G C 0.813 175.738 174.900 0.042 0.000 0.993 293 G CA 0.977 46.124 45.100 0.080 0.000 0.669 293 G HN 2.735 nan 8.290 nan 0.000 0.519 294 A N 0.082 122.923 122.820 0.035 0.000 2.363 294 A HA 0.802 5.121 4.320 -0.001 0.000 0.270 294 A C 1.253 178.830 177.584 -0.013 0.000 1.121 294 A CA 0.364 52.408 52.037 0.013 0.000 0.800 294 A CB 0.374 19.383 19.000 0.014 0.000 1.052 294 A HN 0.231 nan 8.150 nan 0.000 0.493 295 M N 1.108 120.695 119.600 -0.021 0.000 2.508 295 M HA 0.131 4.610 4.480 -0.001 0.000 0.238 295 M C 0.972 177.247 176.300 -0.041 0.000 1.210 295 M CA 2.134 57.406 55.300 -0.047 0.000 1.231 295 M CB -1.635 30.938 32.600 -0.044 0.000 1.201 295 M HN 1.368 nan 8.290 nan 0.000 0.491 296 T N 0.125 114.665 114.554 -0.024 0.000 1.309 296 T HA -0.058 4.291 4.350 -0.001 0.000 0.685 296 T C -2.741 171.951 174.700 -0.012 0.000 0.967 296 T CA -0.578 61.513 62.100 -0.015 0.000 3.630 296 T CB -1.825 67.035 68.868 -0.014 0.000 2.070 296 T HN 0.055 nan 8.240 nan 0.000 0.393 297 P HA 0.406 nan 4.420 nan 0.000 0.272 297 P C 0.859 178.175 177.300 0.027 0.000 1.243 297 P CA 0.162 63.270 63.100 0.014 0.000 0.803 297 P CB 0.520 32.228 31.700 0.014 0.000 0.974 298 T N -2.643 111.945 114.554 0.055 0.000 2.630 298 T HA 0.345 4.695 4.350 -0.001 0.000 0.225 298 T C -1.275 173.443 174.700 0.031 0.000 0.897 298 T CA -0.387 61.741 62.100 0.046 0.000 1.316 298 T CB 0.287 69.192 68.868 0.062 0.000 1.743 298 T HN 0.353 nan 8.240 nan 0.000 0.436 299 D N -0.735 119.658 120.400 -0.012 0.000 2.753 299 D HA 0.372 5.011 4.640 -0.001 0.000 0.224 299 D C -0.211 175.919 176.300 -0.282 0.000 1.213 299 D CA -0.554 53.391 54.000 -0.091 0.000 0.833 299 D CB 2.389 43.147 40.800 -0.071 0.000 1.607 299 D HN 0.290 nan 8.370 nan 0.000 0.463 300 F N 2.902 122.467 119.950 -0.641 0.000 2.171 300 F HA -0.130 4.397 4.527 -0.001 0.000 0.300 300 F C 1.811 177.360 175.800 -0.419 0.000 1.090 300 F CA 1.653 59.045 58.000 -1.013 0.000 1.293 300 F CB -0.084 38.549 39.000 -0.612 0.000 1.013 300 F HN 0.357 nan 8.300 nan 0.000 0.486 301 E N -0.069 119.922 120.200 -0.350 0.000 2.077 301 E HA -0.166 4.184 4.350 -0.001 0.000 0.193 301 E C 2.157 178.647 176.600 -0.183 0.000 0.989 301 E CA 1.894 58.073 56.400 -0.369 0.000 0.800 301 E CB -1.252 28.290 29.700 -0.264 0.000 0.746 301 E HN 0.395 nan 8.360 nan 0.000 0.452 302 T N 1.594 116.089 114.554 -0.099 0.000 2.777 302 T HA -0.114 4.236 4.350 -0.001 0.000 0.266 302 T C 1.600 176.309 174.700 0.015 0.000 1.040 302 T CA 1.117 63.193 62.100 -0.040 0.000 1.141 302 T CB -0.495 68.363 68.868 -0.016 0.000 0.868 302 T HN 0.144 nan 8.240 nan 0.000 0.444 303 F N 2.747 122.664 119.950 -0.056 0.000 2.025 303 F HA -0.098 4.429 4.527 -0.001 0.000 0.297 303 F C 2.574 178.414 175.800 0.067 0.000 1.132 303 F CA 1.332 59.360 58.000 0.047 0.000 1.191 303 F CB -1.031 38.069 39.000 0.167 0.000 0.963 303 F HN 0.155 nan 8.300 nan 0.000 0.481 304 A N 0.588 123.468 122.820 0.100 0.000 1.940 304 A HA -0.282 4.037 4.320 -0.001 0.000 0.221 304 A C 2.386 179.914 177.584 -0.093 0.000 1.190 304 A CA 2.708 54.742 52.037 -0.005 0.000 0.647 304 A CB -1.803 17.185 19.000 -0.020 0.000 0.821 304 A HN 0.690 nan 8.150 nan 0.000 0.457 305 A N -1.133 121.628 122.820 -0.099 0.000 1.969 305 A HA 0.097 4.416 4.320 -0.001 0.000 0.218 305 A C 2.092 179.612 177.584 -0.108 0.000 1.169 305 A CA 1.614 53.599 52.037 -0.087 0.000 0.635 305 A CB -0.463 18.486 19.000 -0.085 0.000 0.810 305 A HN 0.827 nan 8.150 nan 0.000 0.445 306 L N 0.085 121.222 121.223 -0.144 0.000 2.072 306 L HA -0.046 4.293 4.340 -0.001 0.000 0.205 306 L C 2.129 178.925 176.870 -0.125 0.000 1.079 306 L CA 1.987 56.743 54.840 -0.140 0.000 0.752 306 L CB -0.596 41.379 42.059 -0.140 0.000 0.906 306 L HN 0.122 nan 8.230 nan 0.000 0.436 307 V N -0.408 119.387 119.914 -0.199 0.000 2.913 307 V HA -0.149 3.970 4.120 -0.001 0.000 0.260 307 V C 2.432 178.546 176.094 0.034 0.000 1.098 307 V CA 1.388 63.655 62.300 -0.056 0.000 1.121 307 V CB -1.111 30.558 31.823 -0.255 0.000 0.714 307 V HN 0.508 nan 8.190 nan 0.000 0.487 308 S N 0.166 115.848 115.700 -0.031 0.000 2.402 308 S HA -0.231 4.239 4.470 -0.001 0.000 0.229 308 S C 1.938 176.351 174.600 -0.311 0.000 1.021 308 S CA 1.435 59.561 58.200 -0.122 0.000 0.974 308 S CB -0.253 62.935 63.200 -0.020 0.000 0.800 308 S HN 0.783 nan 8.310 nan 0.000 0.484 309 E N 0.598 120.614 120.200 -0.306 0.000 2.160 309 E HA -0.173 4.176 4.350 -0.001 0.000 0.195 309 E C -0.382 175.918 176.600 -0.501 0.000 0.991 309 E CA 0.818 56.957 56.400 -0.434 0.000 0.810 309 E CB -0.057 29.296 29.700 -0.579 0.000 0.742 309 E HN 0.604 nan 8.360 nan 0.000 0.466 310 Y N 1.809 122.012 120.300 -0.162 0.000 2.636 310 Y HA 0.157 4.706 4.550 -0.001 0.000 0.334 310 Y C 0.046 175.851 175.900 -0.158 0.000 1.286 310 Y CA -0.348 57.685 58.100 -0.110 0.000 1.688 310 Y CB -0.130 38.315 38.460 -0.025 0.000 1.662 310 Y HN -0.157 nan 8.280 nan 0.000 0.465 311 T N 1.222 115.701 114.554 -0.124 0.000 2.856 311 T HA -0.016 4.333 4.350 -0.001 0.000 0.306 311 T C 1.425 176.069 174.700 -0.094 0.000 1.062 311 T CA -0.677 61.347 62.100 -0.126 0.000 1.083 311 T CB 1.045 69.849 68.868 -0.106 0.000 0.984 311 T HN 0.552 nan 8.240 nan 0.000 0.542 312 L N 1.015 122.157 121.223 -0.134 0.000 2.042 312 L HA -0.086 4.254 4.340 -0.001 0.000 0.210 312 L C 2.182 178.870 176.870 -0.304 0.000 1.076 312 L CA 1.905 56.397 54.840 -0.580 0.000 0.749 312 L CB -0.883 40.955 42.059 -0.368 0.000 0.893 312 L HN 0.610 nan 8.230 nan 0.000 0.432 313 E N -0.194 119.921 120.200 -0.141 0.000 2.153 313 E HA -0.220 4.129 4.350 -0.001 0.000 0.194 313 E C 2.177 178.728 176.600 -0.082 0.000 0.988 313 E CA 1.422 57.768 56.400 -0.090 0.000 0.811 313 E CB -0.172 29.498 29.700 -0.050 0.000 0.746 313 E HN 0.569 nan 8.360 nan 0.000 0.466 314 K N -0.110 120.241 120.400 -0.082 0.000 2.067 314 K HA 0.071 4.391 4.320 -0.001 0.000 0.203 314 K C 2.059 178.640 176.600 -0.031 0.000 1.048 314 K CA 0.887 57.145 56.287 -0.049 0.000 0.954 314 K CB -0.097 32.373 32.500 -0.050 0.000 0.737 314 K HN 0.103 nan 8.250 nan 0.000 0.444 315 A N 1.413 124.209 122.820 -0.039 0.000 1.892 315 A HA -0.196 4.123 4.320 -0.001 0.000 0.218 315 A C 2.382 179.932 177.584 -0.056 0.000 1.188 315 A CA 2.206 54.228 52.037 -0.026 0.000 0.631 315 A CB -1.165 17.803 19.000 -0.052 0.000 0.822 315 A HN 0.489 nan 8.150 nan 0.000 0.447 316 A N 0.133 122.891 122.820 -0.102 0.000 1.892 316 A HA -0.244 4.075 4.320 -0.001 0.000 0.218 316 A C 1.986 179.558 177.584 -0.021 0.000 1.188 316 A CA 2.416 54.417 52.037 -0.060 0.000 0.631 316 A CB -0.673 18.280 19.000 -0.078 0.000 0.822 316 A HN 0.757 nan 8.150 nan 0.000 0.447 317 E N 0.528 120.712 120.200 -0.026 0.000 2.085 317 E HA -0.188 4.162 4.350 -0.001 0.000 0.194 317 E C 1.662 178.263 176.600 0.002 0.000 0.994 317 E CA 1.950 58.346 56.400 -0.007 0.000 0.801 317 E CB -0.517 29.176 29.700 -0.011 0.000 0.743 317 E HN 0.677 nan 8.360 nan 0.000 0.453 318 I N 0.700 121.259 120.570 -0.020 0.000 2.353 318 I HA -0.168 4.001 4.170 -0.001 0.000 0.248 318 I C 2.292 178.410 176.117 0.001 0.000 1.119 318 I CA 1.081 62.353 61.300 -0.045 0.000 1.417 318 I CB -0.436 37.463 38.000 -0.169 0.000 1.078 318 I HN 0.124 nan 8.210 nan 0.000 0.421 319 S N 0.840 116.556 115.700 0.026 0.000 2.325 319 S HA 0.175 4.645 4.470 -0.001 0.000 0.214 319 S C 1.763 176.433 174.600 0.118 0.000 1.031 319 S CA 0.760 59.023 58.200 0.105 0.000 0.972 319 S CB -0.420 62.851 63.200 0.118 0.000 0.908 319 S HN 0.601 nan 8.310 nan 0.000 0.453 320 G N 0.741 109.590 108.800 0.082 0.000 2.151 320 G HA2 -0.112 3.847 3.960 -0.001 0.000 0.140 320 G HA3 -0.112 3.847 3.960 -0.001 0.000 0.140 320 G C -0.091 174.851 174.900 0.071 0.000 1.020 320 G CA -0.291 44.854 45.100 0.075 0.000 0.688 320 G HN 1.015 nan 8.290 nan 0.000 0.500 321 V N -1.335 118.621 119.914 0.070 0.000 2.481 321 V HA 0.724 4.843 4.120 -0.001 0.000 0.286 321 V C 0.450 176.565 176.094 0.035 0.000 1.042 321 V CA -1.618 60.720 62.300 0.064 0.000 0.928 321 V CB 1.797 33.669 31.823 0.082 0.000 0.986 321 V HN 0.197 nan 8.190 nan 0.000 0.462 322 E N 5.923 126.143 120.200 0.033 0.000 2.415 322 E HA 0.087 4.436 4.350 -0.001 0.000 0.263 322 E C -1.390 175.216 176.600 0.010 0.000 0.995 322 E CA -1.305 55.107 56.400 0.021 0.000 0.915 322 E CB 1.211 30.927 29.700 0.026 0.000 0.951 322 E HN 0.575 nan 8.360 nan 0.000 0.449 323 P HA -0.262 nan 4.420 nan 0.000 0.217 323 P C 1.054 178.355 177.300 0.000 0.000 1.151 323 P CA 1.630 64.708 63.100 -0.036 0.000 0.849 323 P CB 0.191 31.863 31.700 -0.047 0.000 0.787 324 A N -0.591 122.241 122.820 0.020 0.000 1.986 324 A HA -0.179 4.140 4.320 -0.001 0.000 0.220 324 A C 2.205 179.815 177.584 0.043 0.000 1.171 324 A CA 1.558 53.616 52.037 0.035 0.000 0.640 324 A CB -1.366 17.655 19.000 0.034 0.000 0.811 324 A HN 0.111 nan 8.150 nan 0.000 0.451 325 L N -1.288 119.961 121.223 0.043 0.000 2.095 325 L HA -0.017 4.323 4.340 -0.001 0.000 0.204 325 L C 2.189 179.100 176.870 0.069 0.000 1.080 325 L CA 1.148 56.020 54.840 0.052 0.000 0.759 325 L CB -0.922 41.168 42.059 0.052 0.000 0.914 325 L HN 0.247 nan 8.230 nan 0.000 0.439 326 L N -0.687 120.583 121.223 0.079 0.000 2.191 326 L HA -0.146 4.194 4.340 -0.001 0.000 0.212 326 L C 2.466 179.478 176.870 0.236 0.000 1.103 326 L CA 1.358 56.300 54.840 0.169 0.000 0.769 326 L CB -0.840 41.275 42.059 0.093 0.000 0.908 326 L HN 0.341 nan 8.230 nan 0.000 0.438 327 E N -0.593 119.685 120.200 0.130 0.000 2.152 327 E HA -0.168 4.182 4.350 -0.001 0.000 0.192 327 E C 1.973 178.565 176.600 -0.013 0.000 0.983 327 E CA 0.659 57.105 56.400 0.077 0.000 0.818 327 E CB 0.179 29.933 29.700 0.091 0.000 0.758 327 E HN 0.583 nan 8.360 nan 0.000 0.467 328 E N 0.519 120.731 120.200 0.021 0.000 2.072 328 E HA -0.175 4.174 4.350 -0.001 0.000 0.191 328 E C 2.127 178.709 176.600 -0.030 0.000 0.985 328 E CA 0.472 56.875 56.400 0.005 0.000 0.801 328 E CB 0.021 29.745 29.700 0.039 0.000 0.750 328 E HN 0.046 nan 8.360 nan 0.000 0.452 329 L N 1.064 122.292 121.223 0.008 0.000 1.937 329 L HA -0.192 4.148 4.340 -0.001 0.000 0.213 329 L C 2.326 179.137 176.870 -0.097 0.000 1.077 329 L CA 2.193 57.042 54.840 0.016 0.000 0.758 329 L CB -0.995 41.126 42.059 0.103 0.000 0.888 329 L HN 0.079 nan 8.230 nan 0.000 0.433 330 A N -0.777 121.969 122.820 -0.124 0.000 1.916 330 A HA -0.377 3.943 4.320 -0.001 0.000 0.224 330 A C 2.167 179.545 177.584 -0.344 0.000 1.366 330 A CA 2.496 54.318 52.037 -0.357 0.000 0.692 330 A CB -1.065 17.433 19.000 -0.836 0.000 0.841 330 A HN 0.637 nan 8.150 nan 0.000 0.480 331 E N -0.957 119.046 120.200 -0.328 0.000 2.085 331 E HA -0.171 4.178 4.350 -0.001 0.000 0.194 331 E C 2.026 178.455 176.600 -0.284 0.000 0.994 331 E CA 1.135 57.416 56.400 -0.198 0.000 0.801 331 E CB -0.416 29.222 29.700 -0.103 0.000 0.743 331 E HN 0.483 nan 8.360 nan 0.000 0.453 332 L N -0.115 120.820 121.223 -0.480 0.000 1.994 332 L HA -0.179 4.160 4.340 -0.001 0.000 0.208 332 L C 2.209 178.334 176.870 -1.242 0.000 1.071 332 L CA 1.563 55.838 54.840 -0.942 0.000 0.745 332 L CB -1.248 39.944 42.059 -1.446 0.000 0.892 332 L HN 0.214 nan 8.230 nan 0.000 0.431 333 Y N -1.209 118.316 120.300 -1.291 0.000 2.716 333 Y HA -0.169 4.381 4.550 -0.001 0.000 0.302 333 Y C 1.998 177.633 175.900 -0.442 0.000 1.160 333 Y CA 0.645 58.185 58.100 -0.933 0.000 1.362 333 Y CB -0.054 38.055 38.460 -0.584 0.000 0.988 333 Y HN 0.235 nan 8.280 nan 0.000 0.546 334 A N -0.702 121.988 122.820 -0.216 0.000 2.009 334 A HA 0.080 4.399 4.320 -0.001 0.000 0.197 334 A C 0.141 177.689 177.584 -0.059 0.000 1.471 334 A CA 0.085 52.073 52.037 -0.081 0.000 0.973 334 A CB -0.383 18.615 19.000 -0.004 0.000 1.020 334 A HN 0.376 nan 8.150 nan 0.000 0.476 335 D N 2.054 122.410 120.400 -0.073 0.000 2.479 335 D HA 0.124 4.764 4.640 -0.001 0.000 0.257 335 D C -1.965 174.322 176.300 -0.021 0.000 1.230 335 D CA -0.878 53.104 54.000 -0.030 0.000 0.912 335 D CB 0.238 41.026 40.800 -0.019 0.000 1.130 335 D HN 0.229 nan 8.370 nan 0.000 0.515 336 P HA -0.083 nan 4.420 nan 0.000 0.301 336 P C -0.478 176.824 177.300 0.003 0.000 1.560 336 P CA 0.457 63.555 63.100 -0.002 0.000 0.784 336 P CB 0.340 32.041 31.700 0.001 0.000 1.715 337 D N -1.475 118.930 120.400 0.008 0.000 2.335 337 D HA 0.085 4.724 4.640 -0.001 0.000 0.284 337 D C 0.620 176.940 176.300 0.034 0.000 1.096 337 D CA -0.136 53.869 54.000 0.009 0.000 0.844 337 D CB 0.221 41.017 40.800 -0.006 0.000 1.454 337 D HN -0.008 nan 8.370 nan 0.000 0.526 338 R N 1.595 122.133 120.500 0.064 0.000 2.351 338 R HA 0.163 4.502 4.340 -0.001 0.000 0.318 338 R C -0.274 176.141 176.300 0.191 0.000 1.055 338 R CA 0.193 56.388 56.100 0.158 0.000 0.968 338 R CB 0.287 30.712 30.300 0.207 0.000 0.974 338 R HN -0.206 nan 8.270 nan 0.000 0.439 339 K N 4.607 125.092 120.400 0.143 0.000 2.292 339 K HA 0.015 4.334 4.320 -0.001 0.000 0.290 339 K C -0.483 176.190 176.600 0.121 0.000 1.083 339 K CA -0.104 56.241 56.287 0.097 0.000 0.918 339 K CB 0.707 33.204 32.500 -0.004 0.000 1.089 339 K HN 0.467 nan 8.250 nan 0.000 0.473 340 W N 4.482 125.731 121.300 -0.085 0.000 2.237 340 W HA 0.203 4.862 4.660 -0.001 0.000 0.335 340 W C -0.060 176.469 176.519 0.016 0.000 1.230 340 W CA -0.477 56.789 57.345 -0.132 0.000 1.253 340 W CB 1.339 30.640 29.460 -0.266 0.000 1.129 340 W HN 0.265 nan 8.180 nan 0.000 0.590 341 M N 4.580 123.853 119.600 -0.545 0.000 2.060 341 M HA 0.119 4.598 4.480 -0.001 0.000 0.231 341 M C -1.222 175.032 176.300 -0.076 0.000 0.936 341 M CA -0.033 55.129 55.300 -0.230 0.000 0.981 341 M CB 0.814 33.112 32.600 -0.504 0.000 2.216 341 M HN 0.141 nan 8.290 nan 0.000 0.399 342 S N 4.500 120.402 115.700 0.335 0.000 2.523 342 S HA 0.710 5.179 4.470 -0.001 0.000 0.275 342 S C -0.334 174.630 174.600 0.607 0.000 1.281 342 S CA -0.506 58.077 58.200 0.638 0.000 1.050 342 S CB 1.109 64.982 63.200 1.123 0.000 0.937 342 S HN 0.645 nan 8.310 nan 0.000 0.492 343 L N 3.057 124.634 121.223 0.589 0.000 2.386 343 L HA 0.798 5.138 4.340 -0.001 0.000 0.271 343 L C -0.973 176.207 176.870 0.518 0.000 0.993 343 L CA -0.530 54.552 54.840 0.403 0.000 0.819 343 L CB 1.524 43.751 42.059 0.280 0.000 1.294 343 L HN 0.933 nan 8.230 nan 0.000 0.414 344 W N 1.523 122.890 121.300 0.110 0.000 3.372 344 W HA 0.824 5.484 4.660 -0.001 0.000 0.315 344 W C -1.055 175.484 176.519 0.033 0.000 1.223 344 W CA -0.485 56.849 57.345 -0.019 0.000 1.202 344 W CB 0.897 30.231 29.460 -0.211 0.000 1.367 344 W HN 0.373 nan 8.180 nan 0.000 0.531 345 T N 1.619 116.295 114.554 0.204 0.000 2.548 345 T HA 0.165 4.514 4.350 -0.001 0.000 0.214 345 T C 1.368 176.242 174.700 0.289 0.000 0.873 345 T CA -0.583 61.627 62.100 0.184 0.000 1.180 345 T CB 0.057 69.017 68.868 0.153 0.000 1.960 345 T HN 0.480 nan 8.240 nan 0.000 0.505 346 M N 1.506 121.262 119.600 0.259 0.000 2.435 346 M HA 0.037 4.516 4.480 -0.001 0.000 0.262 346 M C 2.368 178.859 176.300 0.318 0.000 1.065 346 M CA 1.078 56.549 55.300 0.285 0.000 1.076 346 M CB -1.977 30.768 32.600 0.242 0.000 1.403 346 M HN 0.764 nan 8.290 nan 0.000 0.454 347 G N -0.237 108.739 108.800 0.294 0.000 2.440 347 G HA2 -0.218 3.742 3.960 -0.001 0.000 0.218 347 G HA3 -0.218 3.742 3.960 -0.001 0.000 0.218 347 G C 1.304 176.533 174.900 0.548 0.000 1.154 347 G CA 0.561 45.860 45.100 0.332 0.000 0.767 347 G HN 0.314 nan 8.290 nan 0.000 0.552 348 F N 0.937 121.093 119.950 0.345 0.000 2.317 348 F HA 0.182 4.708 4.527 -0.001 0.000 0.293 348 F C 2.325 178.262 175.800 0.229 0.000 1.085 348 F CA 0.284 58.429 58.000 0.242 0.000 1.390 348 F CB -0.660 38.377 39.000 0.061 0.000 1.077 348 F HN 0.071 nan 8.300 nan 0.000 0.517 349 N N 0.106 119.095 118.700 0.481 0.000 2.216 349 N HA -0.105 4.635 4.740 -0.001 0.000 0.183 349 N C 0.593 176.282 175.510 0.298 0.000 1.017 349 N CA 0.787 54.046 53.050 0.348 0.000 0.861 349 N CB -0.333 38.360 38.487 0.343 0.000 0.986 349 N HN 0.302 nan 8.380 nan 0.000 0.428 350 Q N 0.441 120.434 119.800 0.322 0.000 3.041 350 Q HA 0.108 4.447 4.340 -0.001 0.000 0.372 350 Q C -0.764 175.383 176.000 0.244 0.000 1.241 350 Q CA -0.024 55.946 55.803 0.277 0.000 1.010 350 Q CB 0.101 29.046 28.738 0.345 0.000 1.467 350 Q HN 0.291 nan 8.270 nan 0.000 0.462 351 H N 0.590 119.728 119.070 0.113 0.000 2.689 351 H HA 0.107 4.662 4.556 -0.001 0.000 0.346 351 H C 0.852 176.167 175.328 -0.022 0.000 1.037 351 H CA -0.659 55.432 56.048 0.072 0.000 1.234 351 H CB 1.816 31.634 29.762 0.094 0.000 1.572 351 H HN 0.191 nan 8.280 nan 0.000 0.524 352 V N 2.989 123.025 119.914 0.203 0.000 3.140 352 V HA 0.014 4.133 4.120 -0.001 0.000 0.269 352 V C 0.912 176.919 176.094 -0.145 0.000 1.149 352 V CA 1.215 63.545 62.300 0.049 0.000 1.162 352 V CB -0.478 31.428 31.823 0.138 0.000 0.756 352 V HN 0.453 nan 8.190 nan 0.000 0.523 353 R N 0.233 120.686 120.500 -0.078 0.000 2.734 353 R HA 0.374 4.713 4.340 -0.001 0.000 0.395 353 R C 1.501 177.472 176.300 -0.549 0.000 1.096 353 R CA 0.484 56.248 56.100 -0.561 0.000 1.071 353 R CB 0.540 30.473 30.300 -0.612 0.000 1.348 353 R HN 0.465 nan 8.270 nan 0.000 0.600 354 G N 0.165 108.792 108.800 -0.289 0.000 2.421 354 G HA2 -0.190 3.770 3.960 -0.001 0.000 0.216 354 G HA3 -0.190 3.770 3.960 -0.001 0.000 0.216 354 G C 1.292 176.065 174.900 -0.212 0.000 1.171 354 G CA 0.615 45.589 45.100 -0.210 0.000 0.775 354 G HN 0.145 nan 8.290 nan 0.000 0.543 355 V N -0.200 119.641 119.914 -0.121 0.000 2.324 355 V HA -0.195 3.924 4.120 -0.001 0.000 0.250 355 V C 2.587 178.762 176.094 0.135 0.000 1.060 355 V CA 1.780 64.077 62.300 -0.005 0.000 1.042 355 V CB -0.568 31.303 31.823 0.079 0.000 0.650 355 V HN 0.513 nan 8.190 nan 0.000 0.450 356 W N 0.104 121.317 121.300 -0.145 0.000 2.381 356 W HA -0.049 4.611 4.660 -0.001 0.000 0.301 356 W C 2.717 179.014 176.519 -0.370 0.000 1.205 356 W CA 