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 1sqj_1_B DATA FIRST_RESID 3 DATA SEQUENCE HYEFKNVAIG GGGYITGIVA HPKTKDLLYA RTDIGGAYRW DAGTSKWIPL DATA SEQUENCE NDFIEAQDMN IMGTESIALD PNNPDRLYLA QGRYVGDEWA AFYVSEDRGQ DATA SEQUENCE SFTIYESPFP MGANDMGRNN GERLAVNPFN SNEVWMGTRT EGIWKSSDRA DATA SEQUENCE KTWTNVTSIP DAFTNGIGYT SVIFDPERNG TIYASATAPQ GMYVTHDGGV DATA SEQUENCE SWEPVAGQPS SWLNRTTGAF PDKKPASIAP QPMKVALTPN FLYVTYADYP DATA SEQUENCE GPWGVTFGEV WRQNRTSGAW DDITPRVGNS SPAPYNNQTF PAGGFCGLSV DATA SEQUENCE DATNPNRLVV ITLDRDPGPA LDSIYLSTDA GATWKDVTQL SSPSNLEGNW DATA SEQUENCE GHPTNAARYK DGTPVPWLDF NNGPQWGGYG APHGTPGLTK FGWWMSAVLI DATA SEQUENCE DPFNPEHLMY GTGATIWATD TLSRVEKDWA PSWYLQIDGI EENAILSLRS DATA SEQUENCE PKSGAALLSG IGDISGMKHD DLTKPQKMFG APQFSNLDSI DAAGNFPNVV DATA SEQUENCE VRAGSSGHEY DSAcARGAYA TDGGDAWTIF PTcPPGMNAS HYQGSTIAVD DATA SEQUENCE ASGSQIVWST KLDEQASGPW YSHDYGKTWS VPAGDLKAQT ANVLSDKVQD DATA SEQUENCE GTFYATDGGK FFVSTDGGKS YAAKGAGLVT GTSLMPAVNP WVAGDVWVPV DATA SEQUENCE PEGGLFHSTD FGASFTRVGT ANATLVSVGA PKSXXXXXXX SAPSAVFIWG DATA SEQUENCE TDKPGSDIGL YRSDDNGSTW TRVNDQEHNY SGPTMIEADP KVYGRVYLGT DATA SEQUENCE NGRGIVYADL TXXXXXXXKS TAKcANGQKG THcYV 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 3 H HA 0.000 nan 4.556 nan 0.000 0.296 3 H C 0.000 175.228 175.328 -0.167 0.000 0.993 3 H CA 0.000 56.008 56.048 -0.066 0.000 1.023 3 H CB 0.000 29.734 29.762 -0.047 0.000 1.292 4 Y N 1.609 121.958 120.300 0.081 0.000 2.376 4 Y HA 0.365 4.915 4.550 0.000 0.000 0.325 4 Y C 0.556 176.453 175.900 -0.006 0.000 1.199 4 Y CA -0.090 57.986 58.100 -0.039 0.000 1.206 4 Y CB 1.609 40.000 38.460 -0.115 0.000 1.229 4 Y HN 0.493 nan 8.280 nan 0.000 0.480 5 E N 2.822 123.055 120.200 0.056 0.000 2.275 5 E HA 0.331 4.681 4.350 0.000 0.000 0.270 5 E C -1.910 174.593 176.600 -0.162 0.000 0.882 5 E CA -0.639 55.785 56.400 0.040 0.000 0.758 5 E CB 1.240 30.946 29.700 0.010 0.000 1.195 5 E HN 0.469 nan 8.360 nan 0.000 0.419 6 F N 2.957 122.914 119.950 0.011 0.000 2.427 6 F HA 0.453 4.981 4.527 0.000 0.000 0.346 6 F C 0.424 176.160 175.800 -0.106 0.000 1.120 6 F CA -0.551 57.425 58.000 -0.039 0.000 1.033 6 F CB 1.383 40.499 39.000 0.194 0.000 1.126 6 F HN 0.097 nan 8.300 nan 0.000 0.462 7 K N 1.686 121.938 120.400 -0.248 0.000 2.400 7 K HA 0.421 4.741 4.320 0.000 0.000 0.246 7 K C -1.212 175.277 176.600 -0.185 0.000 0.995 7 K CA -1.283 54.864 56.287 -0.233 0.000 0.840 7 K CB 1.956 34.252 32.500 -0.340 0.000 1.293 7 K HN 0.436 nan 8.250 nan 0.000 0.445 8 N N -0.059 118.662 118.700 0.036 0.000 2.509 8 N HA 0.181 4.921 4.740 0.000 0.000 0.287 8 N C -0.935 174.761 175.510 0.310 0.000 1.121 8 N CA -0.439 52.692 53.050 0.134 0.000 0.977 8 N CB 1.133 39.697 38.487 0.128 0.000 1.167 8 N HN 0.156 nan 8.380 nan 0.000 0.476 9 V N 1.751 121.857 119.914 0.321 0.000 2.599 9 V HA 0.157 4.277 4.120 0.000 0.000 0.300 9 V C 0.523 176.708 176.094 0.152 0.000 1.034 9 V CA -0.404 62.004 62.300 0.180 0.000 1.115 9 V CB 0.175 31.941 31.823 -0.095 0.000 0.934 9 V HN 0.761 nan 8.190 nan 0.000 0.485 10 A N 6.034 128.965 122.820 0.184 0.000 2.409 10 A HA 0.631 4.951 4.320 0.000 0.000 0.267 10 A C 0.588 178.305 177.584 0.222 0.000 1.127 10 A CA -0.118 52.047 52.037 0.213 0.000 0.795 10 A CB 0.057 19.191 19.000 0.223 0.000 1.061 10 A HN 0.848 nan 8.150 nan 0.000 0.502 11 I N 1.443 122.158 120.570 0.242 0.000 3.814 11 I HA 0.355 4.525 4.170 0.000 0.000 0.264 11 I C 1.104 177.538 176.117 0.527 0.000 1.145 11 I CA 0.615 62.081 61.300 0.276 0.000 1.375 11 I CB 0.407 38.430 38.000 0.038 0.000 1.638 11 I HN 0.898 nan 8.210 nan 0.000 0.432 12 G N 1.564 110.611 108.800 0.411 0.000 3.002 12 G HA2 0.255 4.215 3.960 0.000 0.000 0.224 12 G HA3 0.255 4.215 3.960 0.000 0.000 0.224 12 G C 0.476 175.600 174.900 0.372 0.000 1.013 12 G CA -0.093 45.265 45.100 0.430 0.000 1.200 12 G HN 0.972 nan 8.290 nan 0.000 0.589 13 G N 0.432 109.355 108.800 0.205 0.000 3.594 13 G HA2 0.365 4.325 3.960 0.000 0.000 0.285 13 G HA3 0.365 4.325 3.960 0.000 0.000 0.285 13 G C 1.620 176.615 174.900 0.158 0.000 1.551 13 G CA 2.390 47.564 45.100 0.124 0.000 1.061 13 G HN 2.743 nan 8.290 nan 0.000 0.624 14 G N -0.688 108.281 108.800 0.282 0.000 2.199 14 G HA2 0.349 4.309 3.960 0.000 0.000 0.254 14 G HA3 0.349 4.309 3.960 0.000 0.000 0.254 14 G C 1.548 176.536 174.900 0.146 0.000 0.982 14 G CA 1.190 46.357 45.100 0.112 0.000 0.632 14 G HN 2.490 nan 8.290 nan 0.000 0.529 15 G N -1.658 107.243 108.800 0.169 0.000 3.022 15 G HA2 0.572 4.532 3.960 0.000 0.000 0.284 15 G HA3 0.572 4.532 3.960 0.000 0.000 0.284 15 G C -1.166 173.882 174.900 0.247 0.000 1.375 15 G CA -0.576 44.643 45.100 0.198 0.000 0.902 15 G HN 0.720 nan 8.290 nan 0.000 0.538 16 Y N 1.253 121.641 120.300 0.147 0.000 2.436 16 Y HA 0.421 4.971 4.550 0.000 0.000 0.336 16 Y C 0.143 176.102 175.900 0.097 0.000 1.049 16 Y CA -1.692 56.517 58.100 0.181 0.000 1.294 16 Y CB 0.322 38.998 38.460 0.360 0.000 1.179 16 Y HN 0.085 nan 8.280 nan 0.000 0.520 17 I N 7.295 127.862 120.570 -0.004 0.000 2.304 17 I HA 0.072 4.243 4.170 0.000 0.000 0.291 17 I C 1.120 176.991 176.117 -0.410 0.000 1.018 17 I CA 0.004 61.188 61.300 -0.194 0.000 1.260 17 I CB 1.018 38.942 38.000 -0.126 0.000 1.390 17 I HN 0.723 nan 8.210 nan 0.000 0.475 18 T N 1.484 115.775 114.554 -0.438 0.000 3.044 18 T HA 0.351 4.702 4.350 0.000 0.000 0.250 18 T C 0.727 175.315 174.700 -0.186 0.000 1.081 18 T CA -0.155 61.678 62.100 -0.445 0.000 1.040 18 T CB 0.581 69.198 68.868 -0.418 0.000 0.962 18 T HN 0.716 nan 8.240 nan 0.000 0.506 19 G N 0.528 109.256 108.800 -0.120 0.000 2.702 19 G HA2 0.591 4.551 3.960 0.000 0.000 0.296 19 G HA3 0.591 4.551 3.960 0.000 0.000 0.296 19 G C -1.976 172.921 174.900 -0.004 0.000 1.463 19 G CA -0.977 44.105 45.100 -0.030 0.000 0.890 19 G HN 0.323 nan 8.290 nan 0.000 0.534 20 I N 1.168 121.771 120.570 0.054 0.000 2.500 20 I HA 0.422 4.592 4.170 0.000 0.000 0.286 20 I C -0.599 175.618 176.117 0.166 0.000 1.063 20 I CA -0.943 60.422 61.300 0.107 0.000 1.062 20 I CB 2.254 40.305 38.000 0.086 0.000 1.223 20 I HN 0.223 nan 8.210 nan 0.000 0.435 21 V N 4.761 124.822 119.914 0.246 0.000 2.555 21 V HA 0.807 4.927 4.120 0.000 0.000 0.302 21 V C 0.049 176.334 176.094 0.318 0.000 1.038 21 V CA -0.528 61.926 62.300 0.257 0.000 0.887 21 V CB 1.891 33.869 31.823 0.260 0.000 0.991 21 V HN 0.788 nan 8.190 nan 0.000 0.434 22 A N 2.616 125.595 122.820 0.265 0.000 2.330 22 A HA 0.607 4.927 4.320 0.000 0.000 0.327 22 A C -0.397 177.369 177.584 0.303 0.000 1.155 22 A CA -0.578 51.634 52.037 0.292 0.000 0.803 22 A CB 0.690 19.840 19.000 0.251 0.000 1.208 22 A HN 0.913 nan 8.150 nan 0.000 0.477 23 H N 3.989 123.233 119.070 0.289 0.000 2.886 23 H HA 0.097 4.653 4.556 0.000 0.000 0.329 23 H C -1.411 174.107 175.328 0.316 0.000 1.044 23 H CA -0.760 55.451 56.048 0.272 0.000 1.456 23 H CB 1.381 31.284 29.762 0.235 0.000 1.464 23 H HN 0.436 nan 8.280 nan 0.000 0.573 24 P HA -0.081 nan 4.420 nan 0.000 0.226 24 P C 0.432 178.006 177.300 0.456 0.000 1.153 24 P CA 1.042 64.257 63.100 0.192 0.000 0.777 24 P CB 0.603 32.311 31.700 0.014 0.000 0.794 25 K N -1.304 119.501 120.400 0.674 0.000 2.477 25 K HA 0.208 4.528 4.320 0.000 0.000 0.208 25 K C 0.085 176.881 176.600 0.327 0.000 1.117 25 K CA 0.388 57.015 56.287 0.568 0.000 1.039 25 K CB 0.995 33.719 32.500 0.373 0.000 0.937 25 K HN 0.044 nan 8.250 nan 0.000 0.570 26 T N 1.927 116.595 114.554 0.190 0.000 2.864 26 T HA 0.216 4.566 4.350 0.000 0.000 0.299 26 T C -0.355 174.035 174.700 -0.517 0.000 1.011 26 T CA -0.580 61.376 62.100 -0.239 0.000 0.975 26 T CB 2.269 71.001 68.868 -0.228 0.000 0.962 26 T HN -0.038 nan 8.240 nan 0.000 0.448 27 K N 2.564 122.313 120.400 -1.086 0.000 2.524 27 K HA -0.032 4.288 4.320 0.000 0.000 0.279 27 K C 0.065 176.511 176.600 -0.257 0.000 0.993 27 K CA 0.460 56.200 56.287 -0.912 0.000 1.030 27 K CB 0.178 32.264 32.500 -0.691 0.000 0.891 27 K HN 0.610 nan 8.250 nan 0.000 0.488 28 D N 0.988 121.369 120.400 -0.033 0.000 3.077 28 D HA -0.224 4.416 4.640 0.000 0.000 0.217 28 D C -0.451 175.920 176.300 0.120 0.000 1.162 28 D CA 0.808 54.873 54.000 0.107 0.000 0.943 28 D CB -0.908 39.962 40.800 0.118 0.000 1.122 28 D HN 0.298 nan 8.370 nan 0.000 0.413 29 L N 1.289 122.556 121.223 0.074 0.000 2.302 29 L HA 0.367 4.707 4.340 0.000 0.000 0.285 29 L C -0.447 176.504 176.870 0.135 0.000 1.090 29 L CA -0.062 54.818 54.840 0.066 0.000 0.866 29 L CB 0.050 42.159 42.059 0.082 0.000 1.244 29 L HN 0.028 nan 8.230 nan 0.000 0.435 30 L N 4.646 125.899 121.223 0.050 0.000 2.354 30 L HA 0.594 4.934 4.340 0.000 0.000 0.269 30 L C -1.118 175.804 176.870 0.087 0.000 1.005 30 L CA -0.890 54.049 54.840 0.165 0.000 0.819 30 L CB 1.754 43.901 42.059 0.147 0.000 1.311 30 L HN 0.321 nan 8.230 nan 0.000 0.423 31 Y N 0.190 120.786 120.300 0.493 0.000 2.576 31 Y HA 0.792 5.342 4.550 0.000 0.000 0.346 31 Y C -0.057 176.080 175.900 0.396 0.000 1.018 31 Y CA -0.870 57.552 58.100 0.536 0.000 1.050 31 Y CB 2.380 41.058 38.460 0.362 0.000 1.280 31 Y HN 0.627 nan 8.280 nan 0.000 0.474 32 A N 2.027 125.065 122.820 0.363 0.000 2.414 32 A HA 0.883 5.203 4.320 0.000 0.000 0.306 32 A C -1.102 176.529 177.584 0.078 0.000 1.054 32 A CA -1.061 50.971 52.037 -0.009 0.000 0.724 32 A CB 1.350 19.978 19.000 -0.620 0.000 1.267 32 A HN 0.822 nan 8.150 nan 0.000 0.418 33 R N 0.186 120.693 120.500 0.012 0.000 2.732 33 R HA 0.862 5.202 4.340 0.000 0.000 0.278 33 R C -0.479 175.776 176.300 -0.075 0.000 0.976 33 R CA -0.254 55.843 56.100 -0.005 0.000 0.963 33 R CB 1.607 31.896 30.300 -0.018 0.000 1.150 33 R HN 0.726 nan 8.270 nan 0.000 0.478 34 T N -2.557 111.958 114.554 -0.064 0.000 2.883 34 T HA 0.200 4.550 4.350 0.000 0.000 0.296 34 T C 0.059 174.702 174.700 -0.095 0.000 1.117 34 T CA -0.658 61.390 62.100 -0.086 0.000 1.006 34 T CB 1.755 70.627 68.868 0.007 0.000 1.191 34 T HN 0.656 nan 8.240 nan 0.000 0.508 35 D N 0.807 121.164 120.400 -0.072 0.000 2.162 35 D HA -0.003 4.637 4.640 0.000 0.000 0.203 35 D C 1.515 177.774 176.300 -0.069 0.000 0.967 35 D CA 1.093 55.058 54.000 -0.058 0.000 0.840 35 D CB -0.362 40.466 40.800 0.047 0.000 0.972 35 D HN 0.772 nan 8.370 nan 0.000 0.482 36 I N -4.611 115.950 120.570 -0.016 0.000 4.225 36 I HA 0.577 4.747 4.170 0.000 0.000 0.327 36 I C 1.129 177.233 176.117 -0.021 0.000 1.422 36 I CA -0.423 60.858 61.300 -0.030 0.000 1.150 36 I CB 1.145 39.165 38.000 0.033 0.000 1.192 36 I HN -0.023 nan 8.210 nan 0.000 0.440 37 G N 0.580 109.375 108.800 -0.007 0.000 3.839 37 G HA2 0.570 4.531 3.960 0.000 0.000 0.286 37 G HA3 0.570 4.531 3.960 0.000 0.000 0.286 37 G C 0.701 175.582 174.900 -0.032 0.000 1.005 37 G CA 0.106 45.221 45.100 0.025 0.000 0.824 37 G HN 0.737 nan 8.290 nan 0.000 0.489 38 G N -0.083 108.652 108.800 -0.108 0.000 2.601 38 G HA2 0.310 4.270 3.960 0.000 0.000 0.252 38 G HA3 0.310 4.270 3.960 0.000 0.000 0.252 38 G C 0.267 175.096 174.900 -0.117 0.000 1.294 38 G CA -0.188 44.805 45.100 -0.178 0.000 0.912 38 G HN 1.486 nan 8.290 nan 0.000 0.574 39 A N -1.120 121.615 122.820 -0.142 0.000 2.330 39 A HA 0.904 5.224 4.320 0.000 0.000 0.329 39 A C -0.994 176.566 177.584 -0.040 0.000 1.135 39 A CA -0.390 51.658 52.037 0.017 0.000 0.817 39 A CB 1.295 20.356 19.000 0.102 0.000 1.269 39 A HN 1.327 nan 8.150 nan 0.000 0.469 40 Y N -0.462 119.981 120.300 0.237 0.000 2.492 40 Y HA 0.588 5.139 4.550 0.000 0.000 0.346 40 Y C 0.235 176.476 175.900 0.568 0.000 0.997 40 Y CA -0.545 57.764 58.100 0.349 0.000 1.025 40 Y CB 2.097 40.721 38.460 0.274 0.000 1.263 40 Y HN 0.790 nan 8.280 nan 0.000 0.454 41 R N 3.244 124.124 120.500 0.633 0.000 2.393 41 R HA 0.199 4.539 4.340 0.000 0.000 0.310 41 R C -0.981 175.500 176.300 0.302 0.000 0.968 41 R CA -0.553 55.745 56.100 0.329 0.000 0.867 41 R CB 0.889 31.272 30.300 0.138 0.000 1.124 41 R HN 0.887 nan 8.270 nan 0.000 0.450 42 W N 5.086 126.281 121.300 -0.174 0.000 2.216 42 W HA 0.117 4.777 4.660 0.000 0.000 0.326 42 W C -1.156 175.142 176.519 -0.368 0.000 1.319 42 W CA 0.087 57.064 57.345 -0.614 0.000 1.213 42 W CB 0.975 29.828 29.460 -1.011 0.000 1.171 42 W HN 0.629 nan 8.180 nan 0.000 0.557 43 D N 4.071 123.840 120.400 -1.051 0.000 2.453 43 D HA 0.418 5.059 4.640 0.000 0.000 0.238 43 D C 0.862 176.428 176.300 -1.223 0.000 1.088 43 D CA -0.108 53.385 54.000 -0.844 0.000 0.854 43 D CB 1.653 42.148 40.800 -0.508 0.000 1.076 43 D HN 0.359 nan 8.370 nan 0.000 0.533 44 A N 2.928 125.255 122.820 -0.822 0.000 2.015 44 A HA 0.054 4.374 4.320 0.000 0.000 0.219 44 A C 2.030 179.393 177.584 -0.367 0.000 1.163 44 A CA 1.442 53.169 52.037 -0.516 0.000 0.646 44 A CB -0.576 18.344 19.000 -0.134 0.000 0.806 44 A HN 0.628 nan 8.150 nan 0.000 0.448 45 G N -0.555 108.050 108.800 -0.324 0.000 2.408 45 G HA2 -0.100 3.860 3.960 0.000 0.000 0.217 45 G HA3 -0.100 3.860 3.960 0.000 0.000 0.217 45 G C 1.498 176.256 174.900 -0.237 0.000 1.150 45 G CA 1.754 46.719 45.100 -0.224 0.000 0.776 45 G HN 0.679 nan 8.290 nan 0.000 0.542 46 T N -2.453 111.904 114.554 -0.328 0.000 3.069 46 T HA 0.282 4.632 4.350 0.000 0.000 0.252 46 T C 1.093 175.575 174.700 -0.365 0.000 1.053 46 T CA 0.728 62.657 62.100 -0.285 0.000 0.964 46 T CB 0.068 68.792 68.868 -0.240 0.000 1.005 46 T HN 0.228 nan 8.240 nan 0.000 0.532 47 S N 1.420 116.773 115.700 -0.578 0.000 3.550 47 S HA -0.151 4.319 4.470 0.000 0.000 0.372 47 S C -0.275 173.908 174.600 -0.696 0.000 0.966 47 S CA 0.623 58.404 58.200 -0.698 0.000 1.229 47 S CB -1.594 61.537 63.200 -0.115 0.000 0.917 47 S HN 0.775 nan 8.310 nan 0.000 0.496 48 K N -0.745 119.087 120.400 -0.947 0.000 2.502 48 K HA 0.457 4.777 4.320 0.000 0.000 0.257 48 K C -0.797 175.559 176.600 -0.406 0.000 0.938 48 K CA -0.744 55.283 56.287 -0.433 0.000 0.819 48 K CB 1.287 33.660 32.500 -0.211 0.000 1.333 48 K HN 0.197 nan 8.250 nan 0.000 0.434 49 W N 2.316 123.656 121.300 0.066 0.000 2.251 49 W HA 0.403 5.063 4.660 0.000 0.000 0.329 49 W C 0.091 176.735 176.519 0.209 0.000 1.234 49 W CA -0.324 57.134 57.345 0.188 0.000 1.228 49 W CB 0.462 29.989 29.460 0.112 0.000 1.135 49 W HN 0.245 nan 8.180 nan 0.000 0.576 50 I N 5.396 126.280 120.570 0.523 0.000 2.406 50 I HA 0.251 4.421 4.170 0.000 0.000 0.290 50 I C -1.874 174.477 176.117 0.390 0.000 0.999 50 I CA -2.485 59.037 61.300 0.369 0.000 1.124 50 I CB 1.730 39.836 38.000 0.176 0.000 1.289 50 I HN -0.002 nan 8.210 nan 0.000 0.441 51 P HA 0.155 nan 4.420 nan 0.000 0.275 51 P C -0.159 177.087 177.300 -0.089 0.000 1.227 51 P CA -0.044 62.891 63.100 -0.276 0.000 0.781 51 P CB 1.248 32.833 31.700 -0.191 0.000 0.906 52 L N 1.645 122.801 121.223 -0.111 0.000 2.966 52 L HA 0.309 4.649 4.340 0.000 0.000 0.262 52 L C 0.844 177.706 176.870 -0.013 0.000 1.165 52 L CA 0.297 55.218 54.840 0.135 0.000 0.978 52 L CB -0.297 41.998 42.059 0.393 0.000 1.337 52 L HN 0.287 nan 8.230 nan 0.000 0.563 53 N N -0.643 117.826 118.700 -0.384 0.000 2.291 53 N HA 0.045 4.785 4.740 0.000 0.000 0.244 53 N C 0.122 175.039 175.510 -0.987 0.000 1.216 53 N CA -0.208 52.327 53.050 -0.858 0.000 0.879 53 N CB 0.642 38.830 38.487 -0.499 0.000 1.167 53 N HN 0.036 nan 8.380 nan 0.000 0.515 54 D N 0.490 120.463 120.400 -0.713 0.000 2.378 54 D HA -0.072 4.568 4.640 0.000 0.000 0.227 54 D C 1.196 177.131 176.300 -0.609 0.000 1.012 54 D CA 0.538 54.158 54.000 -0.633 0.000 0.905 54 D CB -0.021 40.394 40.800 -0.642 0.000 0.895 54 D HN 0.513 nan 8.370 nan 0.000 0.532 55 F N -0.294 119.520 119.950 -0.227 0.000 2.661 55 F HA 0.178 4.705 4.527 0.000 0.000 0.298 55 F C 0.995 176.747 175.800 -0.080 0.000 1.137 55 F CA -0.395 57.506 58.000 -0.164 0.000 1.454 55 F CB -0.725 38.208 39.000 -0.112 0.000 1.103 55 F HN -0.237 nan 8.300 nan 0.000 0.577 56 I N 2.281 122.745 120.570 -0.176 0.000 2.683 56 I HA -0.045 4.125 4.170 0.000 0.000 0.286 56 I C 0.440 176.610 176.117 0.088 0.000 1.175 56 I CA 0.395 61.724 61.300 0.048 0.000 1.429 56 I CB 0.375 38.336 38.000 -0.065 0.000 1.371 56 I HN 0.225 nan 8.210 nan 0.000 0.569 57 E N 4.124 124.431 120.200 0.178 0.000 2.349 57 E HA 0.237 4.587 4.350 0.000 0.000 0.262 57 E C 0.970 177.668 176.600 0.163 0.000 1.088 57 E CA -0.165 56.346 56.400 0.185 0.000 0.899 57 E CB 0.928 30.744 29.700 0.192 0.000 1.044 57 E HN 0.722 nan 8.360 nan 0.000 0.420 58 A N 2.079 125.029 122.820 0.216 0.000 1.927 58 A HA -0.318 4.002 4.320 0.000 0.000 0.220 58 A C 2.023 179.681 177.584 0.123 0.000 1.185 58 A CA 2.263 54.399 52.037 0.165 0.000 0.639 58 A CB -0.782 18.412 19.000 0.324 0.000 0.820 58 A HN 0.775 nan 8.150 nan 0.000 0.451 59 Q N -1.421 118.450 119.800 0.118 0.000 2.436 59 Q HA -0.070 4.270 4.340 0.000 0.000 0.209 59 Q C -0.311 175.763 176.000 0.124 0.000 0.965 59 Q CA 1.284 57.123 55.803 0.060 0.000 0.910 59 Q CB -0.072 28.619 28.738 -0.079 0.000 0.980 59 Q HN 0.501 nan 8.270 nan 0.000 0.491 60 D N 0.585 121.095 120.400 0.183 0.000 2.643 60 D HA 0.104 4.744 4.640 0.000 0.000 0.244 60 D C 0.858 177.214 176.300 0.095 0.000 1.257 60 D CA -0.145 54.004 54.000 0.249 0.000 0.831 60 D CB 0.342 41.383 40.800 0.402 0.000 1.043 60 D HN 0.313 nan 8.370 nan 0.000 0.488 61 M N 0.536 120.176 119.600 0.068 0.000 2.202 61 M HA -0.159 4.321 4.480 0.000 0.000 0.262 61 M C 0.651 176.938 176.300 -0.021 0.000 1.063 61 M CA 1.305 56.617 55.300 0.021 0.000 1.097 61 M CB 0.170 32.788 32.600 0.031 0.000 1.382 61 M HN -0.115 nan 8.290 nan 0.000 0.413 62 N N 0.560 119.249 118.700 -0.019 0.000 2.521 62 N HA 0.011 4.751 4.740 0.000 0.000 0.188 62 N C 1.168 176.539 175.510 -0.231 0.000 1.146 62 N CA 0.565 53.566 53.050 -0.081 0.000 0.893 62 N CB -0.067 38.429 38.487 0.017 0.000 0.975 62 N HN 0.416 nan 8.380 nan 0.000 0.451 63 I N -0.147 120.273 120.570 -0.249 0.000 3.226 63 I HA 0.050 4.220 4.170 0.000 0.000 0.277 63 I C 0.932 176.853 176.117 -0.327 0.000 1.243 63 I CA 0.229 61.298 61.300 -0.384 0.000 1.459 63 I CB -0.681 37.074 38.000 -0.408 0.000 1.093 63 I HN 0.079 nan 8.210 nan 0.000 0.453 64 M N 2.337 121.804 119.600 -0.221 0.000 3.042 64 M HA 0.448 4.928 4.480 0.000 0.000 0.283 64 M C 0.013 176.185 176.300 -0.213 0.000 1.473 64 M CA -0.074 55.104 55.300 -0.203 0.000 1.583 64 M CB -0.948 31.574 32.600 -0.131 0.000 1.221 64 M HN 0.145 nan 8.290 nan 0.000 0.518 65 G N 1.828 110.467 108.800 -0.268 0.000 2.289 65 G HA2 0.312 4.272 3.960 0.000 0.000 0.315 65 G HA3 0.312 4.272 3.960 0.000 0.000 0.315 65 G C -1.300 173.430 174.900 -0.284 0.000 1.587 65 G CA -0.879 44.069 45.100 -0.252 0.000 0.949 65 G HN 0.303 nan 8.290 nan 0.000 0.626 66 T N 1.935 116.357 114.554 -0.221 0.000 2.781 66 T HA 0.297 4.648 4.350 0.000 0.000 0.305 66 T C 1.217 175.816 174.700 -0.169 0.000 1.001 66 T CA -0.208 61.766 62.100 -0.210 0.000 0.950 66 T CB 1.827 70.612 68.868 -0.138 0.000 0.955 66 T HN 0.720 nan 8.240 nan 0.000 0.471 67 E N 3.162 123.249 120.200 -0.188 0.000 2.047 67 E HA -0.012 4.338 4.350 0.000 0.000 0.191 67 E C 0.644 177.202 176.600 -0.070 0.000 0.987 67 E CA 0.679 56.994 56.400 -0.141 0.000 0.799 67 E CB 0.320 29.922 29.700 -0.163 0.000 0.752 67 E HN 0.472 nan 8.360 nan 0.000 0.449 68 S N -1.280 114.399 115.700 -0.034 0.000 2.537 68 S HA 0.512 4.982 4.470 0.000 0.000 0.270 68 S C -1.303 173.351 174.600 0.089 0.000 1.142 68 S CA -0.907 57.320 58.200 0.045 0.000 0.870 68 S CB 0.737 63.994 63.200 0.096 0.000 1.112 68 S HN 0.216 nan 8.310 nan 0.000 0.466 69 I N 2.836 123.475 120.570 0.115 0.000 2.412 69 I HA 0.736 4.906 4.170 0.000 0.000 0.296 69 I C 0.018 176.249 176.117 0.191 0.000 0.987 69 I CA -0.687 60.701 61.300 0.146 0.000 1.180 69 I CB 1.826 39.902 38.000 0.127 0.000 1.340 69 I HN 0.709 nan 8.210 nan 0.000 0.455 70 A N 7.213 130.180 122.820 0.244 0.000 2.393 70 A HA 0.866 5.186 4.320 0.000 0.000 0.306 70 A C -1.023 176.740 177.584 0.298 0.000 1.050 70 A CA -0.497 51.701 52.037 0.270 0.000 0.724 70 A CB 1.243 20.421 19.000 0.297 0.000 1.248 70 A HN 0.645 nan 8.150 nan 0.000 0.424 71 L N 1.090 122.460 121.223 0.246 0.000 2.322 71 L HA 0.525 4.865 4.340 0.000 0.000 0.269 71 L C -0.605 176.407 176.870 0.237 0.000 1.012 71 L CA -1.003 53.995 54.840 0.265 0.000 0.815 71 L CB 1.824 44.038 42.059 0.258 0.000 1.295 71 L HN 0.688 nan 8.230 nan 0.000 0.438 72 D N 2.391 122.968 120.400 0.295 0.000 2.329 72 D HA 0.220 4.860 4.640 0.000 0.000 0.232 72 D C -1.823 174.607 176.300 0.216 0.000 1.088 72 D CA -2.015 52.121 54.000 0.227 0.000 0.835 72 D CB 2.030 42.997 40.800 0.278 0.000 1.078 72 D HN 0.173 nan 8.370 nan 0.000 0.495 73 P HA -0.081 nan 4.420 nan 0.000 0.222 73 P C 0.648 178.044 177.300 0.161 0.000 1.147 73 P CA 0.792 63.900 63.100 0.013 0.000 0.790 73 P CB 0.527 32.190 31.700 -0.062 0.000 0.780 74 N N -0.598 118.166 118.700 0.107 0.000 2.325 74 N HA 0.023 4.763 4.740 0.000 0.000 0.182 74 N C -0.099 175.474 175.510 0.106 0.000 1.088 74 N CA 0.390 53.489 53.050 0.082 0.000 0.879 74 N CB -0.005 38.490 38.487 0.014 0.000 0.983 74 N HN 0.216 nan 8.380 nan 0.000 0.471 75 N N 0.387 119.181 118.700 0.156 0.000 2.716 75 N HA 0.225 4.965 4.740 0.000 0.000 0.253 75 N C -2.247 173.339 175.510 0.127 0.000 1.170 75 N CA -1.139 51.980 53.050 0.116 0.000 0.807 75 N CB 2.149 40.698 38.487 0.102 0.000 1.183 75 N HN -0.123 nan 8.380 nan 0.000 0.524 76 P HA -0.135 nan 4.420 nan 0.000 0.221 76 P C 0.269 177.526 177.300 -0.071 0.000 1.145 76 P CA 1.123 64.072 63.100 -0.252 0.000 0.795 76 P CB 0.333 31.814 31.700 -0.366 0.000 0.775 77 D N -1.517 118.879 120.400 -0.006 0.000 2.349 77 D HA 0.035 4.676 4.640 0.000 0.000 0.215 77 D C 0.776 177.087 176.300 0.019 0.000 1.016 77 D CA 0.372 54.377 54.000 0.008 0.000 0.870 77 D CB 0.075 40.866 40.800 -0.014 0.000 0.917 77 D HN 0.244 nan 8.370 nan 0.000 0.524 78 R N 0.529 121.055 120.500 0.042 0.000 2.490 78 R HA 0.497 4.837 4.340 0.000 0.000 0.278 78 R C -0.460 175.824 176.300 -0.026 0.000 1.069 78 R CA -0.585 55.500 56.100 -0.024 0.000 1.080 78 R CB 1.366 31.691 30.300 0.042 0.000 1.030 78 R HN -0.072 nan 8.270 nan 0.000 0.491 79 L N 2.377 123.481 121.223 -0.199 0.000 2.493 79 L HA 0.393 4.733 4.340 0.000 0.000 0.265 79 L C -1.914 174.845 176.870 -0.186 0.000 0.954 79 L CA -0.618 54.144 54.840 -0.130 0.000 0.844 79 L CB 1.655 43.643 42.059 -0.118 0.000 1.302 79 L HN 0.483 nan 8.230 nan 0.000 0.405 80 Y N 5.214 125.634 120.300 0.200 0.000 2.350 80 Y HA 0.740 5.290 4.550 0.000 0.000 0.338 80 Y C -0.696 175.378 175.900 0.290 0.000 0.961 80 Y CA -0.697 57.587 58.100 0.307 0.000 1.100 80 Y CB 1.917 40.558 38.460 0.302 0.000 1.179 80 Y HN 0.405 nan 8.280 nan 0.000 0.454 81 L N 3.158 124.653 121.223 0.452 0.000 2.385 81 L HA 0.868 5.208 4.340 0.000 0.000 0.273 81 L C -0.451 176.515 176.870 0.159 0.000 0.990 81 L CA -1.220 53.754 54.840 0.223 0.000 0.821 81 L CB 2.060 44.151 42.059 0.053 0.000 1.279 81 L HN 0.716 nan 8.230 nan 0.000 0.412 82 A N 3.360 126.185 122.820 0.009 0.000 2.260 82 A HA 0.698 5.019 4.320 0.000 0.000 0.314 82 A C -0.637 176.702 177.584 -0.408 0.000 1.257 82 A CA -0.509 51.350 52.037 -0.297 0.000 0.871 82 A CB 0.736 19.637 19.000 -0.166 0.000 1.166 82 A HN 0.659 nan 8.150 nan 0.000 0.522 83 Q N 0.993 120.434 119.800 -0.598 0.000 2.337 83 Q HA 0.676 5.017 4.340 0.000 0.000 0.270 83 Q C -0.410 175.237 176.000 -0.588 0.000 1.043 83 Q CA -0.387 55.039 55.803 -0.629 0.000 0.794 83 Q CB 2.460 30.628 28.738 -0.951 0.000 1.281 83 Q HN 1.431 nan 8.270 nan 0.000 0.446 84 G N 1.481 109.990 108.800 -0.485 0.000 2.088 84 G HA2 0.008 3.968 3.960 0.000 0.000 0.222 84 G HA3 0.008 3.968 3.960 0.000 0.000 0.222 84 G C -0.142 174.521 174.900 -0.395 0.000 1.690 84 G CA -0.763 44.071 45.100 -0.444 0.000 0.923 84 G HN 0.516 nan 8.290 nan 0.000 0.730 85 R N 0.098 120.321 120.500 -0.461 0.000 2.062 85 R HA 0.107 4.447 4.340 0.000 0.000 0.226 85 R C 0.009 175.830 176.300 -0.799 0.000 1.125 85 R CA 1.149 56.811 56.100 -0.730 0.000 0.966 85 R CB 0.062 29.696 30.300 -1.110 0.000 0.861 85 R HN 0.569 nan 8.270 nan 0.000 0.433 86 Y N -1.008 119.235 120.300 -0.094 0.000 2.462 86 Y HA 0.131 4.681 4.550 0.000 0.000 0.346 86 Y C 1.192 177.048 175.900 -0.074 0.000 0.976 86 Y CA -1.208 56.853 58.100 -0.066 0.000 1.044 86 Y CB 1.391 39.828 38.460 -0.039 0.000 1.230 86 Y HN -0.273 nan 8.280 nan 0.000 0.455 87 V N -0.568 119.400 119.914 0.091 0.000 2.568 87 V HA -0.122 3.998 4.120 0.000 0.000 0.253 87 V C 1.560 177.679 176.094 0.042 0.000 1.072 87 V CA 2.203 64.523 62.300 0.034 0.000 1.084 87 V CB -1.047 30.790 31.823 0.023 0.000 0.676 87 V HN 1.015 nan 8.190 nan 0.000 0.469 88 G N -0.155 108.687 108.800 0.071 0.000 3.026 88 G HA2 0.022 3.983 3.960 0.000 0.000 0.208 88 G HA3 0.022 3.983 3.960 0.000 0.000 0.208 88 G C 0.122 175.047 174.900 0.042 0.000 1.169 88 G CA -0.030 45.097 45.100 0.045 0.000 0.788 88 G HN 0.523 nan 8.290 nan 0.000 0.533 89 D N 0.642 121.071 120.400 0.048 0.000 2.399 89 D HA 0.083 4.723 4.640 0.000 0.000 0.241 89 D C 1.803 178.090 176.300 -0.022 0.000 1.133 89 D CA -0.108 53.904 54.000 0.021 0.000 0.890 89 D CB 1.005 41.786 40.800 -0.031 0.000 1.201 89 D HN 0.530 nan 8.370 nan 0.000 0.432 90 E N 1.857 122.029 120.200 -0.046 0.000 2.171 90 E HA -0.141 4.210 4.350 0.000 0.000 0.197 90 E C 0.445 176.915 176.600 -0.217 0.000 0.997 90 E CA 0.880 57.154 56.400 -0.210 0.000 0.810 90 E CB -0.047 29.441 29.700 -0.353 0.000 0.738 90 E HN 0.567 nan 8.360 nan 0.000 0.467 91 W N -0.612 120.497 121.300 -0.318 0.000 3.005 91 W HA 0.723 5.383 4.660 0.000 0.000 0.343 91 W C -1.868 174.563 176.519 -0.146 0.000 1.243 91 W CA -1.035 56.187 57.345 -0.204 0.000 1.186 91 W CB 0.521 29.894 29.460 -0.145 0.000 1.453 91 W HN -0.063 nan 8.180 nan 0.000 0.575 92 A N 0.837 123.525 122.820 -0.220 0.000 2.527 92 A HA 0.986 5.306 4.320 0.000 0.000 0.293 92 A C -1.499 175.818 177.584 -0.445 0.000 1.117 92 A CA -0.353 51.387 52.037 -0.495 0.000 0.723 92 A CB 1.376 20.146 19.000 -0.384 0.000 1.313 92 A HN 1.697 nan 8.150 nan 0.000 0.411 93 A N -0.075 122.389 122.820 -0.593 0.000 2.498 93 A HA 0.816 5.136 4.320 0.000 0.000 0.298 93 A C -1.587 175.745 177.584 -0.420 0.000 1.075 93 A CA -0.430 51.417 52.037 -0.317 0.000 0.714 93 A CB 0.831 19.654 19.000 -0.296 0.000 1.299 93 A HN 0.764 nan 8.150 nan 0.000 0.407 94 F N 0.935 121.005 119.950 0.199 0.000 2.427 94 F HA 0.428 4.955 4.527 0.000 0.000 0.346 94 F C -0.328 175.788 175.800 0.527 0.000 1.120 94 F CA 0.051 58.250 58.000 0.331 0.000 1.033 94 F CB 1.162 40.454 39.000 0.486 0.000 1.126 94 F HN 0.480 nan 8.300 nan 0.000 0.462 95 Y N 3.097 123.582 120.300 0.307 0.000 2.335 95 Y HA 0.559 5.109 4.550 0.000 0.000 0.339 95 Y C -0.346 175.817 175.900 0.439 0.000 0.987 95 Y CA -1.133 57.080 58.100 0.189 0.000 1.140 95 Y CB 1.511 39.792 38.460 -0.299 0.000 1.173 95 Y HN 0.132 nan 8.280 nan 0.000 0.486 96 V N 3.297 123.552 119.914 0.569 0.000 2.448 96 V HA 0.359 4.479 4.120 0.000 0.000 0.295 96 V C -0.329 175.865 176.094 0.166 0.000 1.025 96 V CA -0.552 61.945 62.300 0.328 0.000 0.859 96 V CB 1.661 33.707 31.823 0.372 0.000 0.988 96 V HN 0.745 nan 8.190 nan 0.000 0.431 97 S N 2.483 118.137 115.700 -0.078 0.000 2.568 97 S HA 0.545 5.015 4.470 0.000 0.000 0.293 97 S C 0.192 174.663 174.600 -0.215 0.000 1.089 97 S CA -0.630 57.420 58.200 -0.250 0.000 0.945 97 S CB 1.927 64.798 63.200 -0.548 0.000 1.077 97 S HN 0.759 nan 8.310 nan 0.000 0.485 98 E N 1.716 121.816 120.200 -0.167 0.000 2.538 98 E HA 0.139 4.489 4.350 0.000 0.000 0.207 98 E C -0.655 175.890 176.600 -0.091 0.000 1.002 98 E CA 0.122 56.459 56.400 -0.104 0.000 0.952 98 E CB 0.350 30.010 29.700 -0.067 0.000 1.031 98 E HN 0.740 nan 8.360 nan 0.000 0.476 99 D N -0.166 120.159 120.400 -0.125 0.000 2.865 99 D HA 0.127 4.767 4.640 0.000 0.000 0.347 99 D C -0.051 176.208 176.300 -0.068 0.000 1.498 99 D CA -0.626 53.321 54.000 -0.089 0.000 0.787 99 D CB -0.225 40.517 40.800 -0.097 0.000 1.190 99 D HN -0.121 nan 8.370 nan 0.000 0.445 100 R N 0.149 120.635 120.500 -0.023 0.000 3.651 100 R HA -0.095 4.245 4.340 0.000 0.000 0.292 100 R C 0.997 177.358 176.300 0.101 0.000 1.161 100 R CA 0.575 56.754 56.100 0.131 0.000 0.787 100 R CB -2.363 28.035 30.300 0.163 0.000 1.249 100 R HN 0.703 nan 8.270 nan 0.000 0.476 101 G N -0.497 108.185 108.800 -0.196 0.000 2.136 101 G HA2 -0.332 3.628 3.960 0.000 0.000 0.242 101 G HA3 -0.332 3.628 3.960 0.000 0.000 0.242 101 G C 0.733 175.449 174.900 -0.307 0.000 0.989 101 G CA 0.445 45.262 45.100 -0.472 0.000 0.682 101 G HN 0.342 nan 8.290 nan 0.000 0.522 102 Q N -0.090 119.580 119.800 -0.217 0.000 2.172 102 Q HA 0.113 4.453 4.340 0.000 0.000 0.200 102 Q C 1.614 177.519 176.000 -0.158 0.000 0.964 102 Q CA 1.604 57.339 55.803 -0.114 0.000 0.855 102 Q CB 0.173 28.867 28.738 -0.072 0.000 0.918 102 Q HN 1.164 nan 8.270 nan 0.000 0.444 103 S N -1.175 114.336 115.700 -0.316 0.000 2.546 103 S HA 0.724 5.194 4.470 0.000 0.000 0.274 103 S C -0.859 173.454 174.600 -0.479 0.000 1.121 103 S CA -0.873 57.157 58.200 -0.284 0.000 0.887 103 S CB 1.377 64.472 63.200 -0.175 0.000 1.094 103 S HN 0.025 nan 8.310 nan 0.000 0.474 104 F N 0.420 120.243 119.950 -0.213 0.000 2.563 104 F HA 0.577 5.104 4.527 0.000 0.000 0.316 104 F C 0.415 176.044 175.800 -0.285 0.000 1.076 104 F CA -0.594 57.270 58.000 -0.226 0.000 0.921 104 F CB 2.689 41.497 39.000 -0.321 0.000 1.209 104 F HN 0.559 nan 8.300 nan 0.000 0.462 105 T N 3.984 118.531 114.554 -0.011 0.000 2.799 105 T HA 0.586 4.936 4.350 0.000 0.000 0.286 105 T C -0.190 174.375 174.700 -0.224 0.000 0.973 105 T CA -0.375 61.620 62.100 -0.176 0.000 1.035 105 T CB 0.614 69.354 68.868 -0.213 0.000 0.932 105 T HN 0.268 nan 8.240 nan 0.000 0.469 106 I N 3.315 123.703 120.570 -0.304 0.000 2.377 106 I HA 0.411 4.581 4.170 0.000 0.000 0.293 106 I C -0.802 175.197 176.117 -0.196 0.000 0.987 106 I CA -0.921 60.308 61.300 -0.118 0.000 1.185 106 I CB 0.950 38.938 38.000 -0.021 0.000 1.341 106 I HN 0.592 nan 8.210 nan 0.000 0.455 107 Y N 3.209 123.722 120.300 0.355 0.000 2.487 107 Y HA 0.338 4.888 4.550 0.000 0.000 0.337 107 Y C 0.318 176.467 175.900 0.416 0.000 1.076 107 Y CA -0.849 57.457 58.100 0.342 0.000 1.115 107 Y CB 1.315 39.992 38.460 0.361 0.000 1.235 107 Y HN 0.491 nan 8.280 nan 0.000 0.468 108 E N 1.332 121.830 120.200 0.496 0.000 2.290 108 E HA 0.141 4.491 4.350 0.000 0.000 0.277 108 E C -0.511 176.265 176.600 0.293 0.000 1.035 108 E CA -0.241 56.421 56.400 0.437 0.000 0.873 108 E CB 0.737 30.593 29.700 0.261 0.000 1.029 108 E HN 0.565 nan 8.360 nan 0.000 0.419 109 S N 4.970 120.744 115.700 0.124 0.000 2.531 109 S HA 0.131 4.601 4.470 0.000 0.000 0.279 109 S C -1.408 172.977 174.600 -0.358 0.000 1.305 109 S CA -1.383 56.668 58.200 -0.248 0.000 1.058 109 S CB 0.841 63.660 63.200 -0.635 0.000 0.899 109 S HN 0.526 nan 8.310 nan 0.000 0.493 110 P HA 0.083 nan 4.420 nan 0.000 0.226 110 P C -0.196 176.810 177.300 -0.490 0.000 1.153 110 P CA 0.701 63.541 63.100 -0.434 0.000 0.777 110 P CB -0.244 31.240 31.700 -0.360 0.000 0.794 111 F N -2.180 117.531 119.950 -0.400 0.000 2.603 111 F HA 0.809 5.336 4.527 0.000 0.000 0.317 111 F C -3.018 172.610 175.800 -0.288 0.000 1.066 111 F CA -3.715 54.044 58.000 -0.402 0.000 0.941 111 F CB -0.123 38.481 39.000 -0.660 0.000 1.291 111 F HN -0.426 nan 8.300 nan 0.000 0.472 112 P HA 0.357 nan 4.420 nan 0.000 0.274 112 P C -0.977 176.304 177.300 -0.032 0.000 1.231 112 P CA -0.211 62.874 63.100 -0.024 0.000 0.790 112 P CB 0.833 32.530 31.700 -0.005 0.000 0.951 113 M N 0.680 120.210 119.600 -0.116 0.000 2.716 113 M HA 0.622 5.102 4.480 0.000 0.000 0.307 113 M C 0.237 176.452 176.300 -0.142 0.000 1.223 113 M CA -0.392 54.819 55.300 -0.148 