1.121 58.367 57.345 -0.165 0.000 1.285 356 W CB -1.522 27.809 29.460 -0.216 0.000 1.133 356 W HN 0.269 nan 8.180 nan 0.000 0.521 357 A N 0.595 123.174 122.820 -0.401 0.000 1.865 357 A HA -0.260 4.060 4.320 -0.001 0.000 0.217 357 A C 2.064 178.994 177.584 -1.089 0.000 1.191 357 A CA 1.988 53.430 52.037 -0.991 0.000 0.623 357 A CB -1.180 16.911 19.000 -1.515 0.000 0.826 357 A HN 0.360 nan 8.150 nan 0.000 0.444 358 N N -1.150 117.061 118.700 -0.815 0.000 2.018 358 N HA -0.227 4.512 4.740 -0.001 0.000 0.196 358 N C 1.736 176.882 175.510 -0.607 0.000 1.043 358 N CA 1.777 54.367 53.050 -0.767 0.000 0.856 358 N CB -0.529 37.751 38.487 -0.345 0.000 1.042 358 N HN 0.583 nan 8.380 nan 0.000 0.423 359 H N 1.153 120.074 119.070 -0.248 0.000 2.265 359 H HA -0.128 4.428 4.556 -0.001 0.000 0.293 359 H C 2.335 177.524 175.328 -0.232 0.000 1.089 359 H CA 1.485 57.463 56.048 -0.117 0.000 1.244 359 H CB -0.391 29.306 29.762 -0.109 0.000 1.355 359 H HN 0.312 nan 8.280 nan 0.000 0.485 360 M N 0.237 119.705 119.600 -0.220 0.000 2.144 360 M HA -0.160 4.320 4.480 -0.001 0.000 0.260 360 M C 2.513 178.572 176.300 -0.401 0.000 1.067 360 M CA 1.417 56.539 55.300 -0.298 0.000 1.095 360 M CB -0.324 32.040 32.600 -0.394 0.000 1.365 360 M HN 0.068 nan 8.290 nan 0.000 0.406 361 V N -1.711 117.818 119.914 -0.642 0.000 2.379 361 V HA -0.235 3.884 4.120 -0.001 0.000 0.245 361 V C 1.926 177.875 176.094 -0.242 0.000 1.044 361 V CA 1.576 63.509 62.300 -0.613 0.000 1.036 361 V CB -1.485 29.739 31.823 -0.999 0.000 0.664 361 V HN 0.356 nan 8.190 nan 0.000 0.453 362 Y N 1.415 121.633 120.300 -0.136 0.000 2.224 362 Y HA -0.176 4.374 4.550 -0.001 0.000 0.289 362 Y C 2.777 178.694 175.900 0.030 0.000 1.146 362 Y CA 1.466 59.594 58.100 0.047 0.000 1.182 362 Y CB -0.536 37.926 38.460 0.003 0.000 0.983 362 Y HN 0.277 nan 8.280 nan 0.000 0.524 363 N N 0.610 119.343 118.700 0.055 0.000 2.037 363 N HA -0.210 4.529 4.740 -0.001 0.000 0.196 363 N C 1.806 177.319 175.510 0.004 0.000 1.034 363 N CA 1.635 54.668 53.050 -0.028 0.000 0.861 363 N CB -0.870 37.601 38.487 -0.026 0.000 1.039 363 N HN 0.331 nan 8.380 nan 0.000 0.427 364 L N 0.083 121.278 121.223 -0.046 0.000 2.081 364 L HA -0.208 4.131 4.340 -0.001 0.000 0.212 364 L C 2.250 179.087 176.870 -0.054 0.000 1.080 364 L CA 1.292 56.049 54.840 -0.137 0.000 0.754 364 L CB -0.631 41.156 42.059 -0.454 0.000 0.893 364 L HN 0.380 nan 8.230 nan 0.000 0.433 365 H N -0.149 118.994 119.070 0.121 0.000 2.372 365 H HA -0.020 4.535 4.556 -0.001 0.000 0.301 365 H C 2.451 177.833 175.328 0.091 0.000 1.065 365 H CA 1.263 57.425 56.048 0.189 0.000 1.364 365 H CB 0.112 30.062 29.762 0.313 0.000 1.406 365 H HN 0.310 nan 8.280 nan 0.000 0.521 366 L N 0.181 121.538 121.223 0.223 0.000 2.046 366 L HA -0.191 4.148 4.340 -0.001 0.000 0.208 366 L C 2.446 179.391 176.870 0.125 0.000 1.077 366 L CA 0.470 55.434 54.840 0.207 0.000 0.747 366 L CB -0.359 41.745 42.059 0.076 0.000 0.896 366 L HN 0.135 nan 8.230 nan 0.000 0.432 367 L N -0.098 121.144 121.223 0.032 0.000 2.079 367 L HA -0.193 4.146 4.340 -0.001 0.000 0.210 367 L C 2.685 179.568 176.870 0.021 0.000 1.081 367 L CA 2.420 57.273 54.840 0.022 0.000 0.752 367 L CB -1.231 40.849 42.059 0.034 0.000 0.896 367 L HN 0.482 nan 8.230 nan 0.000 0.433 368 T N -5.015 109.526 114.554 -0.023 0.000 3.044 368 T HA 0.321 4.671 4.350 -0.001 0.000 0.250 368 T C 1.420 176.015 174.700 -0.174 0.000 1.081 368 T CA 0.410 62.477 62.100 -0.056 0.000 1.040 368 T CB 0.140 68.984 68.868 -0.040 0.000 0.962 368 T HN 0.388 nan 8.240 nan 0.000 0.506 369 G N 1.997 110.541 108.800 -0.426 0.000 2.147 369 G HA2 -0.243 3.716 3.960 -0.001 0.000 0.244 369 G HA3 -0.243 3.716 3.960 -0.001 0.000 0.244 369 G C -0.056 174.524 174.900 -0.532 0.000 1.005 369 G CA -0.032 44.413 45.100 -1.092 0.000 0.713 369 G HN 0.596 nan 8.290 nan 0.000 0.515 370 K N 0.094 120.392 120.400 -0.170 0.000 2.229 370 K HA 0.655 4.974 4.320 -0.001 0.000 0.247 370 K C -0.139 176.621 176.600 0.267 0.000 1.117 370 K CA -0.199 56.135 56.287 0.078 0.000 1.036 370 K CB 0.770 33.375 32.500 0.176 0.000 1.654 370 K HN 0.499 nan 8.250 nan 0.000 0.405 371 I N -1.172 119.483 120.570 0.142 0.000 2.882 371 I HA 0.013 4.182 4.170 -0.001 0.000 0.298 371 I C -0.711 175.524 176.117 0.196 0.000 1.462 371 I CA -0.182 61.265 61.300 0.245 0.000 1.000 371 I CB 2.168 40.413 38.000 0.408 0.000 1.340 371 I HN 0.410 nan 8.210 nan 0.000 0.462 372 S N 2.759 118.586 115.700 0.213 0.000 3.587 372 S HA -0.179 4.291 4.470 -0.001 0.000 0.337 372 S C -0.391 174.187 174.600 -0.037 0.000 1.119 372 S CA 1.258 59.560 58.200 0.170 0.000 0.976 372 S CB -1.283 62.048 63.200 0.219 0.000 0.922 372 S HN 0.702 nan 8.310 nan 0.000 0.503 373 E N 0.393 120.469 120.200 -0.207 0.000 2.367 373 E HA 0.357 4.707 4.350 -0.001 0.000 0.273 373 E C -2.849 173.270 176.600 -0.802 0.000 0.903 373 E CA -2.619 53.474 56.400 -0.512 0.000 0.764 373 E CB 1.811 31.379 29.700 -0.220 0.000 1.252 373 E HN -0.043 nan 8.360 nan 0.000 0.446 374 P HA -0.014 nan 4.420 nan 0.000 0.266 374 P C 0.603 177.749 177.300 -0.256 0.000 1.215 374 P CA 0.985 63.621 63.100 -0.774 0.000 0.763 374 P CB 0.596 31.796 31.700 -0.834 0.000 0.806 375 G N 3.954 112.710 108.800 -0.073 0.000 2.358 375 G HA2 -0.242 3.717 3.960 -0.001 0.000 0.224 375 G HA3 -0.242 3.717 3.960 -0.001 0.000 0.224 375 G C 0.218 175.076 174.900 -0.071 0.000 1.073 375 G CA -0.308 44.739 45.100 -0.088 0.000 0.635 375 G HN 0.569 nan 8.290 nan 0.000 0.509 376 N N 1.177 119.860 118.700 -0.028 0.000 2.527 376 N HA 0.550 5.289 4.740 -0.001 0.000 0.236 376 N C -0.492 175.102 175.510 0.140 0.000 0.999 376 N CA 0.581 53.679 53.050 0.081 0.000 0.935 376 N CB 1.217 39.751 38.487 0.078 0.000 1.132 376 N HN 0.672 nan 8.380 nan 0.000 0.511 377 S N 2.112 117.913 115.700 0.168 0.000 2.548 377 S HA 0.434 4.904 4.470 -0.001 0.000 0.278 377 S C -3.261 171.359 174.600 0.033 0.000 1.150 377 S CA -1.264 57.011 58.200 0.126 0.000 0.907 377 S CB 2.324 65.620 63.200 0.160 0.000 1.108 377 S HN 0.129 nan 8.310 nan 0.000 0.459 378 P HA 0.332 nan 4.420 nan 0.000 0.273 378 P C -1.280 176.139 177.300 0.198 0.000 1.531 378 P CA -0.168 62.977 63.100 0.076 0.000 1.027 378 P CB -0.318 31.392 31.700 0.016 0.000 1.387 379 F N 2.823 122.708 119.950 -0.109 0.000 2.411 379 F HA 0.300 4.826 4.527 -0.001 0.000 0.355 379 F C 0.810 176.095 175.800 -0.859 0.000 1.117 379 F CA -0.177 57.631 58.000 -0.321 0.000 1.139 379 F CB 1.163 40.035 39.000 -0.214 0.000 1.120 379 F HN 0.112 nan 8.300 nan 0.000 0.493 380 S N 7.175 122.105 115.700 -1.284 0.000 2.439 380 S HA 0.481 4.951 4.470 -0.001 0.000 0.282 380 S C -0.443 173.700 174.600 -0.762 0.000 1.170 380 S CA -0.737 56.624 58.200 -1.398 0.000 1.054 380 S CB -0.040 62.682 63.200 -0.797 0.000 0.956 380 S HN 0.619 nan 8.310 nan 0.000 0.490 381 L N 4.802 125.755 121.223 -0.451 0.000 2.349 381 L HA 0.346 4.685 4.340 -0.001 0.000 0.275 381 L C 0.726 177.599 176.870 0.005 0.000 1.115 381 L CA -0.307 54.468 54.840 -0.109 0.000 0.820 381 L CB 1.168 43.078 42.059 -0.248 0.000 1.135 381 L HN 0.563 nan 8.230 nan 0.000 0.445 382 T N 1.786 116.447 114.554 0.179 0.000 2.902 382 T HA 0.310 4.660 4.350 -0.001 0.000 0.283 382 T C 0.932 175.857 174.700 0.375 0.000 1.009 382 T CA -0.090 62.152 62.100 0.237 0.000 1.051 382 T CB 1.858 70.849 68.868 0.206 0.000 0.999 382 T HN 0.808 nan 8.240 nan 0.000 0.474 383 G N 1.489 110.482 108.800 0.322 0.000 2.499 383 G HA2 0.001 3.961 3.960 -0.001 0.000 0.213 383 G HA3 0.001 3.961 3.960 -0.001 0.000 0.213 383 G C 0.508 175.618 174.900 0.351 0.000 1.230 383 G CA 0.360 45.655 45.100 0.325 0.000 0.813 383 G HN 0.634 nan 8.290 nan 0.000 0.542 384 Q N 0.662 120.669 119.800 0.346 0.000 2.535 384 Q HA 0.140 4.479 4.340 -0.001 0.000 0.228 384 Q C -1.268 174.843 176.000 0.185 0.000 1.062 384 Q CA -1.230 54.807 55.803 0.389 0.000 0.967 384 Q CB 0.975 29.896 28.738 0.306 0.000 1.273 384 Q HN 0.137 nan 8.270 nan 0.000 0.554 385 P HA -0.155 nan 4.420 nan 0.000 0.217 385 P C 0.109 177.255 177.300 -0.258 0.000 1.150 385 P CA 1.767 64.706 63.100 -0.267 0.000 0.832 385 P CB 0.121 31.378 31.700 -0.739 0.000 0.787 386 F N -1.753 118.043 119.950 -0.258 0.000 2.677 386 F HA 0.752 5.278 4.527 -0.001 0.000 0.388 386 F C 1.667 177.514 175.800 0.079 0.000 1.400 386 F CA -0.215 57.764 58.000 -0.036 0.000 1.162 386 F CB -0.392 38.642 39.000 0.058 0.000 1.135 386 F HN 0.067 nan 8.300 nan 0.000 0.516 387 A N -1.061 121.827 122.820 0.114 0.000 2.015 387 A HA 0.005 4.324 4.320 -0.001 0.000 0.219 387 A C 2.175 179.885 177.584 0.211 0.000 1.163 387 A CA 2.034 54.170 52.037 0.165 0.000 0.646 387 A CB -1.076 18.043 19.000 0.198 0.000 0.806 387 A HN 0.690 nan 8.150 nan 0.000 0.448 388 C N -1.558 117.858 119.300 0.193 0.000 2.739 388 C HA 0.209 4.668 4.460 -0.001 0.000 0.285 388 C C 3.067 178.186 174.990 0.215 0.000 1.301 388 C CA 0.513 59.658 59.018 0.213 0.000 1.700 388 C CB -1.417 26.437 27.740 0.190 0.000 2.147 388 C HN 0.628 nan 8.230 nan 0.000 0.510 389 G N 0.044 108.961 108.800 0.195 0.000 2.545 389 G HA2 -0.231 3.729 3.960 -0.001 0.000 0.222 389 G HA3 -0.231 3.729 3.960 -0.001 0.000 0.222 389 G C 1.472 176.438 174.900 0.109 0.000 1.126 389 G CA 2.245 47.451 45.100 0.176 0.000 0.754 389 G HN 0.578 nan 8.290 nan 0.000 0.583 390 T N 0.129 114.751 114.554 0.113 0.000 3.499 390 T HA 0.446 4.796 4.350 -0.001 0.000 0.227 390 T C 2.724 177.495 174.700 0.117 0.000 0.946 390 T CA 0.870 63.011 62.100 0.068 0.000 1.368 390 T CB -0.716 68.226 68.868 0.124 0.000 1.227 390 T HN 0.288 nan 8.240 nan 0.000 0.398 391 A N 2.261 125.174 122.820 0.156 0.000 1.863 391 A HA -0.279 4.040 4.320 -0.001 0.000 0.218 391 A C 2.292 180.142 177.584 0.443 0.000 1.233 391 A CA 2.404 54.537 52.037 0.160 0.000 0.655 391 A CB -0.788 18.237 19.000 0.042 0.000 0.839 391 A HN 0.454 nan 8.150 nan 0.000 0.454 392 R N -0.845 119.936 120.500 0.469 0.000 2.064 392 R HA -0.085 4.255 4.340 -0.001 0.000 0.228 392 R C 2.353 178.773 176.300 0.201 0.000 1.144 392 R CA 1.638 57.968 56.100 0.383 0.000 0.932 392 R CB -0.481 29.984 30.300 0.275 0.000 0.833 392 R HN 0.720 nan 8.270 nan 0.000 0.429 393 E N 0.167 120.465 120.200 0.163 0.000 2.085 393 E HA -0.166 4.184 4.350 -0.001 0.000 0.194 393 E C 1.907 178.554 176.600 0.078 0.000 0.994 393 E CA 1.443 57.892 56.400 0.083 0.000 0.801 393 E CB -0.005 29.755 29.700 0.100 0.000 0.743 393 E HN 0.090 nan 8.360 nan 0.000 0.453 394 V N -0.042 119.899 119.914 0.046 0.000 3.041 394 V HA 0.015 4.135 4.120 -0.001 0.000 0.260 394 V C 1.023 177.143 176.094 0.043 0.000 1.105 394 V CA 0.863 63.147 62.300 -0.027 0.000 1.125 394 V CB -0.479 31.188 31.823 -0.259 0.000 0.730 394 V HN 0.506 nan 8.190 nan 0.000 0.479 395 G N 1.007 109.870 108.800 0.105 0.000 2.531 395 G HA2 -0.211 3.749 3.960 -0.001 0.000 0.283 395 G HA3 -0.211 3.749 3.960 -0.001 0.000 0.283 395 G C 0.158 175.164 174.900 0.176 0.000 1.068 395 G CA 0.298 45.484 45.100 0.145 0.000 1.273 395 G HN 0.355 nan 8.290 nan 0.000 0.532 396 T N 1.278 115.986 114.554 0.257 0.000 3.242 396 T HA 0.488 4.837 4.350 -0.001 0.000 0.253 396 T C -0.054 174.639 174.700 -0.012 0.000 0.946 396 T CA 0.017 62.182 62.100 0.109 0.000 0.944 396 T CB -0.186 68.736 68.868 0.089 0.000 1.122 396 T HN 0.385 nan 8.240 nan 0.000 0.546 397 F N 0.134 120.108 119.950 0.041 0.000 2.538 397 F HA 0.622 5.148 4.527 -0.001 0.000 0.325 397 F C 1.404 177.252 175.800 0.080 0.000 1.066 397 F CA -1.620 56.434 58.000 0.090 0.000 0.946 397 F CB 0.867 39.936 39.000 0.116 0.000 1.199 397 F HN 0.099 nan 8.300 nan 0.000 0.473 398 A N 1.053 124.089 122.820 0.361 0.000 1.985 398 A HA -0.263 4.057 4.320 -0.001 0.000 0.223 398 A C 1.748 179.461 177.584 0.216 0.000 1.189 398 A CA 2.508 54.711 52.037 0.277 0.000 0.658 398 A CB -1.249 17.953 19.000 0.338 0.000 0.820 398 A HN 0.862 nan 8.150 nan 0.000 0.464 399 H N -2.238 116.935 119.070 0.173 0.000 2.520 399 H HA 0.441 4.996 4.556 -0.001 0.000 0.284 399 H C 0.555 175.930 175.328 0.078 0.000 1.037 399 H CA -0.043 56.068 56.048 0.105 0.000 1.168 399 H CB -0.175 29.654 29.762 0.112 0.000 1.497 399 H HN 0.417 nan 8.280 nan 0.000 0.547 400 R N 0.456 120.739 120.500 -0.361 0.000 2.892 400 R HA 0.649 4.989 4.340 -0.001 0.000 0.265 400 R C -1.067 175.149 176.300 -0.140 0.000 1.025 400 R CA -0.773 55.117 56.100 -0.350 0.000 0.982 400 R CB 2.110 32.134 30.300 -0.459 0.000 1.185 400 R HN 0.127 nan 8.270 nan 0.000 0.484 401 L N 1.452 122.585 121.223 -0.150 0.000 2.277 401 L HA 0.578 4.917 4.340 -0.001 0.000 0.254 401 L C -2.259 174.484 176.870 -0.212 0.000 1.044 401 L CA -2.540 52.205 54.840 -0.158 0.000 0.842 401 L CB 2.541 44.492 42.059 -0.180 0.000 1.422 401 L HN 0.461 nan 8.230 nan 0.000 0.422 402 P HA -0.027 nan 4.420 nan 0.000 0.270 402 P C -0.477 176.625 177.300 -0.331 0.000 1.221 402 P CA 0.229 63.119 63.100 -0.351 0.000 0.788 402 P CB 0.328 31.515 31.700 -0.856 0.000 0.904 403 A N 1.925 124.513 122.820 -0.387 0.000 2.415 403 A HA -0.236 4.084 4.320 -0.001 0.000 0.292 403 A C 0.800 178.056 177.584 -0.547 0.000 1.452 403 A CA 1.173 52.797 52.037 -0.688 0.000 0.750 403 A CB -2.462 16.165 19.000 -0.620 0.000 1.099 403 A HN 0.693 nan 8.150 nan 0.000 0.391 404 D N -2.930 117.266 120.400 -0.341 0.000 3.046 404 D HA -0.206 4.433 4.640 -0.001 0.000 0.210 404 D C 0.314 176.495 176.300 -0.198 0.000 1.124 404 D CA 2.017 55.914 54.000 -0.172 0.000 0.986 404 D CB -1.460 39.321 40.800 -0.031 0.000 1.118 404 D HN 0.881 nan 8.370 nan 0.000 0.416 405 M N 0.292 119.698 119.600 -0.323 0.000 2.250 405 M HA 0.335 4.815 4.480 -0.001 0.000 0.344 405 M C 0.615 176.817 176.300 -0.163 0.000 1.150 405 M CA -0.322 54.685 55.300 -0.487 0.000 1.147 405 M CB 1.689 33.912 32.600 -0.628 0.000 1.498 405 M HN -0.304 nan 8.290 nan 0.000 0.461 406 V N 2.733 122.710 119.914 0.105 0.000 2.612 406 V HA 0.151 4.271 4.120 -0.001 0.000 0.301 406 V C 0.867 177.046 176.094 0.142 0.000 1.046 406 V CA -0.525 61.862 62.300 0.145 0.000 0.946 406 V CB 1.910 33.874 31.823 0.235 0.000 1.003 406 V HN 0.799 nan 8.190 nan 0.000 0.459 407 V N 2.741 122.691 119.914 0.061 0.000 2.667 407 V HA -0.166 3.953 4.120 -0.001 0.000 0.252 407 V C 2.242 178.360 176.094 0.039 0.000 1.065 407 V CA 2.455 64.766 62.300 0.017 0.000 1.083 407 V CB -0.232 31.565 31.823 -0.043 0.000 0.692 407 V HN 1.150 nan 8.190 nan 0.000 0.468 408 T N -0.263 114.339 114.554 0.079 0.000 2.614 408 T HA -0.149 4.200 4.350 -0.001 0.000 0.263 408 T C 1.149 175.868 174.700 0.031 0.000 1.055 408 T CA 0.993 63.135 62.100 0.069 0.000 1.162 408 T CB -0.417 68.506 68.868 0.091 0.000 0.863 408 T HN 0.473 nan 8.240 nan 0.000 0.414 409 N N 2.663 121.372 118.700 0.016 0.000 2.365 409 N HA -0.031 4.708 4.740 -0.001 0.000 0.265 409 N C -2.163 173.282 175.510 -0.108 0.000 1.288 409 N CA -1.184 51.796 53.050 -0.116 0.000 0.869 409 N CB 1.428 39.694 38.487 -0.368 0.000 1.071 409 N HN 0.054 nan 8.380 nan 0.000 0.480 410 P HA -0.022 nan 4.420 nan 0.000 0.222 410 P C 0.759 178.016 177.300 -0.071 0.000 1.153 410 P CA 0.866 63.929 63.100 -0.062 0.000 0.798 410 P CB 0.394 32.065 31.700 -0.047 0.000 0.796 411 E N -0.867 119.251 120.200 -0.136 0.000 2.072 411 E HA -0.184 4.165 4.350 -0.001 0.000 0.191 411 E C 1.921 178.519 176.600 -0.002 0.000 0.985 411 E CA 1.183 57.522 56.400 -0.101 0.000 0.801 411 E CB -0.830 28.777 29.700 -0.155 0.000 0.750 411 E HN 0.447 nan 8.360 nan 0.000 0.452 412 H N 0.902 119.963 119.070 -0.014 0.000 2.299 412 H HA 0.022 4.577 4.556 -0.001 0.000 0.302 412 H C 2.226 177.545 175.328 -0.015 0.000 1.078 412 H CA 1.119 57.169 56.048 0.004 0.000 1.323 412 H CB -0.396 29.360 29.762 -0.010 0.000 1.381 412 H HN 0.064 nan 8.280 nan 0.000 0.498 413 R N 0.346 120.899 120.500 0.089 0.000 2.113 413 R HA -0.179 4.160 4.340 -0.001 0.000 0.244 413 R C 2.382 178.658 176.300 -0.040 0.000 1.142 413 R CA 1.447 57.541 56.100 -0.009 0.000 0.953 413 R CB -0.248 30.040 30.300 -0.020 0.000 0.860 413 R HN 0.325 nan 8.270 nan 0.000 0.438 414 A N -0.143 122.670 122.820 -0.011 0.000 1.877 414 A HA -0.241 4.078 4.320 -0.001 0.000 0.216 414 A C 1.927 179.505 177.584 -0.011 0.000 1.186 414 A CA 1.887 53.913 52.037 -0.019 0.000 0.620 414 A CB -0.892 18.103 19.000 -0.009 0.000 0.822 414 A HN 0.490 nan 8.150 nan 0.000 0.443 415 H N 0.323 119.334 119.070 -0.100 0.000 2.319 415 H HA -0.081 4.474 4.556 -0.001 0.000 0.297 415 H C 2.175 177.342 175.328 -0.268 0.000 1.097 415 H CA 2.001 57.951 56.048 -0.162 0.000 1.285 415 H CB -0.443 29.240 29.762 -0.132 0.000 1.368 415 H HN 0.386 nan 8.280 nan 0.000 0.495 416 A N 0.527 123.180 122.820 -0.280 0.000 1.902 416 A HA -0.160 4.159 4.320 -0.001 0.000 0.217 416 A C 2.325 179.600 177.584 -0.514 0.000 1.181 416 A CA 1.687 53.411 52.037 -0.523 0.000 0.623 416 A CB -0.441 18.201 19.000 -0.596 0.000 0.818 416 A HN 0.659 nan 8.150 nan 0.000 0.443 417 E N -0.204 119.843 120.200 -0.255 0.000 2.077 417 E HA -0.175 4.174 4.350 -0.001 0.000 0.193 417 E C 1.946 178.497 176.600 -0.082 0.000 0.989 417 E CA 1.169 57.501 56.400 -0.113 0.000 0.800 417 E CB -0.123 29.523 29.700 -0.091 0.000 0.746 417 E HN 0.596 nan 8.360 nan 0.000 0.452 418 E N 0.512 120.636 120.200 -0.126 0.000 2.110 418 E HA -0.156 4.193 4.350 -0.001 0.000 0.193 418 E C 2.180 178.707 176.600 -0.121 0.000 0.988 418 E CA 0.830 57.174 56.400 -0.092 0.000 0.804 418 E CB -0.094 29.563 29.700 -0.071 0.000 0.745 418 E HN 0.386 nan 8.360 nan 0.000 0.458 419 I N -0.453 119.954 120.570 -0.272 0.000 2.406 419 I HA -0.158 4.011 4.170 -0.001 0.000 0.249 419 I C 1.667 177.838 176.117 0.090 0.000 1.122 419 I CA 0.534 61.689 61.300 -0.242 0.000 1.431 419 I CB -0.131 37.459 38.000 -0.684 0.000 1.087 419 I HN 0.104 nan 8.210 nan 0.000 0.424 420 W N 1.970 123.252 121.300 -0.029 0.000 3.204 420 W HA 0.104 