0.000 0.871 113 M CB 2.628 35.076 32.600 -0.252 0.000 1.739 113 M HN 0.403 nan 8.290 nan 0.000 0.475 114 G N 0.020 108.736 108.800 -0.141 0.000 4.370 114 G HA2 0.512 4.472 3.960 0.000 0.000 0.295 114 G HA3 0.512 4.472 3.960 0.000 0.000 0.295 114 G C 0.424 175.225 174.900 -0.165 0.000 1.312 114 G CA -0.073 44.945 45.100 -0.136 0.000 0.845 114 G HN 0.890 nan 8.290 nan 0.000 0.531 115 A N 1.111 123.793 122.820 -0.230 0.000 2.076 115 A HA -0.073 4.247 4.320 0.000 0.000 0.220 115 A C 1.711 179.186 177.584 -0.182 0.000 1.160 115 A CA 1.595 53.506 52.037 -0.210 0.000 0.653 115 A CB 0.024 18.873 19.000 -0.250 0.000 0.801 115 A HN 0.458 nan 8.150 nan 0.000 0.455 116 N N -0.116 118.438 118.700 -0.243 0.000 2.282 116 N HA 0.130 4.871 4.740 0.000 0.000 0.240 116 N C -1.081 174.452 175.510 0.038 0.000 1.182 116 N CA -0.251 52.728 53.050 -0.118 0.000 0.874 116 N CB 0.215 38.568 38.487 -0.224 0.000 1.126 116 N HN 0.222 nan 8.380 nan 0.000 0.516 117 D N 0.008 120.410 120.400 0.003 0.000 2.387 117 D HA 0.189 4.829 4.640 0.000 0.000 0.255 117 D C 0.752 177.043 176.300 -0.015 0.000 1.081 117 D CA -0.311 53.721 54.000 0.053 0.000 0.994 117 D CB 0.819 41.631 40.800 0.020 0.000 1.127 117 D HN 0.001 nan 8.370 nan 0.000 0.513 118 M N 0.058 119.621 119.600 -0.061 0.000 2.246 118 M HA 0.128 4.608 4.480 0.000 0.000 0.327 118 M C 1.490 177.669 176.300 -0.202 0.000 1.090 118 M CA 0.651 55.833 55.300 -0.197 0.000 1.087 118 M CB -0.538 31.883 32.600 -0.298 0.000 1.587 118 M HN 0.769 nan 8.290 nan 0.000 0.444 119 G N 2.305 110.957 108.800 -0.247 0.000 2.179 119 G HA2 -0.344 3.616 3.960 0.000 0.000 0.260 119 G HA3 -0.344 3.616 3.960 0.000 0.000 0.260 119 G C 1.051 175.873 174.900 -0.130 0.000 0.977 119 G CA 0.743 45.722 45.100 -0.202 0.000 0.641 119 G HN 0.829 nan 8.290 nan 0.000 0.533 120 R N 1.116 121.555 120.500 -0.102 0.000 2.193 120 R HA -0.099 4.241 4.340 0.000 0.000 0.229 120 R C 2.127 178.382 176.300 -0.075 0.000 1.110 120 R CA 1.587 57.640 56.100 -0.079 0.000 0.988 120 R CB -0.813 29.452 30.300 -0.058 0.000 0.871 120 R HN 0.576 nan 8.270 nan 0.000 0.458 121 N N 1.015 119.691 118.700 -0.040 0.000 2.289 121 N HA -0.127 4.613 4.740 0.000 0.000 0.184 121 N C -0.326 175.170 175.510 -0.023 0.000 1.016 121 N CA 0.742 53.792 53.050 0.000 0.000 0.872 121 N CB -0.510 37.993 38.487 0.028 0.000 0.973 121 N HN 0.228 nan 8.380 nan 0.000 0.433 122 N N 0.352 119.024 118.700 -0.048 0.000 2.479 122 N HA 0.467 5.207 4.740 0.000 0.000 0.285 122 N C 1.085 176.581 175.510 -0.022 0.000 1.075 122 N CA 0.545 53.573 53.050 -0.036 0.000 0.967 122 N CB 1.736 40.188 38.487 -0.059 0.000 1.137 122 N HN 0.431 nan 8.380 nan 0.000 0.472 123 G N 0.555 109.356 108.800 0.003 0.000 1.930 123 G HA2 -0.047 3.913 3.960 0.000 0.000 0.054 123 G HA3 -0.047 3.913 3.960 0.000 0.000 0.054 123 G C -1.585 173.346 174.900 0.051 0.000 0.902 123 G CA -0.480 44.634 45.100 0.023 0.000 1.168 123 G HN 0.496 nan 8.290 nan 0.000 0.383 124 E N -0.249 119.988 120.200 0.061 0.000 4.670 124 E HA -0.088 4.262 4.350 0.000 0.000 0.176 124 E C 0.860 177.530 176.600 0.116 0.000 1.332 124 E CA 0.831 57.288 56.400 0.096 0.000 1.078 124 E CB -1.276 28.490 29.700 0.111 0.000 1.040 124 E HN 0.722 nan 8.360 nan 0.000 0.376 125 R N 0.058 120.627 120.500 0.114 0.000 2.193 125 R HA 0.080 4.420 4.340 0.000 0.000 0.213 125 R C 0.927 177.349 176.300 0.203 0.000 1.055 125 R CA 0.404 56.585 56.100 0.136 0.000 0.995 125 R CB 0.205 30.563 30.300 0.097 0.000 0.893 125 R HN 0.205 nan 8.270 nan 0.000 0.459 126 L N 0.171 121.533 121.223 0.232 0.000 2.309 126 L HA 0.579 4.920 4.340 0.000 0.000 0.282 126 L C -1.154 175.899 176.870 0.305 0.000 1.036 126 L CA -0.453 54.576 54.840 0.315 0.000 0.806 126 L CB 1.746 44.012 42.059 0.345 0.000 1.220 126 L HN -0.016 nan 8.230 nan 0.000 0.429 127 A N 4.237 127.279 122.820 0.371 0.000 2.488 127 A HA 0.667 4.987 4.320 0.000 0.000 0.295 127 A C -1.542 176.289 177.584 0.412 0.000 1.045 127 A CA -0.578 51.696 52.037 0.395 0.000 0.703 127 A CB 1.351 20.621 19.000 0.450 0.000 1.271 127 A HN 0.391 nan 8.150 nan 0.000 0.400 128 V N 2.874 122.905 119.914 0.195 0.000 2.461 128 V HA 0.188 4.308 4.120 0.000 0.000 0.275 128 V C 0.703 176.599 176.094 -0.329 0.000 1.047 128 V CA -0.823 61.468 62.300 -0.015 0.000 0.955 128 V CB 1.237 33.044 31.823 -0.027 0.000 0.988 128 V HN 0.873 nan 8.190 nan 0.000 0.471 129 N N 7.698 126.009 118.700 -0.649 0.000 2.414 129 N HA 0.048 4.788 4.740 0.000 0.000 0.268 129 N C -1.415 173.746 175.510 -0.581 0.000 1.286 129 N CA -1.417 50.897 53.050 -1.227 0.000 0.896 129 N CB 1.432 39.559 38.487 -0.599 0.000 1.093 129 N HN 0.333 nan 8.380 nan 0.000 0.480 130 P HA -0.067 nan 4.420 nan 0.000 0.222 130 P C 0.491 177.485 177.300 -0.509 0.000 1.147 130 P CA 1.198 64.038 63.100 -0.432 0.000 0.790 130 P CB 0.013 31.431 31.700 -0.471 0.000 0.780 131 F N -1.050 118.792 119.950 -0.180 0.000 2.727 131 F HA 0.211 4.738 4.527 0.000 0.000 0.302 131 F C 0.836 176.589 175.800 -0.079 0.000 1.097 131 F CA 0.026 57.969 58.000 -0.095 0.000 1.330 131 F CB -0.037 38.922 39.000 -0.067 0.000 1.084 131 F HN -0.105 nan 8.300 nan 0.000 0.578 132 N N -0.209 118.501 118.700 0.018 0.000 2.701 132 N HA 0.037 4.777 4.740 0.000 0.000 0.258 132 N C 0.708 176.201 175.510 -0.027 0.000 1.262 132 N CA 0.127 53.186 53.050 0.015 0.000 0.780 132 N CB 0.733 39.248 38.487 0.047 0.000 1.380 132 N HN -0.039 nan 8.380 nan 0.000 0.548 133 S N 1.974 117.665 115.700 -0.015 0.000 2.493 133 S HA -0.151 4.319 4.470 0.000 0.000 0.243 133 S C 1.011 175.619 174.600 0.014 0.000 0.991 133 S CA 0.948 59.150 58.200 0.003 0.000 0.957 133 S CB -0.347 62.872 63.200 0.032 0.000 0.756 133 S HN 0.655 nan 8.310 nan 0.000 0.521 134 N N 0.912 119.612 118.700 -0.001 0.000 2.446 134 N HA 0.094 4.834 4.740 0.000 0.000 0.179 134 N C 0.232 175.697 175.510 -0.075 0.000 1.054 134 N CA 0.303 53.340 53.050 -0.022 0.000 0.905 134 N CB 0.146 38.619 38.487 -0.023 0.000 0.973 134 N HN 0.539 nan 8.380 nan 0.000 0.448 135 E N 1.188 121.360 120.200 -0.045 0.000 2.146 135 E HA 0.285 4.635 4.350 0.000 0.000 0.282 135 E C -1.266 175.343 176.600 0.016 0.000 0.989 135 E CA -0.347 56.051 56.400 -0.004 0.000 0.799 135 E CB 1.288 31.084 29.700 0.160 0.000 1.088 135 E HN -0.145 nan 8.360 nan 0.000 0.397 136 V N 4.558 124.422 119.914 -0.082 0.000 2.531 136 V HA 0.346 4.466 4.120 0.000 0.000 0.301 136 V C -0.935 175.301 176.094 0.236 0.000 1.034 136 V CA -0.931 61.362 62.300 -0.013 0.000 0.865 136 V CB 0.866 32.464 31.823 -0.375 0.000 0.995 136 V HN 0.641 nan 8.190 nan 0.000 0.424 137 W N 4.538 126.023 121.300 0.308 0.000 2.570 137 W HA 0.838 5.499 4.660 0.000 0.000 0.337 137 W C -0.080 176.710 176.519 0.452 0.000 1.067 137 W CA -0.836 56.770 57.345 0.435 0.000 1.229 137 W CB 1.784 31.460 29.460 0.360 0.000 1.355 137 W HN 0.475 nan 8.180 nan 0.000 0.555 138 M N 2.344 122.299 119.600 0.592 0.000 2.213 138 M HA 0.582 5.062 4.480 0.000 0.000 0.286 138 M C -0.318 176.075 176.300 0.155 0.000 1.008 138 M CA -0.344 55.148 55.300 0.320 0.000 0.937 138 M CB 1.442 34.119 32.600 0.129 0.000 1.600 138 M HN 0.441 nan 8.290 nan 0.000 0.450 139 G N 2.887 111.771 108.800 0.140 0.000 2.355 139 G HA2 0.514 4.474 3.960 0.000 0.000 0.276 139 G HA3 0.514 4.474 3.960 0.000 0.000 0.276 139 G C -0.209 174.694 174.900 0.005 0.000 1.198 139 G CA 0.088 45.249 45.100 0.100 0.000 0.876 139 G HN 0.872 nan 8.290 nan 0.000 0.478 140 T N -0.261 114.262 114.554 -0.053 0.000 2.940 140 T HA 0.432 4.782 4.350 0.000 0.000 0.288 140 T C 1.238 175.907 174.700 -0.052 0.000 1.045 140 T CA -0.886 61.104 62.100 -0.183 0.000 1.018 140 T CB 2.181 70.711 68.868 -0.563 0.000 1.151 140 T HN 0.368 nan 8.240 nan 0.000 0.529 141 R N -0.319 120.134 120.500 -0.078 0.000 2.127 141 R HA 0.101 4.441 4.340 0.000 0.000 0.217 141 R C 1.743 178.038 176.300 -0.007 0.000 1.074 141 R CA 1.485 57.562 56.100 -0.038 0.000 0.991 141 R CB -0.056 30.215 30.300 -0.048 0.000 0.895 141 R HN 0.913 nan 8.270 nan 0.000 0.450 142 T N -4.518 110.031 114.554 -0.008 0.000 3.130 142 T HA 0.231 4.581 4.350 0.000 0.000 0.288 142 T C 0.726 175.464 174.700 0.063 0.000 0.936 142 T CA -0.409 61.708 62.100 0.028 0.000 0.897 142 T CB 0.610 69.494 68.868 0.026 0.000 1.178 142 T HN 0.017 nan 8.240 nan 0.000 0.543 143 E N 0.772 121.010 120.200 0.063 0.000 2.921 143 E HA 0.461 4.811 4.350 0.000 0.000 0.203 143 E C 0.925 177.738 176.600 0.355 0.000 0.975 143 E CA -0.125 56.400 56.400 0.207 0.000 1.225 143 E CB 1.123 30.948 29.700 0.209 0.000 1.048 143 E HN 0.608 nan 8.360 nan 0.000 0.477 144 G N 1.582 110.499 108.800 0.195 0.000 2.496 144 G HA2 -0.263 3.698 3.960 0.000 0.000 0.243 144 G HA3 -0.263 3.698 3.960 0.000 0.000 0.243 144 G C -0.361 174.597 174.900 0.097 0.000 1.176 144 G CA -0.410 44.777 45.100 0.146 0.000 0.940 144 G HN 0.123 nan 8.290 nan 0.000 0.573 145 I N -0.129 120.394 120.570 -0.078 0.000 2.474 145 I HA 0.658 4.828 4.170 0.000 0.000 0.294 145 I C -0.762 175.357 176.117 0.003 0.000 1.005 145 I CA -0.553 60.701 61.300 -0.076 0.000 1.113 145 I CB 1.860 39.659 38.000 -0.335 0.000 1.289 145 I HN 0.507 nan 8.210 nan 0.000 0.436 146 W N 4.632 125.843 121.300 -0.148 0.000 2.864 146 W HA 0.587 5.248 4.660 0.000 0.000 0.343 146 W C -0.487 176.060 176.519 0.046 0.000 1.109 146 W CA -0.770 56.561 57.345 -0.024 0.000 1.192 146 W CB 1.497 30.998 29.460 0.068 0.000 1.426 146 W HN 0.182 nan 8.180 nan 0.000 0.529 147 K N 1.511 121.977 120.400 0.111 0.000 2.397 147 K HA 0.605 4.925 4.320 0.000 0.000 0.253 147 K C -0.825 175.637 176.600 -0.230 0.000 0.932 147 K CA -0.422 55.631 56.287 -0.390 0.000 0.795 147 K CB 1.901 33.782 32.500 -1.031 0.000 1.159 147 K HN 0.342 nan 8.250 nan 0.000 0.424 148 S N 2.097 117.386 115.700 -0.684 0.000 2.489 148 S HA 0.257 4.727 4.470 0.000 0.000 0.291 148 S C 0.116 174.387 174.600 -0.548 0.000 1.151 148 S CA -0.493 57.134 58.200 -0.955 0.000 1.082 148 S CB 1.579 63.624 63.200 -1.926 0.000 1.019 148 S HN 0.639 nan 8.310 nan 0.000 0.492 149 S N 1.929 117.395 115.700 -0.389 0.000 2.540 149 S HA 0.150 4.620 4.470 0.000 0.000 0.218 149 S C -0.333 174.143 174.600 -0.207 0.000 0.977 149 S CA -0.166 57.897 58.200 -0.229 0.000 0.918 149 S CB -0.055 63.055 63.200 -0.150 0.000 0.806 149 S HN 0.877 nan 8.310 nan 0.000 0.496 150 D N 0.193 120.419 120.400 -0.290 0.000 2.945 150 D HA 0.212 4.852 4.640 0.000 0.000 0.366 150 D C -0.069 176.094 176.300 -0.229 0.000 1.352 150 D CA -0.556 53.315 54.000 -0.214 0.000 0.810 150 D CB -0.554 40.128 40.800 -0.197 0.000 1.170 150 D HN -0.009 nan 8.370 nan 0.000 0.461 151 R N 0.530 120.898 120.500 -0.220 0.000 3.416 151 R HA -0.117 4.223 4.340 0.000 0.000 0.263 151 R C 0.607 176.846 176.300 -0.102 0.000 1.053 151 R CA 0.593 56.643 56.100 -0.084 0.000 0.705 151 R CB -2.243 28.156 30.300 0.164 0.000 1.124 151 R HN 0.676 nan 8.270 nan 0.000 0.444 152 A N -1.657 120.848 122.820 -0.525 0.000 3.330 152 A HA -0.295 4.025 4.320 0.000 0.000 0.248 152 A C 1.361 178.567 177.584 -0.630 0.000 1.237 152 A CA 1.669 53.341 52.037 -0.609 0.000 1.268 152 A CB -1.313 17.662 19.000 -0.041 0.000 1.128 152 A HN 0.529 nan 8.150 nan 0.000 0.922 153 K N 0.076 119.966 120.400 -0.850 0.000 2.007 153 K HA -0.008 4.312 4.320 0.000 0.000 0.206 153 K C 1.016 177.323 176.600 -0.489 0.000 1.047 153 K CA 1.905 57.523 56.287 -1.115 0.000 0.937 153 K CB -0.091 31.965 32.500 -0.740 0.000 0.718 153 K HN 0.999 nan 8.250 nan 0.000 0.438 154 T N -2.910 111.386 114.554 -0.431 0.000 2.916 154 T HA 0.526 4.876 4.350 0.000 0.000 0.292 154 T C -1.308 173.182 174.700 -0.351 0.000 1.064 154 T CA -0.972 61.019 62.100 -0.181 0.000 1.011 154 T CB 1.236 70.061 68.868 -0.073 0.000 1.152 154 T HN 0.219 nan 8.240 nan 0.000 0.510 155 W N 0.248 121.584 121.300 0.060 0.000 3.138 155 W HA 0.612 5.272 4.660 -0.000 0.000 0.331 155 W C -0.382 176.328 176.519 0.318 0.000 1.166 155 W CA -0.631 56.836 57.345 0.204 0.000 1.212 155 W CB 2.269 31.950 29.460 0.368 0.000 1.399 155 W HN 0.966 nan 8.180 nan 0.000 0.514 156 T N 1.569 116.349 114.554 0.377 0.000 2.876 156 T HA 0.359 4.709 4.350 0.000 0.000 0.289 156 T C -0.601 173.909 174.700 -0.317 0.000 1.014 156 T CA -0.803 61.335 62.100 0.063 0.000 0.986 156 T CB 1.182 70.022 68.868 -0.047 0.000 1.021 156 T HN 0.494 nan 8.240 nan 0.000 0.458 157 N N 3.311 121.459 118.700 -0.920 0.000 2.475 157 N HA 0.145 4.885 4.740 0.000 0.000 0.267 157 N C -0.280 174.826 175.510 -0.673 0.000 1.169 157 N CA -0.381 51.816 53.050 -1.422 0.000 0.947 157 N CB 0.735 38.294 38.487 -1.547 0.000 1.061 157 N HN 0.462 nan 8.380 nan 0.000 0.466 158 V N 4.322 123.908 119.914 -0.547 0.000 2.326 158 V HA -0.006 4.114 4.120 0.000 0.000 0.249 158 V C 1.647 177.600 176.094 -0.234 0.000 1.114 158 V CA -0.040 62.102 62.300 -0.262 0.000 1.028 158 V CB -0.044 31.715 31.823 -0.107 0.000 1.170 158 V HN 0.844 nan 8.190 nan 0.000 0.494 159 T N -0.477 113.965 114.554 -0.187 0.000 3.088 159 T HA -0.097 4.253 4.350 0.000 0.000 0.259 159 T C 1.777 176.414 174.700 -0.104 0.000 1.122 159 T CA 0.831 62.831 62.100 -0.167 0.000 1.095 159 T CB -0.076 68.709 68.868 -0.138 0.000 0.930 159 T HN 0.676 nan 8.240 nan 0.000 0.508 160 S N 0.617 116.309 115.700 -0.013 0.000 2.522 160 S HA 0.164 4.634 4.470 0.000 0.000 0.227 160 S C 0.667 175.280 174.600 0.022 0.000 0.986 160 S CA -0.541 57.709 58.200 0.083 0.000 0.929 160 S CB -0.840 62.506 63.200 0.244 0.000 0.769 160 S HN 0.482 nan 8.310 nan 0.000 0.529 161 I N 3.841 124.236 120.570 -0.292 0.000 2.662 161 I HA 0.193 4.363 4.170 0.000 0.000 0.285 161 I C -1.669 174.165 176.117 -0.472 0.000 1.161 161 I CA -1.962 58.916 61.300 -0.704 0.000 1.415 161 I CB 0.914 38.332 38.000 -0.970 0.000 1.385 161 I HN -0.042 nan 8.210 nan 0.000 0.552 162 P HA -0.098 nan 4.420 nan 0.000 0.216 162 P C -0.502 176.594 177.300 -0.340 0.000 1.150 162 P CA 1.226 64.129 63.100 -0.329 0.000 0.837 162 P CB 0.137 31.686 31.700 -0.251 0.000 0.786 163 D N -1.919 118.185 120.400 -0.494 0.000 2.686 163 D HA 0.356 4.996 4.640 0.000 0.000 0.249 163 D C 0.248 176.277 176.300 -0.451 0.000 1.260 163 D CA -0.609 53.071 54.000 -0.533 0.000 0.910 163 D CB 1.670 41.992 40.800 -0.797 0.000 1.323 163 D HN -0.145 nan 8.370 nan 0.000 0.561 164 A N 3.402 126.058 122.820 -0.273 0.000 2.167 164 A HA 0.111 4.431 4.320 0.000 0.000 0.214 164 A C 0.870 178.543 177.584 0.147 0.000 1.151 164 A CA -0.021 52.013 52.037 -0.005 0.000 0.735 164 A CB -0.762 18.218 19.000 -0.034 0.000 0.802 164 A HN 0.703 nan 8.150 nan 0.000 0.467 165 F N 0.497 120.457 119.950 0.016 0.000 2.866 165 F HA -0.201 4.326 4.527 0.000 0.000 0.254 165 F C 0.928 176.708 175.800 -0.032 0.000 1.009 165 F CA 0.742 58.703 58.000 -0.065 0.000 0.907 165 F CB -2.094 36.761 39.000 -0.243 0.000 0.859 165 F HN 0.298 nan 8.300 nan 0.000 0.842 166 T N -2.286 112.330 114.554 0.104 0.000 4.309 166 T HA 0.134 4.484 4.350 0.000 0.000 0.242 166 T C 0.963 175.699 174.700 0.059 0.000 1.142 166 T CA 0.077 62.224 62.100 0.077 0.000 1.042 166 T CB -0.494 68.408 68.868 0.056 0.000 1.366 166 T HN 0.726 nan 8.240 nan 0.000 0.942 167 N N 0.290 119.025 118.700 0.057 0.000 2.177 167 N HA 0.300 5.040 4.740 0.000 0.000 0.218 167 N C 1.455 176.964 175.510 -0.003 0.000 1.182 167 N CA -0.208 52.860 53.050 0.030 0.000 0.882 167 N CB 0.497 39.008 38.487 0.039 0.000 1.052 167 N HN 0.594 nan 8.380 nan 0.000 0.519 168 G N 1.180 109.976 108.800 -0.006 0.000 2.234 168 G HA2 -0.227 3.733 3.960 0.000 0.000 0.235 168 G HA3 -0.227 3.733 3.960 0.000 0.000 0.235 168 G C 0.699 175.565 174.900 -0.057 0.000 0.997 168 G CA 0.380 45.465 45.100 -0.025 0.000 0.623 168 G HN 0.266 nan 8.290 nan 0.000 0.514 169 I N 0.847 121.371 120.570 -0.077 0.000 2.899 169 I HA 0.363 4.534 4.170 0.000 0.000 0.257 169 I C 2.228 178.286 176.117 -0.098 0.000 1.115 169 I CA 2.040 63.269 61.300 -0.118 0.000 1.451 169 I CB -1.519 36.375 38.000 -0.177 0.000 1.251 169 I HN 1.260 nan 8.210 nan 0.000 0.456 170 G N 0.814 109.563 108.800 -0.085 0.000 2.569 170 G HA2 -0.317 3.643 3.960 0.000 0.000 0.259 170 G HA3 -0.317 3.643 3.960 0.000 0.000 0.259 170 G C -0.524 174.279 174.900 -0.162 0.000 1.263 170 G CA -0.182 44.893 45.100 -0.041 0.000 0.928 170 G HN 0.247 nan 8.290 nan 0.000 0.572 171 Y N 1.881 122.174 120.300 -0.012 0.000 2.504 171 Y HA 0.417 4.967 4.550 0.000 0.000 0.351 171 Y C 2.021 177.903 175.900 -0.029 0.000 0.988 171 Y CA 0.721 58.811 58.100 -0.015 0.000 1.239 171 Y CB 1.213 39.681 38.460 0.013 0.000 1.128 171 Y HN 0.706 nan 8.280 nan 0.000 0.525 172 T N -2.010 112.559 114.554 0.026 0.000 3.107 172 T HA 0.104 4.454 4.350 0.000 0.000 0.249 172 T C 0.462 175.194 174.700 0.054 0.000 1.096 172 T CA 0.141 62.247 62.100 0.009 0.000 1.012 172 T CB 0.147 68.980 68.868 -0.059 0.000 0.977 172 T HN 0.385 nan 8.240 nan 0.000 0.527 173 S N 0.291 116.057 115.700 0.109 0.000 2.614 173 S HA 0.594 5.064 4.470 0.000 0.000 0.275 173 S C -1.532 173.156 174.600 0.148 0.000 1.161 173 S CA -0.607 57.661 58.200 0.112 0.000 0.969 173 S CB 1.659 64.908 63.200 0.081 0.000 1.059 173 S HN 0.162 nan 8.310 nan 0.000 0.482 174 V N 6.290 126.280 119.914 0.126 0.000 2.483 174 V HA 0.638 4.758 4.120 0.000 0.000 0.297 174 V C -0.697 175.418 176.094 0.035 0.000 1.027 174 V CA -0.496 61.849 62.300 0.075 0.000 0.855 174 V CB 1.440 33.323 31.823 0.100 0.000 0.995 174 V HN 0.874 nan 8.190 nan 0.000 0.424 175 I N 4.551 125.103 120.570 -0.031 0.000 2.534 175 I HA 0.488 4.658 4.170 0.000 0.000 0.288 175 I C -1.057 175.020 176.117 -0.067 0.000 1.077 175 I CA -0.317 61.002 61.300 0.032 0.000 1.051 175 I CB 2.201 40.266 38.000 0.108 0.000 1.234 175 I HN 0.380 nan 8.210 nan 0.000 0.425 176 F N 3.077 123.068 119.950 0.069 0.000 2.379 176 F HA 0.251 4.778 4.527 0.000 0.000 0.332 176 F C 0.826 176.694 175.800 0.113 0.000 1.096 176 F CA -0.280 57.751 58.000 0.050 0.000 1.105 176 F CB 0.741 39.752 39.000 0.019 0.000 1.189 176 F HN 0.389 nan 8.300 nan 0.000 0.515 177 D N 4.529 125.132 120.400 0.338 0.000 2.339 177 D HA 0.112 4.752 4.640 0.000 0.000 0.256 177 D C -1.637 174.862 176.300 0.331 0.000 1.214 177 D CA -1.943 52.230 54.000 0.288 0.000 0.877 177 D CB 1.343 42.292 40.800 0.248 0.000 1.111 177 D HN 0.159 nan 8.370 nan 0.000 0.478 178 P HA -0.005 nan 4.420 nan 0.000 0.237 178 P C 0.695 178.105 177.300 0.184 0.000 1.178 178 P CA 0.569 63.736 63.100 0.112 0.000 0.766 178 P CB 0.629 32.349 31.700 0.034 0.000 0.876 179 E N -0.906 119.455 120.200 0.269 0.000 2.364 179 E HA 0.130 4.480 4.350 0.000 0.000 0.196 179 E C 0.851 177.646 176.600 0.325 0.000 0.990 179 E CA 0.150 56.712 56.400 0.270 0.000 0.886 179 E CB 0.366 30.152 29.700 0.142 0.000 0.866 179 E HN -0.070 nan 8.360 nan 0.000 0.493 180 R N 1.307 121.978 120.500 0.285 0.000 2.467 180 R HA 0.211 4.551 4.340 0.000 0.000 0.299 180 R C -1.148 175.047 176.300 -0.176 0.000 1.120 180 R CA -0.629 55.482 56.100 0.018 0.000 0.940 180 R CB 0.662 30.986 30.300 0.039 0.000 1.161 180 R HN 0.030 nan 8.270 nan 0.000 0.506 181 N N 1.165 119.349 118.700 -0.860 0.000 2.412 181 N HA -0.026 4.714 4.740 0.000 0.000 0.254 181 N C 1.088 176.388 175.510 -0.349 0.000 1.232 181 N CA 2.278 54.717 53.050 -1.018 0.000 0.880 181 N CB 0.719 38.461 38.487 -1.241 0.000 1.076 181 N HN 0.826 nan 8.380 nan 0.000 0.458 182 G N 1.607 110.306 108.800 -0.169 0.000 2.225 182 G HA2 -0.248 3.712 3.960 0.000 0.000 0.254 182 G HA3 -0.248 3.712 3.960 0.000 0.000 0.254 182 G C 0.115 174.921 174.900 -0.157 0.000 0.988 182 G CA 0.590 45.615 45.100 -0.125 0.000 0.625 182 G HN 0.714 nan 8.290 nan 0.000 0.527 183 T N 1.859 116.355 114.554 -0.097 0.000 2.743 183 T HA 0.644 4.995 4.350 0.000 0.000 0.293 183 T C 0.208 174.776 174.700 -0.220 0.000 0.945 183 T CA 0.148 62.139 62.100 -0.183 0.000 1.030 183 T CB 0.935 69.802 68.868 -0.002 0.000 0.912 183 T HN 0.442 nan 8.240 nan 0.000 0.483 184 I N 2.583 122.869 120.570 -0.474 0.000 2.686 184 I HA 0.400 4.570 4.170 0.000 0.000 0.295 184 I C -1.260 174.625 176.117 -0.387 0.000 1.114 184 I CA -1.260 59.746 61.300 -0.490 0.000 1.038 184 I CB 2.110 39.632 38.000 -0.797 0.000 1.238 184 I HN 0.496 nan 8.210 nan 0.000 0.420 185 Y N 3.622 123.849 120.300 -0.121 0.000 2.353 185 Y HA 0.634 5.184 4.550 0.000 0.000 0.340 185 Y C 0.397 176.346 175.900 0.082 0.000 0.972 185 Y CA -0.587 57.537 58.100 0.039 0.000 1.157 185 Y CB 1.812 40.295 38.460 0.039 0.000 1.157 185 Y HN 0.616 nan 8.280 nan 0.000 0.495 186 A N 2.725 125.733 122.820 0.314 0.000 2.271 186 A HA 0.755 5.075 4.320 0.000 0.000 0.317 186 A C -0.606 177.232 177.584 0.423 0.000 1.245 186 A CA -0.573 51.593 52.037 0.214 0.000 0.857 186 A CB 0.509 19.407 19.000 -0.170 0.000 1.175 186 A HN 0.594 nan 8.150 nan 0.000 0.512 187 S N 1.144 117.094 115.700 0.417 0.000 2.519 187 S HA 0.690 5.160 4.470 0.000 0.000 0.309 187 S C -0.055 174.594 174.600 0.081 0.000 1.100 187 S CA -0.325 58.039 58.200 0.273 0.000 1.059 187 S CB 1.623 64.902 63.200 0.131 0.000 1.008 187 S HN 1.230 nan 8.310 nan 0.000 0.478 188 A N 2.239 124.869 122.820 -0.316 0.000 2.306 188 A HA 0.661 4.981 4.320 0.000 0.000 0.314 188 A C 0.236 177.491 177.584 -0.547 0.000 1.164 188 A CA -0.613 50.984 52.037 -0.733 0.000 0.822 188 A CB 0.270 18.350 19.000 -1.533 0.000 1.130 188 A HN 0.605 nan 8.150 nan 0.000 0.496 189 T N 2.160 116.452 114.554 -0.437 0.000 2.855 189 T HA 0.536 4.886 4.350 0.000 0.000 0.290 189 T C 0.060 174.514 174.700 -0.410 0.000 0.941 189 T CA 1.063 62.965 62.100 -0.329 0.000 1.030 189 T CB -0.631 68.096 68.868 -0.235 0.000 0.935 189 T HN 1.480 nan 8.240 nan 0.000 0.564 190 A N 5.413 127.979 122.820 -0.422 0.000 2.571 190 A HA 0.619 4.939 4.320 0.000 0.000 0.296 190 A C -3.179 174.232 177.584 -0.289 0.000 1.005 190 A CA -1.595 50.185 52.037 -0.428 0.000 0.682 190 A CB 0.581 19.017 19.000 -0.940 0.000 1.292 190 A HN 0.356 nan 8.150 nan 0.000 0.420 191 P HA 0.220 nan 4.420 nan 0.000 0.262 191 P C -0.403 176.841 177.300 -0.094 0.000 1.182 191 P CA 0.927 63.960 63.100 -0.112 0.000 0.761 191 P CB 0.173 31.844 31.700 -0.047 0.000 0.795 192 Q N 1.170 120.883 119.800 -0.145 0.000 2.457 192 Q HA -0.205 4.135 4.340 0.000 0.000 0.283 192 Q C 1.075 177.029 176.000 -0.077 0.000 1.234 192 Q CA 0.774 56.498 55.803 -0.132 0.000 0.877 192 Q CB -2.325 26.349 28.738 -0.107 0.000 1.250 192 Q HN 0.784 nan 8.270 nan 0.000 0.481 193 G N -0.328 108.379 108.800 -0.155 0.000 2.956 193 G HA2 0.140 4.100 3.960 0.000 0.000 0.207 193 G HA3 0.140 4.100 3.960 0.000 0.000 0.207 193 G C 0.434 175.324 174.900 -0.018 0.000 1.162 193 G CA -0.266 44.704 45.100 -0.216 0.000 0.796 193 G HN 0.225 nan 8.290 nan 0.000 0.527 194 M N 0.908 120.464 119.600 -0.074 0.000 2.108 194 M HA 0.412 4.892 4.480 0.000 0.000 0.354 194 M C -1.254 174.976 176.300 -0.117 0.000 1.229 194 M CA -0.292 55.033 55.300 0.042 0.000 1.081 194 M CB 1.173 33.846 32.600 0.122 0.000 1.606 194 M HN 0.057 nan 8.290 nan 0.000 0.467 195 Y N 1.492 121.968 120.300 0.294 0.000 2.485 195 Y HA 0.674 5.224 4.550 0.000 0.000 0.345 195 Y C -0.431 175.646 175.900 0.294 0.000 0.998 195 Y CA -0.869 57.404 58.100 0.289 0.000 1.059 195 Y CB 2.079 40.682 38.460 0.240 0.000 1.234 195 Y HN 0.393 nan 8.280 nan 0.000 0.461 196 V N 2.190 122.309 119.914 0.341 0.000 2.735 196 V HA 0.692 4.812 4.120 0.000 0.000 0.310 196 V C -0.808 175.146 176.094 -0.233 0.000 1.061 196 V CA -0.217 62.004 62.300 -0.133 0.000 0.913 196 V CB 2.131 33.642 31.823 -0.520 0.000 1.005 196 V HN 0.860 nan 8.190 nan 0.000 0.428 197 T N 3.210 117.344 114.554 -0.700 0.000 2.932 197 T HA 0.597 4.948 4.350 0.000 0.000 0.289 197 T C -0.161 173.979 174.700 -0.934 0.000 1.039 197 T CA -0.129 61.410 62.100 -0.935 0.000 1.024 197 T CB 1.310 69.214 68.868 -1.606 0.000 1.090 197 T HN 0.902 nan 8.240 nan 0.000 0.496 198 H N 0.405 119.247 119.070 -0.379 0.000 3.233 198 H HA 0.259 4.815 4.556 0.000 0.000 0.263 198 H C -0.321 174.864 175.328 -0.238 0.000 1.168 198 H CA -0.245 55.641 56.048 -0.269 0.000 1.159 198 H CB 0.644 30.289 29.762 -0.194 0.000 1.593 198 H HN 0.584 nan 8.280 nan 0.000 0.580 199 D N -0.758 119.520 120.400 -0.205 0.000 2.804 199 D HA 0.212 4.852 4.640 0.000 0.000 0.308 199 D C 1.364 177.562 176.300 -0.170 0.000 1.371 199 D CA 0.012 53.917 54.000 -0.158 0.000 0.823 199 D CB 0.142 40.870 40.800 -0.121 0.000 1.126 199 D HN 0.229 nan 8.370 nan 0.000 0.467 200 G N -0.336 108.338 108.800 -0.210 0.000 2.153 200 G HA2 -0.045 3.916 3.960 0.000 0.000 0.252 200 G HA3 -0.045 3.916 3.960 0.000 0.000 0.252 200 G C 1.156 176.034 174.900 -0.037 0.000 0.994 200 G CA 0.337 45.378 45.100 -0.097 0.000 0.698 200 G HN 1.511 nan 8.290 nan 0.000 0.521 201 G N -2.810 105.764 108.800 -0.378 0.000 2.159 201 G HA2 -0.125 3.835 3.960 0.000 0.000 0.227 201 G HA3 -0.125 3.835 3.960 0.000 0.000 0.227 201 G C 1.220 176.016 174.900 -0.173 0.000 0.986 201 G CA 0.957 45.810 45.100 -0.411 0.000 0.651 201 G HN 1.384 nan 8.290 nan 0.000 0.523 202 V N 0.856 120.671 119.914 -0.165 0.000 2.358 202 V HA 0.117 4.237 4.120 0.000 0.000 0.246 202 V C 1.681 177.724 176.094 -0.084 0.000 1.047 202 V CA 2.458 64.719 62.300 -0.065 0.000 1.035 202 V CB -0.123 31.666 31.823 -0.056 0.000 0.658 202 V HN 1.283 nan 8.190 nan 0.000 0.452 203 S N -2.401 113.157 115.700 -0.236 0.000 2.548 203 S HA 0.645 5.115 4.470 0.000 0.000 0.286 203 S C -1.646 172.741 174.600 -0.354 0.000 1.098 203 S CA -0.821 57.290 58.200 -0.148 0.000 0.930 203 S CB 1.662 64.819 63.200 -0.071 0.000 1.070 203 S HN 0.259 nan 8.310 nan 0.000 0.480 204 W N 0.622 121.915 121.300 -0.012 0.000 2.739 204 W HA 0.622 5.282 4.660 -0.000 0.000 0.331 204 W C -0.542 176.043 176.519 0.110 0.000 1.049 204 W CA -0.354 57.000 57.345 0.015 0.000 1.234 204 W CB 1.640 31.076 29.460 -0.040 0.000 1.404 204 W HN 0.599 nan 8.180 nan 0.000 0.477 205 E N 4.134 124.546 120.200 0.353 0.000 2.191 205 E HA 0.404 4.754 4.350 0.000 0.000 0.274 205 E C -2.314 174.506 176.600 0.367 0.000 0.948 205 E CA -2.138 54.441 56.400 0.298 0.000 0.802 205 E CB 1.084 30.886 29.700 0.171 0.000 1.137 205 E HN -0.034 nan 8.360 nan 0.000 0.397 206 P HA -0.012 nan 4.420 nan 0.000 0.271 206 P C -0.344 176.961 177.300 0.010 0.000 1.216 206 P CA -0.276 62.738 63.100 -0.144 0.000 0.776 206 P CB 0.577 32.184 31.700 -0.156 0.000 0.881 207 V N 3.080 123.009 119.914 0.025 0.000 2.420 207 V HA 0.049 4.169 4.120 0.000 0.000 0.274 207 V C 1.362 177.568 176.094 0.187 0.000 1.003 207 V CA -0.091 62.324 62.300 0.191 0.000 1.092 207 V CB -1.066 30.965 31.823 0.346 0.000 1.002 207 V HN 0.699 nan 8.190 nan 0.000 0.473 208 A N 4.747 127.677 122.820 0.183 0.000 2.567 208 A HA 0.443 4.763 4.320 0.000 0.000 0.240 208 A C 1.627 179.370 177.584 0.264 0.000 1.053 208 A CA 0.679 52.809 52.037 0.155 0.000 0.755 208 A CB -0.429 18.653 19.000 0.136 0.000 0.978 208 A HN 2.160 nan 8.150 nan 0.000 0.507 209 G N 1.026 109.854 108.800 0.046 0.000 2.175 209 G HA2 -0.258 3.702 3.960 0.000 0.000 0.244 209 G HA3 -0.258 3.702 3.960 0.000 0.000 0.244 209 G C 0.324 174.747 174.900 -0.796 0.000 0.982 209 G CA 0.401 45.422 45.100 -0.133 0.000 0.641 209 G HN 1.624 nan 8.290 nan 0.000 0.527 210 Q N 0.592 119.970 119.800 -0.703 0.000 2.386 210 Q HA 0.412 4.752 4.340 0.000 0.000 0.282 210 Q C -2.447 172.922 176.000 -1.051 0.000 1.050 210 Q CA -1.095 54.001 55.803 -1.179 0.000 0.918 210 Q CB 0.078 28.483 28.738 -0.554 0.000 1.266 210 Q HN 0.226 nan 8.270 nan 0.000 0.423 211 P HA -0.078 nan 4.420 nan 0.000 0.261 211 P C -0.212 176.655 177.300 -0.722 0.000 1.183 211 P CA 0.455 62.888 63.100 -1.110 0.000 0.761 211 P CB 0.646 31.480 31.700 -1.442 0.000 0.785 212 S N 0.685 116.058 115.700 -0.546 0.000 2.559 212 S HA 0.275 4.746 4.470 0.000 0.000 0.226 212 S C 0.454 174.861 174.600 -0.321 0.000 1.000 212 S CA 0.056 58.034 58.200 -0.370 0.000 0.948 212 S CB -0.138 62.903 63.200 -0.266 0.000 0.870 212 S HN 0.492 nan 8.310 nan 0.000 0.497 213 S N -0.886 114.587 115.700 -0.377 0.000 2.656 213 S HA 0.676 5.146 4.470 0.000 0.000 0.273 213 S C -1.614 172.770 174.600 -0.359 0.000 1.168 213 S CA -1.211 56.815 58.200 -0.289 0.000 0.817 213 S CB -0.210 62.923 63.200 -0.111 0.000 1.146 213 S HN 0.394 nan 8.310 nan 0.000 0.475 214 W N 1.093 122.333 121.300 -0.101 0.000 2.238 214 W HA 0.517 5.177 4.660 0.000 0.000 0.321 214 W C 0.164 176.674 176.519 -0.014 0.000 1.293 214 W CA -0.708 56.602 57.345 -0.059 0.000 1.204 214 W CB 0.420 29.823 29.460 -0.096 0.000 1.167 214 W HN 0.508 nan 8.180 nan 0.000 0.553 215 L N 2.706 124.108 121.223 0.298 0.000 2.485 215 L HA -0.110 4.230 4.340 0.000 0.000 0.275 215 L C 1.689 178.670 176.870 0.185 0.000 1.207 215 L CA 0.073 55.045 54.840 0.220 0.000 0.855 215 L CB 0.227 42.423 42.059 0.227 0.000 1.114 215 L HN 0.598 nan 8.230 nan 0.000 0.485 216 N N 1.629 120.399 118.700 0.117 0.000 2.364 216 N HA -0.170 4.570 4.740 0.000 0.000 0.183 216 N C 1.856 177.414 175.510 0.081 0.000 1.022 216 N CA 1.044 54.142 53.050 0.080 0.000 0.883 216 N CB 0.089 38.605 38.487 0.049 0.000 0.965 216 N HN 0.523 nan 8.380 nan 0.000 0.438 217 R N -0.471 120.087 120.500 0.096 0.000 2.073 217 R HA -0.086 4.255 4.340 0.000 0.000 0.234 217 R C 1.382 177.765 176.300 0.139 0.000 1.134 217 R CA 1.905 58.058 56.100 0.088 0.000 0.952 217 R CB -0.511 29.832 30.300 0.072 0.000 0.850 217 R HN 0.261 nan 8.270 nan 0.000 0.433 218 T N 0.057 114.738 114.554 0.212 0.000 2.622 218 T HA -0.164 4.186 4.350 0.000 0.000 0.266 218 T C 1.870 176.764 174.700 0.324 0.000 1.047 218 T CA 2.226 64.519 62.100 0.322 0.000 1.159 218 T CB -0.553 68.578 68.868 0.438 0.000 0.863 218 T HN 0.573 nan 8.240 nan 0.000 0.422 219 T N 0.197 114.818 114.554 0.112 0.000 2.851 219 T HA 0.081 4.431 4.350 0.000 0.000 0.262 219 T C 2.341 177.099 174.700 0.097 0.000 1.043 219 T CA 1.111 63.179 62.100 -0.052 0.000 1.140 219 T CB -1.043 67.691 68.868 -0.223 0.000 0.872 219 T HN 0.398 nan 8.240 nan 0.000 0.446 220 G N 1.333 110.170 108.800 0.061 0.000 2.462 220 G HA2 0.037 3.997 3.960 0.000 0.000 0.220 220 G HA3 0.037 3.997 3.960 0.000 0.000 0.220 220 G C 1.822 176.704 174.900 -0.030 0.000 1.121 220 G CA 0.704 45.816 45.100 0.019 0.000 0.758 220 G HN 0.728 nan 8.290 nan 0.000 0.559 221 A N -0.186 122.619 122.820 -0.025 0.000 2.024 221 A HA 0.243 4.563 4.320 0.000 0.000 0.220 221 A C 0.615 177.736 177.584 -0.772 0.000 1.164 221 A CA 0.683 52.523 52.037 -0.328 0.000 0.643 221 A CB -0.225 18.649 19.000 -0.211 0.000 0.806 221 A HN 0.358 nan 8.150 nan 0.000 0.451 222 F N -2.251 117.798 119.950 0.166 0.000 2.872 222 F HA 0.331 4.858 4.527 0.000 0.000 0.363 222 F C -2.334 173.506 175.800 0.066 0.000 1.357 222 F CA -1.563 56.499 58.000 0.104 0.000 1.174 222 F CB 1.308 40.385 39.000 0.128 0.000 1.860 222 F HN -0.050 nan 8.300 nan 0.000 0.615 223 P HA -0.120 nan 4.420 nan 0.000 0.223 223 P C 1.167 178.473 177.300 0.010 0.000 1.151 223 P CA 1.217 64.339 63.100 0.037 0.000 0.787 223 P CB 0.183 31.883 31.700 -0.001 0.000 0.788 224 D N -1.321 119.078 120.400 -0.002 0.000 2.363 224 D HA -0.059 4.581 4.640 0.000 0.000 0.220 224 D C 0.284 176.528 176.300 -0.092 0.000 0.994 224 D CA 0.785 54.755 54.000 -0.050 0.000 0.890 224 D CB -0.234 40.528 40.800 -0.064 0.000 0.906 224 D HN 0.095 nan 8.370 nan 0.000 0.530 225 K N 0.981 121.340 120.400 -0.069 0.000 2.244 225 K HA 0.315 4.635 4.320 0.000 0.000 0.260 225 K C 0.046 176.686 176.600 0.068 0.000 0.951 225 K CA -0.624 55.612 56.287 -0.085 0.000 0.826 225 K CB 2.464 34.691 32.500 -0.455 0.000 1.108 225 K HN -0.104 nan 8.250 nan 0.000 0.433 226 K N 3.478 123.893 120.400 0.025 0.000 2.234 226 K HA 0.309 4.629 4.320 0.000 0.000 0.277 