4.764 4.660 -0.001 0.000 0.249 420 W C 0.528 177.030 176.519 -0.027 0.000 1.322 420 W CA -0.459 56.881 57.345 -0.009 0.000 1.593 420 W CB -1.107 28.342 29.460 -0.018 0.000 1.122 420 W HN 0.073 nan 8.180 nan 0.000 0.710 421 K N 0.417 120.920 120.400 0.172 0.000 3.689 421 K HA -0.206 4.114 4.320 -0.001 0.000 0.276 421 K C -0.319 176.394 176.600 0.189 0.000 0.932 421 K CA 0.315 56.689 56.287 0.144 0.000 0.758 421 K CB -1.772 30.801 32.500 0.122 0.000 1.500 421 K HN 0.125 nan 8.250 nan 0.000 0.448 422 L N 0.775 122.063 121.223 0.109 0.000 2.323 422 L HA 0.592 4.932 4.340 -0.001 0.000 0.265 422 L C -1.902 174.925 176.870 -0.071 0.000 1.012 422 L CA -2.448 52.367 54.840 -0.042 0.000 0.820 422 L CB 1.547 43.541 42.059 -0.109 0.000 1.334 422 L HN 0.029 nan 8.230 nan 0.000 0.427 423 P HA 0.138 nan 4.420 nan 0.000 0.276 423 P C -0.597 176.618 177.300 -0.141 0.000 1.230 423 P CA -0.313 62.729 63.100 -0.097 0.000 0.776 423 P CB 1.055 32.668 31.700 -0.146 0.000 0.888 424 A N 2.945 125.731 122.820 -0.057 0.000 2.587 424 A HA 0.333 4.652 4.320 -0.001 0.000 0.233 424 A C 1.568 179.099 177.584 -0.089 0.000 1.049 424 A CA 0.851 52.851 52.037 -0.061 0.000 0.754 424 A CB -1.348 17.637 19.000 -0.026 0.000 0.977 424 A HN 0.945 nan 8.150 nan 0.000 0.509 425 G N 0.616 109.365 108.800 -0.085 0.000 2.166 425 G HA2 -0.234 3.725 3.960 -0.001 0.000 0.260 425 G HA3 -0.234 3.725 3.960 -0.001 0.000 0.260 425 G C 0.634 175.456 174.900 -0.130 0.000 0.986 425 G CA 0.816 45.867 45.100 -0.081 0.000 0.683 425 G HN 1.471 nan 8.290 nan 0.000 0.527 426 L N -0.498 120.597 121.223 -0.214 0.000 2.049 426 L HA 0.467 4.806 4.340 -0.001 0.000 0.203 426 L C 1.530 178.253 176.870 -0.245 0.000 1.074 426 L CA 0.953 55.584 54.840 -0.349 0.000 0.749 426 L CB -0.419 41.267 42.059 -0.623 0.000 0.907 426 L HN 0.228 nan 8.230 nan 0.000 0.439 427 L N 1.309 122.430 121.223 -0.170 0.000 2.525 427 L HA 0.116 4.456 4.340 -0.001 0.000 0.278 427 L C -1.975 174.853 176.870 -0.070 0.000 1.218 427 L CA -0.881 53.900 54.840 -0.098 0.000 0.878 427 L CB -0.782 41.239 42.059 -0.064 0.000 1.127 427 L HN 0.108 nan 8.230 nan 0.000 0.492 428 P HA 0.133 nan 4.420 nan 0.000 0.275 428 P C -0.394 176.832 177.300 -0.123 0.000 1.228 428 P CA -0.218 62.843 63.100 -0.065 0.000 0.786 428 P CB 0.544 32.093 31.700 -0.251 0.000 0.927 429 D N 0.855 121.275 120.400 0.034 0.000 2.366 429 D HA 0.004 4.644 4.640 -0.001 0.000 0.205 429 D C 0.227 176.588 176.300 0.103 0.000 1.022 429 D CA 0.226 54.258 54.000 0.054 0.000 0.868 429 D CB -0.038 40.826 40.800 0.107 0.000 0.953 429 D HN 0.470 nan 8.370 nan 0.000 0.514 430 W N 2.308 123.648 121.300 0.067 0.000 2.238 430 W HA 0.463 5.122 4.660 -0.001 0.000 0.321 430 W C -0.381 176.205 176.519 0.111 0.000 1.293 430 W CA -1.167 56.227 57.345 0.082 0.000 1.204 430 W CB 0.267 29.772 29.460 0.075 0.000 1.167 430 W HN -0.419 nan 8.180 nan 0.000 0.553 431 V N 4.629 124.717 119.914 0.290 0.000 2.572 431 V HA 0.289 4.408 4.120 -0.001 0.000 0.291 431 V C 1.279 177.569 176.094 0.326 0.000 1.039 431 V CA 0.240 62.673 62.300 0.222 0.000 1.055 431 V CB 0.270 32.236 31.823 0.239 0.000 0.969 431 V HN 0.779 nan 8.190 nan 0.000 0.482 432 G N 3.048 111.975 108.800 0.212 0.000 2.588 432 G HA2 0.502 4.462 3.960 -0.001 0.000 0.278 432 G HA3 0.502 4.462 3.960 -0.001 0.000 0.278 432 G C 0.015 175.101 174.900 0.310 0.000 1.307 432 G CA -0.106 45.177 45.100 0.304 0.000 1.016 432 G HN 1.130 nan 8.290 nan 0.000 0.503 433 A N 0.122 123.112 122.820 0.284 0.000 2.354 433 A HA 0.554 4.873 4.320 -0.001 0.000 0.281 433 A C 0.332 178.018 177.584 0.169 0.000 1.174 433 A CA -0.524 51.604 52.037 0.152 0.000 0.828 433 A CB -0.486 18.587 19.000 0.122 0.000 1.099 433 A HN 0.952 nan 8.150 nan 0.000 0.516 434 H N 0.770 119.976 119.070 0.227 0.000 2.603 434 H HA 0.601 5.156 4.556 -0.001 0.000 0.370 434 H C 1.270 176.729 175.328 0.218 0.000 1.225 434 H CA -0.165 56.029 56.048 0.242 0.000 1.410 434 H CB 0.453 30.348 29.762 0.222 0.000 1.495 434 H HN 0.608 nan 8.280 nan 0.000 0.602 435 A N 1.877 124.948 122.820 0.419 0.000 1.883 435 A HA -0.298 4.021 4.320 -0.001 0.000 0.222 435 A C 2.477 180.181 177.584 0.200 0.000 1.339 435 A CA 3.026 55.236 52.037 0.289 0.000 0.692 435 A CB -1.456 17.707 19.000 0.271 0.000 0.845 435 A HN 0.602 nan 8.150 nan 0.000 0.467 436 V N -0.187 119.943 119.914 0.360 0.000 2.231 436 V HA -0.341 3.779 4.120 -0.001 0.000 0.248 436 V C 2.596 178.722 176.094 0.054 0.000 1.054 436 V CA 2.770 65.212 62.300 0.237 0.000 1.015 436 V CB -0.830 31.179 31.823 0.309 0.000 0.638 436 V HN 0.832 nan 8.190 nan 0.000 0.444 437 E N -0.480 119.610 120.200 -0.183 0.000 2.065 437 E HA -0.374 3.976 4.350 -0.001 0.000 0.201 437 E C 2.274 178.801 176.600 -0.121 0.000 1.016 437 E CA 2.294 58.518 56.400 -0.292 0.000 0.818 437 E CB -0.270 28.993 29.700 -0.729 0.000 0.749 437 E HN 0.647 nan 8.360 nan 0.000 0.453 438 Q N -0.076 119.675 119.800 -0.082 0.000 2.173 438 Q HA -0.241 4.098 4.340 -0.001 0.000 0.208 438 Q C 1.777 177.711 176.000 -0.110 0.000 0.989 438 Q CA 2.084 57.868 55.803 -0.031 0.000 0.872 438 Q CB 0.011 28.788 28.738 0.065 0.000 0.909 438 Q HN 0.406 nan 8.270 nan 0.000 0.420 439 D N -0.741 119.618 120.400 -0.069 0.000 2.097 439 D HA -0.120 4.520 4.640 -0.001 0.000 0.197 439 D C 1.959 178.253 176.300 -0.009 0.000 0.984 439 D CA 1.002 54.977 54.000 -0.042 0.000 0.826 439 D CB -0.008 40.796 40.800 0.006 0.000 0.973 439 D HN 0.291 nan 8.370 nan 0.000 0.460 440 R N 1.049 121.558 120.500 0.014 0.000 2.070 440 R HA -0.051 4.289 4.340 -0.001 0.000 0.232 440 R C 2.282 178.607 176.300 0.042 0.000 1.138 440 R CA 0.846 56.983 56.100 0.061 0.000 0.936 440 R CB -0.237 30.088 30.300 0.043 0.000 0.839 440 R HN 0.114 nan 8.270 nan 0.000 0.429 441 K N 0.452 120.847 120.400 -0.008 0.000 2.362 441 K HA -0.149 4.170 4.320 -0.001 0.000 0.202 441 K C 1.855 178.436 176.600 -0.032 0.000 1.045 441 K CA 0.776 57.054 56.287 -0.015 0.000 0.936 441 K CB -0.073 32.421 32.500 -0.010 0.000 0.747 441 K HN 0.032 nan 8.250 nan 0.000 0.467 442 L N -0.038 121.146 121.223 -0.066 0.000 2.127 442 L HA -0.085 4.254 4.340 -0.001 0.000 0.203 442 L C 2.233 179.108 176.870 0.008 0.000 1.080 442 L CA 1.678 56.448 54.840 -0.117 0.000 0.768 442 L CB -0.606 41.293 42.059 -0.266 0.000 0.924 442 L HN 0.200 nan 8.230 nan 0.000 0.444 443 H N -0.003 119.029 119.070 -0.063 0.000 2.353 443 H HA -0.131 4.425 4.556 -0.001 0.000 0.300 443 H C 1.574 176.883 175.328 -0.030 0.000 1.090 443 H CA 2.038 58.066 56.048 -0.034 0.000 1.327 443 H CB 0.018 29.771 29.762 -0.014 0.000 1.383 443 H HN 0.319 nan 8.280 nan 0.000 0.508 444 D N -1.202 119.204 120.400 0.010 0.000 2.194 444 D HA 0.059 4.698 4.640 -0.001 0.000 0.204 444 D C 1.494 177.772 176.300 -0.038 0.000 0.964 444 D CA 1.465 55.419 54.000 -0.076 0.000 0.846 444 D CB -0.086 40.677 40.800 -0.063 0.000 0.962 444 D HN 0.608 nan 8.370 nan 0.000 0.490 445 G N 0.500 109.292 108.800 -0.013 0.000 2.159 445 G HA2 -0.201 3.759 3.960 -0.001 0.000 0.170 445 G HA3 -0.201 3.759 3.960 -0.001 0.000 0.170 445 G C 0.834 175.734 174.900 -0.000 0.000 1.007 445 G CA 0.127 45.224 45.100 -0.006 0.000 0.672 445 G HN 0.273 nan 8.290 nan 0.000 0.507 446 E N -0.246 119.952 120.200 -0.003 0.000 2.112 446 E HA 0.105 4.454 4.350 -0.001 0.000 0.190 446 E C 1.102 177.720 176.600 0.029 0.000 0.979 446 E CA 0.576 56.979 56.400 0.006 0.000 0.814 446 E CB 0.501 30.203 29.700 0.002 0.000 0.762 446 E HN 0.619 nan 8.360 nan 0.000 0.460 447 I N 1.950 122.534 120.570 0.025 0.000 2.330 447 I HA 0.142 4.311 4.170 -0.001 0.000 0.289 447 I C 0.395 176.547 176.117 0.059 0.000 1.001 447 I CA -0.158 61.182 61.300 0.067 0.000 1.193 447 I CB 1.126 39.157 38.000 0.051 0.000 1.345 447 I HN -0.070 nan 8.210 nan 0.000 0.461 448 N N 4.337 123.118 118.700 0.134 0.000 2.227 448 N HA 0.154 4.894 4.740 -0.001 0.000 0.196 448 N C -0.436 175.238 175.510 0.273 0.000 1.142 448 N CA -0.099 53.042 53.050 0.151 0.000 0.887 448 N CB 0.763 39.328 38.487 0.129 0.000 1.022 448 N HN 0.409 nan 8.380 nan 0.000 0.500 449 F N 1.161 121.217 119.950 0.175 0.000 2.493 449 F HA 0.471 4.997 4.527 -0.001 0.000 0.329 449 F C -1.549 174.454 175.800 0.338 0.000 1.126 449 F CA -1.001 57.149 58.000 0.250 0.000 0.937 449 F CB 1.042 40.161 39.000 0.197 0.000 1.146 449 F HN -0.164 nan 8.300 nan 0.000 0.442 450 Y N 6.312 126.426 120.300 -0.311 0.000 2.386 450 Y HA 0.381 4.930 4.550 -0.001 0.000 0.334 450 Y C -2.069 173.741 175.900 -0.150 0.000 1.002 450 Y CA -1.464 56.558 58.100 -0.130 0.000 1.068 450 Y CB 1.182 39.516 38.460 -0.211 0.000 1.203 450 Y HN 0.662 nan 8.280 nan 0.000 0.443 451 W N 7.744 128.834 121.300 -0.350 0.000 2.424 451 W HA 0.670 5.330 4.660 -0.001 0.000 0.318 451 W C -1.742 174.624 176.519 -0.256 0.000 1.016 451 W CA -1.456 55.758 57.345 -0.219 0.000 1.268 451 W CB 1.199 30.693 29.460 0.057 0.000 1.297 451 W HN 0.287 nan 8.180 nan 0.000 0.428 452 V N 6.488 126.529 119.914 0.212 0.000 2.439 452 V HA 0.405 4.525 4.120 -0.001 0.000 0.282 452 V C -0.122 175.997 176.094 0.042 0.000 1.039 452 V CA -0.463 61.886 62.300 0.082 0.000 0.913 452 V CB 1.445 33.405 31.823 0.229 0.000 0.983 452 V HN 0.423 nan 8.190 nan 0.000 0.460 453 Q N 2.222 121.911 119.800 -0.185 0.000 2.305 453 Q HA 0.482 4.822 4.340 -0.001 0.000 0.271 453 Q C -0.444 175.305 176.000 -0.417 0.000 1.046 453 Q CA -0.775 54.867 55.803 -0.268 0.000 0.798 453 Q CB 2.481 31.035 28.738 -0.307 0.000 1.286 453 Q HN 0.617 nan 8.270 nan 0.000 0.435 454 V N 2.048 121.860 119.914 -0.170 0.000 5.175 454 V HA -0.340 3.779 4.120 -0.001 0.000 0.279 454 V C -0.332 175.711 176.094 -0.084 0.000 0.571 454 V CA 1.696 63.930 62.300 -0.110 0.000 0.694 454 V CB -2.547 29.173 31.823 -0.171 0.000 0.525 454 V HN 0.940 nan 8.190 nan 0.000 1.093 455 N N -0.980 117.721 118.700 0.001 0.000 2.823 455 N HA 0.291 5.030 4.740 -0.001 0.000 0.251 455 N C -0.790 174.832 175.510 0.187 0.000 1.392 455 N CA -0.754 52.352 53.050 0.093 0.000 0.864 455 N CB 2.014 40.506 38.487 0.009 0.000 1.481 455 N HN 0.093 nan 8.380 nan 0.000 0.508 456 N N 0.467 119.309 118.700 0.236 0.000 2.696 456 N HA 0.135 4.874 4.740 -0.001 0.000 0.308 456 N C -0.140 175.511 175.510 0.235 0.000 1.915 456 N CA -0.314 52.873 53.050 0.228 0.000 0.906 456 N CB -0.736 37.886 38.487 0.225 0.000 1.284 456 N HN 0.666 nan 8.380 nan 0.000 0.488 457 N N 0.196 119.066 118.700 0.283 0.000 2.417 457 N HA -0.144 4.595 4.740 -0.001 0.000 0.187 457 N C 1.214 176.770 175.510 0.076 0.000 1.027 457 N CA 0.561 53.775 53.050 0.274 0.000 0.891 457 N CB 0.218 38.946 38.487 0.401 0.000 0.956 457 N HN 0.300 nan 8.380 nan 0.000 0.442 458 M N 0.464 120.059 119.600 -0.008 0.000 2.557 458 M HA -0.054 4.425 4.480 -0.001 0.000 0.259 458 M C 1.644 177.926 176.300 -0.031 0.000 1.086 458 M CA 1.214 56.440 55.300 -0.124 0.000 1.096 458 M CB -0.252 32.260 32.600 -0.148 0.000 1.424 458 M HN 0.249 nan 8.290 nan 0.000 0.488 459 Q N -1.886 117.947 119.800 0.055 0.000 2.471 459 Q HA 0.167 4.506 4.340 -0.001 0.000 0.241 459 Q C 1.867 177.893 176.000 0.042 0.000 0.886 459 Q CA 0.628 56.496 55.803 0.107 0.000 0.953 459 Q CB 0.393 29.267 28.738 0.226 0.000 1.108 459 Q HN 0.430 nan 8.270 nan 0.000 0.575 460 A N 1.173 124.003 122.820 0.017 0.000 1.872 460 A HA 0.208 4.527 4.320 -0.001 0.000 0.214 460 A C 1.201 178.550 177.584 -0.391 0.000 1.187 460 A CA 0.890 52.697 52.037 -0.382 0.000 0.614 460 A CB -0.700 18.256 19.000 -0.075 0.000 0.826 460 A HN 0.390 nan 8.150 nan 0.000 0.442 461 A N 0.964 123.729 122.820 -0.091 0.000 2.483 461 A HA 0.468 4.787 4.320 -0.001 0.000 0.238 461 A C -2.131 175.436 177.584 -0.029 0.000 1.070 461 A CA -0.799 51.210 52.037 -0.047 0.000 0.770 461 A CB -0.332 18.716 19.000 0.081 0.000 1.008 461 A HN 0.377 nan 8.150 nan 0.000 0.497 462 P HA 0.095 nan 4.420 nan 0.000 0.278 462 P C -0.214 177.053 177.300 -0.055 0.000 1.238 462 P CA -0.233 62.838 63.100 -0.049 0.000 0.794 462 P CB 0.536 32.074 31.700 -0.271 0.000 0.955 463 N N 0.715 119.382 118.700 -0.054 0.000 2.721 463 N HA -0.177 4.562 4.740 -0.001 0.000 0.249 463 N C 1.182 176.669 175.510 -0.038 0.000 1.072 463 N CA 0.648 53.671 53.050 -0.045 0.000 0.710 463 N CB -1.319 37.142 38.487 -0.044 0.000 0.993 463 N HN 0.484 nan 8.380 nan 0.000 0.547 464 I N -2.782 117.763 120.570 -0.042 0.000 2.181 464 I HA -0.313 3.856 4.170 -0.001 0.000 0.247 464 I C 2.029 178.136 176.117 -0.016 0.000 1.081 464 I CA 1.939 63.215 61.300 -0.040 0.000 1.340 464 I CB -0.343 37.622 38.000 -0.058 0.000 1.036 464 I HN 0.031 nan 8.210 nan 0.000 0.417 465 D N 0.449 120.833 120.400 -0.027 0.000 2.144 465 D HA -0.212 4.427 4.640 -0.001 0.000 0.200 465 D C 2.238 178.537 176.300 -0.002 0.000 0.978 465 D CA 1.360 55.357 54.000 -0.006 0.000 0.833 465 D CB -0.025 40.760 40.800 -0.026 0.000 0.961 465 D HN 0.573 nan 8.370 nan 0.000 0.470 466 Q N -0.347 119.440 119.800 -0.022 0.000 2.020 466 Q HA -0.070 4.269 4.340 -0.001 0.000 0.198 466 Q C 1.265 177.190 176.000 -0.125 0.000 0.974 466 Q CA 1.390 57.178 55.803 -0.024 0.000 0.829 466 Q CB 0.199 28.942 28.738 0.008 0.000 0.894 466 Q HN 0.150 nan 8.270 nan 0.000 0.433 467 E N -2.067 118.060 120.200 -0.122 0.000 2.571 467 E HA 0.098 4.448 4.350 -0.001 0.000 0.222 467 E C 1.104 177.613 176.600 -0.151 0.000 0.904 467 E CA 0.342 56.619 56.400 -0.206 0.000 1.157 467 E CB 1.071 30.775 29.700 0.006 0.000 1.158 467 E HN 0.206 nan 8.360 nan 0.000 0.540 468 T N -0.161 114.348 114.554 -0.075 0.000 2.953 468 T HA -0.061 4.288 4.350 -0.001 0.000 0.247 468 T C 1.354 176.048 174.700 -0.009 0.000 1.029 468 T CA 0.479 62.561 62.100 -0.030 0.000 1.144 468 T CB -0.244 68.585 68.868 -0.066 0.000 0.870 468 T HN 0.159 nan 8.240 nan 0.000 0.446 469 Y N 3.922 124.134 120.300 -0.145 0.000 2.114 469 Y HA -0.034 4.515 4.550 -0.001 0.000 0.284 469 Y C -0.803 175.073 175.900 -0.040 0.000 1.143 469 Y CA 0.850 58.886 58.100 -0.107 0.000 1.135 469 Y CB -1.219 37.184 38.460 -0.095 0.000 0.980 469 Y HN 0.135 nan 8.280 nan 0.000 0.499 470 P HA -0.093 nan 4.420 nan 0.000 0.218 470 P C 1.663 178.869 177.300 -0.157 0.000 1.149 470 P CA 2.160 65.091 63.100 -0.281 0.000 0.817 470 P CB -0.379 31.134 31.700 -0.312 0.000 0.785 471 G N -1.235 107.501 108.800 -0.107 0.000 2.422 471 G HA2 -0.243 3.717 3.960 -0.001 0.000 0.218 471 G HA3 -0.243 3.717 3.960 -0.001 0.000 0.218 471 G C 1.273 176.183 174.900 0.017 0.000 1.140 471 G CA 0.393 45.495 45.100 0.003 0.000 0.775 471 G HN 0.186 nan 8.290 nan 0.000 0.545 472 Y N 0.423 120.622 120.300 -0.169 0.000 2.420 472 Y HA 0.186 4.735 4.550 -0.001 0.000 0.292 472 Y C 2.498 178.310 175.900 -0.147 0.000 1.119 472 Y CA 0.483 58.509 58.100 -0.124 0.000 1.229 472 Y CB 0.379 38.807 38.460 -0.053 0.000 1.026 472 Y HN -0.001 nan 8.280 nan 0.000 0.554 473 R N -0.025 120.414 120.500 -0.102 0.000 2.334 473 R HA 0.052 4.391 4.340 -0.001 0.000 0.216 473 R C -0.132 176.106 176.300 -0.104 0.000 0.905 473 R CA -0.141 55.862 56.100 -0.162 0.000 1.064 473 R CB -1.061 29.012 30.300 -0.380 0.000 1.046 473 R HN 0.339 nan 8.270 nan 0.000 0.508 474 N N 3.345 122.005 118.700 -0.066 0.000 2.429 474 N HA -0.019 4.720 4.740 -0.001 0.000 0.271 474 N C -1.689 173.809 175.510 -0.020 0.000 1.272 474 N CA -1.218 51.816 53.050 -0.027 0.000 0.921 474 N CB 1.102 39.590 38.487 0.003 0.000 1.128 474 N HN -0.117 nan 8.380 nan 0.000 0.481 475 P HA -0.119 nan 4.420 nan 0.000 0.226 475 P C 0.346 177.648 177.300 0.003 0.000 1.146 475 P CA 1.006 64.088 63.100 -0.031 0.000 0.773 475 P CB 0.287 31.952 31.700 -0.057 0.000 0.772 476 E N -0.443 119.767 120.200 0.015 0.000 2.489 476 E HA 0.097 4.447 4.350 -0.001 0.000 0.193 476 E C 0.006 176.647 176.600 0.068 0.000 1.057 476 E CA 0.072 56.492 56.400 0.035 0.000 0.866 476 E CB -0.588 29.125 29.700 0.023 0.000 0.916 476 E HN 0.480 nan 8.360 nan 0.000 0.500 477 N N -0.325 118.417 118.700 0.069 0.000 2.370 477 N HA 0.334 5.073 4.740 -0.001 0.000 0.303 477 N C -1.233 174.386 175.510 0.181 0.000 1.103 477 N CA -0.626 52.480 53.050 0.093 0.000 0.848 477 N CB 1.440 39.924 38.487 -0.004 0.000 1.235 477 N HN -0.138 nan 8.380 nan 0.000 0.496 478 F N 2.262 122.214 119.950 0.003 0.000 2.467 478 F HA 0.604 5.130 4.527 -0.001 0.000 0.336 478 F C -1.305 174.400 175.800 -0.159 0.000 1.123 478 F CA -0.745 57.237 58.000 -0.029 0.000 0.964 478 F CB 0.730 39.728 39.000 -0.004 0.000 1.136 478 F HN 0.311 nan 8.300 nan 0.000 0.447 479 I N 6.604 126.789 120.570 -0.641 0.000 2.418 479 I HA 0.418 4.587 4.170 -0.001 0.000 0.287 479 I C -1.098 174.660 176.117 -0.599 0.000 1.008 479 I CA -0.726 60.274 61.300 -0.501 0.000 1.104 479 I CB 1.899 39.731 38.000 -0.280 0.000 1.264 479 I HN 0.275 nan 8.210 nan 0.000 0.438 480 V N 6.838 126.455 119.914 -0.495 0.000 2.547 480 V HA 0.543 4.662 4.120 -0.001 0.000 0.299 480 V C -0.280 175.839 176.094 0.042 0.000 1.040 480 V CA -0.764 61.324 62.300 -0.353 0.000 0.913 480 V CB 1.959 33.388 31.823 -0.656 0.000 0.992 480 V HN 0.379 nan 8.190 nan 0.000 0.449 481 V N 3.119 123.107 119.914 0.123 0.000 2.447 481 V HA 0.343 4.462 4.120 -0.001 0.000 0.292 481 V C -0.065 176.190 176.094 0.268 0.000 1.021 481 V CA -0.281 62.163 62.300 0.240 0.000 0.850 481 V CB 2.001 33.941 31.823 0.194 0.000 1.005 481 V HN 0.927 nan 8.190 nan 0.000 0.426 482 S N 4.372 120.303 115.700 0.384 0.000 2.513 482 S HA 0.612 5.082 4.470 -0.001 0.000 0.276 482 S C -0.440 174.293 174.600 0.222 0.000 1.254 482 S CA -0.335 58.081 58.200 0.361 0.000 1.053 482 S CB 1.079 64.552 63.200 0.455 0.000 0.958 482 S HN 0.857 nan 8.310 nan 0.000 0.491 483 D N 0.095 120.599 120.400 0.174 0.000 2.768 483 D HA 0.525 5.164 4.640 -0.001 0.000 0.327 483 D C -0.498 175.838 176.300 0.060 0.000 1.302 483 D CA -0.509 53.564 54.000 0.121 0.000 0.897 483 D CB 1.600 42.470 40.800 0.116 0.000 1.420 483 D HN 0.459 nan 8.370 nan 0.000 0.494 484 A N -0.061 122.750 122.820 -0.014 0.000 2.419 484 A HA 0.367 4.686 4.320 -0.001 0.000 0.233 484 A C -0.551 176.771 177.584 -0.437 0.000 1.217 484 A CA 0.218 52.122 52.037 -0.222 0.000 0.944 484 A CB 0.322 19.133 19.000 -0.315 0.000 1.025 484 A HN 0.397 nan 8.150 nan 0.000 0.524 485 Y N -2.300 118.024 120.300 0.039 0.000 2.597 485 Y HA 0.376 4.926 4.550 -0.001 0.000 0.340 485 Y C -1.946 173.959 175.900 0.007 0.000 1.097 485 Y CA -2.120 55.992 58.100 0.018 0.000 1.037 485 Y CB 1.411 39.886 38.460 0.025 0.000 1.305 485 Y HN -0.080 nan 8.280 nan 0.000 0.463 486 P HA -0.240 nan 4.420 nan 0.000 0.216 486 P C -0.447 176.895 177.300 0.069 0.000 0.860 486 P CA 2.736 65.876 63.100 0.067 0.000 1.042 486 P CB -0.173 31.556 31.700 0.048 0.000 0.716 487 T N -3.884 110.715 114.554 0.075 0.000 0.541 487 T HA -0.133 4.216 4.350 -0.001 0.000 0.774 487 T C 0.564 175.304 174.700 0.067 0.000 0.992 487 T CA 0.222 62.372 62.100 0.083 0.000 4.077 487 T CB -0.774 68.164 68.868 0.118 0.000 2.303 487 T HN 0.083 nan 8.240 nan 0.000 0.398 488 V N 3.295 123.247 119.914 0.064 0.000 2.427 488 V HA -0.146 3.974 4.120 -0.001 0.000 0.248 488 V C 2.391 178.532 176.094 0.079 0.000 1.051 488 V CA 2.841 65.175 62.300 0.057 0.000 1.048 488 V CB -0.637 31.205 31.823 0.031 0.000 0.666 488 V HN 1.141 nan 8.190 nan 0.000 0.456 489 T N 0.385 114.991 114.554 0.087 0.000 2.699 489 T HA -0.140 4.209 4.350 -0.001 0.000 0.268 489 T C 1.710 176.510 174.700 0.167 0.000 1.036 489 T CA 1.671 63.836 62.100 0.107 0.000 1.147 489 T CB -0.848 68.109 68.868 0.148 0.000 0.862 489 T HN 0.677 nan 8.240 nan 0.000 0.446 490 G N 0.848 109.727 108.800 0.132 0.000 2.408 490 G HA2 -0.196 3.763 3.960 -0.001 0.000 0.217 490 G HA3 -0.196 3.763 3.960 -0.001 0.000 0.217 490 G C 1.579 176.549 174.900 0.117 0.000 1.150 490 G CA 0.408 45.567 45.100 0.099 0.000 0.776 490 G HN 0.383 nan 8.290 nan 0.000 0.542 491 R N 0.515 121.084 120.500 0.114 0.000 2.120 491 R HA 0.008 4.348 4.340 -0.001 0.000 0.234 491 R C 2.333 178.810 176.300 0.294 0.000 1.123 491 R CA 1.168 57.382 56.100 0.191 0.000 0.975 491 R CB -0.213 30.166 30.300 0.132 0.000 0.866 491 R HN 0.308 nan 8.270 nan 0.000 0.446 492 A N -0.377 122.591 122.820 0.247 0.000 2.327 492 A HA 0.404 4.723 4.320 -0.001 0.000 0.228 492 A C 0.395 178.164 177.584 0.308 0.000 1.275 492 A CA 0.363 52.564 52.037 0.274 0.000 0.875 492 A CB -0.027 19.121 19.000 0.246 0.000 0.925 492 A HN 0.402 nan 8.150 nan 0.000 0.493 493 A N -0.825 122.187 122.820 0.321 0.000 2.637 493 A HA 0.653 4.973 4.320 -0.001 0.000 0.258 493 A C 0.260 177.965 177.584 0.202 0.000 1.250 493 A CA -0.065 52.120 52.037 0.246 0.000 0.931 493 A CB 0.637 19.757 19.000 0.201 0.000 1.488 493 A HN 0.138 nan 8.150 nan 0.000 0.464 494 D N -1.764 118.635 120.400 -0.002 0.000 2.482 494 D HA 0.197 4.836 4.640 -0.001 0.000 0.251 494 D C -0.648 175.631 176.300 -0.035 0.000 1.073 494 D CA 0.478 54.435 54.000 -0.072 0.000 0.892 494 D CB 0.681 41.325 40.800 -0.260 0.000 1.202 494 D HN 0.190 nan 8.370 nan 0.000 0.496 495 L N 1.431 122.546 121.223 -0.180 0.000 2.409 495 L HA 0.448 4.788 4.340 -0.001 0.000 0.272 495 L C -1.562 175.288 176.870 -0.034 0.000 0.980 495 L CA -0.819 53.969 54.840 -0.087 0.000 0.826 495 L CB 2.291 44.199 42.059 -0.252 0.000 1.268 495 L HN -0.331 nan 8.230 nan 0.000 0.407 496 V N 6.534 126.451 119.914 0.006 0.000 2.376 496 V HA 0.467 4.586 4.120 -0.001 0.000 0.287 496 V C -0.263 175.797 176.094 -0.057 0.000 1.015 496 V CA -0.435 61.845 62.300 -0.033 0.000 0.834 496 V CB 1.596 33.332 31.823 -0.146 0.000 1.001 496 V HN 0.617 nan 8.190 nan 0.000 0.428 497 L N 8.250 129.501 121.223 0.046 0.000 2.275 497 L HA 0.515 4.854 4.340 -0.001 0.000 0.288 497 L C -2.184 174.787 176.870 0.167 0.000 1.046 497 L CA -1.815 53.066 54.840 0.067 0.000 0.805 497 L CB 1.906 44.177 42.059 0.354 0.000 1.193 497 L HN 0.383 nan 8.230 nan 0.000 0.426 498 P HA 0.173 nan 4.420 nan 0.000 0.276 498 P C -1.023 176.454 177.300 0.295 0.000 1.235 498 P CA -0.177 63.004 63.100 0.134 0.000 0.772 498 P CB 1.536 33.260 31.700 0.040 0.000 0.871 499 A N 3.303 126.236 122.820 0.188 0.000 2.355 499 A HA 0.697 5.016 4.320 -0.001 0.000 0.324 499 A C -0.137 177.510 177.584 0.105 0.000 1.117 499 A CA -0.842 51.319 52.037 0.207 0.000 0.785 499 A CB 1.228 20.356 19.000 0.213 0.000 1.254 499 A HN 0.566 nan 8.150 nan 0.000 0.453 500 A N 2.407 125.296 122.820 0.115 0.000 2.366 500 A HA 0.589 4.909 4.320 -0.001 0.000 0.272 500 A C 0.159 177.798 177.584 0.091 0.000 1.135 500 A CA -0.149 51.904 52.037 0.028 0.000 0.804 500 A CB 0.141 19.108 19.000 -0.053 0.000 1.064 500 A HN 1.012 nan 8.150 nan 0.000 0.499 501 M N 2.488 122.120 119.600 0.053 0.000 2.706 501 M HA 0.338 4.817 4.480 -0.001 0.000 0.304 501 M C 0.720 177.142 176.300 0.204 0.000 1.217 501 M CA -0.464 54.900 55.300 0.106 0.000 0.922 501 M CB 0.754 33.356 32.600 0.004 0.000 1.637 501 M HN 1.016 nan 8.290 nan 0.000 0.492 502 W N 1.748 123.049 121.300 0.003 0.000 2.413 502 W HA -0.376 4.284 4.660 -0.001 0.000 0.328 502 W C 0.856 177.433 176.519 0.095 0.000 1.476 502 W CA 2.823 60.134 57.345 -0.058 0.000 1.382 502 W CB -1.642 27.663 29.460 -0.258 0.000 0.910 502 W HN 0.418 nan 8.180 nan 0.000 0.509 503 V N 1.532 121.261 119.914 -0.308 0.000 3.646 503 V HA -0.038 4.081 4.120 -0.001 0.000 0.277 503 V C 1.451 177.496 176.094 -0.081 0.000 1.274 503 V CA 1.678 63.728 62.300 -0.417 0.000 1.164 503 V CB -0.489 30.747 31.823 -0.979 0.000 0.926 503 V HN 0.350 nan 8.190 nan 0.000 0.442 504 E N 0.956 121.155 120.200 -0.002 0.000 2.479 504 E HA 0.074 4.424 4.350 -0.001 0.000 0.193 504 E C 0.707 177.295 176.600 -0.021 0.000 1.049 504 E CA 0.053 56.428 56.400 -0.042 0.000 0.870 504 E CB 0.337 29.993 29.700 -0.075 0.000 0.944 504 E HN 0.527 nan 8.360 nan 0.000 0.492 505 K N 1.209 121.682 120.400 0.120 0.000 2.498 505 K HA 0.244 4.564 4.320 -0.001 0.000 0.254 505 K C -1.249 175.443 176.600 0.153 0.000 0.933 505 K CA -0.675 55.725 56.287 0.188 0.000 0.806 505 K CB 2.004 34.660 32.500 0.259 0.000 1.301 505 K HN -0.125 nan 8.250 nan 0.000 0.432 506 E N 1.796 122.044 120.200 0.081 0.000 2.344 506 E HA 0.388 4.737 4.350 -0.001 0.000 0.270 506 E C -0.534 175.912 176.600 -0.257 0.000 1.021 506 E CA -0.138 56.205 56.400 -0.096 0.000 0.887 506 E CB 0.693 30.434 29.700 0.068 0.000 0.997 506 E HN 0.770 nan 8.360 nan 0.000 0.429 507 G N 1.834 109.936 108.800 -1.162 0.000 2.721 507 G HA2 0.718 4.678 3.960 -0.001 0.000 0.296 507 G HA3 0.718 4.678 3.960 -0.001 0.000 0.296 507 G C -1.685 171.952 174.900 -2.104 0.000 1.383 507 G CA -0.297 43.868 45.100 -1.559 0.000 0.788 507 G HN 0.718 nan 8.290 nan 0.000 0.500 508 A N -1.017 120.597 122.820 -2.010 0.000 2.549 508 A HA 0.822 5.142 4.320 -0.001 0.000 0.297 508 A C -2.078 175.191 177.584 -0.525 0.000 1.061 508 A CA -0.536 50.756 52.037 -1.242 0.000 0.690 508 A CB 1.595 19.529 19.000 -1.776 0.000 1.287 508 A HN 0.789 nan 8.150 nan 0.000 0.402 509 Y N -0.430 119.908 120.300 0.063 0.000 2.638 509 Y HA 0.745 5.294 4.550 -0.001 0.000 0.339 509 Y C 0.580 176.531 175.900 0.086 0.000 1.084 509 Y CA -1.138 57.065 58.100 0.171 0.000 1.068 509 Y CB 2.579 41.282 38.460 0.404 0.000 1.294 509 Y HN 1.045 nan 8.280 nan 0.000 0.480 510 G N 2.165 111.105 108.800 0.234 0.000 2.760 510 G HA2 0.378 4.338 3.960 -0.001 0.000 0.285 510 G HA3 0.378 4.338 3.960 -0.001 0.000 0.285 510 G C -0.984 173.972 174.900 0.093 0.000 1.496 510 G CA -0.850 44.304 45.100 0.090 0.000 1.026 510 G HN 0.583 nan 8.290 nan 0.000 0.536 511 N N 1.260 119.974 118.700 0.024 0.000 2.347 511 N HA 0.375 5.115 4.740 -0.001 0.000 0.253 511 N C 1.541 177.123 175.510 0.120 0.000 1.274 511 N CA 0.007 53.136 53.050 0.131 0.000 0.941 511 N CB 1.110 39.724 38.487 0.212 0.000 1.200 511 N HN 0.364 nan 8.380 nan 0.000 0.514 512 A N -0.392 122.572 122.820 0.241 0.000 2.139 512 A HA -0.217 4.102 4.320 -0.001 0.000 0.221 512 A C 1.214 178.876 177.584 0.132 0.000 1.159 512 A CA 1.778 53.955 52.037 0.234 0.000 0.662 512 A CB -0.973 18.294 19.000 0.444 0.000 0.796 512 A HN 0.883 nan 8.150 nan 0.000 0.463 513 E N -1.348 118.831 120.200 -0.035 0.000 2.499 513 E HA 0.397 4.746 4.350 -0.001 0.000 0.207 513 E C 0.213 176.642 176.600 -0.285 0.000 1.034 513 E CA -0.667 55.620 56.400 -0.188 0.000 1.098 513 E CB -0.182 29.055 29.700 -0.772 0.000 1.148 513 E HN 0.391 nan 8.360 nan 0.000 0.447 514 R N 0.293 120.617 120.500 -0.295 0.000 3.656 514 R HA -0.188 4.151 4.340 -0.001 0.000 0.297 514 R C -0.282 175.871 176.300 -0.245 0.000 1.166 514 R CA 0.785 56.593 56.100 -0.487 0.000 0.799 514 R CB -1.818 27.816 30.300 -1.111 0.000 1.285 514 R HN 0.355 nan 8.270 nan 0.000 0.477 515 R N 0.960 121.351 120.500 -0.181 0.000 2.229 515 R HA 0.223 4.563 4.340 -0.001 0.000 0.328 515 R C -0.826 175.297 176.300 -0.295 0.000 1.009 515 R CA -0.096 55.870 56.100 -0.224 0.000 0.864 515 R CB 1.112 31.218 30.300 -0.323 0.000 1.085 515 R HN -0.050 nan 8.270 nan 0.000 0.453 516 T N 5.873 120.340 114.554 -0.144 0.000 2.770 516 T HA 0.277 4.626 4.350 -0.001 0.000 0.297 516 T C -1.211 173.354 174.700 -0.225 0.000 0.997 516 T CA -0.639 61.346 62.100 -0.193 0.000 0.949 516 T CB 0.260 69.035 68.868 -0.156 0.000 0.941 516 T HN 0.653 nan 8.240 nan 0.000 0.457 517 H N 1.271 120.385 119.070 0.074 0.000 2.622 517 H HA 0.758 5.313 4.556 -0.001 0.000 0.363 517 H C -1.016 174.481 175.328 0.281 0.000 1.151 517 H CA -1.601 54.522 56.048 0.126 0.000 1.184 517 H CB 0.379 30.232 29.762 0.151 0.000 1.643 517 H HN 0.231 nan 8.280 nan 0.000 0.531 518 F N 0.471 120.406 119.950 -0.025 0.000 2.452 518 F HA 0.604 5.130 4.527 -0.001 0.000 0.353 518 F C -0.449 175.422 175.800 0.120 0.000 1.089 518 F CA -1.444 56.425 58.000 -0.218 0.000 1.080 518 F CB 1.006 39.597 39.000 -0.681 0.000 1.399 518 F HN 0.869 nan 8.300 nan 0.000 0.492 519 W N -0.256 121.069 121.300 0.041 0.000 3.901 519 W HA 0.413 5.072 4.660 -0.001 0.000 0.274 519 W C -1.751 174.757 176.519 -0.017 0.000 1.278 519 W CA -0.786 56.536 57.345 -0.037 0.000 1.235 519 W CB 0.033 29.404 29.460 -0.150 0.000 1.261 519 W HN 0.354 nan 8.180 nan 0.000 0.546 520 H N 1.681 120.825 119.070 0.124 0.000 2.509 520 H HA 0.228 4.783 4.556 -0.001 0.000 0.360 520 H C -0.471 174.878 175.328 0.035 0.000 1.398 520 H CA -0.220 55.769 56.048 -0.098 0.000 1.429 520 H CB 1.325 30.721 29.762 -0.610 0.000 1.611 520 H HN 0.645 nan 8.280 nan 0.000 0.606 521 Q N 1.245 121.157 119.800 0.185 0.000 2.294 521 Q HA 0.089 4.428 4.340 -0.001 0.000 0.257 521 Q C -0.244 175.833 176.000 0.128 0.000 0.955 521 Q CA -0.576 55.309 55.803 0.136 0.000 0.936 521 Q CB 0.531 29.330 28.738 0.102 0.000 1.188 521 Q HN 0.337 nan 8.270 nan 0.000 0.420 522 L N 4.466 125.725 121.223 0.061 0.000 2.556 522 L HA 0.191 4.530 4.340 -0.001 0.000 0.226 522 L C 0.293 177.155 176.870 -0.013 0.000 1.089 522 L CA 0.462 55.324 54.840 0.037 0.000 0.864 522 L CB 0.273 42.311 42.059 -0.035 0.000 1.067 522 L HN 0.553 nan 8.230 nan 0.000 0.477 523 V N -4.844 115.054 119.914 -0.027 0.000 3.232 523 V HA 0.544 4.663 4.120 -0.001 0.000 0.303 523 V C -0.753 175.310 176.094 -0.051 0.000 1.311 523 V CA -1.168 61.115 62.300 -0.029 0.000 1.061 523 V CB 2.212 34.035 31.823 -0.001 0.000 1.085 523 V HN 0.069 nan 8.190 nan 0.000 0.447 524 E N 1.301 121.469 120.200 -0.052 0.000 2.231 524 E HA 0.683 5.032 4.350 -0.001 0.000 0.277 524 E C 0.040 176.586 176.600 -0.091 0.000 0.999 524 E CA -0.452 55.891 56.400 -0.096 0.000 0.827 524 E CB 2.052 31.702 29.700 -0.083 0.000 1.101 524 E HN 1.119 nan 8.360 nan 0.000 0.393 525 A N 4.152 126.879 122.820 -0.155 0.000 2.425 525 A HA 0.284 4.603 4.320 -0.001 0.000 0.242 525 A C -1.920 175.621 177.584 -0.072 0.000 1.077 525 A CA -1.012 50.953 52.037 -0.121 0.000 0.781 525 A CB -0.323 18.578 19.000 -0.165 0.000 1.020 525 A HN 0.429 nan 8.150 nan 0.000 0.494 526 P HA 0.374 nan 4.420 nan 0.000 0.275 526 P C 0.910 178.200 177.300 -0.016 0.000 1.228 526 P CA 1.039 64.133 63.100 -0.010 0.000 0.786 526 P CB 0.807 32.515 31.700 0.013 0.000 0.927 527 G N 3.368 112.164 108.800 -0.008 0.000 2.651 527 G HA2 -0.293 3.667 3.960 -0.001 0.000 0.315 527 G HA3 -0.293 3.667 3.960 -0.001 0.000 0.315 527 G C 0.479 175.383 174.900 0.007 0.000 1.258 527 G CA 0.184 45.282 45.100 -0.003 0.000 1.002 527 G HN 0.579 nan 8.290 nan 0.000 0.551 528 E N 1.753 121.975 120.200 0.037 0.000 2.437 528 E HA 0.496 4.845 4.350 -0.001 0.000 0.195 528 E C 1.146 177.899 176.600 0.256 0.000 1.029 528 E CA 0.548 57.029 56.400 0.134 0.000 0.948 528 E CB 0.222 30.009 29.700 0.145 0.000 1.082 528 E HN 0.833 nan 8.360 nan 0.000 0.456 529 A N 1.692 124.584 122.820 0.121 0.000 2.371 529 A HA 0.459 4.778 4.320 -0.001 0.000 0.257 529 A C 0.330 177.939 177.584 0.042 0.000 1.089 529 A CA -0.142 51.993 52.037 0.165 0.000 0.794 529 A CB 0.578 19.616 19.000 0.063 0.000 1.029 529 A HN 0.011 nan 8.150 nan 0.000 0.488 530 R N 1.211 121.768 120.500 0.095 0.000 2.740 530 R HA 0.433 4.772 4.340 -0.001 0.000 0.273 530 R C -0.238 176.227 176.300 0.275 0.000 0.998 530 R CA -0.370 55.721 56.100 -0.014 0.000 0.900 530 R CB 1.461 31.294 30.300 -0.778 0.000 1.223 530 R HN 0.928 nan 8.270 nan 0.000 0.466 531 S N -0.099 115.897 115.700 0.492 0.000 2.560 531 S HA -0.056 4.413 4.470 -0.001 0.000 0.276 531 S C 0.407 175.234 174.600 0.377 0.000 1.350 531 S CA 0.054 58.484 58.200 0.383 0.000 1.024 531 S CB 0.456 63.875 63.200 0.364 0.000 0.864 531 S HN 0.550 nan 8.310 nan 0.000 0.536 532 D N 0.479 121.078 120.400 0.331 0.000 2.178 532 D HA -0.056 4.583 4.640 -0.001 0.000 0.201 532 D C 1.700 178.127 176.300 0.210 0.000 0.980 532 D CA 0.841 55.034 54.000 0.321 0.000 0.842 532 D CB -0.202 40.825 40.800 0.377 0.000 0.948 532 D HN 0.444 nan 8.370 nan 0.000 0.472 533 L N -0.342 120.978 121.223 0.162 0.000 1.989 533 L HA -0.122 4.218 4.340 -0.001 0.000 0.211 533 L C 1.919 178.846 176.870 0.094 0.000 1.071 533 L CA 1.670 56.540 54.840 0.049 0.000 0.749 533 L CB -0.653 41.449 42.059 0.072 0.000 0.890 533 L HN 0.281 nan 8.230 nan 0.000 0.431 534 W N 0.449 121.741 121.300 -0.013 0.000 2.333 534 W HA -0.274 4.385 4.660 -0.001 0.000 0.316 534 W C 2.581 179.186 176.519 0.142 0.000 1.215 534 W CA 2.275 59.626 57.345 0.010 0.000 1.278 534 W CB -0.389 28.959 29.460 -0.187 0.000 1.154 534 W HN 0.269 nan 8.180 nan 0.000 0.486 535 Q N -0.345 119.736 119.800 0.468 0.000 2.062 535 Q HA -0.295 4.044 4.340 -0.001 0.000 0.209 535 Q C 2.127 178.373 176.000 0.409 0.000 0.996 535 Q CA 2.089 58.188 55.803 0.494 0.000 0.859 535 Q CB -0.822 28.366 28.738 0.749 0.000 0.920 535 Q HN 0.281 nan 8.270 nan 0.000 0.415 536 L N 0.235 121.594 121.223 0.226 0.000 1.961 536 L HA -0.212 4.127 4.340 -0.001 0.000 0.210 536 L C 2.363 179.282 176.870 0.083 0.000 1.072 536 L CA 1.819 56.758 54.840 0.164 0.000 0.749 536 L CB -0.967 41.042 42.059 -0.083 0.000 0.889 536 L HN 0.342 nan 8.230 nan 0.000 0.432 537 M N -1.307 118.175 119.600 -0.196 0.000 2.089 537 M HA -0.276 4.203 4.480 -0.001 0.000 0.257 537 M C 2.182 178.466 176.300 -0.027 0.000 1.071 537 M CA 2.049 57.147 55.300 -0.337 0.000 1.096 537 M CB -0.871 31.378 32.600 -0.585 0.000 1.330 537 M HN 0.231 nan 8.290 nan 0.000 0.403 538 E N 0.696 120.739 120.200 -0.262 0.000 2.072 538 E HA -0.174 4.175 4.350 -0.001 0.000 0.191 538 E C 1.668 177.998 176.600 -0.450 0.000 0.985 538 E CA 1.161 57.293 56.400 -0.447 0.000 0.801 538 E CB -0.380 28.715 29.700 -1.008 0.000 0.750 538 E HN 0.400 nan 8.360 nan 0.000 0.452 539 F N 0.382 119.954 119.950 -0.630 0.000 2.408 539 F HA -0.058 4.469 4.527 -0.001 0.000 0.300 539 F C 2.033 177.810 175.800 -0.038 0.000 1.090 539 F CA 1.022 58.652 58.000 -0.615 0.000 1.427 539 F CB -0.393 38.525 39.000 -0.138 0.000 1.070 539 F HN -0.032 nan 8.300 nan 0.000 0.549 540 S N 0.355 116.046 115.700 -0.016 0.000 2.345 540 S HA -0.175 4.294 4.470 -0.001 0.000 0.220 540 S C 1.741 176.341 174.600 -0.000 0.000 1.031 540 S CA 1.147 59.375 58.200 0.046 0.000 0.996 540 S CB -0.226 63.200 63.200 0.376 0.000 0.882 540 S HN 0.362 nan 8.310 nan 0.000 0.445 541 K N 0.509 120.821 120.400 -0.146 0.000 2.587 541 K HA -0.112 4.207 4.320 -0.001 0.000 0.196 541 K C 1.745 178.212 176.600 -0.223 0.000 1.046 541 K CA 0.762 56.873 56.287 -0.293 0.000 0.930 541 K CB -0.063 32.137 32.500 -0.501 0.000 0.771 541 K HN 0.039 nan 8.250 nan 0.000 0.492 542 R N -0.623 119.741 120.500 -0.227 0.000 2.206 542 R HA 0.150 4.489 4.340 -0.001 0.000 0.198 542 R C -0.109 175.862 176.300 -0.549 0.000 0.986 542 R CA 0.460 56.305 56.100 -0.425 0.000 1.029 542 R CB 0.390 30.268 30.300 -0.702 0.000 0.966 542 R HN -0.038 nan 8.270 nan 0.000 0.487 543 F N -1.338 118.480 119.950 -0.220 0.000 2.440 543 F HA 0.470 4.997 4.527 -0.001 0.000 0.328 543 F C 0.650 176.338 175.800 -0.187 0.000 1.070 543 F CA -0.763 57.138 58.000 -0.165 0.000 1.011 543 F CB 1.553 40.501 39.000 -0.086 0.000 1.226 543 F HN -0.334 nan 8.300 nan 0.000 0.491 544 T N -0.511 114.035 114.554 -0.012 0.000 2.908 544 T HA 0.277 4.626 4.350 -0.001 0.000 0.290 544 T C 0.926 175.494 174.700 -0.220 0.000 1.034 544 T CA -0.397 61.630 62.100 -0.120 0.000 1.010 544 T CB 1.225 70.034 68.868 -0.098 0.000 1.068 544 T HN 0.760 nan 8.240 nan 0.000 0.481 545 T N 1.877 116.217 114.554 -0.356 0.000 2.869 545 T HA -0.120 4.229 4.350 -0.001 0.000 0.270 545 T C 0.965 175.528 174.700 -0.228 0.000 1.082 545 T CA 1.218 62.972 62.100 -0.577 0.000 1.123 545 T CB -0.278 68.278 68.868 -0.522 0.000 0.856 545 T HN 0.606 nan 8.240 nan 0.000 0.499 546 D N 1.402 121.741 120.400 -0.101 0.000 1.825 546 D HA 0.024 4.664 4.640 -0.001 0.000 0.312 546 D C 1.708 178.012 176.300 0.007 0.000 1.066 546 D CA 0.312 54.306 54.000 -0.009 0.000 0.826 546 D CB -0.725 40.066 40.800 -0.014 0.000 1.144 546 D HN 0.312 nan 8.370 nan 0.000 