226 K C -2.371 174.199 176.600 -0.048 0.000 1.038 226 K CA -1.840 54.406 56.287 -0.068 0.000 0.888 226 K CB 1.204 33.677 32.500 -0.045 0.000 1.091 226 K HN 0.295 nan 8.250 nan 0.000 0.467 227 P HA 0.019 nan 4.420 nan 0.000 0.268 227 P C 0.049 177.311 177.300 -0.064 0.000 1.204 227 P CA 0.051 62.923 63.100 -0.379 0.000 0.768 227 P CB 0.749 31.759 31.700 -1.150 0.000 0.842 228 A N 2.216 125.088 122.820 0.087 0.000 2.168 228 A HA 0.059 4.379 4.320 0.000 0.000 0.215 228 A C 0.914 178.608 177.584 0.182 0.000 1.152 228 A CA 0.989 53.103 52.037 0.129 0.000 0.716 228 A CB -0.640 18.444 19.000 0.141 0.000 0.794 228 A HN 0.625 nan 8.150 nan 0.000 0.465 229 S N -1.262 114.588 115.700 0.250 0.000 2.566 229 S HA 0.506 4.976 4.470 0.000 0.000 0.298 229 S C 0.796 175.601 174.600 0.341 0.000 1.083 229 S CA -0.198 58.163 58.200 0.269 0.000 0.978 229 S CB 1.172 64.547 63.200 0.292 0.000 1.073 229 S HN 0.574 nan 8.310 nan 0.000 0.491 230 I N -0.725 119.970 120.570 0.210 0.000 2.567 230 I HA 0.340 4.511 4.170 0.000 0.000 0.257 230 I C 0.759 176.985 176.117 0.182 0.000 1.184 230 I CA 0.771 62.180 61.300 0.181 0.000 1.451 230 I CB -0.557 37.488 38.000 0.076 0.000 1.089 230 I HN 0.744 nan 8.210 nan 0.000 0.441 231 A N 0.039 122.892 122.820 0.055 0.000 2.606 231 A HA 0.747 5.067 4.320 0.000 0.000 0.293 231 A C -2.870 174.307 177.584 -0.678 0.000 1.082 231 A CA -1.579 50.179 52.037 -0.465 0.000 0.685 231 A CB 0.563 19.341 19.000 -0.369 0.000 1.284 231 A HN -0.121 nan 8.150 nan 0.000 0.408 232 P HA 0.146 nan 4.420 nan 0.000 0.264 232 P C -0.961 176.197 177.300 -0.237 0.000 1.183 232 P CA 0.625 63.102 63.100 -1.038 0.000 0.763 232 P CB 0.250 31.206 31.700 -1.241 0.000 0.807 233 Q N 4.808 124.664 119.800 0.094 0.000 2.322 233 Q HA 0.389 4.729 4.340 0.000 0.000 0.265 233 Q C -2.345 173.727 176.000 0.119 0.000 0.985 233 Q CA -2.520 53.334 55.803 0.084 0.000 0.849 233 Q CB 0.824 29.558 28.738 -0.007 0.000 1.274 233 Q HN 0.307 nan 8.270 nan 0.000 0.449 234 P HA -0.116 nan 4.420 nan 0.000 0.263 234 P C -0.238 176.925 177.300 -0.227 0.000 1.175 234 P CA 0.649 63.522 63.100 -0.378 0.000 0.761 234 P CB 0.582 32.141 31.700 -0.235 0.000 0.794 235 M N 1.701 121.164 119.600 -0.229 0.000 3.160 235 M HA 0.190 4.670 4.480 0.000 0.000 0.222 235 M C 0.531 176.783 176.300 -0.080 0.000 1.703 235 M CA 1.406 56.644 55.300 -0.103 0.000 1.354 235 M CB -0.414 32.169 32.600 -0.027 0.000 1.115 235 M HN 0.200 nan 8.290 nan 0.000 0.594 236 K N 0.470 120.830 120.400 -0.067 0.000 2.340 236 K HA 0.719 5.039 4.320 0.000 0.000 0.244 236 K C -1.301 175.283 176.600 -0.027 0.000 0.973 236 K CA -0.553 55.721 56.287 -0.023 0.000 0.828 236 K CB 3.339 35.853 32.500 0.023 0.000 1.226 236 K HN -0.084 nan 8.250 nan 0.000 0.437 237 V N 0.878 120.797 119.914 0.010 0.000 2.789 237 V HA 0.709 4.830 4.120 0.000 0.000 0.311 237 V C -1.081 175.043 176.094 0.050 0.000 1.073 237 V CA -0.903 61.408 62.300 0.018 0.000 0.921 237 V CB 1.732 33.555 31.823 0.001 0.000 1.009 237 V HN 0.923 nan 8.190 nan 0.000 0.426 238 A N 3.774 126.643 122.820 0.082 0.000 2.414 238 A HA 0.943 5.263 4.320 0.000 0.000 0.306 238 A C -1.598 176.038 177.584 0.087 0.000 1.054 238 A CA -0.545 51.559 52.037 0.111 0.000 0.724 238 A CB 1.734 20.835 19.000 0.169 0.000 1.267 238 A HN 0.805 nan 8.150 nan 0.000 0.418 239 L N 0.992 122.249 121.223 0.058 0.000 2.346 239 L HA 0.885 5.225 4.340 0.000 0.000 0.274 239 L C -0.106 176.808 176.870 0.073 0.000 1.007 239 L CA 0.408 55.248 54.840 -0.001 0.000 0.818 239 L CB 2.296 44.341 42.059 -0.024 0.000 1.284 239 L HN 0.763 nan 8.230 nan 0.000 0.424 240 T N 4.177 118.762 114.554 0.051 0.000 2.868 240 T HA 0.404 4.754 4.350 0.000 0.000 0.306 240 T C -2.281 172.416 174.700 -0.005 0.000 1.224 240 T CA -0.803 61.338 62.100 0.069 0.000 1.012 240 T CB 2.041 71.009 68.868 0.167 0.000 1.221 240 T HN 0.402 nan 8.240 nan 0.000 0.499 241 P HA -0.074 nan 4.420 nan 0.000 0.217 241 P C 0.773 177.995 177.300 -0.129 0.000 1.151 241 P CA 1.240 64.308 63.100 -0.054 0.000 0.849 241 P CB 0.272 31.938 31.700 -0.058 0.000 0.787 242 N N -3.223 115.313 118.700 -0.272 0.000 2.143 242 N HA 0.085 4.825 4.740 0.000 0.000 0.222 242 N C -0.737 174.459 175.510 -0.523 0.000 1.264 242 N CA -0.065 52.736 53.050 -0.414 0.000 0.897 242 N CB 0.613 38.783 38.487 -0.529 0.000 1.092 242 N HN -0.077 nan 8.380 nan 0.000 0.516 243 F N 1.142 120.964 119.950 -0.214 0.000 2.532 243 F HA 0.517 5.044 4.527 0.000 0.000 0.321 243 F C -0.003 175.543 175.800 -0.425 0.000 1.089 243 F CA -0.656 57.102 58.000 -0.403 0.000 0.926 243 F CB 1.447 40.046 39.000 -0.669 0.000 1.168 243 F HN -0.241 nan 8.300 nan 0.000 0.459 244 L N 3.267 124.327 121.223 -0.271 0.000 2.295 244 L HA 0.444 4.784 4.340 0.000 0.000 0.285 244 L C -1.290 175.388 176.870 -0.320 0.000 1.035 244 L CA -0.728 53.925 54.840 -0.313 0.000 0.806 244 L CB 1.133 42.965 42.059 -0.378 0.000 1.214 244 L HN 0.544 nan 8.230 nan 0.000 0.426 245 Y N 2.526 122.818 120.300 -0.013 0.000 2.393 245 Y HA 0.614 5.164 4.550 0.000 0.000 0.341 245 Y C -0.183 175.753 175.900 0.059 0.000 0.988 245 Y CA -0.826 57.300 58.100 0.044 0.000 1.078 245 Y CB 2.124 40.613 38.460 0.048 0.000 1.203 245 Y HN 0.105 nan 8.280 nan 0.000 0.453 246 V N 1.748 121.833 119.914 0.285 0.000 2.733 246 V HA 0.466 4.586 4.120 0.000 0.000 0.306 246 V C -0.486 175.626 176.094 0.031 0.000 1.084 246 V CA -1.135 61.216 62.300 0.085 0.000 0.905 246 V CB 1.983 33.817 31.823 0.019 0.000 1.010 246 V HN 0.835 nan 8.190 nan 0.000 0.424 247 T N 1.002 115.508 114.554 -0.081 0.000 2.875 247 T HA 0.779 5.129 4.350 0.000 0.000 0.284 247 T C -0.997 173.607 174.700 -0.160 0.000 0.995 247 T CA -0.462 61.643 62.100 0.009 0.000 1.060 247 T CB 1.179 70.113 68.868 0.109 0.000 0.967 247 T HN 0.406 nan 8.240 nan 0.000 0.476 248 Y N 0.301 120.735 120.300 0.224 0.000 2.536 248 Y HA 0.730 5.280 4.550 0.000 0.000 0.347 248 Y C 0.281 176.365 175.900 0.308 0.000 1.000 248 Y CA -0.799 57.420 58.100 0.199 0.000 1.051 248 Y CB 2.383 40.935 38.460 0.154 0.000 1.259 248 Y HN 1.189 nan 8.280 nan 0.000 0.468 249 A N 0.667 123.754 122.820 0.444 0.000 2.588 249 A HA 0.439 4.759 4.320 0.000 0.000 0.290 249 A C -0.795 177.125 177.584 0.559 0.000 1.136 249 A CA -0.444 51.882 52.037 0.481 0.000 0.681 249 A CB 1.063 20.232 19.000 0.281 0.000 1.282 249 A HN 0.735 nan 8.150 nan 0.000 0.421 250 D N -1.084 119.667 120.400 0.585 0.000 2.368 250 D HA 0.261 4.901 4.640 0.000 0.000 0.218 250 D C -0.484 176.068 176.300 0.419 0.000 1.112 250 D CA 0.335 54.691 54.000 0.593 0.000 0.834 250 D CB 0.276 41.337 40.800 0.436 0.000 0.953 250 D HN 0.368 nan 8.370 nan 0.000 0.505 251 Y N -0.524 119.849 120.300 0.122 0.000 2.573 251 Y HA 0.252 4.802 4.550 0.000 0.000 0.328 251 Y C -2.328 173.532 175.900 -0.068 0.000 1.170 251 Y CA -1.576 56.523 58.100 -0.001 0.000 1.078 251 Y CB 1.606 40.042 38.460 -0.040 0.000 1.341 251 Y HN -0.349 nan 8.280 nan 0.000 0.459 252 P HA 0.133 nan 4.420 nan 0.000 0.220 252 P C 0.255 177.359 177.300 -0.327 0.000 1.148 252 P CA 2.145 64.995 63.100 -0.417 0.000 0.803 252 P CB 0.174 31.562 31.700 -0.520 0.000 0.782 253 G N -0.560 108.026 108.800 -0.357 0.000 2.760 253 G HA2 -0.153 3.807 3.960 0.000 0.000 0.246 253 G HA3 -0.153 3.807 3.960 0.000 0.000 0.246 253 G C -2.120 172.476 174.900 -0.507 0.000 1.359 253 G CA -0.141 44.757 45.100 -0.336 0.000 0.861 253 G HN -0.015 nan 8.290 nan 0.000 0.541 254 P HA 0.117 nan 4.420 nan 0.000 0.229 254 P C 0.727 177.569 177.300 -0.764 0.000 1.160 254 P CA 1.802 64.429 63.100 -0.788 0.000 0.777 254 P CB 0.010 30.920 31.700 -1.317 0.000 0.814 255 W N -2.392 118.653 121.300 -0.424 0.000 2.894 255 W HA 0.534 5.195 4.660 0.000 0.000 0.345 255 W C 0.487 177.037 176.519 0.051 0.000 1.152 255 W CA -0.572 56.731 57.345 -0.071 0.000 1.089 255 W CB 0.303 29.851 29.460 0.148 0.000 1.454 255 W HN 0.178 nan 8.180 nan 0.000 0.589 256 G N -0.070 108.956 108.800 0.377 0.000 2.176 256 G HA2 -0.265 3.695 3.960 0.000 0.000 0.253 256 G HA3 -0.265 3.695 3.960 0.000 0.000 0.253 256 G C -0.402 174.416 174.900 -0.137 0.000 0.979 256 G CA 0.075 45.208 45.100 0.055 0.000 0.641 256 G HN 0.529 nan 8.290 nan 0.000 0.530 257 V N 1.613 121.537 119.914 0.017 0.000 2.614 257 V HA 0.532 4.652 4.120 0.000 0.000 0.291 257 V C 1.535 177.557 176.094 -0.120 0.000 1.049 257 V CA 1.243 63.560 62.300 0.028 0.000 1.038 257 V CB 1.409 33.263 31.823 0.051 0.000 0.980 257 V HN 0.732 nan 8.190 nan 0.000 0.481 258 T N 0.208 114.682 114.554 -0.134 0.000 2.966 258 T HA 0.381 4.731 4.350 0.000 0.000 0.254 258 T C -0.034 174.286 174.700 -0.633 0.000 0.961 258 T CA 0.069 61.900 62.100 -0.450 0.000 0.915 258 T CB 0.200 68.853 68.868 -0.357 0.000 1.186 258 T HN 0.249 nan 8.240 nan 0.000 0.505 259 F N 0.572 120.474 119.950 -0.079 0.000 2.629 259 F HA 0.772 5.299 4.527 0.000 0.000 0.316 259 F C 0.549 176.485 175.800 0.227 0.000 1.081 259 F CA -0.489 57.476 58.000 -0.059 0.000 0.954 259 F CB 2.365 41.071 39.000 -0.490 0.000 1.337 259 F HN 0.372 nan 8.300 nan 0.000 0.474 260 G N 0.725 109.927 108.800 0.670 0.000 2.338 260 G HA2 0.558 4.518 3.960 0.000 0.000 0.295 260 G HA3 0.558 4.518 3.960 0.000 0.000 0.295 260 G C -2.197 173.190 174.900 0.811 0.000 1.461 260 G CA -0.859 44.744 45.100 0.839 0.000 0.817 260 G HN 0.547 nan 8.290 nan 0.000 0.556 261 E N -1.764 118.834 120.200 0.662 0.000 2.449 261 E HA 0.638 4.988 4.350 0.000 0.000 0.278 261 E C -1.179 175.508 176.600 0.145 0.000 0.992 261 E CA -1.156 55.421 56.400 0.295 0.000 0.807 261 E CB 3.071 32.974 29.700 0.338 0.000 1.350 261 E HN 1.129 nan 8.360 nan 0.000 0.462 262 V N -1.060 118.740 119.914 -0.191 0.000 2.709 262 V HA 0.747 4.867 4.120 0.000 0.000 0.308 262 V C -1.908 174.194 176.094 0.012 0.000 1.062 262 V CA -0.431 61.866 62.300 -0.005 0.000 0.901 262 V CB 0.968 32.624 31.823 -0.278 0.000 1.003 262 V HN 0.712 nan 8.190 nan 0.000 0.425 263 W N 3.391 124.872 121.300 0.301 0.000 2.864 263 W HA 0.800 5.461 4.660 0.000 0.000 0.343 263 W C -0.109 176.603 176.519 0.321 0.000 1.109 263 W CA -0.633 56.922 57.345 0.349 0.000 1.192 263 W CB 2.098 31.855 29.460 0.496 0.000 1.426 263 W HN 0.747 nan 8.180 nan 0.000 0.529 264 R N 2.560 123.321 120.500 0.436 0.000 2.513 264 R HA 0.314 4.654 4.340 0.000 0.000 0.301 264 R C -0.919 175.294 176.300 -0.145 0.000 0.968 264 R CA -0.561 55.544 56.100 0.009 0.000 0.872 264 R CB 1.798 31.953 30.300 -0.241 0.000 1.177 264 R HN 0.650 nan 8.270 nan 0.000 0.444 265 Q N 3.320 122.804 119.800 -0.527 0.000 2.256 265 Q HA 0.153 4.493 4.340 0.000 0.000 0.257 265 Q C -0.998 174.801 176.000 -0.335 0.000 0.936 265 Q CA -0.664 54.628 55.803 -0.852 0.000 0.903 265 Q CB 1.412 29.157 28.738 -1.655 0.000 1.263 265 Q HN 0.561 nan 8.270 nan 0.000 0.440 266 N N 3.437 122.020 118.700 -0.194 0.000 2.401 266 N HA 0.049 4.789 4.740 0.000 0.000 0.255 266 N C 0.365 175.802 175.510 -0.121 0.000 1.110 266 N CA 0.289 53.331 53.050 -0.014 0.000 0.949 266 N CB 0.613 39.122 38.487 0.037 0.000 1.110 266 N HN 0.640 nan 8.380 nan 0.000 0.490 267 R N 1.801 122.233 120.500 -0.113 0.000 2.241 267 R HA -0.060 4.280 4.340 0.000 0.000 0.224 267 R C 1.088 177.363 176.300 -0.042 0.000 1.101 267 R CA 1.197 57.259 56.100 -0.063 0.000 0.995 267 R CB 0.110 30.389 30.300 -0.035 0.000 0.870 267 R HN 0.534 nan 8.270 nan 0.000 0.463 268 T N 0.008 114.520 114.554 -0.069 0.000 2.837 268 T HA -0.069 4.281 4.350 0.000 0.000 0.248 268 T C 2.003 176.681 174.700 -0.037 0.000 1.033 268 T CA 1.475 63.541 62.100 -0.055 0.000 1.150 268 T CB 0.011 68.837 68.868 -0.071 0.000 0.865 268 T HN 0.360 nan 8.240 nan 0.000 0.425 269 S N 0.401 116.082 115.700 -0.033 0.000 2.436 269 S HA 0.260 4.730 4.470 0.000 0.000 0.228 269 S C 2.018 176.617 174.600 -0.002 0.000 1.014 269 S CA 0.955 59.147 58.200 -0.012 0.000 0.950 269 S CB -0.424 62.775 63.200 -0.001 0.000 0.784 269 S HN 0.762 nan 8.310 nan 0.000 0.504 270 G N 1.145 109.925 108.800 -0.033 0.000 2.179 270 G HA2 -0.150 3.810 3.960 0.000 0.000 0.260 270 G HA3 -0.150 3.810 3.960 0.000 0.000 0.260 270 G C 0.254 175.131 174.900 -0.039 0.000 0.977 270 G CA 0.107 45.187 45.100 -0.033 0.000 0.641 270 G HN 1.305 nan 8.290 nan 0.000 0.533 271 A N -0.675 122.134 122.820 -0.018 0.000 2.388 271 A HA 0.597 4.917 4.320 0.000 0.000 0.257 271 A C -0.023 177.573 177.584 0.021 0.000 1.095 271 A CA 0.159 52.246 52.037 0.084 0.000 0.791 271 A CB 0.381 19.432 19.000 0.084 0.000 1.029 271 A HN 0.630 nan 8.150 nan 0.000 0.489 272 W N 0.267 121.633 121.300 0.110 0.000 2.578 272 W HA 0.526 5.187 4.660 0.000 0.000 0.346 272 W C -0.583 176.103 176.519 0.278 0.000 1.075 272 W CA -0.088 57.378 57.345 0.203 0.000 1.233 272 W CB 1.576 31.137 29.460 0.169 0.000 1.358 272 W HN 0.544 nan 8.180 nan 0.000 0.574 273 D N 1.476 122.178 120.400 0.503 0.000 2.649 273 D HA 0.036 4.676 4.640 0.000 0.000 0.249 273 D C -1.309 174.992 176.300 0.002 0.000 1.112 273 D CA -0.597 53.541 54.000 0.231 0.000 0.850 273 D CB 2.111 42.935 40.800 0.040 0.000 1.399 273 D HN 0.258 nan 8.370 nan 0.000 0.503 274 D N 2.097 122.174 120.400 -0.537 0.000 2.342 274 D HA 0.068 4.708 4.640 0.000 0.000 0.260 274 D C 0.959 176.952 176.300 -0.510 0.000 1.278 274 D CA -0.176 53.121 54.000 -1.171 0.000 0.910 274 D CB 0.259 40.350 40.800 -1.182 0.000 1.079 274 D HN 0.424 nan 8.370 nan 0.000 0.496 275 I N 0.295 120.646 120.570 -0.364 0.000 3.941 275 I HA 0.228 4.398 4.170 0.000 0.000 0.335 275 I C 0.260 176.366 176.117 -0.018 0.000 1.402 275 I CA -0.627 60.635 61.300 -0.063 0.000 1.112 275 I CB -0.000 38.062 38.000 0.104 0.000 1.043 275 I HN -0.016 nan 8.210 nan 0.000 0.395 276 T N 4.959 119.325 114.554 -0.315 0.000 2.822 276 T HA 0.065 4.415 4.350 0.000 0.000 0.288 276 T C -2.272 172.171 174.700 -0.430 0.000 0.991 276 T CA -0.177 61.630 62.100 -0.488 0.000 1.176 276 T CB -0.287 68.350 68.868 -0.385 0.000 0.951 276 T HN 0.145 nan 8.240 nan 0.000 0.526 277 P HA 0.117 nan 4.420 nan 0.000 0.260 277 P C 0.075 177.129 177.300 -0.411 0.000 1.185 277 P CA 0.180 62.718 63.100 -0.935 0.000 0.763 277 P CB 0.395 30.919 31.700 -1.961 0.000 0.776 278 R N 0.719 121.097 120.500 -0.204 0.000 2.762 278 R HA 0.523 4.864 4.340 0.000 0.000 0.271 278 R C -1.433 174.862 176.300 -0.009 0.000 1.038 278 R CA -1.068 54.996 56.100 -0.060 0.000 0.906 278 R CB 0.231 30.507 30.300 -0.041 0.000 1.259 278 R HN -0.031 nan 8.270 nan 0.000 0.457 279 V N 1.227 121.151 119.914 0.017 0.000 2.540 279 V HA 0.309 4.429 4.120 0.000 0.000 0.297 279 V C 1.420 177.522 176.094 0.013 0.000 1.024 279 V CA 1.760 64.074 62.300 0.023 0.000 1.105 279 V CB 0.260 32.095 31.823 0.019 0.000 0.938 279 V HN 1.112 nan 8.190 nan 0.000 0.482 280 G N 4.576 113.387 108.800 0.018 0.000 2.279 280 G HA2 -0.247 3.713 3.960 0.000 0.000 0.223 280 G HA3 -0.247 3.713 3.960 0.000 0.000 0.223 280 G C 0.548 175.459 174.900 0.019 0.000 1.015 280 G CA 0.319 45.427 45.100 0.013 0.000 0.621 280 G HN 0.987 nan 8.290 nan 0.000 0.506 281 N N 0.264 118.986 118.700 0.036 0.000 2.197 281 N HA 0.342 5.082 4.740 0.000 0.000 0.228 281 N C 0.160 175.751 175.510 0.136 0.000 1.212 281 N CA 1.003 54.092 53.050 0.065 0.000 0.883 281 N CB 0.323 38.855 38.487 0.075 0.000 1.107 281 N HN 1.095 nan 8.380 nan 0.000 0.519 282 S N -1.366 114.400 115.700 0.110 0.000 2.546 282 S HA 0.732 5.203 4.470 0.000 0.000 0.274 282 S C -1.075 173.593 174.600 0.114 0.000 1.121 282 S CA -0.727 57.565 58.200 0.154 0.000 0.887 282 S CB 2.084 65.358 63.200 0.123 0.000 1.094 282 S HN 0.101 nan 8.310 nan 0.000 0.474 283 S N 1.570 117.342 115.700 0.121 0.000 2.548 283 S HA 0.761 5.231 4.470 0.000 0.000 0.276 283 S C -3.045 171.582 174.600 0.045 0.000 1.129 283 S CA -1.354 56.887 58.200 0.068 0.000 0.931 283 S CB 1.232 64.459 63.200 0.045 0.000 1.068 283 S HN 0.549 nan 8.310 