0.392 547 E N -1.019 119.188 120.200 0.013 0.000 2.980 547 E HA -0.320 4.029 4.350 -0.001 0.000 0.225 547 E C 1.751 178.408 176.600 0.095 0.000 0.998 547 E CA 3.095 59.521 56.400 0.043 0.000 1.773 547 E CB -0.406 29.319 29.700 0.041 0.000 1.664 547 E HN 0.229 nan 8.360 nan 0.000 0.401 548 V N -2.240 117.741 119.914 0.111 0.000 3.085 548 V HA 0.061 4.180 4.120 -0.001 0.000 0.245 548 V C 0.715 177.018 176.094 0.348 0.000 1.114 548 V CA 0.388 62.809 62.300 0.201 0.000 1.108 548 V CB -0.189 31.769 31.823 0.225 0.000 0.798 548 V HN 0.184 nan 8.190 nan 0.000 0.471 549 W N 1.939 123.264 121.300 0.042 0.000 2.237 549 W HA 0.490 5.149 4.660 -0.001 0.000 0.335 549 W C -2.243 174.293 176.519 0.028 0.000 1.230 549 W CA -2.986 54.371 57.345 0.021 0.000 1.253 549 W CB -0.645 28.807 29.460 -0.014 0.000 1.129 549 W HN 0.003 nan 8.180 nan 0.000 0.590 550 P HA 0.014 nan 4.420 nan 0.000 0.271 550 P C 0.484 177.865 177.300 0.136 0.000 1.216 550 P CA 0.257 63.435 63.100 0.129 0.000 0.776 550 P CB 0.876 32.615 31.700 0.066 0.000 0.881 551 E N 2.259 122.522 120.200 0.106 0.000 2.118 551 E HA -0.215 4.134 4.350 -0.001 0.000 0.195 551 E C 1.269 177.921 176.600 0.087 0.000 0.992 551 E CA 1.155 57.613 56.400 0.097 0.000 0.804 551 E CB -0.234 29.508 29.700 0.070 0.000 0.741 551 E HN 0.563 nan 8.360 nan 0.000 0.458 552 E N 1.169 121.409 120.200 0.066 0.000 2.033 552 E HA -0.206 4.143 4.350 -0.001 0.000 0.199 552 E C 2.312 178.950 176.600 0.063 0.000 1.011 552 E CA 1.296 57.728 56.400 0.053 0.000 0.815 552 E CB -0.352 29.369 29.700 0.035 0.000 0.755 552 E HN 0.282 nan 8.360 nan 0.000 0.451 553 I N 1.408 122.011 120.570 0.056 0.000 2.194 553 I HA -0.324 3.846 4.170 -0.001 0.000 0.246 553 I C 2.514 178.715 176.117 0.139 0.000 1.093 553 I CA 1.092 62.422 61.300 0.049 0.000 1.355 553 I CB -0.287 37.690 38.000 -0.038 0.000 1.046 553 I HN 0.125 nan 8.210 nan 0.000 0.413 554 L N 0.133 121.468 121.223 0.187 0.000 1.970 554 L HA -0.267 4.072 4.340 -0.001 0.000 0.212 554 L C 2.901 179.869 176.870 0.162 0.000 1.071 554 L CA 2.099 57.076 54.840 0.227 0.000 0.751 554 L CB -1.108 41.066 42.059 0.192 0.000 0.889 554 L HN 0.450 nan 8.230 nan 0.000 0.432 555 S N 0.642 116.409 115.700 0.111 0.000 2.390 555 S HA -0.355 4.114 4.470 -0.001 0.000 0.234 555 S C 2.133 176.782 174.600 0.081 0.000 1.063 555 S CA 1.787 60.035 58.200 0.080 0.000 1.108 555 S CB -0.726 62.510 63.200 0.060 0.000 0.975 555 S HN 0.420 nan 8.310 nan 0.000 0.442 556 A N 1.888 124.761 122.820 0.088 0.000 1.940 556 A HA 0.445 4.764 4.320 -0.001 0.000 0.219 556 A C 1.510 179.160 177.584 0.111 0.000 1.176 556 A CA 1.464 53.551 52.037 0.084 0.000 0.631 556 A CB -0.894 18.151 19.000 0.076 0.000 0.814 556 A HN 1.544 nan 8.150 nan 0.000 0.446 557 A N -1.102 121.823 122.820 0.176 0.000 2.605 557 A HA 0.596 4.915 4.320 -0.001 0.000 0.293 557 A C -1.557 176.122 177.584 0.159 0.000 1.216 557 A CA -1.194 50.956 52.037 0.188 0.000 0.742 557 A CB 0.763 19.978 19.000 0.359 0.000 1.170 557 A HN 0.084 nan 8.150 nan 0.000 0.443 558 P HA -0.226 nan 4.420 nan 0.000 0.215 558 P C 0.947 178.229 177.300 -0.030 0.000 1.163 558 P CA 2.029 65.142 63.100 0.023 0.000 0.894 558 P CB 0.068 31.764 31.700 -0.007 0.000 0.791 559 A N -0.590 122.136 122.820 -0.156 0.000 2.770 559 A HA 0.131 4.450 4.320 -0.001 0.000 0.292 559 A C -0.557 176.711 177.584 -0.528 0.000 1.604 559 A CA 0.299 52.158 52.037 -0.298 0.000 1.271 559 A CB -2.038 16.740 19.000 -0.369 0.000 1.075 559 A HN 0.375 nan 8.150 nan 0.000 0.573 560 Y N -0.068 120.233 120.300 0.001 0.000 3.641 560 Y HA 0.010 4.560 4.550 -0.001 0.000 0.181 560 Y C 0.138 176.010 175.900 -0.047 0.000 0.497 560 Y CA -0.591 57.495 58.100 -0.023 0.000 1.080 560 Y CB -0.487 38.094 38.460 0.201 0.000 1.097 560 Y HN 0.661 nan 8.280 nan 0.000 0.567 561 R N 0.677 121.204 120.500 0.045 0.000 2.569 561 R HA 0.556 4.895 4.340 -0.001 0.000 0.293 561 R C 0.478 176.760 176.300 -0.030 0.000 1.186 561 R CA 0.154 56.261 56.100 0.013 0.000 0.956 561 R CB 1.762 32.080 30.300 0.030 0.000 1.196 561 R HN 0.490 nan 8.270 nan 0.000 0.444 562 G N 2.430 111.196 108.800 -0.056 0.000 3.076 562 G HA2 -0.346 3.613 3.960 -0.001 0.000 0.256 562 G HA3 -0.346 3.613 3.960 -0.001 0.000 0.256 562 G C 0.313 175.156 174.900 -0.093 0.000 1.589 562 G CA 0.144 45.205 45.100 -0.066 0.000 1.044 562 G HN 0.513 nan 8.290 nan 0.000 0.563 563 K N -0.198 120.156 120.400 -0.077 0.000 11.179 563 K HA -0.342 3.978 4.320 -0.001 0.000 0.530 563 K C 1.111 177.658 176.600 -0.087 0.000 0.396 563 K CA 4.360 60.597 56.287 -0.083 0.000 1.922 563 K CB -2.319 30.121 32.500 -0.100 0.000 0.793 563 K HN 2.995 nan 8.250 nan 0.000 1.249 564 T N -2.175 112.296 114.554 -0.137 0.000 0.554 564 T HA -0.115 4.234 4.350 -0.001 0.000 0.772 564 T C -0.134 174.494 174.700 -0.121 0.000 0.992 564 T CA 0.426 62.456 62.100 -0.115 0.000 4.069 564 T CB -1.510 67.315 68.868 -0.072 0.000 2.299 564 T HN 0.329 nan 8.240 nan 0.000 0.397 565 L N 4.732 125.861 121.223 -0.157 0.000 2.742 565 L HA 0.429 4.768 4.340 -0.001 0.000 0.275 565 L C 1.195 178.037 176.870 -0.048 0.000 1.141 565 L CA 0.854 55.565 54.840 -0.214 0.000 0.987 565 L CB -0.713 41.191 42.059 -0.259 0.000 1.319 565 L HN 0.826 nan 8.230 nan 0.000 0.478 566 F N 0.172 119.933 119.950 -0.316 0.000 1.692 566 F HA -0.188 4.338 4.527 -0.001 0.000 0.287 566 F C 1.624 177.299 175.800 -0.209 0.000 1.241 566 F CA 0.326 58.204 58.000 -0.203 0.000 1.255 566 F CB -0.148 38.813 39.000 -0.064 0.000 2.008 566 F HN 0.346 nan 8.300 nan 0.000 0.119 567 E N 0.760 121.008 120.200 0.078 0.000 2.051 567 E HA -0.119 4.231 4.350 -0.001 0.000 0.192 567 E C 1.802 178.309 176.600 -0.155 0.000 0.991 567 E CA 1.804 58.189 56.400 -0.026 0.000 0.799 567 E CB -0.142 29.562 29.700 0.008 0.000 0.748 567 E HN 0.371 nan 8.360 nan 0.000 0.449 568 V N 1.261 121.077 119.914 -0.163 0.000 2.667 568 V HA -0.163 3.956 4.120 -0.001 0.000 0.252 568 V C 2.028 177.944 176.094 -0.297 0.000 1.065 568 V CA 1.233 63.449 62.300 -0.140 0.000 1.083 568 V CB -0.206 31.526 31.823 -0.151 0.000 0.692 568 V HN 0.232 nan 8.190 nan 0.000 0.468 569 L N -2.517 118.357 121.223 -0.581 0.000 2.500 569 L HA 0.248 4.588 4.340 -0.001 0.000 0.219 569 L C 1.640 177.776 176.870 -1.223 0.000 1.057 569 L CA 0.914 55.133 54.840 -1.034 0.000 0.854 569 L CB 0.094 41.214 42.059 -1.565 0.000 1.078 569 L HN 0.285 nan 8.230 nan 0.000 0.480 570 F N -1.096 118.496 119.950 -0.597 0.000 2.817 570 F HA 0.365 4.891 4.527 -0.001 0.000 0.333 570 F C 1.222 176.514 175.800 -0.846 0.000 1.085 570 F CA -0.147 57.428 58.000 -0.708 0.000 1.170 570 F CB 0.486 38.939 39.000 -0.910 0.000 1.066 570 F HN -0.131 nan 8.300 nan 0.000 0.564 571 A N -0.029 122.425 122.820 -0.609 0.000 2.911 571 A HA 0.324 4.644 4.320 -0.001 0.000 0.304 571 A C 0.789 178.179 177.584 -0.324 0.000 1.144 571 A CA -0.177 51.552 52.037 -0.514 0.000 0.988 571 A CB -0.586 18.246 19.000 -0.281 0.000 1.141 571 A HN 0.073 nan 8.150 nan 0.000 0.552 572 N N 0.697 119.215 118.700 -0.303 0.000 2.459 572 N HA 0.026 4.765 4.740 -0.001 0.000 0.181 572 N C 1.471 176.882 175.510 -0.165 0.000 1.046 572 N CA 1.485 54.424 53.050 -0.185 0.000 0.904 572 N CB 0.116 38.516 38.487 -0.145 0.000 0.964 572 N HN 0.869 nan 8.380 nan 0.000 0.444 573 G N -1.053 107.612 108.800 -0.225 0.000 2.157 573 G HA2 -0.286 3.674 3.960 -0.001 0.000 0.248 573 G HA3 -0.286 3.674 3.960 -0.001 0.000 0.248 573 G C 0.933 175.721 174.900 -0.186 0.000 0.979 573 G CA 0.910 45.893 45.100 -0.196 0.000 0.650 573 G HN 0.472 nan 8.290 nan 0.000 0.529 574 S N -1.606 113.989 115.700 -0.176 0.000 2.748 574 S HA 0.265 4.735 4.470 -0.001 0.000 0.241 574 S C 2.269 176.789 174.600 -0.133 0.000 1.064 574 S CA 1.567 59.691 58.200 -0.127 0.000 0.892 574 S CB 0.113 63.285 63.200 -0.046 0.000 0.810 574 S HN 0.575 nan 8.310 nan 0.000 0.555 575 V N 2.619 122.446 119.914 -0.144 0.000 2.871 575 V HA 0.022 4.141 4.120 -0.001 0.000 0.256 575 V C 1.299 177.262 176.094 -0.219 0.000 1.082 575 V CA 1.705 63.949 62.300 -0.094 0.000 1.105 575 V CB -0.603 31.183 31.823 -0.063 0.000 0.713 575 V HN 0.441 nan 8.190 nan 0.000 0.473 576 D N -0.218 119.908 120.400 -0.456 0.000 2.323 576 D HA -0.045 4.594 4.640 -0.001 0.000 0.209 576 D C 2.014 178.171 176.300 -0.238 0.000 0.973 576 D CA 0.230 53.903 54.000 -0.546 0.000 0.874 576 D CB -0.304 40.160 40.800 -0.560 0.000 0.930 576 D HN 0.260 nan 8.370 nan 0.000 0.521 577 R N -0.002 120.298 120.500 -0.333 0.000 2.224 577 R HA -0.216 4.124 4.340 -0.001 0.000 0.255 577 R C -0.139 175.813 176.300 -0.580 0.000 1.130 577 R CA 1.290 57.039 56.100 -0.585 0.000 0.957 577 R CB -0.313 29.304 30.300 -1.138 0.000 0.907 577 R HN 0.143 nan 8.270 nan 0.000 0.446 578 F N 1.578 121.548 119.950 0.034 0.000 2.408 578 F HA 0.409 4.936 4.527 -0.001 0.000 0.344 578 F C -1.681 174.220 175.800 0.167 0.000 1.112 578 F CA -3.047 55.006 58.000 0.090 0.000 1.096 578 F CB 1.078 40.118 39.000 0.066 0.000 1.129 578 F HN 0.068 nan 8.300 nan 0.000 0.486 579 P HA 0.060 nan 4.420 nan 0.000 0.272 579 P C 0.109 177.515 177.300 0.178 0.000 1.240 579 P CA -0.187 63.038 63.100 0.208 0.000 0.791 579 P CB 1.001 32.784 31.700 0.138 0.000 0.978 580 A N 0.915 123.799 122.820 0.107 0.000 2.225 580 A HA -0.062 4.257 4.320 -0.001 0.000 0.215 580 A C 1.643 179.192 177.584 -0.058 0.000 1.164 580 A CA 1.320 53.362 52.037 0.008 0.000 0.710 580 A CB -0.954 18.052 19.000 0.009 0.000 0.780 580 A HN 0.670 nan 8.150 nan 0.000 0.473 581 S N -1.051 114.649 115.700 -0.000 0.000 2.397 581 S HA 0.296 4.765 4.470 -0.001 0.000 0.261 581 S C 0.481 175.071 174.600 -0.018 0.000 1.187 581 S CA 0.544 58.736 58.200 -0.013 0.000 1.023 581 S CB 0.199 63.418 63.200 0.031 0.000 1.103 581 S HN 0.405 nan 8.310 nan 0.000 0.474 582 D N -1.383 119.041 120.400 0.040 0.000 2.955 582 D HA -0.124 4.515 4.640 -0.001 0.000 0.226 582 D C -0.361 175.944 176.300 0.008 0.000 1.178 582 D CA 1.026 55.091 54.000 0.109 0.000 0.808 582 D CB -1.274 39.675 40.800 0.249 0.000 1.099 582 D HN 0.295 nan 8.370 nan 0.000 0.421 583 V N 0.614 120.428 119.914 -0.166 0.000 2.771 583 V HA 0.195 4.314 4.120 -0.001 0.000 0.355 583 V C -0.088 175.913 176.094 -0.155 0.000 1.289 583 V CA -0.113 61.972 62.300 -0.358 0.000 1.231 583 V CB 0.152 31.538 31.823 -0.727 0.000 1.396 583 V HN 0.482 nan 8.190 nan 0.000 0.628 584 N N 1.742 120.419 118.700 -0.039 0.000 2.621 584 N HA -0.139 4.600 4.740 -0.001 0.000 0.291 584 N C -1.913 173.545 175.510 -0.086 0.000 1.580 584 N CA 0.773 53.792 53.050 -0.051 0.000 1.058 584 N CB 0.478 38.881 38.487 -0.140 0.000 0.975 584 N HN 0.245 nan 8.380 nan 0.000 0.477 585 P HA -0.172 nan 4.420 nan 0.000 0.217 585 P C -0.069 177.160 177.300 -0.118 0.000 1.162 585 P CA 1.532 64.586 63.100 -0.077 0.000 0.901 585 P CB 0.046 31.712 31.700 -0.057 0.000 0.793 586 D N -1.103 119.200 120.400 -0.162 0.000 2.377 586 D HA 0.057 4.696 4.640 -0.001 0.000 0.245 586 D C 0.070 176.184 176.300 -0.309 0.000 1.196 586 D CA 0.253 54.070 54.000 -0.305 0.000 0.962 586 D CB -0.127 40.389 40.800 -0.475 0.000 1.127 586 D HN 0.306 nan 8.370 nan 0.000 0.471 587 H N -1.766 117.182 119.070 -0.203 0.000 4.237 587 H HA -0.039 4.516 4.556 -0.001 0.000 0.290 587 H C -0.635 174.589 175.328 -0.173 0.000 0.689 587 H CA 0.510 56.425 56.048 -0.223 0.000 0.817 587 H CB -1.106 28.387 29.762 -0.449 0.000 1.217 587 H HN 0.614 nan 8.280 nan 0.000 0.320 588 A N 2.734 125.554 122.820 0.000 0.000 2.242 588 A HA 0.607 4.927 4.320 -0.001 0.000 0.304 588 A C 0.644 178.227 177.584 -0.002 0.000 1.100 588 A CA -0.237 51.783 52.037 -0.027 0.000 0.860 588 A CB 1.104 20.084 19.000 -0.033 0.000 1.168 588 A HN 0.644 nan 8.150 nan 0.000 0.503 589 N N -0.610 118.081 118.700 -0.015 0.000 2.732 589 N HA 0.040 4.780 4.740 -0.001 0.000 0.247 589 N C 0.514 176.030 175.510 0.010 0.000 1.305 589 N CA -0.313 52.745 53.050 0.012 0.000 0.762 589 N CB 0.418 38.864 38.487 -0.070 0.000 1.361 589 N HN 0.813 nan 8.380 nan 0.000 0.545 590 H N 1.918 120.917 119.070 -0.119 0.000 2.426 590 H HA -0.087 4.468 4.556 -0.001 0.000 0.298 590 H C 0.100 175.285 175.328 -0.237 0.000 1.107 590 H CA 1.596 57.534 56.048 -0.183 0.000 1.298 590 H CB 0.103 29.737 29.762 -0.213 0.000 1.377 590 H HN 0.481 nan 8.280 nan 0.000 0.519 591 E N 0.525 120.375 120.200 -0.583 0.000 2.511 591 E HA 0.191 4.540 4.350 -0.001 0.000 0.196 591 E C 1.806 178.210 176.600 -0.328 0.000 1.066 591 E CA 0.638 56.714 56.400 -0.540 0.000 0.871 591 E CB 0.245 29.725 29.700 -0.365 0.000 0.863 591 E HN 0.670 nan 8.360 nan 0.000 0.520 592 A N 0.364 123.050 122.820 -0.223 0.000 2.259 592 A HA 0.479 4.798 4.320 -0.001 0.000 0.213 592 A C 2.052 179.553 177.584 -0.138 0.000 1.209 592 A CA 0.496 52.444 52.037 -0.147 0.000 0.910 592 A CB 0.207 19.137 19.000 -0.118 0.000 0.946 592 A HN 0.243 nan 8.150 nan 0.000 0.497 593 A N 0.063 122.787 122.820 -0.160 0.000 1.898 593 A HA 0.372 4.691 4.320 -0.001 0.000 0.214 593 A C 0.940 178.442 177.584 -0.136 0.000 1.183 593 A CA 0.414 52.382 52.037 -0.116 0.000 0.622 593 A CB -0.368 18.572 19.000 -0.100 0.000 0.824 593 A HN 0.418 nan 8.150 nan 0.000 0.444 594 L N -0.353 120.710 121.223 -0.267 0.000 2.375 594 L HA 0.530 4.869 4.340 -0.001 0.000 0.271 594 L C -0.581 176.071 176.870 -0.364 0.000 1.107 594 L CA -0.660 53.984 54.840 -0.326 0.000 0.806 594 L CB 0.171 41.924 42.059 -0.510 0.000 1.146 594 L HN 0.337 nan 8.230 nan 0.000 0.447 595 F N -0.116 119.811 119.950 -0.039 0.000 2.183 595 F HA -0.143 4.384 4.527 -0.001 0.000 0.318 595 F C 1.006 176.739 175.800 -0.113 0.000 1.277 595 F CA 0.272 58.192 58.000 -0.133 0.000 0.914 595 F CB -1.214 37.452 39.000 -0.557 0.000 4.133 595 F HN 0.661 nan 8.300 nan 0.000 0.140 596 G N -0.328 108.625 108.800 0.255 0.000 3.126 596 G HA2 0.383 4.342 3.960 -0.001 0.000 0.224 596 G HA3 0.383 4.342 3.960 -0.001 0.000 0.224 596 G C 0.253 175.341 174.900 0.313 0.000 1.142 596 G CA 0.441 45.693 45.100 0.252 0.000 0.759 596 G HN 0.471 nan 8.290 nan 0.000 0.550 597 F N -1.166 118.885 119.950 0.169 0.000 2.433 597 F HA 0.709 5.235 4.527 -0.001 0.000 0.288 597 F C -0.248 175.684 175.800 0.220 0.000 0.996 597 F CA -3.183 54.911 58.000 0.156 0.000 1.104 597 F CB 0.056 39.116 39.000 0.100 0.000 1.946 597 F HN -0.129 nan 8.300 nan 0.000 0.583 598 Y N 2.105 122.545 120.300 0.233 0.000 2.609 598 Y HA 0.456 5.005 4.550 -0.001 0.000 0.350 598 Y C -2.510 173.391 175.900 0.001 0.000 1.050 598 Y CA -4.135 53.979 58.100 0.024 0.000 1.290 598 Y CB 0.434 38.906 38.460 0.020 0.000 1.094 598 Y HN 0.134 nan 8.280 nan 0.000 0.583 599 P HA -0.272 nan 4.420 nan 0.000 0.216 599 P C 1.545 178.618 177.300 -0.378 0.000 1.167 599 P CA 2.586 65.641 63.100 -0.075 0.000 0.914 599 P CB 0.328 31.947 31.700 -0.136 0.000 0.793 600 Q N 0.364 119.707 119.800 -0.761 0.000 2.045 600 Q HA -0.243 4.097 4.340 -0.001 0.000 0.206 600 Q C 2.157 177.494 176.000 -1.106 0.000 0.991 600 Q CA 1.766 56.706 55.803 -1.438 0.000 0.851 600 Q CB -1.252 26.363 28.738 -1.871 0.000 0.911 600 Q HN 0.313 nan 8.270 nan 0.000 0.418 601 K N 0.819 120.217 120.400 -1.670 0.000 2.009 601 K HA -0.139 4.181 4.320 -0.001 0.000 0.210 601 K C 2.297 178.496 176.600 -0.668 0.000 1.049 601 K CA 1.564 56.710 56.287 -1.901 0.000 0.929 601 K CB -0.585 30.493 32.500 -2.370 0.000 0.714 601 K HN 0.340 nan 8.250 nan 0.000 0.440 602 G N 1.153 109.819 108.800 -0.223 0.000 2.480 602 G HA2 -0.266 3.694 3.960 -0.001 0.000 0.216 602 G HA3 -0.266 3.694 3.960 -0.001 0.000 0.216 602 G C 1.454 176.462 174.900 0.179 0.000 1.200 602 G CA 1.124 46.345 45.100 0.201 0.000 0.782 602 G HN 0.207 nan 8.290 nan 0.000 0.554 603 L N -0.810 120.497 121.223 0.141 0.000 2.046 603 L HA 0.026 4.365 4.340 -0.001 0.000 0.208 603 L C 2.497 179.542 176.870 0.292 0.000 1.077 603 L CA 1.189 56.224 54.840 0.325 0.000 0.747 603 L CB -0.547 41.725 42.059 0.354 0.000 0.896 603 L HN 0.215 nan 8.230 nan 0.000 0.432 604 F N 0.675 120.732 119.950 0.177 0.000 2.046 604 F HA -0.241 4.285 4.527 -0.001 0.000 0.297 604 F C 2.644 178.595 175.800 0.251 0.000 1.123 604 F CA 1.763 59.961 58.000 0.330 0.000 1.199 604 F CB -0.222 39.126 39.000 0.580 0.000 0.972 604 F HN 0.042 nan 8.300 nan 0.000 0.474 605 E N 0.270 120.634 120.200 0.274 0.000 2.160 605 E HA -0.256 4.093 4.350 -0.001 0.000 0.195 605 E C 2.137 178.802 176.600 0.108 0.000 0.991 605 E CA 1.371 57.879 56.400 0.180 0.000 0.810 605 E CB -0.475 29.392 29.700 0.278 0.000 0.742 605 E HN 0.663 nan 8.360 nan 0.000 0.466 606 E N -0.016 120.286 120.200 0.169 0.000 2.006 606 E HA -0.211 4.139 4.350 -0.001 0.000 0.192 606 E C 2.174 178.871 176.600 0.163 0.000 0.993 606 E CA 0.806 57.332 56.400 0.210 0.000 0.808 606 E CB -0.371 29.549 29.700 0.368 0.000 0.764 606 E HN 0.221 nan 8.360 nan 0.000 0.449 607 Y N 1.138 121.318 120.300 -0.200 0.000 2.181 607 Y HA -0.294 4.255 4.550 -0.001 0.000 0.284 607 Y C 1.926 177.696 175.900 -0.216 0.000 1.179 607 Y CA 1.842 59.605 58.100 -0.562 0.000 1.179 607 Y CB -0.731 36.846 38.460 -1.470 0.000 0.973 607 Y HN 0.167 nan 8.280 nan 0.000 0.519 608 A N 0.704 123.209 122.820 -0.526 0.000 2.024 608 A HA -0.087 4.232 4.320 -0.001 0.000 0.220 608 A C 2.407 179.811 177.584 -0.300 0.000 1.164 608 A CA 1.700 53.402 52.037 -0.558 0.000 0.643 608 A CB -1.445 17.321 19.000 -0.390 0.000 0.806 608 A HN 0.699 nan 8.150 nan 0.000 0.451 609 A N -1.636 121.086 122.820 -0.163 0.000 2.172 609 A HA 0.118 4.438 4.320 -0.001 0.000 0.216 609 A C 1.739 179.202 177.584 -0.201 0.000 1.154 609 A CA 0.981 52.935 52.037 -0.138 0.000 0.701 609 A CB -0.693 18.220 19.000 -0.146 0.000 0.789 609 A HN 0.461 nan 8.150 nan 0.000 0.465 610 F N 0.246 120.021 119.950 -0.293 0.000 2.206 610 F HA 0.105 4.632 4.527 -0.001 0.000 0.298 610 F C 2.045 177.717 175.800 -0.213 0.000 1.090 610 F CA 0.812 58.637 58.000 -0.291 