nan 0.000 0.480 284 P HA 0.297 nan 4.420 nan 0.000 0.271 284 P C -0.820 176.503 177.300 0.038 0.000 1.244 284 P CA -0.295 62.810 63.100 0.008 0.000 0.793 284 P CB 0.296 31.980 31.700 -0.026 0.000 0.984 285 A N 2.132 124.987 122.820 0.057 0.000 2.406 285 A HA 0.384 4.704 4.320 0.000 0.000 0.243 285 A C -2.058 175.600 177.584 0.123 0.000 1.082 285 A CA -0.993 51.092 52.037 0.080 0.000 0.786 285 A CB -1.596 17.440 19.000 0.060 0.000 1.029 285 A HN 0.419 nan 8.150 nan 0.000 0.495 286 P HA 0.023 nan 4.420 nan 0.000 0.266 286 P C -0.487 176.965 177.300 0.255 0.000 1.195 286 P CA 0.299 63.534 63.100 0.226 0.000 0.768 286 P CB 0.069 31.881 31.700 0.187 0.000 0.838 287 Y N 2.974 123.429 120.300 0.258 0.000 2.805 287 Y HA -0.101 4.449 4.550 0.000 0.000 0.331 287 Y C 0.729 176.696 175.900 0.112 0.000 1.241 287 Y CA 0.289 58.514 58.100 0.208 0.000 1.546 287 Y CB -0.187 38.383 38.460 0.184 0.000 1.248 287 Y HN 0.324 nan 8.280 nan 0.000 0.559 288 N N 4.635 123.046 118.700 -0.483 0.000 2.514 288 N HA 0.095 4.836 4.740 0.000 0.000 0.277 288 N C -0.594 174.660 175.510 -0.426 0.000 1.126 288 N CA 0.198 53.048 53.050 -0.335 0.000 0.978 288 N CB 0.327 38.667 38.487 -0.245 0.000 1.106 288 N HN 0.732 nan 8.380 nan 0.000 0.461 289 N N 0.908 119.528 118.700 -0.133 0.000 2.771 289 N HA -0.225 4.515 4.740 0.000 0.000 0.249 289 N C -1.244 174.371 175.510 0.174 0.000 1.069 289 N CA 0.377 53.419 53.050 -0.014 0.000 0.688 289 N CB -0.936 37.521 38.487 -0.050 0.000 0.928 289 N HN 0.693 nan 8.380 nan 0.000 0.551 290 Q N 0.453 120.416 119.800 0.272 0.000 2.304 290 Q HA 0.036 4.376 4.340 0.000 0.000 0.315 290 Q C 0.071 176.271 176.000 0.333 0.000 1.075 290 Q CA 0.938 56.954 55.803 0.354 0.000 0.988 290 Q CB 0.381 29.336 28.738 0.362 0.000 1.146 290 Q HN 0.407 nan 8.270 nan 0.000 0.383 291 T N 2.127 116.776 114.554 0.158 0.000 2.907 291 T HA 0.283 4.633 4.350 0.000 0.000 0.298 291 T C 0.017 174.647 174.700 -0.118 0.000 1.017 291 T CA -0.732 61.414 62.100 0.078 0.000 1.118 291 T CB 0.291 69.151 68.868 -0.014 0.000 0.948 291 T HN 0.486 nan 8.240 nan 0.000 0.531 292 F N 5.251 124.963 119.950 -0.397 0.000 2.518 292 F HA 0.388 4.915 4.527 0.000 0.000 0.359 292 F C -1.880 173.619 175.800 -0.503 0.000 1.118 292 F CA -1.779 55.697 58.000 -0.873 0.000 1.287 292 F CB 0.526 39.021 39.000 -0.842 0.000 1.132 292 F HN 0.450 nan 8.300 nan 0.000 0.587 293 P HA 0.235 nan 4.420 nan 0.000 0.286 293 P C -0.617 176.180 177.300 -0.839 0.000 1.261 293 P CA -0.418 61.655 63.100 -1.712 0.000 0.821 293 P CB 1.656 32.362 31.700 -1.657 0.000 1.013 294 A N 2.228 124.668 122.820 -0.634 0.000 2.121 294 A HA 0.308 4.629 4.320 0.000 0.000 0.218 294 A C 1.202 178.596 177.584 -0.317 0.000 1.154 294 A CA 1.327 53.210 52.037 -0.256 0.000 0.679 294 A CB -1.518 17.508 19.000 0.043 0.000 0.795 294 A HN 0.940 nan 8.150 nan 0.000 0.458 295 G N -2.600 105.933 108.800 -0.444 0.000 2.741 295 G HA2 0.270 4.230 3.960 0.000 0.000 0.222 295 G HA3 0.270 4.230 3.960 0.000 0.000 0.222 295 G C 0.424 175.185 174.900 -0.232 0.000 1.364 295 G CA -0.293 44.601 45.100 -0.343 0.000 0.866 295 G HN 1.416 nan 8.290 nan 0.000 0.555 296 G N -1.903 106.799 108.800 -0.164 0.000 3.008 296 G HA2 0.860 4.820 3.960 0.000 0.000 0.181 296 G HA3 0.860 4.820 3.960 0.000 0.000 0.181 296 G C -1.084 173.620 174.900 -0.327 0.000 1.309 296 G CA -0.643 44.447 45.100 -0.016 0.000 1.009 296 G HN 0.891 nan 8.290 nan 0.000 0.584 297 F N -2.439 117.584 119.950 0.122 0.000 2.603 297 F HA 0.610 5.137 4.527 0.000 0.000 0.317 297 F C 0.515 176.354 175.800 0.064 0.000 1.066 297 F CA -0.687 57.361 58.000 0.079 0.000 0.941 297 F CB 2.046 41.089 39.000 0.071 0.000 1.291 297 F HN 0.603 nan 8.300 nan 0.000 0.472 298 C N -0.086 119.343 119.300 0.215 0.000 3.246 298 C HA 0.499 4.959 4.460 0.000 0.000 0.356 298 C C 1.125 176.183 174.990 0.115 0.000 2.005 298 C CA 0.614 59.707 59.018 0.126 0.000 1.822 298 C CB -0.228 27.558 27.740 0.077 0.000 2.052 298 C HN 1.062 nan 8.230 nan 0.000 0.597 299 G N 2.558 111.427 108.800 0.115 0.000 2.138 299 G HA2 0.362 4.322 3.960 0.000 0.000 0.244 299 G HA3 0.362 4.322 3.960 0.000 0.000 0.244 299 G C -1.016 173.951 174.900 0.111 0.000 1.166 299 G CA 0.967 46.133 45.100 0.110 0.000 0.902 299 G HN 0.927 nan 8.290 nan 0.000 0.460 300 L N 1.687 122.968 121.223 0.095 0.000 2.526 300 L HA 0.749 5.089 4.340 0.000 0.000 0.263 300 L C -0.584 176.331 176.870 0.075 0.000 0.943 300 L CA -0.540 54.349 54.840 0.083 0.000 0.859 300 L CB 2.352 44.457 42.059 0.077 0.000 1.313 300 L HN 0.612 nan 8.230 nan 0.000 0.406 301 S N 3.304 119.040 115.700 0.061 0.000 2.566 301 S HA 0.814 5.284 4.470 0.000 0.000 0.273 301 S C -1.614 172.998 174.600 0.020 0.000 1.157 301 S CA -0.441 57.792 58.200 0.055 0.000 0.938 301 S CB 1.457 64.701 63.200 0.073 0.000 1.087 301 S HN 0.510 nan 8.310 nan 0.000 0.474 302 V N 3.892 123.818 119.914 0.020 0.000 2.472 302 V HA 0.378 4.498 4.120 0.000 0.000 0.290 302 V C 0.126 176.235 176.094 0.024 0.000 1.037 302 V CA -0.848 61.450 62.300 -0.003 0.000 0.908 302 V CB 1.665 33.514 31.823 0.043 0.000 0.985 302 V HN 0.930 nan 8.190 nan 0.000 0.454 303 D N 3.595 124.003 120.400 0.013 0.000 2.451 303 D HA 0.068 4.708 4.640 0.000 0.000 0.254 303 D C 1.073 177.381 176.300 0.012 0.000 1.204 303 D CA 0.547 54.556 54.000 0.014 0.000 0.896 303 D CB 1.598 42.403 40.800 0.009 0.000 1.136 303 D HN 0.685 nan 8.370 nan 0.000 0.499 304 A N 3.162 125.978 122.820 -0.007 0.000 2.178 304 A HA -0.123 4.197 4.320 0.000 0.000 0.218 304 A C 1.821 179.378 177.584 -0.044 0.000 1.157 304 A CA 1.765 53.786 52.037 -0.027 0.000 0.689 304 A CB -0.315 18.645 19.000 -0.067 0.000 0.787 304 A HN 0.652 nan 8.150 nan 0.000 0.465 305 T N -4.167 110.362 114.554 -0.041 0.000 3.054 305 T HA 0.206 4.557 4.350 0.000 0.000 0.255 305 T C 0.180 174.872 174.700 -0.012 0.000 1.035 305 T CA 0.269 62.345 62.100 -0.040 0.000 0.941 305 T CB -0.053 68.784 68.868 -0.052 0.000 1.026 305 T HN 0.270 nan 8.240 nan 0.000 0.533 306 N N 1.101 119.804 118.700 0.005 0.000 2.747 306 N HA 0.323 5.063 4.740 0.000 0.000 0.262 306 N C -2.984 172.556 175.510 0.050 0.000 1.261 306 N CA -1.729 51.333 53.050 0.021 0.000 0.809 306 N CB 2.026 40.519 38.487 0.010 0.000 1.450 306 N HN -0.169 nan 8.380 nan 0.000 0.560 307 P HA 0.037 nan 4.420 nan 0.000 0.228 307 P C 0.374 177.828 177.300 0.256 0.000 1.151 307 P CA 0.854 64.055 63.100 0.169 0.000 0.770 307 P CB 0.356 32.143 31.700 0.144 0.000 0.786 308 N N -1.101 117.696 118.700 0.161 0.000 2.353 308 N HA 0.007 4.747 4.740 0.000 0.000 0.185 308 N C 0.636 176.138 175.510 -0.013 0.000 1.098 308 N CA 0.249 53.378 53.050 0.130 0.000 0.872 308 N CB 0.144 38.689 38.487 0.097 0.000 0.970 308 N HN 0.165 nan 8.380 nan 0.000 0.467 309 R N 1.396 121.883 120.500 -0.021 0.000 2.295 309 R HA 0.485 4.825 4.340 0.000 0.000 0.324 309 R C -0.973 175.279 176.300 -0.080 0.000 0.968 309 R CA -0.410 55.653 56.100 -0.062 0.000 0.837 309 R CB 0.483 30.768 30.300 -0.024 0.000 1.133 309 R HN 0.073 nan 8.270 nan 0.000 0.450 310 L N 1.528 122.687 121.223 -0.106 0.000 2.622 310 L HA 0.721 5.061 4.340 0.000 0.000 0.258 310 L C -1.310 175.617 176.870 0.096 0.000 0.996 310 L CA -1.231 53.560 54.840 -0.082 0.000 0.858 310 L CB 1.887 43.752 42.059 -0.323 0.000 1.449 310 L HN 0.321 nan 8.230 nan 0.000 0.411 311 V N 0.093 120.085 119.914 0.131 0.000 2.628 311 V HA 0.936 5.056 4.120 0.000 0.000 0.306 311 V C -0.046 176.153 176.094 0.175 0.000 1.045 311 V CA -0.381 62.048 62.300 0.216 0.000 0.905 311 V CB 1.345 33.266 31.823 0.163 0.000 0.997 311 V HN 0.975 nan 8.190 nan 0.000 0.436 312 V N 1.814 121.819 119.914 0.153 0.000 2.962 312 V HA 0.805 4.925 4.120 0.000 0.000 0.313 312 V C -0.652 175.530 176.094 0.146 0.000 1.099 312 V CA -0.775 61.578 62.300 0.088 0.000 0.971 312 V CB 1.926 33.702 31.823 -0.078 0.000 1.028 312 V HN 0.923 nan 8.190 nan 0.000 0.430 313 I N 1.982 122.670 120.570 0.197 0.000 2.686 313 I HA 0.528 4.698 4.170 0.000 0.000 0.295 313 I C 0.398 176.575 176.117 0.100 0.000 1.114 313 I CA -0.572 60.794 61.300 0.111 0.000 1.038 313 I CB 2.661 40.681 38.000 0.032 0.000 1.238 313 I HN 0.947 nan 8.210 nan 0.000 0.420 314 T N 2.534 117.028 114.554 -0.100 0.000 2.813 314 T HA 0.536 4.886 4.350 0.000 0.000 0.297 314 T C -0.606 173.984 174.700 -0.183 0.000 1.036 314 T CA -0.469 61.390 62.100 -0.401 0.000 1.044 314 T CB 1.630 70.231 68.868 -0.446 0.000 0.993 314 T HN 0.349 nan 8.240 nan 0.000 0.535 315 L N 1.525 122.631 121.223 -0.195 0.000 2.381 315 L HA 0.498 4.838 4.340 0.000 0.000 0.274 315 L C -0.657 176.172 176.870 -0.068 0.000 0.988 315 L CA 0.209 55.018 54.840 -0.052 0.000 0.824 315 L CB 1.105 43.155 42.059 -0.015 0.000 1.263 315 L HN 0.841 nan 8.230 nan 0.000 0.410 316 D N 2.011 122.423 120.400 0.021 0.000 2.945 316 D HA -0.234 4.406 4.640 0.000 0.000 0.225 316 D C 0.423 176.631 176.300 -0.154 0.000 1.158 316 D CA 0.935 54.929 54.000 -0.010 0.000 0.805 316 D CB -0.712 40.080 40.800 -0.014 0.000 1.098 316 D HN 0.648 nan 8.370 nan 0.000 0.426 317 R N 1.352 121.751 120.500 -0.169 0.000 2.609 317 R HA 0.206 4.546 4.340 0.000 0.000 0.271 317 R C -0.804 175.369 176.300 -0.211 0.000 1.403 317 R CA 0.198 56.164 56.100 -0.222 0.000 1.138 317 R CB 0.177 30.362 30.300 -0.191 0.000 1.142 317 R HN 0.002 nan 8.270 nan 0.000 0.559 318 D N 3.462 123.709 120.400 -0.254 0.000 2.812 318 D HA 0.090 4.730 4.640 0.000 0.000 0.210 318 D C -2.299 173.836 176.300 -0.276 0.000 1.260 318 D CA -1.285 52.569 54.000 -0.245 0.000 0.817 318 D CB 2.048 42.745 40.800 -0.173 0.000 1.694 318 D HN 0.225 nan 8.370 nan 0.000 0.530 319 P HA 0.246 nan 4.420 nan 0.000 0.249 319 P C 0.800 177.920 177.300 -0.299 0.000 1.229 319 P CA 0.768 63.701 63.100 -0.280 0.000 0.788 319 P CB 0.270 31.820 31.700 -0.249 0.000 1.072 320 G N 1.693 110.316 108.800 -0.295 0.000 2.698 320 G HA2 -0.176 3.784 3.960 0.000 0.000 0.233 320 G HA3 -0.176 3.784 3.960 0.000 0.000 0.233 320 G C -2.624 172.096 174.900 -0.300 0.000 1.352 320 G CA -0.449 44.450 45.100 -0.334 0.000 0.879 320 G HN 0.194 nan 8.290 nan 0.000 0.567 321 P HA 0.384 nan 4.420 nan 0.000 0.272 321 P C 0.592 177.500 177.300 -0.653 0.000 1.248 321 P CA 1.127 63.847 63.100 -0.633 0.000 0.799 321 P CB -0.269 30.979 31.700 -0.754 0.000 0.997 322 A N 0.040 122.210 122.820 -1.083 0.000 1.766 322 A HA -0.181 4.139 4.320 0.000 0.000 0.343 322 A C 0.413 177.694 177.584 -0.505 0.000 0.831 322 A CA 0.562 52.124 52.037 -0.792 0.000 1.561 322 A CB -1.596 17.246 19.000 -0.263 0.000 0.616 322 A HN 0.416 nan 8.150 nan 0.000 0.191 323 L N 2.415 123.274 121.223 -0.607 0.000 2.543 323 L HA 0.263 4.603 4.340 0.000 0.000 0.231 323 L C 1.019 177.834 176.870 -0.091 0.000 1.194 323 L CA -0.936 53.715 54.840 -0.314 0.000 0.823 323 L CB 0.041 41.922 42.059 -0.297 0.000 1.374 323 L HN 0.699 nan 8.230 nan 0.000 0.507 324 D N 0.159 120.518 120.400 -0.068 0.000 2.449 324 D HA 0.078 4.718 4.640 0.000 0.000 0.236 324 D C -0.555 175.656 176.300 -0.148 0.000 1.149 324 D CA 0.540 54.489 54.000 -0.085 0.000 0.878 324 D CB 0.902 41.668 40.800 -0.056 0.000 1.198 324 D HN 0.328 nan 8.370 nan 0.000 0.446 325 S N 0.813 116.341 115.700 -0.286 0.000 2.536 325 S HA 0.520 4.990 4.470 0.000 0.000 0.298 325 S C 0.152 174.380 174.600 -0.621 0.000 1.083 325 S CA -0.733 57.092 58.200 -0.626 0.000 0.995 325 S CB 1.366 64.008 63.200 -0.930 0.000 1.058 325 S HN 0.240 nan 8.310 nan 0.000 0.488 326 I N 2.862 123.006 120.570 -0.711 0.000 2.353 326 I HA 0.367 4.537 4.170 0.000 0.000 0.293 326 I C -1.236 174.598 176.117 -0.472 0.000 0.992 326 I CA -0.479 60.564 61.300 -0.428 0.000 1.268 326 I CB 0.797 38.630 38.000 -0.279 0.000 1.387 326 I HN 0.578 nan 8.210 nan 0.000 0.478 327 Y N 5.857 126.103 120.300 -0.091 0.000 2.429 327 Y HA 0.566 5.116 4.550 0.000 0.000 0.342 327 Y C -0.385 175.658 175.900 0.238 0.000 1.004 327 Y CA -0.905 57.191 58.100 -0.006 0.000 1.075 327 Y CB 1.952 40.260 38.460 -0.253 0.000 1.214 327 Y HN 0.370 nan 8.280 nan 0.000 0.455 328 L N 2.142 123.662 121.223 0.495 0.000 2.362 328 L HA 0.734 5.074 4.340 0.000 0.000 0.275 328 L C -0.552 176.507 176.870 0.316 0.000 0.998 328 L CA -0.162 54.913 54.840 0.392 0.000 0.820 328 L CB 1.897 44.076 42.059 0.199 0.000 1.270 328 L HN 0.563 nan 8.230 nan 0.000 0.415 329 S N 1.101 116.808 115.700 0.012 0.000 2.532 329 S HA 0.627 5.097 4.470 0.000 0.000 0.301 329 S C 0.511 174.967 174.600 -0.241 0.000 1.083 329 S CA 0.157 58.119 58.200 -0.397 0.000 1.025 329 S CB 1.366 63.871 63.200 -1.159 0.000 1.056 329 S HN 0.839 nan 8.310 nan 0.000 0.494 330 T N -0.441 113.988 114.554 -0.207 0.000 3.044 330 T HA 0.228 4.578 4.350 0.000 0.000 0.260 330 T C -0.104 174.515 174.700 -0.134 0.000 1.019 330 T CA 0.024 62.045 62.100 -0.133 0.000 0.921 330 T CB -0.312 68.508 68.868 -0.079 0.000 1.053 330 T HN 0.613 nan 8.240 nan 0.000 0.533 331 D N 1.169 121.444 120.400 -0.208 0.000 2.772 331 D HA 0.553 5.193 4.640 0.000 0.000 0.272 331 D C 0.923 177.103 176.300 -0.200 0.000 1.314 331 D CA -0.378 53.523 54.000 -0.165 0.000 0.835 331 D CB -0.086 40.619 40.800 -0.159 0.000 1.080 331 D HN 0.374 nan 8.370 nan 0.000 0.482 332 A N -0.171 122.535 122.820 -0.190 0.000 2.832 332 A HA 0.101 4.421 4.320 0.000 0.000 0.280 332 A C 1.742 179.161 177.584 -0.275 0.000 1.464 332 A CA 1.201 53.149 52.037 -0.148 0.000 0.804 332 A CB -1.964 16.944 19.000 -0.153 0.000 1.020 332 A HN 1.619 nan 8.150 nan 0.000 0.563 333 G N -3.210 105.231 108.800 -0.598 0.000 2.175 333 G HA2 0.111 4.071 3.960 0.000 0.000 0.244 333 G HA3 0.111 4.071 3.960 0.000 0.000 0.244 333 G C 1.428 175.978 174.900 -0.583 0.000 0.982 333 G CA 1.204 45.812 45.100 -0.819 0.000 0.641 333 G HN 2.253 nan 8.290 nan 0.000 0.527 334 A N -0.487 122.077 122.820 -0.427 0.000 1.902 334 A HA 0.411 4.731 4.320 0.000 0.000 0.217 334 A C 1.681 179.096 177.584 -0.282 0.000 1.181 334 A CA 2.730 54.606 52.037 -0.268 0.000 0.623 334 A CB -0.366 18.522 19.000 -0.187 0.000 0.818 334 A HN 2.009 nan 8.150 nan 0.000 0.443 335 T N -5.911 108.386 114.554 -0.429 0.000 2.896 335 T HA 0.579 4.929 4.350 0.000 0.000 0.297 335 T C -1.229 173.189 174.700 -0.470 0.000 1.108 335 T CA -0.781 61.140 62.100 -0.298 0.000 1.004 335 T CB 1.270 70.052 68.868 -0.143 0.000 1.159 335 T HN 0.387 nan 8.240 nan 0.000 0.499 336 W N 0.219 121.494 121.300 -0.043 0.000 3.032 336 W HA 0.635 5.295 4.660 0.000 0.000 0.335 336 W C -0.519 176.028 176.519 0.047 0.000 1.154 336 W CA -0.979 56.367 57.345 0.001 0.000 1.204 336 W CB 1.924 31.372 29.460 -0.020 0.000 1.416 336 W HN 0.389 nan 8.180 nan 0.000 0.521 337 K N 1.944 122.535 120.400 0.317 0.000 2.185 337 K HA 0.155 4.475 4.320 0.000 0.000 0.269 337 K C -0.856 175.871 176.600 0.212 0.000 0.987 337 K CA -0.710 55.695 56.287 0.198 0.000 0.865 337 K CB 1.702 34.266 32.500 0.105 0.000 1.090 337 K HN 0.415 nan 8.250 nan 0.000 0.450 338 D N 3.628 124.080 120.400 0.086 0.000 2.402 338 D HA 0.029 4.670 4.640 0.000 0.000 0.235 338 D C 0.966 177.094 176.300 -0.287 0.000 1.226 338 D CA -0.168 53.713 54.000 -0.199 0.000 0.918 338 D CB 0.744 41.366 40.800 -0.297 0.000 1.043 338 D HN 0.112 nan 8.370 nan 0.000 0.506 339 V N 3.567 123.331 119.914 -0.250 0.000 2.392 339 V HA -0.239 3.881 4.120 0.000 0.000 0.249 339 V C 2.409 178.317 176.094 -0.310 0.000 1.059 339 V CA 1.857 64.086 62.300 -0.118 0.000 1.051 339 V CB -0.585 31.270 31.823 0.054 0.000 0.658 339 V HN 0.556 nan 8.190 nan 0.000 0.455 340 T N -0.732 113.342 114.554 -0.800 0.000 2.701 340 T HA -0.223 4.127 4.350 0.000 0.000 0.263 340 T C 1.962 176.110 174.700 -0.921 0.000 1.040 340 T CA 1.576 62.870 62.100 -1.345 0.000 1.147 340 T CB -0.241 67.662 68.868 -1.608 0.000 0.865 340 T HN 0.516 nan 8.240 nan 0.000 0.426 341 Q N 0.394 119.575 119.800 -1.032 0.000 