0.000 1.323 610 F CB -0.534 38.236 39.000 -0.384 0.000 1.028 610 F HN 0.284 nan 8.300 nan 0.000 0.492 611 G N -1.395 107.359 108.800 -0.076 0.000 2.695 611 G HA2 0.492 4.451 3.960 -0.001 0.000 0.213 611 G HA3 0.492 4.451 3.960 -0.001 0.000 0.213 611 G C -0.623 174.350 174.900 0.122 0.000 1.406 611 G CA -0.695 44.422 45.100 0.029 0.000 1.049 611 G HN 0.117 nan 8.290 nan 0.000 0.573 612 R N -1.153 119.402 120.500 0.093 0.000 1.955 612 R HA -0.098 4.242 4.340 -0.001 0.000 0.380 612 R C 0.635 176.967 176.300 0.053 0.000 1.164 612 R CA 0.589 56.735 56.100 0.078 0.000 0.888 612 R CB -1.582 28.739 30.300 0.035 0.000 2.758 612 R HN 2.316 nan 8.270 nan 0.000 0.488 613 G N 1.543 110.371 108.800 0.047 0.000 2.955 613 G HA2 -0.289 3.671 3.960 -0.001 0.000 0.230 613 G HA3 -0.289 3.671 3.960 -0.001 0.000 0.230 613 G C -0.798 174.067 174.900 -0.058 0.000 1.587 613 G CA 0.008 45.030 45.100 -0.130 0.000 1.216 613 G HN 0.821 nan 8.290 nan 0.000 0.527 614 H N 2.750 121.872 119.070 0.087 0.000 3.327 614 H HA 0.384 4.940 4.556 -0.001 0.000 0.229 614 H C 1.740 177.004 175.328 -0.107 0.000 0.895 614 H CA 1.165 57.232 56.048 0.031 0.000 1.380 614 H CB -0.753 29.051 29.762 0.070 0.000 1.545 614 H HN 1.919 nan 8.280 nan 0.000 0.509 615 G N 2.871 111.370 108.800 -0.502 0.000 2.596 615 G HA2 -0.481 3.479 3.960 -0.001 0.000 0.421 615 G HA3 -0.481 3.479 3.960 -0.001 0.000 0.421 615 G C 0.460 175.142 174.900 -0.362 0.000 1.364 615 G CA 0.610 45.246 45.100 -0.772 0.000 0.954 615 G HN 1.035 nan 8.290 nan 0.000 0.524 616 H N -0.031 118.941 119.070 -0.163 0.000 2.814 616 H HA -0.176 4.380 4.556 -0.001 0.000 0.313 616 H C 0.527 175.681 175.328 -0.290 0.000 1.027 616 H CA 1.402 57.158 56.048 -0.485 0.000 1.180 616 H CB -1.856 27.573 29.762 -0.554 0.000 1.366 616 H HN 0.634 nan 8.280 nan 0.000 0.364 617 D N 1.080 121.504 120.400 0.040 0.000 2.479 617 D HA 0.148 4.788 4.640 -0.001 0.000 0.257 617 D C 0.718 177.108 176.300 0.150 0.000 1.230 617 D CA 0.312 54.374 54.000 0.104 0.000 0.912 617 D CB 0.468 41.380 40.800 0.188 0.000 1.130 617 D HN 0.239 nan 8.370 nan 0.000 0.515 618 L N 2.047 123.326 121.223 0.093 0.000 2.360 618 L HA 0.567 4.906 4.340 -0.001 0.000 0.271 618 L C 0.876 177.933 176.870 0.313 0.000 1.057 618 L CA -1.058 53.942 54.840 0.267 0.000 0.803 618 L CB 1.234 43.391 42.059 0.162 0.000 1.207 618 L HN 0.392 nan 8.230 nan 0.000 0.445 619 A N 3.432 126.493 122.820 0.402 0.000 2.280 619 A HA 0.534 4.853 4.320 -0.001 0.000 0.268 619 A C -2.359 175.339 177.584 0.190 0.000 1.111 619 A CA -1.202 50.865 52.037 0.050 0.000 0.814 619 A CB -0.498 18.216 19.000 -0.477 0.000 1.093 619 A HN 0.444 nan 8.150 nan 0.000 0.498 620 P HA 0.105 nan 4.420 nan 0.000 0.268 620 P C 0.555 178.015 177.300 0.266 0.000 1.205 620 P CA -0.119 63.096 63.100 0.192 0.000 0.771 620 P CB 0.218 31.976 31.700 0.096 0.000 0.858 621 F N 3.732 123.887 119.950 0.342 0.000 2.032 621 F HA -0.364 4.163 4.527 -0.001 0.000 0.297 621 F C 1.722 177.542 175.800 0.032 0.000 1.125 621 F CA 2.062 60.235 58.000 0.288 0.000 1.202 621 F CB -0.535 38.608 39.000 0.239 0.000 0.958 621 F HN 0.279 nan 8.300 nan 0.000 0.491 622 D N -0.238 120.369 120.400 0.345 0.000 2.172 622 D HA -0.200 4.439 4.640 -0.001 0.000 0.196 622 D C 2.277 178.527 176.300 -0.084 0.000 0.999 622 D CA 2.059 56.168 54.000 0.182 0.000 0.856 622 D CB -0.796 40.150 40.800 0.244 0.000 0.934 622 D HN 0.388 nan 8.370 nan 0.000 0.453 623 T N 0.076 114.528 114.554 -0.170 0.000 2.665 623 T HA -0.205 4.144 4.350 -0.001 0.000 0.268 623 T C 1.746 176.180 174.700 -0.443 0.000 1.035 623 T CA 0.977 62.906 62.100 -0.285 0.000 1.151 623 T CB -0.569 68.083 68.868 -0.360 0.000 0.862 623 T HN 0.312 nan 8.240 nan 0.000 0.438 624 Y N 0.211 120.118 120.300 -0.656 0.000 2.465 624 Y HA -0.155 4.394 4.550 -0.001 0.000 0.289 624 Y C 2.325 177.722 175.900 -0.839 0.000 1.150 624 Y CA 1.127 58.616 58.100 -1.018 0.000 1.293 624 Y CB -0.344 36.791 38.460 -2.209 0.000 0.977 624 Y HN 0.497 nan 8.280 nan 0.000 0.556 625 H N -1.460 117.341 119.070 -0.448 0.000 2.525 625 H HA -0.023 4.532 4.556 -0.001 0.000 0.275 625 H C 1.765 177.037 175.328 -0.093 0.000 0.984 625 H CA 0.369 56.277 56.048 -0.232 0.000 1.264 625 H CB 0.462 30.123 29.762 -0.169 0.000 1.432 625 H HN 0.159 nan 8.280 nan 0.000 0.549 626 E N 0.463 120.678 120.200 0.024 0.000 2.385 626 E HA 0.044 4.393 4.350 -0.001 0.000 0.194 626 E C -0.044 176.562 176.600 0.008 0.000 1.013 626 E CA 0.212 56.632 56.400 0.033 0.000 0.866 626 E CB 0.788 30.498 29.700 0.016 0.000 0.832 626 E HN 0.138 nan 8.360 nan 0.000 0.500 627 V N 0.423 120.320 119.914 -0.029 0.000 3.046 627 V HA 0.354 4.473 4.120 -0.001 0.000 0.316 627 V C 0.041 176.149 176.094 0.024 0.000 1.104 627 V CA -0.914 61.377 62.300 -0.015 0.000 1.006 627 V CB 1.931 33.721 31.823 -0.055 0.000 1.058 627 V HN -0.138 nan 8.190 nan 0.000 0.440 628 R N 2.116 122.642 120.500 0.042 0.000 4.071 628 R HA 0.559 4.898 4.340 -0.001 0.000 0.220 628 R C 0.557 176.923 176.300 0.109 0.000 1.614 628 R CA 0.688 56.836 56.100 0.079 0.000 1.505 628 R CB 0.089 30.425 30.300 0.061 0.000 1.384 628 R HN 1.238 nan 8.270 nan 0.000 0.758 629 G N 0.459 109.343 108.800 0.141 0.000 2.819 629 G HA2 -0.225 3.734 3.960 -0.001 0.000 0.682 629 G HA3 -0.225 3.734 3.960 -0.001 0.000 0.682 629 G C -1.000 173.941 174.900 0.068 0.000 1.481 629 G CA -0.953 44.240 45.100 0.154 0.000 0.904 629 G HN 0.334 nan 8.290 nan 0.000 0.563 630 L N 1.048 122.349 121.223 0.129 0.000 2.505 630 L HA 0.402 4.741 4.340 -0.001 0.000 0.266 630 L C -0.424 176.535 176.870 0.149 0.000 0.954 630 L CA -1.312 53.593 54.840 0.110 0.000 0.852 630 L CB 2.392 44.529 42.059 0.130 0.000 1.282 630 L HN 0.807 nan 8.230 nan 0.000 0.403 631 H N 1.184 120.238 119.070 -0.026 0.000 2.722 631 H HA 0.166 4.721 4.556 -0.001 0.000 0.328 631 H C -0.585 174.713 175.328 -0.050 0.000 1.067 631 H CA -0.731 55.234 56.048 -0.138 0.000 1.447 631 H CB 0.311 29.893 29.762 -0.299 0.000 1.469 631 H HN 0.540 nan 8.280 nan 0.000 0.544 632 W N 2.314 123.672 121.300 0.098 0.000 2.381 632 W HA 0.386 5.046 4.660 -0.001 0.000 0.329 632 W C -2.710 173.810 176.519 0.001 0.000 1.157 632 W CA -2.970 54.419 57.345 0.074 0.000 1.240 632 W CB 0.486 30.004 29.460 0.096 0.000 1.199 632 W HN 0.419 nan 8.180 nan 0.000 0.579 633 P HA 0.014 nan 4.420 nan 0.000 0.257 633 P C -0.090 177.374 177.300 0.274 0.000 1.227 633 P CA 0.169 63.490 63.100 0.367 0.000 0.981 633 P CB 0.076 31.947 31.700 0.284 0.000 1.044 634 V N 5.514 125.587 119.914 0.266 0.000 2.322 634 V HA 0.109 4.228 4.120 -0.001 0.000 0.258 634 V C 0.571 176.752 176.094 0.146 0.000 1.074 634 V CA -0.486 61.924 62.300 0.183 0.000 0.909 634 V CB 1.002 32.925 31.823 0.166 0.000 1.090 634 V HN 0.208 nan 8.190 nan 0.000 0.486 635 V N 4.640 124.632 119.914 0.130 0.000 2.347 635 V HA 0.397 4.517 4.120 -0.001 0.000 0.280 635 V C 0.675 176.797 176.094 0.047 0.000 1.021 635 V CA -0.453 61.902 62.300 0.093 0.000 0.847 635 V CB 0.737 32.612 31.823 0.088 0.000 0.990 635 V HN 1.018 nan 8.190 nan 0.000 0.444 636 E N 3.669 123.887 120.200 0.031 0.000 2.416 636 E HA -0.242 4.107 4.350 -0.001 0.000 0.249 636 E C 1.167 177.775 176.600 0.013 0.000 1.124 636 E CA 0.542 56.951 56.400 0.015 0.000 0.732 636 E CB -1.252 28.450 29.700 0.004 0.000 1.286 636 E HN 1.491 nan 8.360 nan 0.000 0.394 637 G N 0.315 109.122 108.800 0.012 0.000 2.168 637 G HA2 -0.338 3.621 3.960 -0.001 0.000 0.257 637 G HA3 -0.338 3.621 3.960 -0.001 0.000 0.257 637 G C -0.085 174.817 174.900 0.003 0.000 0.997 637 G CA 0.921 46.015 45.100 -0.010 0.000 0.708 637 G HN 0.360 nan 8.290 nan 0.000 0.520 638 E N 0.776 120.994 120.200 0.030 0.000 2.165 638 E HA 0.330 4.679 4.350 -0.001 0.000 0.266 638 E C 0.465 177.106 176.600 0.068 0.000 0.889 638 E CA -0.565 55.861 56.400 0.044 0.000 0.756 638 E CB 1.166 30.892 29.700 0.043 0.000 1.131 638 E HN 0.757 nan 8.360 nan 0.000 0.411 639 E N 1.493 121.737 120.200 0.073 0.000 2.371 639 E HA 0.287 4.636 4.350 -0.001 0.000 0.257 639 E C -0.608 176.009 176.600 0.028 0.000 1.134 639 E CA -0.367 56.088 56.400 0.091 0.000 0.919 639 E CB 0.630 30.430 29.700 0.166 0.000 1.025 639 E HN 0.060 nan 8.360 nan 0.000 0.438 640 T N 1.708 116.241 114.554 -0.036 0.000 2.809 640 T HA 0.240 4.590 4.350 -0.001 0.000 0.296 640 T C 0.528 174.973 174.700 -0.424 0.000 1.015 640 T CA -0.684 61.344 62.100 -0.121 0.000 0.954 640 T CB 1.146 69.995 68.868 -0.032 0.000 0.950 640 T HN 0.435 nan 8.240 nan 0.000 0.450 641 R N 2.132 122.304 120.500 -0.546 0.000 2.052 641 R HA 0.097 4.437 4.340 -0.001 0.000 0.224 641 R C 0.332 176.044 176.300 -0.979 0.000 1.165 641 R CA 0.755 56.212 56.100 -1.073 0.000 0.939 641 R CB 0.208 29.651 30.300 -1.429 0.000 0.834 641 R HN 0.518 nan 8.270 nan 0.000 0.435 642 W N 2.387 123.462 121.300 -0.376 0.000 2.335 642 W HA 0.378 5.037 4.660 -0.001 0.000 0.307 642 W C 0.048 176.448 176.519 -0.199 0.000 1.117 642 W CA -0.707 56.446 57.345 -0.320 0.000 1.228 642 W CB 0.637 29.836 29.460 -0.435 0.000 1.240 642 W HN 0.068 nan 8.180 nan 0.000 0.468 643 R N 2.001 122.407 120.500 -0.157 0.000 2.457 643 R HA 0.249 4.588 4.340 -0.001 0.000 0.284 643 R C -0.582 175.517 176.300 -0.336 0.000 1.024 643 R CA -0.460 55.410 56.100 -0.384 0.000 1.025 643 R CB 0.684 30.440 30.300 -0.908 0.000 1.063 643 R HN 0.414 nan 8.270 nan 0.000 0.493 644 Y N -1.611 118.744 120.300 0.091 0.000 4.569 644 Y HA -0.261 4.288 4.550 -0.001 0.000 0.237 644 Y C -0.294 175.605 175.900 -0.001 0.000 1.090 644 Y CA 0.151 58.242 58.100 -0.016 0.000 2.052 644 Y CB -1.598 36.725 38.460 -0.228 0.000 1.621 644 Y HN 0.509 nan 8.280 nan 0.000 0.682 645 R N 1.431 122.071 120.500 0.233 0.000 2.476 645 R HA 0.326 4.666 4.340 -0.001 0.000 0.305 645 R C 0.112 176.509 176.300 0.163 0.000 0.965 645 R CA -0.805 55.412 56.100 0.194 0.000 0.867 645 R CB 1.697 32.189 30.300 0.320 0.000 1.176 645 R HN 0.474 nan 8.270 nan 0.000 0.447 646 E N 1.103 121.349 120.200 0.077 0.000 2.465 646 E HA 0.081 4.431 4.350 -0.001 0.000 0.260 646 E C 0.765 177.327 176.600 -0.063 0.000 0.980 646 E CA 1.335 57.750 56.400 0.025 0.000 0.927 646 E CB 0.312 30.014 29.700 0.003 0.000 0.934 646 E HN 0.788 nan 8.360 nan 0.000 0.459 647 G N 3.599 112.357 108.800 -0.071 0.000 2.358 647 G HA2 -0.323 3.636 3.960 -0.001 0.000 0.224 647 G HA3 -0.323 3.636 3.960 -0.001 0.000 0.224 647 G C 0.495 175.293 174.900 -0.171 0.000 1.073 647 G CA 0.239 45.224 45.100 -0.192 0.000 0.635 647 G HN 0.535 nan 8.290 nan 0.000 0.509 648 F N 1.558 121.559 119.950 0.085 0.000 2.317 648 F HA 0.391 4.918 4.527 -0.001 0.000 0.290 648 F C 1.209 177.078 175.800 0.115 0.000 1.075 648 F CA 0.429 58.512 58.000 0.137 0.000 1.380 648 F CB 0.172 39.307 39.000 0.226 0.000 1.093 648 F HN 0.125 nan 8.300 nan 0.000 0.524 649 D N 1.251 121.830 120.400 0.298 0.000 2.233 649 D HA 0.198 4.838 4.640 -0.001 0.000 0.240 649 D C -1.935 174.481 176.300 0.195 0.000 1.074 649 D CA -2.468 51.684 54.000 0.254 0.000 0.838 649 D CB 2.027 43.009 40.800 0.303 0.000 1.124 649 D HN -0.045 nan 8.370 nan 0.000 0.475 650 P HA -0.054 nan 4.420 nan 0.000 0.236 650 P C 0.663 177.870 177.300 -0.154 0.000 1.177 650 P CA 0.406 63.500 63.100 -0.010 0.000 0.773 650 P CB 0.130 31.793 31.700 -0.062 0.000 0.878 651 Y N -0.172 120.099 120.300 -0.048 0.000 2.529 651 Y HA 0.063 4.613 4.550 -0.001 0.000 0.290 651 Y C 1.140 176.927 175.900 -0.187 0.000 1.177 651 Y CA 0.117 58.063 58.100 -0.256 0.000 1.305 651 Y CB -0.149 37.903 38.460 -0.680 0.000 1.047 651 Y HN -0.273 nan 8.280 nan 0.000 0.522 652 V N 1.676 121.651 119.914 0.101 0.000 2.364 652 V HA 0.137 4.256 4.120 -0.001 0.000 0.272 652 V C 0.019 176.129 176.094 0.028 0.000 1.036 652 V CA -1.438 60.938 62.300 0.126 0.000 0.880 652 V CB 0.978 32.912 31.823 0.185 0.000 0.991 652 V HN 0.095 nan 8.190 nan 0.000 0.460 653 K N 6.158 126.564 120.400 0.010 0.000 2.401 653 K HA 0.156 4.475 4.320 -0.001 0.000 0.278 653 K C -1.548 175.048 176.600 -0.006 0.000 1.018 653 K CA -1.100 55.177 56.287 -0.017 0.000 0.981 653 K CB 0.511 33.002 32.500 -0.015 0.000 0.933 653 K HN 0.329 nan 8.250 nan 0.000 0.477 654 P HA -0.262 nan 4.420 nan 0.000 0.222 654 P C 0.420 177.715 177.300 -0.009 0.000 1.147 654 P CA 1.473 64.562 63.100 -0.019 0.000 0.958 654 P CB 0.010 31.695 31.700 -0.025 0.000 0.788 655 G N -1.015 107.781 108.800 -0.005 0.000 2.985 655 G HA2 0.136 4.095 3.960 -0.001 0.000 0.282 655 G HA3 0.136 4.095 3.960 -0.001 0.000 0.282 655 G C 0.289 175.197 174.900 0.013 0.000 0.791 655 G CA 0.023 45.124 45.100 0.001 0.000 1.934 655 G HN 0.249 nan 8.290 nan 0.000 0.563 656 E N 0.068 120.282 120.200 0.022 0.000 3.902 656 E HA 0.360 4.709 4.350 -0.001 0.000 0.247 656 E C 1.610 178.247 176.600 0.061 0.000 1.284 656 E CA 0.575 57.001 56.400 0.043 0.000 1.773 656 E CB 0.347 30.076 29.700 0.048 0.000 1.684 656 E HN 0.622 nan 8.360 nan 0.000 0.762 657 G N 0.944 109.770 108.800 0.044 0.000 4.240 657 G HA2 -0.213 3.746 3.960 -0.001 0.000 0.254 657 G HA3 -0.213 3.746 3.960 -0.001 0.000 0.254 657 G C -0.398 174.502 174.900 0.000 0.000 1.712 657 G CA 0.076 45.201 45.100 0.042 0.000 1.374 657 G HN 0.181 nan 8.290 nan 0.000 0.631 658 L N 0.342 121.520 121.223 -0.076 0.000 2.371 658 L HA 0.935 5.274 4.340 -0.001 0.000 0.262 658 L C -0.098 176.626 176.870 -0.243 0.000 1.006 658 L CA -0.776 53.893 54.840 -0.285 0.000 0.818 658 L CB 2.386 43.997 42.059 -0.746 0.000 1.354 658 L HN 0.753 nan 8.230 nan 0.000 0.415 659 R N 2.238 122.557 120.500 -0.301 0.000 3.146 659 R HA 0.246 4.586 4.340 -0.001 0.000 0.283 659 R C -1.780 174.373 176.300 -0.245 0.000 1.375 659 R CA -0.387 55.623 56.100 -0.151 0.000 1.029 659 R CB 0.129 30.484 30.300 0.092 0.000 1.375 659 R HN 0.330 nan 8.270 nan 0.000 0.380 660 F N 6.064 125.866 119.950 -0.247 0.000 2.670 660 F HA 0.089 4.615 4.527 -0.001 0.000 0.345 660 F C 0.946 176.503 175.800 -0.406 0.000 1.303 660 F CA -0.180 57.418 58.000 -0.671 0.000 1.172 660 F CB -0.370 38.378 39.000 -0.420 0.000 1.602 660 F HN 0.515 nan 8.300 nan 0.000 0.679 661 Y N -1.174 119.099 120.300 -0.045 0.000 2.749 661 Y HA 0.155 4.704 4.550 -0.001 0.000 0.321 661 Y C 1.616 177.555 175.900 0.066 0.000 1.195 661 Y CA -0.165 57.967 58.100 0.053 0.000 1.338 661 Y CB -1.202 37.329 38.460 0.118 0.000 1.017 661 Y HN 0.380 nan 8.280 nan 0.000 0.517 662 G N 0.443 109.247 108.800 0.006 0.000 2.426 662 G HA2 -0.047 3.912 3.960 -0.001 0.000 0.214 662 G HA3 -0.047 3.912 3.960 -0.001 0.000 0.214 662 G C 0.827 175.787 174.900 0.100 0.000 1.156 662 G CA -0.171 44.986 45.100 0.095 0.000 0.802 662 G HN 0.065 nan 8.290 nan 0.000 0.534 663 K N 0.563 120.998 120.400 0.058 0.000 2.185 663 K HA 0.256 4.575 4.320 -0.001 0.000 0.271 663 K C -1.634 175.011 176.600 0.075 0.000 1.013 663 K CA -1.985 54.331 56.287 0.048 0.000 0.943 663 K CB 1.799 34.303 32.500 0.007 0.000 0.998 663 K HN -0.103 nan 8.250 nan 0.000 0.468 664 P HA -0.139 nan 4.420 nan 0.000 0.215 664 P C 0.568 177.902 177.300 0.057 0.000 1.157 664 P CA 1.174 64.313 63.100 0.064 0.000 0.859 664 P CB 0.181 31.909 31.700 0.047 0.000 0.786 665 D N -1.167 119.257 120.400 0.039 0.000 2.371 665 D HA -0.001 4.638 4.640 -0.001 0.000 0.221 665 D C 1.251 177.579 176.300 0.047 0.000 0.986 665 D CA 1.001 55.020 54.000 0.032 0.000 0.899 665 D CB -1.055 39.753 40.800 0.013 0.000 0.902 665 D HN 0.249 nan 8.370 nan 0.000 0.530 666 G N 0.798 109.639 108.800 0.067 0.000 2.198 666 G HA2 -0.302 3.657 3.960 -0.001 0.000 0.257 666 G HA3 -0.302 3.657 3.960 -0.001 0.000 0.257 666 G C -0.110 174.873 174.900 0.138 0.000 1.042 666 G CA -0.060 45.099 45.100 0.098 0.000 0.791 666 G HN 0.454 nan 8.290 nan 0.000 0.502 667 R N -0.476 120.080 120.500 0.093 0.000 2.621 667 R HA 0.716 5.056 4.340 -0.001 0.000 0.292 667 R C 0.189 176.445 176.300 -0.074 0.000 0.969 667 R CA -0.183 55.962 56.100 0.075 0.000 0.887 667 R CB 1.902 32.188 30.300 -0.022 0.000 1.180 667 R HN 0.514 nan 8.270 nan 0.000 0.450 668 A N 2.502 125.181 122.820 -0.234 0.000 2.327 668 A HA 0.451 4.770 4.320 -0.001 0.000 0.283 668 A C 0.062 177.327 177.584 -0.532 0.000 1.127 668 A CA -0.539 51.092 52.037 -0.676 0.000 0.810 668 A CB 0.824 19.040 19.000 -1.307 0.000 1.066 668 A HN 0.436 nan 8.150 nan 0.000 0.492 669 V N 2.900 122.488 119.914 -0.544 0.000 2.649 669 V HA 0.249 4.369 4.120 -0.001 0.000 0.292 669 V C 0.149 175.945 176.094 -0.497 0.000 1.055 669 V CA 0.052 62.088 62.300 -0.440 0.000 1.023 669 V CB 1.039 32.679 31.823 -0.306 0.000 0.992 669 V HN 0.664 nan 8.190 nan 0.000 0.480 670 I N 5.017 125.229 120.570 -0.597 0.000 2.382 670 I HA 0.318 4.487 4.170 -0.001 0.000 0.286 670 I C -0.686 175.156 176.117 -0.459 0.000 1.002 670 I CA -0.574 60.331 61.300 -0.659 0.000 1.135 670 I CB 1.641 38.913 38.000 -1.213 0.000 1.288 670 I HN 0.399 nan 8.210 nan 0.000 0.448 671 L N 5.970 127.005 121.223 -0.314 0.000 2.312 671 L HA 0.563 4.902 4.340 -0.001 0.000 0.281 671 L C 0.510 177.398 176.870 0.029 0.000 1.070 671 L CA 0.081 54.773 54.840 -0.246 0.000 0.805 671 L CB 1.492 43.234 42.059 -0.528 0.000 1.174 671 L HN 0.584 nan 8.230 nan 0.000 0.434 672 G N 4.437 113.306 108.800 0.115 0.000 2.404 672 G HA2 0.536 4.495 3.960 -0.001 0.000 0.316 672 G HA3 0.536 4.495 3.960 -0.001 0.000 0.316 672 G C -1.236 173.571 174.900 -0.155 0.000 1.074 672 G CA -0.199 45.029 45.100 0.212 0.000 0.989 672 G HN 0.480 nan 8.290 nan 0.000 0.430 673 V N 4.859 124.617 119.914 -0.261 0.000 2.962 673 V HA 0.724 4.844 4.120 -0.001 0.000 0.313 673 V C -2.210 173.664 176.094 -0.367 0.000 1.099 673 V CA -1.683 60.260 62.300 -0.594 0.000 0.971 673 V CB 3.533 34.745 31.823 -1.018 0.000 1.028 673 V HN 0.692 nan 8.190 nan 0.000 0.430 674 P HA 0.291 nan 4.420 nan 0.000 0.299 674 P C -1.379 176.060 177.300 0.232 0.000 1.323 674 P CA -0.539 62.590 63.100 0.048 0.000 0.896 674 P CB 1.112 32.845 31.700 0.055 0.000 1.081 675 Y N 2.048 122.490 120.300 0.236 0.000 2.683 675 Y HA 0.170 4.719 4.550 -0.001 0.000 0.340 675 Y C 0.041 176.132 175.900 0.318 0.000 1.245 675 Y CA 0.822 59.057 58.100 0.226 0.000 1.485 675 Y CB 0.547 39.121 38.460 0.191 0.000 1.328 675 Y HN 0.463 nan 8.280 nan 0.000 0.603 676 E N 5.863 125.517 120.200 -0.909 0.000 2.446 676 E HA 0.493 4.842 4.350 -0.001 0.000 0.276 676 E C -2.789 173.232 176.600 -0.964 0.000 0.969 676 E CA -2.395 53.591 56.400 -0.690 0.000 0.800 676 E CB 2.556 32.150 29.700 -0.178 0.000 1.341 676 E HN 0.433 nan 8.360 nan 0.000 0.460 677 P HA 0.365 nan 4.420 nan 0.000 0.285 677 P C -2.744 174.672 177.300 0.194 0.000 1.285 677 P CA -1.848 61.263 63.100 0.019 0.000 0.854 677 P CB 0.798 32.602 31.700 0.174 0.000 1.180 678 P HA 0.049 nan 4.420 nan 0.000 0.272 678 P C 0.705 177.956 177.300 -0.082 0.000 1.230 678 P CA -0.011 63.189 63.100 0.167 0.000 0.788 678 P CB 0.359 32.192 31.700 0.222 0.000 0.949 679 A N 1.702 124.364 122.820 -0.263 0.000 1.892 679 A HA -0.182 4.137 4.320 -0.001 0.000 0.218 679 A C 1.035 178.385 177.584 -0.390 0.000 1.188 679 A CA 1.578 53.176 52.037 -0.732 0.000 0.631 679 A CB -0.724 18.037 19.000 -0.398 0.000 0.822 679 A HN 0.716 nan 8.150 nan 0.000 0.447 680 E N -0.320 119.787 120.200 -0.154 0.000 2.241 680 E HA 0.520 4.869 4.350 -0.001 0.000 0.263 680 E C -1.292 175.282 176.600 -0.043 0.000 0.882 680 E CA -0.410 55.923 56.400 -0.110 0.000 0.769 680 E CB 1.406 31.034 29.700 -0.120 0.000 1.185 680 E HN 0.261 nan 8.360 nan 0.000 0.415 681 S N 4.131 119.755 115.700 -0.126 0.000 2.621 681 S HA 0.573 5.043 4.470 -0.001 0.000 0.302 681 S C -2.513 171.827 174.600 -0.434 0.000 1.093 681 S CA -1.335 56.663 58.200 -0.337 0.000 1.017 681 S CB 1.498 64.621 63.200 -0.128 0.000 1.077 681 S HN 0.509 nan 8.310 nan 0.000 0.517 682 P HA 0.180 nan 4.420 nan 0.000 0.268 682 P C -0.660 176.502 177.300 -0.230 0.000 1.205 682 P CA 0.070 62.901 63.100 -0.448 0.000 0.771 682 P CB 0.493 31.818 31.700 -0.626 0.000 0.858 683 D N 1.171 121.518 120.400 -0.089 0.000 2.577 683 D HA 0.106 4.745 4.640 -0.001 0.000 0.248 683 D C 0.960 177.232 176.300 -0.046 0.000 1.181 683 D CA -0.435 53.547 54.000 -0.029 0.000 1.083 683 D CB 0.903 41.747 40.800 0.073 0.000 1.198 683 D HN 0.417 nan 8.370 nan 0.000 0.626 684 E N 0.137 120.320 120.200 -0.028 0.000 2.166 684 E HA -0.086 4.263 4.350 -0.001 0.000 0.192 684 E C 1.565 178.109 176.600 -0.094 0.000 0.967 684 E CA 0.327 56.689 56.400 -0.063 0.000 0.840 684 E CB 0.412 30.083 29.700 -0.049 0.000 0.795 684 E HN 0.367 nan 8.360 nan 0.000 0.470 685 E N -0.477 119.675 120.200 -0.080 0.000 2.028 685 E HA -0.091 4.258 4.350 -0.001 0.000 0.190 685 E C -0.316 176.022 176.600 -0.436 0.000 0.984 685 E CA 0.662 56.896 56.400 -0.277 0.000 0.800 685 E CB 0.131 29.648 29.700 -0.304 0.000 0.758 685 E HN 0.082 nan 8.360 nan 0.000 0.448 686 F N 0.155 120.067 119.950 -0.064 0.000 2.300 686 F HA 0.364 4.890 4.527 -0.001 0.000 0.364 686 F C 1.027 176.756 175.800 -0.118 0.000 1.090 686 F CA -0.456 57.512 58.000 -0.054 0.000 1.200 686 F CB 1.380 40.353 39.000 -0.046 0.000 1.493 686 F HN 0.007 nan 8.300 nan 0.000 0.518 687 G N 1.475 110.239 108.800 -0.060 0.000 2.650 687 G HA2 -0.031 3.928 3.960 -0.001 0.000 0.214 687 G HA3 -0.031 3.928 3.960 -0.001 0.000 0.214 687 G C 0.284 174.991 174.900 -0.322 0.000 1.136 687 G CA 0.170 45.127 45.100 -0.238 0.000 0.789 687 G HN 0.318 nan 8.290 nan 0.000 0.536 688 F N -1.081 118.852 119.950 -0.027 0.000 2.397 688 F HA 0.512 5.038 4.527 -0.001 0.000 0.331 688 F C 0.004 175.816 175.800 0.020 0.000 1.090 688 F CA -1.412 56.598 58.000 0.016 0.000 1.065 688 F CB 1.230 40.278 39.000 0.080 0.000 1.184 688 F HN -0.036 nan 8.300 nan 0.000 0.499 689 W N 4.323 125.810 121.300 0.312 0.000 2.316 689 W HA 0.436 5.095 4.660 -0.001 0.000 0.311 689 W C -0.710 175.918 176.519 0.182 0.000 1.217 689 W CA -0.740 56.724 57.345 0.198 0.000 1.199 689 W CB 1.063 30.626 29.460 0.172 0.000 1.202 689 W HN 0.119 nan 8.180 nan 0.000 0.528 690 L N 6.375 127.860 121.223 0.437 0.000 2.272 690 L HA 0.468 4.807 4.340 -0.001 0.000 0.284 690 L C -0.652 176.357 176.870 0.232 0.000 1.045 690 L CA -0.574 54.420 54.840 0.256 0.000 0.842 690 L CB 0.145 42.300 42.059 0.159 0.000 1.224 690 L HN 0.117 nan 8.230 nan 0.000 0.430 691 V N 3.770 123.819 119.914 0.226 0.000 2.567 691 V HA 0.597 4.716 4.120 -0.001 0.000 0.289 691 V C 0.480 176.631 176.094 0.095 0.000 1.049 691 V CA -0.382 62.075 62.300 0.262 0.000 0.969 691 V CB 1.562 33.656 31.823 0.451 0.000 0.995 691 V HN 0.793 nan 8.190 nan 0.000 0.471 692 T N 2.723 117.332 114.554 0.092 0.000 2.886 692 T HA 0.792 5.141 4.350 -0.001 0.000 0.292 692 T C 0.236 174.962 174.700 0.045 0.000 1.012 692 T CA 0.299 62.310 62.100 -0.147 0.000 0.982 692 T CB 1.760 70.593 68.868 -0.059 0.000 1.018 692 T HN 1.122 nan 8.240 nan 0.000 0.451 693 G N 2.449 111.204 108.800 -0.075 0.000 2.791 693 G HA2 0.653 4.613 3.960 -0.001 0.000 0.158 693 G HA3 0.653 4.613 3.960 -0.001 0.000 0.158 693 G C -1.364 173.808 174.900 0.454 0.000 1.193 693 G CA -0.623 44.735 45.100 0.430 0.000 1.032 693 G HN 0.635 nan 8.290 nan 0.000 0.557 694 R N -2.046 118.741 120.500 0.479 0.000 2.987 694 R HA 0.818 5.158 4.340 -0.001 0.000 0.248 694 R C -1.527 174.884 176.300 0.185 0.000 1.264 694 R CA -0.687 55.549 56.100 0.227 0.000 1.026 694 R CB 2.165 32.514 30.300 0.081 0.000 1.286 694 R HN 0.372 nan 8.270 nan 0.000 0.483 695 V N 1.279 121.181 119.914 -0.020 0.000 2.888 695 V HA 0.114 4.233 4.120 -0.001 0.000 0.309 695 V C 0.609 176.572 176.094 -0.219 0.000 1.114 695 V CA -0.632 61.591 62.300 -0.129 0.000 0.940 695 V CB 2.035 33.645 31.823 -0.355 0.000 1.021 695 V HN 0.708 nan 8.190 nan 0.000 0.426 696 L N 3.752 124.868 121.223 -0.178 0.000 2.010 696 L HA -0.208 4.131 4.340 -0.001 0.000 0.219 696 L C 2.053 178.757 176.870 -0.276 0.000 1.077 696 L CA 2.530 57.257 54.840 -0.188 0.000 0.773 696 L CB -0.301 41.683 42.059 -0.125 0.000 0.892 696 L HN 0.874 nan 8.230 nan 0.000 0.436 697 E N -1.187 118.793 120.200 -0.367 0.000 2.338 697 E HA -0.059 4.291 4.350 -0.001 0.000 0.197 697 E C -0.035 176.072 176.600 -0.822 0.000 1.007 697 E CA 0.819 56.885 56.400 -0.556 0.000 0.849 697 E CB -0.111 29.223 29.700 -0.609 0.000 0.774 697 E HN 0.542 nan 8.360 nan 0.000 0.506 698 H N -1.382 117.392 119.070 -0.493 0.000 2.600 698 H HA 0.154 4.709 4.556 -0.001 0.000 0.357 698 H C -1.119 173.952 175.328 -0.428 0.000 1.106 698 H CA -0.918 54.806 56.048 -0.539 0.000 1.193 698 H CB 0.884 30.092 29.762 -0.923 0.000 1.594 698 H HN 0.156 nan 8.280 nan 0.000 0.526 699 W N 5.636 126.677 121.300 -0.432 0.000 2.291 699 W HA 0.138 4.797 4.660 -0.001 0.000 0.312 699 W C -0.248 176.044 176.519 -0.378 0.000 1.061 699 W CA -0.133 56.903 57.345 -0.516 0.000 1.296 699 W CB 0.127 29.208 29.460 -0.632 0.000 1.223 699 W HN 0.840 nan 8.180 nan 0.000 0.421 700 H N 1.753 120.262 119.070 -0.935 0.000 1.452 700 H HA -0.300 4.255 4.556 -0.001 0.000 0.090 700 H C 1.821 176.449 175.328 -1.166 0.000 1.097 700 H CA 2.333 57.658 56.048 -1.205 0.000 1.901 700 H CB -1.641 27.675 29.762 -0.743 0.000 2.257 700 H HN 0.413 nan 8.280 nan 0.000 0.961 701 S N 1.410 116.870 115.700 -0.400 0.000 2.555 701 S HA 0.163 4.632 4.470 -0.001 0.000 0.230 701 S C 1.736 176.278 174.600 -0.096 0.000 0.978 701 S CA 1.583 59.674 58.200 -0.181 0.000 0.934 701 S CB -0.118 63.118 63.200 0.061 0.000 0.766 701 S HN 1.037 nan 8.310 nan 0.000 0.533 702 G N 1.371 110.119 108.800 -0.087 0.000 2.175 702 G HA2 -0.350 3.609 3.960 -0.001 0.000 0.265 702 G HA3 -0.350 3.609 3.960 -0.001 0.000 0.265 702 G C 0.945 175.838 174.900 -0.012 0.000 0.979 702 G CA 0.733 45.793 45.100 -0.067 0.000 0.663 702 G HN 0.663 nan 8.290 nan 0.000 0.533 703 S N -0.688 115.041 115.700 0.048 0.000 2.442 703 S HA 0.032 4.502 4.470 -0.001 0.000 0.236 703 S C 2.159 176.745 174.600 -0.024 0.000 1.007 703 S CA 1.751 59.971 58.200 0.032 0.000 0.965 703 S CB -0.144 63.157 63.200 0.168 0.000 0.773 703 S HN 0.602 nan 8.310 nan 0.000 0.504 704 M N 1.008 120.669 119.600 0.102 0.000 2.858 704 M HA 0.033 4.512 4.480 -0.001 0.000 0.255 704 M C 2.596 178.944 176.300 0.079 0.000 1.336 704 M CA 1.323 56.690 55.300 0.112 0.000 1.220 704 M CB -0.548 32.198 32.600 0.243 0.000 1.252 704 M HN 0.471 nan 8.290 nan 0.000 0.538 705 T N -0.315 114.315 114.554 0.127 0.000 2.904 705 T HA 0.023 4.373 4.350 -0.001 0.000 0.267 705 T C 1.640 176.415 174.700 0.126 0.000 1.059 705 T CA 0.794 62.960 62.100 0.109 0.000 1.137 705 T CB -0.590 68.329 68.868 0.085 0.000 0.879 705 T HN 0.265 nan 8.240 nan 0.000 0.467 706 L N 0.097 121.354 121.223 0.056 0.000 2.549 706 L HA 0.167 4.506 4.340 -0.001 0.000 0.229 706 L C 2.827 179.651 176.870 -0.077 0.000 1.158 706 L CA 0.707 55.564 54.840 0.028 0.000 0.842 706 L CB -0.254 41.752 42.059 -0.087 0.000 0.952 706 L HN 0.230 nan 8.230 nan 0.000 0.452 707 R N -1.543 118.894 120.500 -0.104 0.000 2.282 707 R HA 0.018 4.357 4.340 -0.001 0.000 0.195 707 R C 0.652 176.911 176.300 -0.068 0.000 0.909 707 R CA 0.254 56.258 56.100 -0.160 0.000 1.039 707 R CB -0.006 30.112 30.300 -0.304 0.000 1.015 707 R HN 0.329 nan 8.270 nan 0.000 0.513 708 W N 2.825 124.110 121.300 -0.026 0.000 2.388 708 W HA 0.257 4.916 4.660 -0.001 0.000 0.308 708 W C -2.109 174.369 176.519 -0.067 0.000 1.263 708 W CA -2.665 54.654 57.345 -0.043 0.000 1.286 708 W CB -0.102 29.325 29.460 -0.055 0.000 1.294 708 W HN -0.076 nan 8.180 nan 0.000 0.493 709 P HA -0.313 nan 4.420 nan 0.000 0.215 709 P C 1.688 178.943 177.300 -0.075 0.000 1.163 709 P CA 3.293 66.383 63.100 -0.016 0.000 0.894 709 P CB 0.218 31.903 31.700 -0.025 0.000 0.791 710 E N -0.304 119.731 120.200 -0.275 0.000 2.153 710 E HA -0.126 4.224 4.350 -0.001 0.000 0.194 710 E C 2.153 178.589 176.600 -0.275 0.000 0.988 710 E CA 1.047 57.255 56.400 -0.320 0.000 0.811 710 E CB -1.194 28.177 29.700 -0.549 0.000 0.746 710 E HN 0.336 nan 8.360 nan 0.000 0.466 711 L N -0.178 120.866 121.223 -0.299 0.000 2.095 711 L HA -0.100 4.239 4.340 -0.001 0.000 0.204 711 L C 2.676 179.485 176.870 -0.101 0.000 1.080 711 L CA 0.986 55.676 54.840 -0.249 0.000 0.759 711 L CB -0.578 41.317 42.059 -0.272 0.000 0.914 711 L HN 0.034 nan 8.230 nan 0.000 0.439 712 Y N 1.531 121.805 120.300 -0.043 0.000 2.089 712 Y HA -0.277 4.273 4.550 -0.001 0.000 0.282 712 Y C 2.562 178.497 175.900 0.058 0.000 1.139 712 Y CA 1.522 59.673 58.100 0.084 0.000 1.123 712 Y CB -0.313 38.164 38.460 0.028 0.000 0.980 712 Y HN -0.055 nan 8.280 nan 0.000 0.493 713 K N 0.053 120.336 120.400 -0.194 0.000 2.089 713 K HA -0.246 4.073 4.320 -0.001 0.000 0.210 713 K C 2.271 178.746 176.600 -0.210 0.000 1.048 713 K CA 1.468 57.601 56.287 -0.257 0.000 0.926 713 K CB -0.526 31.910 32.500 -0.107 0.000 0.714 713 K HN 0.459 nan 8.250 nan 0.000 0.448 714 A N 0.030 122.767 122.820 -0.138 0.000 2.019 714 A HA -0.100 4.220 4.320 -0.001 0.000 0.219 714 A C 0.899 178.477 177.584 -0.010 0.000 1.164 714 A CA 0.972 52.957 52.037 -0.086 0.000 0.644 714 A CB -0.076 18.871 19.000 -0.089 0.000 0.805 714 A HN 0.384 nan 8.150 nan 0.000 0.449 715 F N -0.886 118.965 119.950 -0.165 0.000 3.181 715 F HA 0.221 4.748 4.527 -0.001 0.000 0.418 715 F C -2.117 173.698 175.800 0.024 0.000 1.117 715 F CA -1.300 56.671 58.000 -0.049 0.000 1.255 715 F CB 1.306 40.276 39.000 -0.051 0.000 2.615 715 F HN -0.017 nan 8.300 nan 0.000 0.640 716 P HA -0.058 nan 4.420 nan 0.000 0.216 716 P C 0.613 178.098 177.300 0.308 0.000 1.157 716 P CA 1.563 64.478 63.100 -0.308 0.000 0.880 716 P CB 0.581 31.958 31.700 -0.537 0.000 0.791 717 G N -1.818 107.205 108.800 0.371 0.000 2.694 717 G HA2 0.588 4.547 3.960 -0.001 0.000 0.290 717 G HA3 0.588 4.547 3.960 -0.001 0.000 0.290 717 G C -1.114 173.997 174.900 0.351 0.000 1.386 717 G CA -0.158 45.155 45.100 0.354 0.000 0.872 717 G HN 0.268 nan 8.290 nan 0.000 0.475 718 A N -0.935 121.804 122.820 -0.135 0.000 2.475 718 A HA 0.611 4.931 4.320 -0.001 0.000 0.239 718 A C 0.131 177.704 177.584 -0.018 0.000 1.087 718 A CA 0.280 52.171 52.037 -0.242 0.000 0.779 718 A CB 0.240 18.920 19.000 -0.533 0.000 1.036 718 A HN 1.643 nan 8.150 nan 0.000 0.506 719 V N -0.781 119.129 119.914 -0.007 0.000 3.178 719 V HA 0.439 4.559 4.120 -0.001 0.000 0.302 719 V C -0.411 175.576 176.094 -0.179 0.000 1.262 719 V CA -0.936 61.286 62.300 -0.130 0.000 1.030 719 V CB 1.185 32.855 31.823 -0.255 0.000 1.074 719 V HN 1.220 nan 8.190 nan 0.000 0.438 720 C N 3.354 122.531 119.300 -0.205 0.000 2.255 720 C HA 0.732 5.191 4.460 -0.001 0.000 0.326 720 C C -0.223 174.662 174.990 -0.175 0.000 1.258 720 C CA -0.457 58.482 59.018 -0.131 0.000 1.676 720 C CB -1.373 26.296 27.740 -0.118 0.000 2.314 720 C HN 0.612 nan 8.230 nan 0.000 0.509 721 F N 6.766 126.730 119.950 0.023 0.000 2.420 721 F HA 0.520 5.047 4.527 -0.001 0.000 0.352 721 F C 0.560 176.340 175.800 -0.034 0.000 1.108 721 F CA 0.166 58.172 58.000 0.011 0.000 1.162 721 F CB 0.801 39.813 39.000 0.021 0.000 1.118 721 F HN 0.522 nan 8.300 nan 0.000 0.510 722 M N 2.371 122.034 119.600 0.104 0.000 2.704 722 M HA 0.382 4.861 4.480 -0.001 0.000 0.284 722 M C -1.317 175.059 176.300 0.127 0.000 1.275 722 M CA -0.885 54.453 55.300 0.064 0.000 0.811 722 M CB 2.196 34.772 32.600 -0.040 0.000 1.741 722 M HN 0.688 nan 8.290 nan 0.000 0.458 723 H N 2.194 121.317 119.070 0.090 0.000 2.652 723 H HA 0.287 4.842 4.556 -0.001 0.000 0.349 723 H C -1.880 173.494 175.328 0.077 0.000 1.099 723 H CA -0.667 55.441 56.048 0.100 0.000 1.417 723 H CB 1.075 30.917 29.762 0.133 0.000 1.457 723 H HN 0.253 nan 8.280 nan 0.000 0.568 724 P HA -0.186 nan 4.420 nan 0.000 0.219 724 P C 0.843 178.229 177.300 0.144 0.000 1.146 724 P CA 1.337 64.424 63.100 -0.021 0.000 0.808 724 P CB 0.429 32.056 31.700 -0.121 0.000 0.779 725 E N -0.441 120.012 120.200 0.421 0.000 2.216 725 E HA -0.074 4.275 4.350 -0.001 0.000 0.192 725 E C 1.161 177.894 176.600 0.222 0.000 0.973 725 E CA 0.215 56.796 56.400 0.302 0.000 0.851 725 E CB -0.039 29.833 29.700 0.287 0.000 0.804 725 E HN 0.035 nan 8.360 nan 0.000 0.477 726 D N 0.225 120.793 120.400 0.279 0.000 2.351 726 D HA -0.084 4.556 4.640 -0.001 0.000 0.216 726 D C 1.264 177.691 176.300 0.212 0.000 0.968 726 D CA 0.711 54.859 54.000 0.246 0.000 0.899 726 D CB 0.199 41.228 40.800 0.382 0.000 0.907 726 D HN 0.206 nan 8.370 nan 0.000 0.514 727 A N 0.215 123.130 122.820 0.158 0.000 1.887 727 A HA 0.019 4.339 4.320 -0.001 0.000 0.210 727 A C 2.091 179.720 177.584 0.074 0.000 1.221 727 A CA 0.286 52.379 52.037 0.094 0.000 0.635 727 A CB -0.099 18.936 19.000 0.058 0.000 0.881 727 A HN 0.023 nan 8.150 nan 0.000 0.456 728 R N 0.896 121.441 120.500 0.074 0.000 2.112 728 R HA -0.210 4.129 4.340 -0.001 0.000 0.242 728 R C 2.616 178.946 176.300 0.050 0.000 1.137 728 R CA 2.134 58.267 56.100 0.053 0.000 0.944 728 R CB -0.777 29.557 30.300 0.056 0.000 0.857 728 R HN 0.675 nan 8.270 nan 0.000 0.435 729 S N 1.128 116.865 115.700 0.061 0.000 2.368 729 S HA -0.232 4.237 4.470 -0.001 0.000 0.226 729 S C 1.907 176.533 174.600 0.043 0.000 1.044 729 S CA 1.504 59.733 58.200 0.048 0.000 1.062 729 S CB -0.284 62.947 63.200 0.051 0.000 0.931 729 S HN 0.273 nan 8.310 nan 0.000 0.440 730 R N 1.192 121.728 120.500 0.060 0.000 2.328 730 R HA 0.276 4.615 4.340 -0.001 0.000 0.200 730 R C 1.466 177.786 176.300 0.032 0.000 0.983 730 R CA 0.543 56.673 56.100 0.051 0.000 1.062 730 R CB -0.628 29.720 30.300 0.079 0.000 0.956 730 R HN 0.724 nan 8.270 nan 0.000 0.479 731 G N 0.229 109.047 108.800 0.029 0.000 2.176 731 G HA2 -0.234 3.725 3.960 -0.001 0.000 0.252 731 G HA3 -0.234 3.725 3.960 -0.001 0.000 0.252 731 G C -0.397 174.511 174.900 0.013 0.000 1.024 731 G CA -0.240 44.871 45.100 0.018 0.000 0.755 731 G HN 0.048 nan 8.290 nan 0.000 0.507 732 L N 0.150 121.384 121.223 0.018 0.000 2.331 732 L HA 0.592 4.931 4.340 -0.001 0.000 0.275 732 L C 0.551 177.423 176.870 0.005 0.000 1.022 732 L CA -1.088 53.756 54.840 0.007 0.000 0.812 732 L CB 1.316 43.379 42.059 0.007 0.000 1.257 732 L HN 0.406 nan 8.230 nan 0.000 0.435 733 N N 0.712 119.407 118.700 -0.009 0.000 2.890 733 N HA 0.526 5.265 4.740 -0.001 0.000 0.317 733 N C -0.771 174.722 175.510 -0.028 0.000 1.355 733 N CA -1.076 51.966 53.050 -0.013 0.000 0.803 733 N CB 1.427 39.904 38.487 -0.016 0.000 1.465 733 N HN 0.376 nan 8.380 nan 0.000 0.591 734 R N 0.140 120.619 120.500 -0.035 0.000 2.401 734 R HA 0.251 4.590 4.340 -0.001 0.000 0.299 734 R C 0.423 176.687 176.300 -0.060 0.000 1.064 734 R CA 0.987 57.055 56.100 -0.054 0.000 1.000 734 R CB -0.250 30.017 30.300 -0.054 0.000 0.973 734 R HN 0.914 nan 8.270 nan 0.000 0.438 735 G N 2.281 111.036 108.800 -0.075 0.000 2.238 735 G HA2 -0.247 3.713 3.960 -0.001 0.000 0.217 735 G HA3 -0.247 3.713 3.960 -0.001 0.000 0.217 735 G C -0.168 174.695 174.900 -0.061 0.000 0.996 735 G CA 0.041 45.098 45.100 -0.072 0.000 0.632 735 G HN 0.628 nan 8.290 nan 0.000 0.503 736 S N 0.777 116.445 115.700 -0.053 0.000 2.558 736 S HA 0.331 4.800 4.470 -0.001 0.000 0.288 736 S C 0.307 174.876 174.600 -0.051 0.000 1.318 736 S CA 0.074 58.247 58.200 -0.044 0.000 1.056 736 S CB 1.524 64.703 63.200 -0.036 0.000 0.853 736 S HN 0.436 nan 8.310 nan 0.000 0.505 737 E N 2.321 122.495 120.200 -0.043 0.000 2.052 737 E HA 0.294 4.644 4.350 -0.001 0.000 0.283 737 E C -0.162 176.412 176.600 -0.043 0.000 1.071 737 E CA -0.522 55.851 56.400 -0.045 0.000 0.851 737 E CB 0.323 30.001 29.700 -0.037 0.000 1.066 737 E HN 0.504 nan 8.360 nan 0.000 0.396 738 V N 1.715 121.598 119.914 -0.052 0.000 2.966 738 V HA 0.587 4.706 4.120 -0.001 0.000 0.317 738 V C -0.025 176.042 176.094 -0.044 0.000 1.070 738 V CA -1.018 61.253 62.300 -0.048 0.000 1.008 738 V CB 1.732 33.516 31.823 -0.065 