2.061 341 Q HA -0.024 4.316 4.340 0.000 0.000 0.204 341 Q C 2.391 178.147 176.000 -0.406 0.000 0.984 341 Q CA 1.196 56.413 55.803 -0.977 0.000 0.846 341 Q CB -0.401 27.729 28.738 -1.015 0.000 0.902 341 Q HN 0.471 nan 8.270 nan 0.000 0.421 342 L N 0.023 121.092 121.223 -0.256 0.000 2.362 342 L HA -0.101 4.239 4.340 0.000 0.000 0.219 342 L C 2.037 178.944 176.870 0.062 0.000 1.134 342 L CA 0.491 55.302 54.840 -0.049 0.000 0.807 342 L CB -0.034 42.033 42.059 0.015 0.000 0.927 342 L HN 0.065 nan 8.230 nan 0.000 0.447 343 S N -1.059 114.683 115.700 0.070 0.000 2.558 343 S HA 0.032 4.502 4.470 0.000 0.000 0.217 343 S C 0.860 175.558 174.600 0.163 0.000 0.975 343 S CA 0.137 58.495 58.200 0.263 0.000 0.912 343 S CB 0.072 63.583 63.200 0.517 0.000 0.776 343 S HN 0.512 nan 8.310 nan 0.000 0.526 344 S N 1.451 117.180 115.700 0.048 0.000 2.621 344 S HA 0.671 5.141 4.470 0.000 0.000 0.302 344 S C -3.084 171.566 174.600 0.084 0.000 1.093 344 S CA -1.708 56.532 58.200 0.067 0.000 1.017 344 S CB 0.834 64.082 63.200 0.079 0.000 1.077 344 S HN -0.126 nan 8.310 nan 0.000 0.517 345 P HA 0.142 nan 4.420 nan 0.000 0.269 345 P C 0.034 177.391 177.300 0.096 0.000 1.211 345 P CA -0.190 62.953 63.100 0.072 0.000 0.781 345 P CB 0.283 32.011 31.700 0.046 0.000 0.877 346 S N 0.698 116.450 115.700 0.086 0.000 2.655 346 S HA 0.196 4.666 4.470 0.000 0.000 0.265 346 S C 0.353 175.013 174.600 0.101 0.000 1.240 346 S CA -0.608 57.653 58.200 0.102 0.000 0.986 346 S CB -0.013 63.235 63.200 0.081 0.000 0.985 346 S HN 0.592 nan 8.310 nan 0.000 0.562 347 N N -0.495 118.271 118.700 0.110 0.000 2.754 347 N HA -0.126 4.614 4.740 0.000 0.000 0.248 347 N C -0.242 175.315 175.510 0.078 0.000 1.093 347 N CA 0.696 53.798 53.050 0.087 0.000 0.699 347 N CB -1.415 37.110 38.487 0.063 0.000 1.016 347 N HN 0.626 nan 8.380 nan 0.000 0.552 348 L N -0.101 121.180 121.223 0.098 0.000 2.766 348 L HA 0.114 4.454 4.340 0.000 0.000 0.242 348 L C 0.701 177.530 176.870 -0.067 0.000 1.136 348 L CA -0.044 54.825 54.840 0.049 0.000 0.933 348 L CB 0.247 42.367 42.059 0.103 0.000 1.241 348 L HN 0.074 nan 8.230 nan 0.000 0.522 349 E N 1.368 121.557 120.200 -0.018 0.000 2.183 349 E HA -0.254 4.096 4.350 0.000 0.000 0.196 349 E C 1.106 177.409 176.600 -0.496 0.000 1.364 349 E CA 0.871 57.248 56.400 -0.039 0.000 0.700 349 E CB -1.236 28.484 29.700 0.033 0.000 1.106 349 E HN 0.630 nan 8.360 nan 0.000 0.347 350 G N 0.699 108.945 108.800 -0.922 0.000 2.225 350 G HA2 -0.364 3.596 3.960 0.000 0.000 0.254 350 G HA3 -0.364 3.596 3.960 0.000 0.000 0.254 350 G C 0.213 173.944 174.900 -1.949 0.000 0.988 350 G CA 0.076 43.980 45.100 -1.994 0.000 0.625 350 G HN 0.415 nan 8.290 nan 0.000 0.527 351 N N 1.598 119.669 118.700 -1.048 0.000 2.968 351 N HA 0.308 5.048 4.740 0.000 0.000 0.271 351 N C 0.354 175.721 175.510 -0.238 0.000 1.174 351 N CA -0.168 52.475 53.050 -0.677 0.000 1.096 351 N CB -0.293 37.879 38.487 -0.524 0.000 1.403 351 N HN 0.581 nan 8.380 nan 0.000 0.522 352 W N 0.790 122.026 121.300 -0.106 0.000 2.123 352 W HA 0.423 5.084 4.660 0.000 0.000 0.351 352 W C 1.212 177.721 176.519 -0.016 0.000 1.292 352 W CA -0.674 56.606 57.345 -0.108 0.000 1.263 352 W CB 0.686 29.980 29.460 -0.277 0.000 1.165 352 W HN 0.240 nan 8.180 nan 0.000 0.590 353 G N -0.244 108.646 108.800 0.149 0.000 2.523 353 G HA2 0.306 4.266 3.960 0.000 0.000 0.291 353 G HA3 0.306 4.266 3.960 0.000 0.000 0.291 353 G C -2.006 172.775 174.900 -0.199 0.000 1.450 353 G CA -1.079 44.004 45.100 -0.029 0.000 0.790 353 G HN 0.501 nan 8.290 nan 0.000 0.496 354 H N 0.378 119.353 119.070 -0.160 0.000 2.463 354 H HA 0.436 4.992 4.556 0.000 0.000 0.332 354 H C -2.112 173.171 175.328 -0.075 0.000 1.127 354 H CA -1.601 54.325 56.048 -0.203 0.000 1.238 354 H CB 1.833 31.291 29.762 -0.506 0.000 1.478 354 H HN 0.162 nan 8.280 nan 0.000 0.499 355 P HA -0.040 nan 4.420 nan 0.000 0.264 355 P C 0.851 178.219 177.300 0.114 0.000 1.193 355 P CA 0.210 63.358 63.100 0.081 0.000 0.763 355 P CB 0.473 32.227 31.700 0.090 0.000 0.810 356 T N 1.382 115.983 114.554 0.078 0.000 2.822 356 T HA -0.205 4.145 4.350 0.000 0.000 0.270 356 T C 1.630 176.375 174.700 0.075 0.000 1.064 356 T CA 1.356 63.508 62.100 0.086 0.000 1.131 356 T CB -0.720 68.175 68.868 0.045 0.000 0.858 356 T HN 0.585 nan 8.240 nan 0.000 0.483 357 N N 0.797 119.538 118.700 0.068 0.000 2.272 357 N HA -0.130 4.611 4.740 0.000 0.000 0.185 357 N C 1.888 177.449 175.510 0.086 0.000 1.014 357 N CA 1.057 54.142 53.050 0.058 0.000 0.870 357 N CB -0.131 38.388 38.487 0.053 0.000 0.975 357 N HN 0.444 nan 8.380 nan 0.000 0.433 358 A N 0.423 123.333 122.820 0.150 0.000 2.119 358 A HA 0.244 4.564 4.320 0.000 0.000 0.216 358 A C 1.294 179.000 177.584 0.204 0.000 1.152 358 A CA 0.556 52.725 52.037 0.220 0.000 0.708 358 A CB -0.192 18.973 19.000 0.275 0.000 0.805 358 A HN 0.333 nan 8.150 nan 0.000 0.460 359 A N 0.807 123.698 122.820 0.120 0.000 3.030 359 A HA 0.484 4.804 4.320 0.000 0.000 0.273 359 A C 0.442 177.907 177.584 -0.198 0.000 1.841 359 A CA -0.116 51.844 52.037 -0.128 0.000 1.479 359 A CB -0.548 18.389 19.000 -0.106 0.000 1.048 359 A HN 0.485 nan 8.150 nan 0.000 0.612 360 R N 0.100 120.513 120.500 -0.145 0.000 2.668 360 R HA 0.440 4.780 4.340 0.000 0.000 0.272 360 R C -1.187 175.141 176.300 0.046 0.000 1.019 360 R CA -0.834 55.198 56.100 -0.113 0.000 0.894 360 R CB 1.147 31.428 30.300 -0.031 0.000 1.228 360 R HN 0.479 nan 8.270 nan 0.000 0.460 361 Y N 1.595 121.876 120.300 -0.031 0.000 2.321 361 Y HA -0.067 4.483 4.550 0.000 0.000 0.353 361 Y C 1.806 177.711 175.900 0.008 0.000 1.276 361 Y CA -0.362 57.755 58.100 0.027 0.000 1.545 361 Y CB 0.319 38.794 38.460 0.025 0.000 1.377 361 Y HN 0.561 nan 8.280 nan 0.000 0.650 362 K N 0.223 120.692 120.400 0.114 0.000 2.211 362 K HA -0.169 4.151 4.320 0.000 0.000 0.203 362 K C 0.855 177.413 176.600 -0.070 0.000 1.050 362 K CA 1.579 57.753 56.287 -0.188 0.000 0.945 362 K CB -0.155 32.064 32.500 -0.469 0.000 0.732 362 K HN 0.789 nan 8.250 nan 0.000 0.451 363 D N -1.597 118.824 120.400 0.036 0.000 2.363 363 D HA -0.010 4.630 4.640 0.000 0.000 0.226 363 D C 1.073 177.389 176.300 0.026 0.000 1.020 363 D CA 0.976 54.992 54.000 0.028 0.000 0.892 363 D CB 0.304 41.140 40.800 0.060 0.000 0.900 363 D HN 0.354 nan 8.370 nan 0.000 0.531 364 G N -0.925 107.893 108.800 0.029 0.000 2.231 364 G HA2 -0.229 3.732 3.960 0.000 0.000 0.206 364 G HA3 -0.229 3.732 3.960 0.000 0.000 0.206 364 G C 0.362 175.231 174.900 -0.051 0.000 0.996 364 G CA 0.021 45.117 45.100 -0.006 0.000 0.645 364 G HN 0.401 nan 8.290 nan 0.000 0.498 365 T N 4.748 119.254 114.554 -0.080 0.000 2.829 365 T HA 0.446 4.797 4.350 0.000 0.000 0.293 365 T C -1.848 172.630 174.700 -0.370 0.000 0.970 365 T CA 0.087 62.046 62.100 -0.235 0.000 1.168 365 T CB 1.546 70.208 68.868 -0.343 0.000 0.911 365 T HN 0.309 nan 8.240 nan 0.000 0.535 366 P HA 0.223 nan 4.420 nan 0.000 0.274 366 P C -0.687 176.395 177.300 -0.365 0.000 1.231 366 P CA -0.438 62.504 63.100 -0.264 0.000 0.790 366 P CB 0.668 32.272 31.700 -0.161 0.000 0.951 367 V N 4.358 124.036 119.914 -0.392 0.000 2.225 367 V HA 0.140 4.261 4.120 0.000 0.000 0.264 367 V C -1.506 174.273 176.094 -0.525 0.000 1.067 367 V CA -1.273 60.728 62.300 -0.498 0.000 0.903 367 V CB 0.695 32.150 31.823 -0.613 0.000 1.136 367 V HN 0.469 nan 8.190 nan 0.000 0.456 368 P HA -0.134 nan 4.420 nan 0.000 0.217 368 P C 1.750 178.952 177.300 -0.163 0.000 1.150 368 P CA 1.298 64.290 63.100 -0.180 0.000 0.832 368 P CB 0.012 31.663 31.700 -0.082 0.000 0.787 369 W N -0.425 120.768 121.300 -0.177 0.000 2.468 369 W HA -0.058 4.603 4.660 0.000 0.000 0.262 369 W C 0.932 177.247 176.519 -0.340 0.000 1.241 369 W CA -0.024 57.159 57.345 -0.269 0.000 1.232 369 W CB -1.476 27.789 29.460 -0.324 0.000 1.124 369 W HN -0.105 nan 8.180 nan 0.000 0.597 370 L N 3.225 124.024 121.223 -0.707 0.000 2.456 370 L HA -0.143 4.197 4.340 0.000 0.000 0.224 370 L C 1.821 178.742 176.870 0.086 0.000 1.148 370 L CA 2.176 56.678 54.840 -0.563 0.000 0.825 370 L CB -0.930 40.708 42.059 -0.701 0.000 0.937 370 L HN -0.009 nan 8.230 nan 0.000 0.450 371 D N -2.577 117.864 120.400 0.069 0.000 2.349 371 D HA -0.140 4.500 4.640 0.000 0.000 0.215 371 D C 0.946 177.474 176.300 0.379 0.000 1.016 371 D CA -0.163 53.974 54.000 0.227 0.000 0.870 371 D CB -0.491 40.377 40.800 0.114 0.000 0.917 371 D HN 0.161 nan 8.370 nan 0.000 0.524 372 F N 0.561 120.598 119.950 0.145 0.000 3.079 372 F HA -0.315 4.212 4.527 0.000 0.000 0.274 372 F C 0.469 176.335 175.800 0.111 0.000 0.940 372 F CA 0.557 58.651 58.000 0.157 0.000 0.932 372 F CB -2.552 36.517 39.000 0.115 0.000 0.891 372 F HN 0.005 nan 8.300 nan 0.000 0.722 373 N N -0.609 118.204 118.700 0.189 0.000 2.678 373 N HA -0.316 4.424 4.740 0.000 0.000 0.250 373 N C 0.208 175.794 175.510 0.126 0.000 1.136 373 N CA 1.474 54.603 53.050 0.131 0.000 0.757 373 N CB -1.642 36.911 38.487 0.110 0.000 1.135 373 N HN 0.836 nan 8.380 nan 0.000 0.565 374 N N -1.349 117.440 118.700 0.148 0.000 2.716 374 N HA -0.205 4.535 4.740 0.000 0.000 0.250 374 N C 0.761 176.324 175.510 0.089 0.000 1.033 374 N CA 0.798 53.916 53.050 0.113 0.000 0.727 374 N CB -1.024 37.519 38.487 0.093 0.000 0.950 374 N HN 0.610 nan 8.380 nan 0.000 0.541 375 G N 0.453 109.324 108.800 0.119 0.000 2.611 375 G HA2 0.387 4.347 3.960 0.000 0.000 0.273 375 G HA3 0.387 4.347 3.960 0.000 0.000 0.273 375 G C -2.031 172.899 174.900 0.050 0.000 1.305 375 G CA -0.718 44.446 45.100 0.107 0.000 1.010 375 G HN 0.071 nan 8.290 nan 0.000 0.509 376 P HA 0.141 nan 4.420 nan 0.000 0.274 376 P C -0.670 176.695 177.300 0.109 0.000 1.231 376 P CA 0.007 63.096 63.100 -0.019 0.000 0.790 376 P CB 1.061 32.571 31.700 -0.316 0.000 0.951 377 Q N 0.945 120.763 119.800 0.031 0.000 2.180 377 Q HA 0.587 4.927 4.340 0.000 0.000 0.241 377 Q C -0.686 175.443 176.000 0.214 0.000 0.970 377 Q CA -0.327 55.438 55.803 -0.064 0.000 0.919 377 Q CB 1.249 29.846 28.738 -0.235 0.000 1.222 377 Q HN 0.584 nan 8.270 nan 0.000 0.482 378 W N -2.105 119.228 121.300 0.054 0.000 3.005 378 W HA 0.593 5.253 4.660 0.000 0.000 0.343 378 W C -0.573 175.924 176.519 -0.037 0.000 1.243 378 W CA -1.435 55.914 57.345 0.007 0.000 1.186 378 W CB -0.064 29.408 29.460 0.019 0.000 1.453 378 W HN 0.701 nan 8.180 nan 0.000 0.575 379 G N 1.310 110.234 108.800 0.207 0.000 2.109 379 G HA2 0.376 4.337 3.960 0.000 0.000 0.249 379 G HA3 0.376 4.337 3.960 0.000 0.000 0.249 379 G C 1.053 175.976 174.900 0.038 0.000 1.126 379 G CA 0.865 46.007 45.100 0.070 0.000 0.923 379 G HN 2.235 nan 8.290 nan 0.000 0.439 380 G N 1.138 109.862 108.800 -0.127 0.000 2.162 380 G HA2 -0.256 3.704 3.960 0.000 0.000 0.260 380 G HA3 -0.256 3.704 3.960 0.000 0.000 0.260 380 G C 0.093 174.824 174.900 -0.280 0.000 0.976 380 G CA 1.010 45.996 45.100 -0.190 0.000 0.655 380 G HN 1.716 nan 8.290 nan 0.000 0.533 381 Y N -0.167 119.739 120.300 -0.657 0.000 2.344 381 Y HA 0.521 5.071 4.550 0.000 0.000 0.328 381 Y C 0.798 176.155 175.900 -0.904 0.000 1.067 381 Y CA -0.156 57.370 58.100 -0.957 0.000 1.247 381 Y CB 1.215 38.674 38.460 -1.669 0.000 1.113 381 Y HN 0.231 nan 8.280 nan 0.000 0.465 382 G N 2.467 110.537 108.800 -1.218 0.000 3.079 382 G HA2 0.224 4.184 3.960 0.000 0.000 0.233 382 G HA3 0.224 4.184 3.960 0.000 0.000 0.233 382 G C 1.312 175.378 174.900 -1.390 0.000 1.062 382 G CA 0.452 44.880 45.100 -1.120 0.000 0.809 382 G HN 0.823 nan 8.290 nan 0.000 0.535 383 A N 1.654 123.337 122.820 -1.896 0.000 1.881 383 A HA -0.023 4.297 4.320 0.000 0.000 0.219 383 A C -0.603 176.290 177.584 -1.151 0.000 1.215 383 A CA 1.323 52.181 52.037 -1.964 0.000 0.648 383 A CB -1.466 16.073 19.000 -2.434 0.000 0.832 383 A HN 0.379 nan 8.150 nan 0.000 0.455 384 P HA 0.072 nan 4.420 nan 0.000 0.276 384 P C -0.483 176.699 177.300 -0.196 0.000 1.235 384 P CA 0.087 63.032 63.100 -0.257 0.000 0.772 384 P CB 0.236 31.884 31.700 -0.086 0.000 0.871 385 H N 2.507 121.507 119.070 -0.117 0.000 2.732 385 H HA 0.112 4.668 4.556 0.000 0.000 0.351 385 H C 1.651 176.931 175.328 -0.080 0.000 1.090 385 H CA 0.846 56.831 56.048 -0.104 0.000 1.431 385 H CB 1.009 30.746 29.762 -0.041 0.000 1.447 385 H HN 0.579 nan 8.280 nan 0.000 0.582 386 G N 3.293 112.069 108.800 -0.040 0.000 2.443 386 G HA2 -0.127 3.833 3.960 0.000 0.000 0.219 386 G HA3 -0.127 3.833 3.960 0.000 0.000 0.219 386 G C 0.250 175.247 174.900 0.162 0.000 1.131 386 G CA 0.395 45.508 45.100 0.021 0.000 0.775 386 G HN 0.568 nan 8.290 nan 0.000 0.547 387 T N 3.029 117.820 114.554 0.394 0.000 2.749 387 T HA 0.421 4.771 4.350 0.000 0.000 0.295 387 T C -2.506 172.228 174.700 0.057 0.000 0.936 387 T CA -1.078 61.113 62.100 0.153 0.000 1.060 387 T CB 1.847 70.762 68.868 0.078 0.000 0.904 387 T HN -0.087 nan 8.240 nan 0.000 0.500 388 P HA 0.165 nan 4.420 nan 0.000 0.264 388 P C 1.064 178.365 177.300 0.002 0.000 1.183 388 P CA 0.836 63.953 63.100 0.028 0.000 0.763 388 P CB 0.241 31.958 31.700 0.029 0.000 0.807 389 G N 1.024 109.827 108.800 0.006 0.000 2.159 389 G HA2 -0.231 3.729 3.960 0.000 0.000 0.256 389 G HA3 -0.231 3.729 3.960 0.000 0.000 0.256 389 G C -0.340 174.543 174.900 -0.028 0.000 0.977 389 G CA -0.296 44.803 45.100 -0.002 0.000 0.652 389 G HN 0.458 nan 8.290 nan 0.000 0.531 390 L N 0.481 121.659 121.223 -0.075 0.000 2.354 390 L HA 0.803 5.144 4.340 0.000 0.000 0.269 390 L C 0.357 177.194 176.870 -0.055 0.000 1.005 390 L CA -0.368 54.368 54.840 -0.172 0.000 0.819 390 L CB 2.377 44.088 42.059 -0.580 0.000 1.311 390 L HN 0.086 nan 8.230 nan 0.000 0.423 391 T N 1.412 115.977 114.554 0.019 0.000 2.885 391 T HA 0.398 4.748 4.350 0.000 0.000 0.285 391 T C -0.291 174.498 174.700 0.149 0.000 1.019 391 T CA -0.845 61.357 62.100 0.170 0.000 1.010 391 T CB 1.421 70.470 68.868 0.301 0.000 1.022 391 T HN 0.323 nan 8.240 nan 0.000 0.466 392 K N 1.351 121.906 120.400 0.258 0.000 2.414 392 K HA 0.112 4.432 4.320 0.000 0.000 0.272 392 K C 0.703 177.350 176.600 0.077 0.000 0.993 392 K CA -0.080 56.351 56.287 0.239 0.000 0.964 392 K CB 0.370 33.044 32.500 0.289 0.000 0.925 392 K HN 0.545 nan 8.250 nan 0.000 0.487 393 F N 1.062 120.866 119.950 -0.245 0.000 2.171 393 F HA -0.117 4.410 4.527 0.000 0.000 0.300 393 F C 1.058 176.678 175.800 -0.299 0.000 1.090 393 F CA 1.988 59.616 58.000 -0.620 0.000 1.293 393 F CB 0.357 38.973 39.000 -0.640 0.000 1.013 393 F HN 0.720 nan 8.300 nan 0.000 0.486 394 G N -1.999 106.896 108.800 0.158 0.000 2.339 394 G HA2 0.314 4.274 3.960 0.000 0.000 0.302 394 G HA3 0.314 4.274 3.960 0.000 0.000 0.302 394 G C -2.241 172.809 174.900 0.249 0.000 1.425 394 G CA -0.515 44.659 45.100 0.123 0.000 0.899 394 G HN 0.439 nan 8.290 nan 0.000 0.619 395 W N -3.012 118.307 121.300 0.032 0.000 3.062 395 W HA 0.664 5.324 4.660 0.000 0.000 0.336 395 W C -0.578 176.035 176.519 0.157 0.000 1.224 395 W CA -1.766 55.578 57.345 -0.001 0.000 1.159 395 W CB 0.723 30.057 29.460 -0.211 0.000 1.454 395 W HN 0.960 nan 8.180 nan 0.000 0.569 396 W N 1.691 123.051 121.300 0.100 0.000 5.963 396 W HA -0.252 4.408 4.660 0.000 0.000 0.400 396 W C -0.078 176.494 176.519 0.089 0.000 1.530 396 W CA -0.418 56.940 57.345 0.022 0.000 1.004 396 W CB -2.117 27.219 29.460 -0.206 0.000 2.706 396 W HN 0.456 nan 8.180 nan 0.000 1.495 397 M N 0.906 120.662 119.600 0.260 0.000 3.586 397 M HA 0.092 4.572 4.480 0.000 0.000 0.225 397 M C 1.479 177.896 176.300 0.195 0.000 1.428 397 M CA 0.725 56.156 55.300 0.218 0.000 1.613 397 M CB -0.149 32.512 32.600 0.102 0.000 1.063 397 M HN 0.109 nan 8.290 nan 0.000 0.593 398 S N -0.616 115.228 115.700 0.241 0.000 2.483 398 S HA 0.276 4.746 4.470 0.000 0.000 0.221 398 S C 0.962 175.642 174.600 0.133 0.000 1.030 398 S CA -0.248 58.056 58.200 0.173 0.000 0.925 398 S CB 0.302 63.618 