0.000 1.070 738 V HN 0.538 nan 8.190 nan 0.000 0.457 739 R N 1.073 121.553 120.500 -0.033 0.000 2.337 739 R HA 0.644 4.983 4.340 -0.001 0.000 0.319 739 R C -1.368 174.923 176.300 -0.014 0.000 0.954 739 R CA -0.507 55.580 56.100 -0.022 0.000 0.840 739 R CB 1.833 32.127 30.300 -0.011 0.000 1.164 739 R HN 0.727 nan 8.270 nan 0.000 0.472 740 V N 6.613 126.516 119.914 -0.020 0.000 2.408 740 V HA 0.304 4.423 4.120 -0.001 0.000 0.267 740 V C 0.230 176.344 176.094 0.034 0.000 1.047 740 V CA -0.094 62.204 62.300 -0.004 0.000 0.937 740 V CB 0.819 32.625 31.823 -0.028 0.000 0.999 740 V HN 0.609 nan 8.190 nan 0.000 0.472 741 I N 3.987 124.609 120.570 0.087 0.000 2.569 741 I HA 0.618 4.788 4.170 -0.001 0.000 0.296 741 I C 0.175 176.443 176.117 0.252 0.000 1.028 741 I CA -0.044 61.338 61.300 0.137 0.000 1.082 741 I CB 2.185 40.260 38.000 0.125 0.000 1.264 741 I HN 0.525 nan 8.210 nan 0.000 0.429 742 S N 2.751 118.566 115.700 0.192 0.000 2.732 742 S HA 0.454 4.923 4.470 -0.001 0.000 0.293 742 S C 0.687 175.307 174.600 0.035 0.000 1.159 742 S CA -0.815 57.428 58.200 0.073 0.000 0.847 742 S CB 2.057 65.233 63.200 -0.041 0.000 1.169 742 S HN 0.563 nan 8.310 nan 0.000 0.501 743 R N 0.414 120.774 120.500 -0.232 0.000 2.285 743 R HA 0.077 4.416 4.340 -0.001 0.000 0.213 743 R C 1.317 177.595 176.300 -0.036 0.000 1.068 743 R CA 0.899 56.928 56.100 -0.119 0.000 1.004 743 R CB -0.045 30.114 30.300 -0.235 0.000 0.873 743 R HN 0.385 nan 8.270 nan 0.000 0.467 744 R N -0.489 119.986 120.500 -0.042 0.000 2.250 744 R HA 0.202 4.541 4.340 -0.001 0.000 0.194 744 R C 0.740 177.037 176.300 -0.005 0.000 0.927 744 R CA 0.499 56.587 56.100 -0.020 0.000 1.052 744 R CB 1.227 31.506 30.300 -0.036 0.000 1.055 744 R HN 0.174 nan 8.270 nan 0.000 0.537 745 G N 0.034 108.838 108.800 0.006 0.000 2.441 745 G HA2 0.341 4.300 3.960 -0.001 0.000 0.294 745 G HA3 0.341 4.300 3.960 -0.001 0.000 0.294 745 G C -1.819 173.092 174.900 0.018 0.000 1.393 745 G CA -0.757 44.347 45.100 0.006 0.000 0.796 745 G HN 0.014 nan 8.290 nan 0.000 0.494 746 E N -1.026 119.176 120.200 0.003 0.000 2.367 746 E HA 0.720 5.070 4.350 -0.001 0.000 0.273 746 E C -0.861 175.727 176.600 -0.020 0.000 0.903 746 E CA -0.734 55.667 56.400 0.002 0.000 0.764 746 E CB 2.986 32.690 29.700 0.005 0.000 1.252 746 E HN 0.442 nan 8.360 nan 0.000 0.446 747 I N 0.570 121.125 120.570 -0.025 0.000 3.074 747 I HA 0.476 4.645 4.170 -0.001 0.000 0.310 747 I C -0.676 175.417 176.117 -0.041 0.000 1.153 747 I CA -1.061 60.214 61.300 -0.042 0.000 0.993 747 I CB 2.247 40.214 38.000 -0.054 0.000 1.237 747 I HN 0.219 nan 8.210 nan 0.000 0.443 748 R N 2.105 122.575 120.500 -0.049 0.000 2.388 748 R HA 0.509 4.849 4.340 -0.001 0.000 0.314 748 R C -0.941 175.321 176.300 -0.063 0.000 0.959 748 R CA -0.461 55.609 56.100 -0.049 0.000 0.851 748 R CB 2.018 32.292 30.300 -0.042 0.000 1.168 748 R HN 0.780 nan 8.270 nan 0.000 0.472 749 T N -0.350 114.161 114.554 -0.072 0.000 2.907 749 T HA 0.556 4.905 4.350 -0.001 0.000 0.290 749 T C 0.097 174.745 174.700 -0.086 0.000 1.066 749 T CA -1.088 60.961 62.100 -0.087 0.000 1.012 749 T CB 2.143 70.950 68.868 -0.103 0.000 1.184 749 T HN 0.349 nan 8.240 nan 0.000 0.522 750 R N 0.187 120.629 120.500 -0.097 0.000 2.598 750 R HA 0.558 4.897 4.340 -0.001 0.000 0.279 750 R C -0.680 175.542 176.300 -0.130 0.000 0.984 750 R CA -1.020 55.021 56.100 -0.099 0.000 0.999 750 R CB 1.014 31.258 30.300 -0.092 0.000 1.114 750 R HN 0.371 nan 8.270 nan 0.000 0.493 751 L N 1.571 122.722 121.223 -0.119 0.000 2.439 751 L HA 0.136 4.475 4.340 -0.001 0.000 0.269 751 L C 0.163 176.931 176.870 -0.169 0.000 1.179 751 L CA 0.847 55.607 54.840 -0.133 0.000 0.828 751 L CB 0.310 42.313 42.059 -0.093 0.000 1.106 751 L HN 0.604 nan 8.230 nan 0.000 0.467 752 E N 1.181 121.254 120.200 -0.213 0.000 2.317 752 E HA 0.258 4.607 4.350 -0.001 0.000 0.270 752 E C -1.347 175.168 176.600 -0.142 0.000 0.899 752 E CA -0.267 55.994 56.400 -0.232 0.000 0.814 752 E CB 1.517 30.970 29.700 -0.412 0.000 1.296 752 E HN 0.666 nan 8.360 nan 0.000 0.404 753 T N 1.755 116.268 114.554 -0.068 0.000 2.912 753 T HA 0.473 4.822 4.350 -0.001 0.000 0.288 753 T C 0.319 175.014 174.700 -0.008 0.000 1.030 753 T CA -0.212 61.880 62.100 -0.013 0.000 1.020 753 T CB 1.105 69.961 68.868 -0.020 0.000 1.056 753 T HN 0.716 nan 8.240 nan 0.000 0.480 754 R N 0.587 121.096 120.500 0.017 0.000 3.854 754 R HA -0.117 4.223 4.340 -0.001 0.000 0.352 754 R C 0.697 177.028 176.300 0.053 0.000 1.156 754 R CA 0.584 56.693 56.100 0.016 0.000 0.917 754 R CB -2.095 28.199 30.300 -0.011 0.000 1.471 754 R HN 0.973 nan 8.270 nan 0.000 0.521 755 G N 0.245 109.128 108.800 0.139 0.000 2.543 755 G HA2 0.300 4.260 3.960 -0.001 0.000 0.267 755 G HA3 0.300 4.260 3.960 -0.001 0.000 0.267 755 G C 0.950 175.991 174.900 0.235 0.000 1.406 755 G CA -0.044 45.199 45.100 0.239 0.000 1.048 755 G HN 0.276 nan 8.290 nan 0.000 0.548 756 R N -0.771 119.893 120.500 0.274 0.000 2.075 756 R HA 0.006 4.346 4.340 -0.001 0.000 0.232 756 R C -0.155 176.136 176.300 -0.015 0.000 1.126 756 R CA 0.793 56.953 56.100 0.099 0.000 0.963 756 R CB -0.533 29.818 30.300 0.085 0.000 0.858 756 R HN 0.251 nan 8.270 nan 0.000 0.435 757 N N 2.137 120.691 118.700 -0.243 0.000 2.406 757 N HA 0.099 4.839 4.740 -0.001 0.000 0.251 757 N C -0.905 174.538 175.510 -0.111 0.000 1.069 757 N CA -0.051 52.790 53.050 -0.348 0.000 0.947 757 N CB 1.262 39.069 38.487 -1.132 0.000 1.111 757 N HN 0.179 nan 8.380 nan 0.000 0.497 758 R N 2.254 122.755 120.500 0.002 0.000 2.287 758 R HA 0.295 4.635 4.340 -0.001 0.000 0.327 758 R C 0.191 176.531 176.300 0.066 0.000 1.109 758 R CA -0.553 55.566 56.100 0.032 0.000 1.013 758 R CB 0.422 30.736 30.300 0.024 0.000 1.126 758 R HN 0.311 nan 8.270 nan 0.000 0.503 759 M N 3.537 123.182 119.600 0.075 0.000 2.243 759 M HA 0.242 4.721 4.480 -0.001 0.000 0.341 759 M C -2.019 174.437 176.300 0.260 0.000 1.130 759 M CA -2.906 52.480 55.300 0.143 0.000 1.162 759 M CB -0.174 32.511 32.600 0.142 0.000 1.497 759 M HN 0.247 nan 8.290 nan 0.000 0.456 760 P HA 0.371 nan 4.420 nan 0.000 0.282 760 P C -0.704 176.732 177.300 0.226 0.000 1.259 760 P CA -0.714 62.527 63.100 0.234 0.000 0.826 760 P CB 0.602 32.388 31.700 0.144 0.000 1.064 761 R N 1.002 121.538 120.500 0.061 0.000 2.538 761 R HA 0.315 4.654 4.340 -0.001 0.000 0.282 761 R C 1.144 177.525 176.300 0.134 0.000 1.009 761 R CA 1.056 57.142 56.100 -0.023 0.000 1.063 761 R CB -0.862 29.313 30.300 -0.208 0.000 0.945 761 R HN 0.941 nan 8.270 nan 0.000 0.414 762 G N 1.214 110.163 108.800 0.248 0.000 2.175 762 G HA2 -0.249 3.710 3.960 -0.001 0.000 0.244 762 G HA3 -0.249 3.710 3.960 -0.001 0.000 0.244 762 G C -0.097 175.136 174.900 0.555 0.000 0.982 762 G CA -0.094 45.153 45.100 0.245 0.000 0.641 762 G HN 0.449 nan 8.290 nan 0.000 0.527 763 V N 0.368 120.597 119.914 0.526 0.000 2.540 763 V HA 0.789 4.908 4.120 -0.001 0.000 0.302 763 V C -0.003 176.281 176.094 0.316 0.000 1.035 763 V CA -0.849 61.734 62.300 0.472 0.000 0.873 763 V CB 2.055 34.078 31.823 0.334 0.000 0.992 763 V HN 0.266 nan 8.190 nan 0.000 0.428 764 V N 4.533 124.597 119.914 0.249 0.000 2.735 764 V HA 0.590 4.709 4.120 -0.001 0.000 0.310 764 V C -1.229 174.954 176.094 0.148 0.000 1.061 764 V CA -0.649 61.711 62.300 0.100 0.000 0.913 764 V CB 2.139 33.905 31.823 -0.095 0.000 1.005 764 V HN 0.744 nan 8.190 nan 0.000 0.428 765 F N 5.612 125.539 119.950 -0.037 0.000 2.518 765 F HA 0.784 5.311 4.527 -0.001 0.000 0.323 765 F C -0.606 175.277 175.800 0.138 0.000 1.129 765 F CA -0.635 57.330 58.000 -0.058 0.000 0.920 765 F CB 1.848 40.559 39.000 -0.481 0.000 1.160 765 F HN 0.338 nan 8.300 nan 0.000 0.440 766 V N 4.870 124.449 119.914 -0.557 0.000 2.577 766 V HA 0.702 4.821 4.120 -0.001 0.000 0.303 766 V C -2.873 172.896 176.094 -0.542 0.000 1.042 766 V CA -2.179 59.912 62.300 -0.348 0.000 0.872 766 V CB 1.407 33.125 31.823 -0.175 0.000 0.998 766 V HN 0.628 nan 8.190 nan 0.000 0.423 767 P HA 0.191 nan 4.420 nan 0.000 0.277 767 P C 0.049 177.266 177.300 -0.138 0.000 1.240 767 P CA -0.203 62.833 63.100 -0.107 0.000 0.798 767 P CB 0.985 32.796 31.700 0.185 0.000 0.979 768 W N 3.129 124.295 121.300 -0.223 0.000 3.239 768 W HA 0.102 4.762 4.660 -0.001 0.000 0.348 768 W C 0.893 177.279 176.519 -0.222 0.000 1.183 768 W CA -0.460 56.733 57.345 -0.253 0.000 1.819 768 W CB -1.753 27.578 29.460 -0.216 0.000 1.091 768 W HN 0.237 nan 8.180 nan 0.000 0.629 769 F N 1.312 120.965 119.950 -0.496 0.000 2.408 769 F HA 0.057 4.583 4.527 -0.001 0.000 0.300 769 F C 0.462 176.072 175.800 -0.317 0.000 1.090 769 F CA 0.559 58.234 58.000 -0.542 0.000 1.427 769 F CB -0.751 37.912 39.000 -0.561 0.000 1.070 769 F HN -0.283 nan 8.300 nan 0.000 0.549 770 D N 1.303 121.345 120.400 -0.597 0.000 2.347 770 D HA 0.325 4.965 4.640 -0.001 0.000 0.235 770 D C 1.144 177.348 176.300 -0.160 0.000 1.149 770 D CA 0.271 54.067 54.000 -0.340 0.000 0.850 770 D CB 1.692 42.187 40.800 -0.509 0.000 1.061 770 D HN 0.205 nan 8.370 nan 0.000 0.487 771 A N 3.051 125.825 122.820 -0.077 0.000 2.067 771 A HA -0.141 4.179 4.320 -0.001 0.000 0.219 771 A C 2.120 179.671 177.584 -0.055 0.000 1.158 771 A CA 1.568 53.579 52.037 -0.043 0.000 0.661 771 A CB -0.282 18.707 19.000 -0.019 0.000 0.801 771 A HN 0.581 nan 8.150 nan 0.000 0.452 772 S N -0.373 115.288 115.700 -0.064 0.000 2.387 772 S HA -0.117 4.352 4.470 -0.001 0.000 0.226 772 S C 1.048 175.603 174.600 -0.075 0.000 1.026 772 S CA 0.915 59.080 58.200 -0.059 0.000 0.972 772 S CB -0.293 62.879 63.200 -0.047 0.000 0.814 772 S HN 0.637 nan 8.310 nan 0.000 0.477 773 Q N 1.524 121.262 119.800 -0.103 0.000 2.834 773 Q HA 0.392 4.732 4.340 -0.001 0.000 0.271 773 Q C -1.124 174.819 176.000 -0.095 0.000 1.196 773 Q CA -0.202 55.535 55.803 -0.110 0.000 1.063 773 Q CB 0.714 29.363 28.738 -0.149 0.000 1.265 773 Q HN 0.508 nan 8.270 nan 0.000 0.526 774 L N 2.743 123.924 121.223 -0.070 0.000 2.505 774 L HA 0.062 4.402 4.340 -0.001 0.000 0.279 774 L C 1.147 177.988 176.870 -0.048 0.000 1.211 774 L CA 0.035 54.846 54.840 -0.048 0.000 1.059 774 L CB -0.300 41.724 42.059 -0.059 0.000 1.340 774 L HN 0.587 nan 8.230 nan 0.000 0.447 775 I N 0.965 121.511 120.570 -0.040 0.000 2.493 775 I HA -0.204 3.965 4.170 -0.001 0.000 0.254 775 I C 1.864 177.957 176.117 -0.040 0.000 1.160 775 I CA 0.694 61.967 61.300 -0.045 0.000 1.445 775 I CB -0.294 37.675 38.000 -0.051 0.000 1.086 775 I HN 0.623 nan 8.210 nan 0.000 0.433 776 N N 1.326 119.998 118.700 -0.045 0.000 2.635 776 N HA -0.111 4.629 4.740 -0.001 0.000 0.191 776 N C 1.479 176.965 175.510 -0.041 0.000 1.155 776 N CA 0.782 53.805 53.050 -0.046 0.000 0.927 776 N CB -0.002 38.437 38.487 -0.080 0.000 0.976 776 N HN 0.494 nan 8.380 nan 0.000 0.448 777 K N -0.161 120.213 120.400 -0.044 0.000 2.167 777 K HA 0.061 4.380 4.320 -0.001 0.000 0.203 777 K C 1.709 178.288 176.600 -0.034 0.000 1.052 777 K CA 0.569 56.829 56.287 -0.045 0.000 0.956 777 K CB 0.287 32.755 32.500 -0.053 0.000 0.735 777 K HN -0.012 nan 8.250 nan 0.000 0.451 778 V N 1.786 121.683 119.914 -0.028 0.000 2.719 778 V HA -0.095 4.024 4.120 -0.001 0.000 0.252 778 V C 0.936 177.014 176.094 -0.025 0.000 1.065 778 V CA 1.046 63.334 62.300 -0.019 0.000 1.086 778 V CB -0.643 31.174 31.823 -0.009 0.000 0.700 778 V HN 0.303 nan 8.190 nan 0.000 0.467 779 T N 2.181 116.721 114.554 -0.023 0.000 2.930 779 T HA 0.385 4.735 4.350 -0.001 0.000 0.306 779 T C -0.441 174.218 174.700 -0.069 0.000 1.045 779 T CA -0.229 61.854 62.100 -0.027 0.000 1.134 779 T CB 1.402 70.277 68.868 0.012 0.000 0.961 779 T HN 0.103 nan 8.240 nan 0.000 0.545 780 L N 2.273 123.441 121.223 -0.092 0.000 2.292 780 L HA 0.303 4.643 4.340 -0.001 0.000 0.284 780 L C 1.169 177.937 176.870 -0.171 0.000 1.065 780 L CA -0.189 54.580 54.840 -0.118 0.000 0.806 780 L CB 0.759 42.749 42.059 -0.115 0.000 1.175 780 L HN 0.611 nan 8.230 nan 0.000 0.431 781 D N 3.351 123.663 120.400 -0.146 0.000 2.417 781 D HA -0.081 4.558 4.640 -0.001 0.000 0.225 781 D C 0.338 176.551 176.300 -0.146 0.000 0.983 781 D CA 0.658 54.572 54.000 -0.142 0.000 0.949 781 D CB 0.126 40.877 40.800 -0.082 0.000 0.879 781 D HN 0.685 nan 8.370 nan 0.000 0.520 782 A N 0.126 122.852 122.820 -0.158 0.000 2.445 782 A HA 0.364 4.683 4.320 -0.001 0.000 0.242 782 A C 0.203 177.727 177.584 -0.099 0.000 1.075 782 A CA -0.117 51.858 52.037 -0.104 0.000 0.777 782 A CB 0.321 19.280 19.000 -0.068 0.000 1.013 782 A HN 0.339 nan 8.150 nan 0.000 0.493 783 N N 0.080 118.750 118.700 -0.050 0.000 2.577 783 N HA 0.368 5.107 4.740 -0.001 0.000 0.285 783 N C -1.555 173.918 175.510 -0.063 0.000 1.309 783 N CA -0.923 52.094 53.050 -0.055 0.000 0.798 783 N CB 1.186 39.643 38.487 -0.050 0.000 1.463 783 N HN 0.711 nan 8.380 nan 0.000 0.518 784 D N 1.428 121.785 120.400 -0.071 0.000 2.339 784 D HA 0.096 4.736 4.640 -0.001 0.000 0.241 784 D C -1.595 174.620 176.300 -0.142 0.000 1.183 784 D CA -1.953 51.966 54.000 -0.135 0.000 0.859 784 D CB 0.946 41.680 40.800 -0.111 0.000 1.067 784 D HN 0.305 nan 8.370 nan 0.000 0.484 785 P HA -0.154 nan 4.420 nan 0.000 0.221 785 P C 1.465 178.704 177.300 -0.102 0.000 1.141 785 P CA 0.921 63.941 63.100 -0.134 0.000 0.794 785 P CB 0.403 32.009 31.700 -0.156 0.000 0.764 786 I N -0.185 120.326 120.570 -0.099 0.000 2.512 786 I HA -0.098 4.072 4.170 -0.001 0.000 0.247 786 I C 2.603 178.683 176.117 -0.062 0.000 1.094 786 I CA 1.523 62.793 61.300 -0.051 0.000 1.427 786 I CB -0.702 37.298 38.000 0.001 0.000 1.149 786 I HN 0.017 nan 8.210 nan 0.000 0.438 787 S N 0.015 115.683 115.700 -0.054 0.000 2.458 787 S HA 0.009 4.478 4.470 -0.001 0.000 0.223 787 S C 1.137 175.706 174.600 -0.052 0.000 1.019 787 S CA -0.068 58.114 58.200 -0.030 0.000 0.937 787 S CB 0.162 63.374 63.200 0.019 0.000 0.788 787 S HN 0.313 nan 8.310 nan 0.000 0.511 788 R N 0.690 121.127 120.500 -0.104 0.000 3.774 788 R HA -0.125 4.214 4.340 -0.001 0.000 0.320 788 R C -0.277 176.000 176.300 -0.039 0.000 1.175 788 R CA 0.958 56.946 56.100 -0.188 0.000 0.849 788 R CB -2.665 27.315 30.300 -0.534 0.000 1.365 788 R HN 0.872 nan 8.270 nan 0.000 0.502 789 Q N 1.068 120.889 119.800 0.035 0.000 2.322 789 Q HA 0.248 4.587 4.340 -0.001 0.000 0.256 789 Q C 0.170 176.209 176.000 0.064 0.000 0.960 789 Q CA 0.069 55.950 55.803 0.130 0.000 0.934 789 Q CB 1.061 29.899 28.738 0.167 0.000 1.200 789 Q HN 0.201 nan 8.270 nan 0.000 0.435 790 T N 1.997 116.572 114.554 0.035 0.000 2.903 790 T HA -0.044 4.305 4.350 -0.001 0.000 0.314 790 T C -0.261 174.232 174.700 -0.344 0.000 1.078 790 T CA -0.299 61.657 62.100 -0.240 0.000 1.114 790 T CB 0.679 69.257 68.868 -0.483 0.000 0.987 790 T HN 0.706 nan 8.240 nan 0.000 0.548 791 D N 2.739 122.915 120.400 -0.373 0.000 2.427 791 D HA 0.224 4.863 4.640 -0.001 0.000 0.226 791 D C -0.175 175.967 176.300 -0.263 0.000 1.076 791 D CA -0.725 53.165 54.000 -0.185 0.000 0.849 791 D CB 0.142 40.905 40.800 -0.061 0.000 1.052 791 D HN 0.568 nan 8.370 nan 0.000 0.515 792 F N 2.070 122.003 119.950 -0.028 0.000 2.727 792 F HA 0.199 4.726 4.527 -0.001 0.000 0.302 792 F C 1.973 177.769 175.800 -0.006 0.000 1.097 792 F CA -0.317 57.644 58.000 -0.065 0.000 1.330 792 F CB 0.474 39.379 39.000 -0.158 0.000 1.084 792 F HN 0.134 nan 8.300 nan 0.000 0.578 793 K N 1.543 122.060 120.400 0.195 0.000 2.444 793 K HA 0.110 4.430 4.320 -0.001 0.000 0.193 793 K C 0.131 176.805 176.600 0.123 0.000 1.024 793 K CA 0.347 56.734 56.287 0.166 0.000 1.077 793 K CB -0.073 32.518 32.500 0.153 0.000 0.833 793 K HN 0.338 nan 8.250 nan 0.000 0.517 794 K N -0.231 120.246 120.400 0.129 0.000 2.583 794 K HA 0.364 4.684 4.320 -0.001 0.000 0.260 794 K C -0.834 175.942 176.600 0.294 0.000 0.931 794 K CA -0.829 55.603 56.287 0.242 0.000 0.849 794 K CB 1.077 33.634 32.500 0.095 0.000 1.347 794 K HN 0.065 nan 8.250 nan 0.000 0.425 795 C N -1.091 118.437 119.300 0.380 0.000 3.253 795 C HA 0.829 5.289 4.460 -0.001 0.000 0.342 795 C C -0.759 174.300 174.990 0.115 0.000 1.306 795 C CA -0.623 58.498 59.018 0.170 0.000 1.207 795 C CB 0.901 28.675 27.740 0.055 0.000 1.479 795 C HN 1.126 nan 8.230 nan 0.000 0.469 796 A N 1.078 123.864 122.820 -0.057 0.000 2.331 796 A HA 0.800 5.120 4.320 -0.001 0.000 0.283 796 A C -0.431 177.179 177.584 0.043 0.000 1.142 796 A CA -0.335 51.658 52.037 -0.073 0.000 0.812 796 A CB 0.468 19.379 19.000 -0.148 0.000 1.074 796 A HN 1.750 nan 8.150 nan 0.000 0.497 797 V N 2.255 122.295 119.914 0.210 0.000 2.971 797 V HA 0.460 4.580 4.120 -0.001 0.000 0.309 797 V C -0.202 176.128 176.094 0.393 0.000 1.130 797 V CA -0.814 61.670 62.300 0.308 0.000 0.964 797 V CB 2.282 34.221 31.823 0.194 0.000 1.029 797 V HN 0.984 nan 8.190 nan 0.000 0.427 798 K N 2.623 123.239 120.400 0.360 0.000 2.203 798 K HA 0.790 5.109 4.320 -0.001 0.000 0.251 798 K C -1.602 175.092 176.600 0.156 0.000 0.944 798 K CA -0.722 55.693 56.287 0.213 0.000 0.829 798 K CB 1.839 34.301 32.500 -0.064 0.000 1.125 798 K HN 0.589 nan 8.250 nan 0.000 0.430 799 I N 2.550 123.218 120.570 0.164 0.000 2.447 799 I HA 0.320 4.489 4.170 -0.001 0.000 0.287 799 I C -0.419 175.727 176.117 0.049 0.000 1.023 799 I CA -0.609 60.727 61.300 0.060 0.000 1.083 799 I CB 1.885 39.853 38.000 -0.054 0.000 1.245 799 I HN 0.470 nan 8.210 nan 0.000 0.434 800 E N 4.211 124.418 120.200 0.013 0.000 2.369 800 E HA 0.911 5.261 4.350 -0.001 0.000 0.270 800 E C -1.220 175.375 176.600 -0.008 0.000 0.909 800 E CA -0.805 55.598 56.400 0.004 0.000 0.775 800 E CB 3.154 32.851 29.700 -0.005 0.000 1.270 800 E HN 0.728 nan 8.360 nan 0.000 0.445 801 A N 0.000 122.815 122.820 -0.008 0.000 2.254 801 A HA 0.000 4.319 4.320 -0.001 0.000 0.244 801 A CA 0.000 nan 52.037 nan 0.000 0.836 801 A CB 0.000 18.999 19.000 -0.001 0.000 0.831 801 A HN 0.000 nan 8.150 nan 0.000 0.486