63.200 0.193 0.000 0.795 398 S HN 0.562 nan 8.310 nan 0.000 0.511 399 A N 1.741 124.645 122.820 0.141 0.000 2.252 399 A HA 0.765 5.085 4.320 0.000 0.000 0.309 399 A C -0.609 177.061 177.584 0.144 0.000 1.285 399 A CA -0.634 51.463 52.037 0.100 0.000 0.900 399 A CB 0.972 19.996 19.000 0.039 0.000 1.157 399 A HN 0.605 nan 8.150 nan 0.000 0.536 400 V N 3.941 123.934 119.914 0.132 0.000 3.012 400 V HA 0.779 4.900 4.120 0.000 0.000 0.307 400 V C -1.888 174.274 176.094 0.115 0.000 1.166 400 V CA -0.608 61.786 62.300 0.157 0.000 0.974 400 V CB 2.096 34.022 31.823 0.172 0.000 1.040 400 V HN 1.204 nan 8.190 nan 0.000 0.428 401 L N 6.362 127.644 121.223 0.098 0.000 2.505 401 L HA 0.671 5.011 4.340 0.000 0.000 0.266 401 L C -1.265 175.625 176.870 0.033 0.000 0.954 401 L CA -0.081 54.798 54.840 0.064 0.000 0.852 401 L CB 1.952 44.044 42.059 0.054 0.000 1.282 401 L HN 0.649 nan 8.230 nan 0.000 0.403 402 I N 4.253 124.851 120.570 0.046 0.000 2.337 402 I HA 0.185 4.355 4.170 0.000 0.000 0.291 402 I C 0.010 176.150 176.117 0.039 0.000 1.046 402 I CA -0.419 60.903 61.300 0.036 0.000 1.324 402 I CB 0.831 38.859 38.000 0.047 0.000 1.409 402 I HN 0.632 nan 8.210 nan 0.000 0.494 403 D N 10.189 130.609 120.400 0.034 0.000 2.520 403 D HA -0.015 4.625 4.640 0.000 0.000 0.243 403 D C -1.346 175.022 176.300 0.113 0.000 1.160 403 D CA -1.390 52.682 54.000 0.120 0.000 0.877 403 D CB 1.290 42.243 40.800 0.254 0.000 1.150 403 D HN 0.289 nan 8.370 nan 0.000 0.494 404 P HA -0.082 nan 4.420 nan 0.000 0.223 404 P C 0.863 177.999 177.300 -0.273 0.000 1.151 404 P CA 0.788 63.846 63.100 -0.071 0.000 0.787 404 P CB 0.031 31.695 31.700 -0.059 0.000 0.788 405 F N -0.628 119.381 119.950 0.100 0.000 2.695 405 F HA 0.245 4.772 4.527 0.000 0.000 0.303 405 F C 0.774 176.624 175.800 0.084 0.000 1.091 405 F CA 0.021 58.074 58.000 0.088 0.000 1.300 405 F CB -0.059 38.993 39.000 0.088 0.000 1.071 405 F HN -0.082 nan 8.300 nan 0.000 0.578 406 N N 0.133 118.952 118.700 0.198 0.000 2.793 406 N HA 0.157 4.897 4.740 0.000 0.000 0.251 406 N C -2.566 173.026 175.510 0.136 0.000 1.308 406 N CA -1.210 51.934 53.050 0.157 0.000 0.781 406 N CB 1.213 39.803 38.487 0.172 0.000 1.439 406 N HN -0.276 nan 8.380 nan 0.000 0.562 407 P HA -0.046 nan 4.420 nan 0.000 0.234 407 P C 0.575 177.917 177.300 0.070 0.000 1.167 407 P CA 0.694 63.830 63.100 0.061 0.000 0.763 407 P CB 0.326 32.044 31.700 0.030 0.000 0.835 408 E N -1.705 118.547 120.200 0.085 0.000 2.371 408 E HA -0.067 4.284 4.350 0.000 0.000 0.194 408 E C 0.494 177.164 176.600 0.117 0.000 1.012 408 E CA 0.330 56.777 56.400 0.078 0.000 0.860 408 E CB -0.527 29.212 29.700 0.065 0.000 0.811 408 E HN 0.493 nan 8.360 nan 0.000 0.502 409 H N 0.499 119.587 119.070 0.030 0.000 2.782 409 H HA 0.322 4.878 4.556 0.000 0.000 0.285 409 H C -0.803 174.547 175.328 0.036 0.000 1.093 409 H CA -0.337 55.728 56.048 0.029 0.000 1.410 409 H CB 0.161 29.951 29.762 0.048 0.000 1.439 409 H HN -0.029 nan 8.280 nan 0.000 0.469 410 L N 6.263 127.439 121.223 -0.078 0.000 2.341 410 L HA 0.441 4.781 4.340 0.000 0.000 0.278 410 L C -1.383 175.436 176.870 -0.084 0.000 1.005 410 L CA -0.671 54.135 54.840 -0.057 0.000 0.818 410 L CB 1.512 43.644 42.059 0.122 0.000 1.259 410 L HN 0.667 nan 8.230 nan 0.000 0.418 411 M N 5.452 125.003 119.600 -0.083 0.000 2.465 411 M HA 0.470 4.951 4.480 0.000 0.000 0.316 411 M C -1.535 174.859 176.300 0.157 0.000 1.121 411 M CA -0.583 54.698 55.300 -0.031 0.000 0.934 411 M CB 1.965 34.483 32.600 -0.136 0.000 1.692 411 M HN 0.508 nan 8.290 nan 0.000 0.444 412 Y N -0.415 119.947 120.300 0.103 0.000 2.492 412 Y HA 0.929 5.479 4.550 0.000 0.000 0.346 412 Y C -0.282 175.666 175.900 0.080 0.000 0.997 412 Y CA -1.382 56.778 58.100 0.099 0.000 1.025 412 Y CB 0.979 39.514 38.460 0.125 0.000 1.263 412 Y HN 0.727 nan 8.280 nan 0.000 0.454 413 G N 1.018 109.934 108.800 0.193 0.000 2.504 413 G HA2 0.538 4.498 3.960 0.000 0.000 0.288 413 G HA3 0.538 4.498 3.960 0.000 0.000 0.288 413 G C -0.537 174.489 174.900 0.209 0.000 1.182 413 G CA -0.083 45.079 45.100 0.103 0.000 0.894 413 G HN 1.095 nan 8.290 nan 0.000 0.521 414 T N -3.179 111.430 114.554 0.092 0.000 2.669 414 T HA 0.539 4.889 4.350 0.000 0.000 0.283 414 T C 1.349 176.035 174.700 -0.025 0.000 1.019 414 T CA 0.228 62.288 62.100 -0.066 0.000 1.039 414 T CB 1.368 70.024 68.868 -0.354 0.000 1.374 414 T HN 0.845 nan 8.240 nan 0.000 0.523 415 G N -0.796 107.706 108.800 -0.497 0.000 2.776 415 G HA2 0.384 4.344 3.960 0.000 0.000 0.209 415 G HA3 0.384 4.344 3.960 0.000 0.000 0.209 415 G C 0.911 175.805 174.900 -0.011 0.000 1.145 415 G CA 0.516 45.494 45.100 -0.203 0.000 0.791 415 G HN 1.217 nan 8.290 nan 0.000 0.530 416 A N -1.823 120.933 122.820 -0.105 0.000 2.425 416 A HA 0.585 4.905 4.320 0.000 0.000 0.201 416 A C 0.650 178.312 177.584 0.129 0.000 1.431 416 A CA 1.128 53.271 52.037 0.176 0.000 1.066 416 A CB 0.837 20.109 19.000 0.453 0.000 1.318 416 A HN 0.321 nan 8.150 nan 0.000 0.534 417 T N -1.240 113.288 114.554 -0.044 0.000 2.661 417 T HA 0.570 4.920 4.350 0.000 0.000 0.305 417 T C -2.029 172.548 174.700 -0.206 0.000 1.441 417 T CA -0.284 61.730 62.100 -0.143 0.000 0.999 417 T CB 0.824 69.501 68.868 -0.319 0.000 1.650 417 T HN 0.193 nan 8.240 nan 0.000 0.489 418 I N 1.717 122.115 120.570 -0.286 0.000 2.418 418 I HA 0.458 4.628 4.170 0.000 0.000 0.287 418 I C -1.079 174.781 176.117 -0.429 0.000 1.008 418 I CA -0.614 60.518 61.300 -0.279 0.000 1.104 418 I CB 1.494 39.396 38.000 -0.163 0.000 1.264 418 I HN 0.573 nan 8.210 nan 0.000 0.438 419 W N 5.468 126.369 121.300 -0.664 0.000 2.449 419 W HA 0.747 5.407 4.660 0.000 0.000 0.331 419 W C 0.114 176.298 176.519 -0.559 0.000 1.119 419 W CA -0.096 56.794 57.345 -0.758 0.000 1.240 419 W CB 1.688 30.336 29.460 -1.353 0.000 1.251 419 W HN 0.456 nan 8.180 nan 0.000 0.576 420 A N 1.257 123.997 122.820 -0.133 0.000 2.609 420 A HA 0.769 5.089 4.320 0.000 0.000 0.291 420 A C -1.191 176.125 177.584 -0.447 0.000 1.096 420 A CA -0.615 51.272 52.037 -0.251 0.000 0.684 420 A CB 1.951 20.679 19.000 -0.452 0.000 1.282 420 A HN 0.393 nan 8.150 nan 0.000 0.412 421 T N -0.922 113.398 114.554 -0.390 0.000 2.903 421 T HA 0.550 4.900 4.350 0.000 0.000 0.299 421 T C -1.174 173.508 174.700 -0.029 0.000 1.093 421 T CA -0.374 61.457 62.100 -0.448 0.000 1.002 421 T CB 1.470 69.667 68.868 -1.118 0.000 1.127 421 T HN 0.421 nan 8.240 nan 0.000 0.488 422 D N 1.799 122.248 120.400 0.082 0.000 2.395 422 D HA 0.184 4.824 4.640 0.000 0.000 0.213 422 D C 0.723 177.041 176.300 0.030 0.000 1.110 422 D CA 0.286 54.354 54.000 0.114 0.000 0.835 422 D CB 0.723 41.596 40.800 0.121 0.000 0.965 422 D HN 0.669 nan 8.370 nan 0.000 0.505 423 T N -1.264 113.258 114.554 -0.054 0.000 3.741 423 T HA 0.144 4.494 4.350 0.000 0.000 0.242 423 T C 1.105 175.764 174.700 -0.068 0.000 1.042 423 T CA -0.432 61.645 62.100 -0.038 0.000 1.278 423 T CB -0.012 68.842 68.868 -0.023 0.000 0.994 423 T HN -0.144 nan 8.240 nan 0.000 0.594 424 L N 1.726 122.915 121.223 -0.056 0.000 2.083 424 L HA 0.086 4.426 4.340 0.000 0.000 0.209 424 L C 2.199 179.084 176.870 0.026 0.000 1.083 424 L CA 1.744 56.568 54.840 -0.028 0.000 0.752 424 L CB -0.774 41.297 42.059 0.019 0.000 0.899 424 L HN 0.416 nan 8.230 nan 0.000 0.433 425 S N -0.440 115.277 115.700 0.028 0.000 2.595 425 S HA -0.054 4.416 4.470 0.000 0.000 0.235 425 S C 1.813 176.434 174.600 0.035 0.000 0.974 425 S CA 0.118 58.334 58.200 0.027 0.000 0.942 425 S CB -0.443 62.767 63.200 0.017 0.000 0.766 425 S HN 0.423 nan 8.310 nan 0.000 0.536 426 R N 1.002 121.548 120.500 0.078 0.000 2.139 426 R HA -0.123 4.217 4.340 0.000 0.000 0.243 426 R C 2.317 178.679 176.300 0.103 0.000 1.145 426 R CA 1.682 57.878 56.100 0.160 0.000 0.976 426 R CB -1.214 29.222 30.300 0.226 0.000 0.866 426 R HN 0.584 nan 8.270 nan 0.000 0.449 427 V N -0.342 119.618 119.914 0.078 0.000 2.759 427 V HA -0.109 4.011 4.120 0.000 0.000 0.256 427 V C 1.663 177.746 176.094 -0.018 0.000 1.080 427 V CA 1.423 63.757 62.300 0.057 0.000 1.101 427 V CB -0.407 31.463 31.823 0.077 0.000 0.698 427 V HN 0.121 nan 8.190 nan 0.000 0.477 428 E N 1.277 121.445 120.200 -0.053 0.000 2.409 428 E HA -0.126 4.224 4.350 0.000 0.000 0.198 428 E C 1.480 177.965 176.600 -0.191 0.000 1.024 428 E CA 0.942 57.284 56.400 -0.097 0.000 0.861 428 E CB -0.153 29.495 29.700 -0.087 0.000 0.788 428 E HN 0.682 nan 8.360 nan 0.000 0.521 429 K N 0.598 120.810 120.400 -0.314 0.000 2.414 429 K HA 0.032 4.352 4.320 0.000 0.000 0.204 429 K C -0.515 175.810 176.600 -0.458 0.000 1.026 429 K CA -0.099 55.847 56.287 -0.568 0.000 1.108 429 K CB 0.733 32.479 32.500 -1.256 0.000 0.855 429 K HN -0.140 nan 8.250 nan 0.000 0.517 430 D N -0.137 120.163 120.400 -0.166 0.000 2.945 430 D HA -0.188 4.452 4.640 0.000 0.000 0.225 430 D C -0.711 175.712 176.300 0.206 0.000 1.158 430 D CA 0.996 54.999 54.000 0.005 0.000 0.805 430 D CB -0.732 40.077 40.800 0.015 0.000 1.098 430 D HN 0.228 nan 8.370 nan 0.000 0.426 431 W N 0.538 121.854 121.300 0.027 0.000 2.485 431 W HA 0.717 5.377 4.660 0.000 0.000 0.364 431 W C 0.488 177.039 176.519 0.054 0.000 1.171 431 W CA -1.361 56.005 57.345 0.036 0.000 1.304 431 W CB 0.476 29.953 29.460 0.029 0.000 1.335 431 W HN -0.057 nan 8.180 nan 0.000 0.643 432 A N 3.094 126.094 122.820 0.300 0.000 2.260 432 A HA 0.639 4.959 4.320 0.000 0.000 0.308 432 A C -2.303 175.394 177.584 0.190 0.000 1.254 432 A CA -1.420 50.763 52.037 0.244 0.000 0.874 432 A CB -0.170 18.964 19.000 0.223 0.000 1.153 432 A HN 0.212 nan 8.150 nan 0.000 0.527 433 P HA 0.102 nan 4.420 nan 0.000 0.268 433 P C -0.173 176.993 177.300 -0.224 0.000 1.208 433 P CA 0.256 63.276 63.100 -0.133 0.000 0.777 433 P CB 0.592 32.056 31.700 -0.393 0.000 0.875 434 S N 1.455 117.013 115.700 -0.237 0.000 2.513 434 S HA 0.315 4.785 4.470 0.000 0.000 0.276 434 S C -0.726 173.724 174.600 -0.251 0.000 1.254 434 S CA -0.275 57.867 58.200 -0.096 0.000 1.053 434 S CB -0.033 63.174 63.200 0.013 0.000 0.958 434 S HN 0.320 nan 8.310 nan 0.000 0.491 435 W N 2.623 123.990 121.300 0.112 0.000 2.578 435 W HA 0.656 5.317 4.660 0.000 0.000 0.346 435 W C -0.255 176.381 176.519 0.195 0.000 1.075 435 W CA -0.638 56.731 57.345 0.040 0.000 1.233 435 W CB 0.807 30.123 29.460 -0.239 0.000 1.358 435 W HN 0.753 nan 8.180 nan 0.000 0.574 436 Y N -1.503 119.007 120.300 0.350 0.000 2.744 436 Y HA 0.728 5.278 4.550 0.000 0.000 0.330 436 Y C -1.577 174.346 175.900 0.038 0.000 1.263 436 Y CA -2.115 56.086 58.100 0.168 0.000 1.065 436 Y CB 0.676 39.196 38.460 0.099 0.000 1.306 436 Y HN 0.193 nan 8.280 nan 0.000 0.459 437 L N 2.273 123.548 121.223 0.085 0.000 2.264 437 L HA 0.444 4.784 4.340 0.000 0.000 0.289 437 L C -0.149 176.811 176.870 0.151 0.000 1.044 437 L CA -0.466 54.285 54.840 -0.148 0.000 0.807 437 L CB 1.577 43.485 42.059 -0.252 0.000 1.192 437 L HN 0.705 nan 8.230 nan 0.000 0.425 438 Q N 2.990 122.814 119.800 0.040 0.000 3.008 438 Q HA 0.217 4.558 4.340 0.000 0.000 0.307 438 Q C 0.180 176.336 176.000 0.261 0.000 1.273 438 Q CA -0.075 55.831 55.803 0.173 0.000 1.091 438 Q CB 0.556 29.340 28.738 0.078 0.000 1.393 438 Q HN 0.706 nan 8.270 nan 0.000 0.521 439 I N -0.118 120.536 120.570 0.140 0.000 4.526 439 I HA 0.140 4.310 4.170 0.000 0.000 0.330 439 I C -0.237 175.924 176.117 0.074 0.000 1.323 439 I CA -0.050 61.310 61.300 0.100 0.000 1.218 439 I CB 0.878 38.862 38.000 -0.026 0.000 1.233 439 I HN 0.269 nan 8.210 nan 0.000 0.430 440 D N 0.872 121.136 120.400 -0.227 0.000 2.487 440 D HA 0.380 5.020 4.640 0.000 0.000 0.243 440 D C 1.290 177.589 176.300 -0.000 0.000 1.154 440 D CA 1.750 55.455 54.000 -0.491 0.000 0.876 440 D CB 0.502 40.729 40.800 -0.954 0.000 1.161 440 D HN 0.496 nan 8.370 nan 0.000 0.478 441 G N 3.440 112.271 108.800 0.051 0.000 2.339 441 G HA2 -0.216 3.744 3.960 0.000 0.000 0.209 441 G HA3 -0.216 3.744 3.960 0.000 0.000 0.209 441 G C 0.553 175.536 174.900 0.138 0.000 1.015 441 G CA -0.046 45.151 45.100 0.162 0.000 0.635 441 G HN 0.550 nan 8.290 nan 0.000 0.499 442 I N 2.125 122.649 120.570 -0.077 0.000 2.371 442 I HA 0.405 4.575 4.170 0.000 0.000 0.290 442 I C -0.469 175.609 176.117 -0.066 0.000 1.028 442 I CA -0.171 60.853 61.300 -0.459 0.000 1.345 442 I CB 1.190 38.700 38.000 -0.816 0.000 1.407 442 I HN 0.004 nan 8.210 nan 0.000 0.501 443 E N 6.636 126.891 120.200 0.093 0.000 2.235 443 E HA 0.198 4.548 4.350 0.000 0.000 0.252 443 E C -0.342 176.344 176.600 0.144 0.000 0.886 443 E CA -0.140 56.335 56.400 0.125 0.000 0.767 443 E CB 1.892 31.678 29.700 0.143 0.000 1.205 443 E HN 0.569 nan 8.360 nan 0.000 0.421 444 E N 2.127 122.385 120.200 0.096 0.000 2.548 444 E HA 0.094 4.444 4.350 0.000 0.000 0.206 444 E C -0.224 176.422 176.600 0.077 0.000 1.005 444 E CA -0.192 56.271 56.400 0.106 0.000 0.951 444 E CB 0.493 30.249 29.700 0.094 0.000 1.035 444 E HN 0.308 nan 8.360 nan 0.000 0.470 445 N N 0.861 119.587 118.700 0.044 0.000 2.482 445 N HA 0.117 4.857 4.740 0.000 0.000 0.260 445 N C -0.564 174.962 175.510 0.027 0.000 1.236 445 N CA 0.219 53.279 53.050 0.016 0.000 0.938 445 N CB 1.413 39.873 38.487 -0.045 0.000 1.128 445 N HN 0.039 nan 8.380 nan 0.000 0.448 446 A N 2.789 125.628 122.820 0.032 0.000 2.253 446 A HA 0.422 4.742 4.320 0.000 0.000 0.316 446 A C -0.110 177.486 177.584 0.021 0.000 1.327 446 A CA -0.605 51.454 52.037 0.037 0.000 0.917 446 A CB 0.083 19.120 19.000 0.061 0.000 1.162 446 A HN 0.476 nan 8.150 nan 0.000 0.535 447 I N 3.885 124.462 120.570 0.011 0.000 2.353 447 I HA 0.225 4.395 4.170 0.000 0.000 0.293 447 I C 0.650 176.776 176.117 0.015 0.000 0.992 447 I CA 0.001 61.304 61.300 0.004 0.000 1.268 447 I CB 1.313 39.307 38.000 -0.010 0.000 1.387 447 I HN 0.698 nan 8.210 nan 0.000 0.478 448 L N 3.445 124.683 121.223 0.024 0.000 2.537 448 L HA 0.221 4.561 4.340 0.000 0.000 0.224 448 L C 0.751 177.645 176.870 0.040 0.000 1.065 448 L CA 0.435 55.294 54.840 0.032 0.000 0.860 448 L CB 0.332 42.413 42.059 0.036 0.000 1.086 448 L HN 0.644 nan 8.230 nan 0.000 0.482 449 S N -0.038 115.688 115.700 0.043 0.000 2.537 449 S HA 0.691 5.161 4.470 0.000 0.000 0.270 449 S C -1.578 173.049 174.600 0.045 0.000 1.142 449 S CA -0.501 57.731 58.200 0.053 0.000 0.870 449 S CB 1.393 64.633 63.200 0.068 0.000 1.112 449 S HN 0.044 nan 8.310 nan 0.000 0.466 450 L N 3.224 124.473 121.223 0.042 0.000 2.439 450 L HA 0.645 4.985 4.340 0.000 0.000 0.270 450 L C -0.671 176.217 176.870 0.030 0.000 0.972 450 L CA -0.663 54.185 54.840 0.013 0.000 0.836 450 L CB 2.215 44.269 42.059 -0.009 0.000 1.255 450 L HN 0.682 nan 8.230 nan 0.000 0.404 451 R N 1.734 122.246 120.500 0.021 0.000 2.451 451 R HA 0.413 4.753 4.340 0.000 0.000 0.307 451 R C -0.959 175.339 176.300 -0.003 0.000 0.965 451 R CA -0.152 55.969 56.100 0.036 0.000 0.865 451 R CB 1.986 32.328 30.300 0.070 0.000 1.174 451 R HN 0.500 nan 8.270 nan 0.000 0.455 452 S N 6.385 122.090 115.700 0.007 0.000 2.411 452 S HA 0.462 4.932 4.470 0.000 0.000 0.294 452 S C -2.243 172.383 174.600 0.042 0.000 1.115 452 S CA -1.648 56.563 58.200 0.018 0.000 1.071 452 S CB 0.603 63.888 63.200 0.142 0.000 0.967 452 S HN 0.489 nan 8.310 nan 0.000 0.488 453 P HA 0.244 nan 4.420 nan 0.000 0.272 453 P C 0.146 177.456 177.300 0.018 0.000 1.240 453 P CA -0.344 62.773 63.100 0.028 0.000 0.791 453 P CB 0.511 32.237 31.700 0.045 0.000 0.978 454 K N -0.367 120.011 120.400 -0.038 0.000 2.366 454 K HA 0.078 4.398 4.320 0.000 0.000 0.198 454 K C 0.518 177.174 176.600 0.093 0.000 1.044 454 K CA 0.690 56.928 56.287 -0.081 0.000 0.973 454 K CB 0.058 32.353 32.500 -0.341 0.000 0.767 454 K HN 0.609 nan 8.250 nan 0.000 0.475 455 S N -1.984 113.764 115.700 0.081 0.000 2.570 455 S HA 0.707 5.177 4.470 0.000 0.000 0.270 455 S C 0.199 174.845 174.600 0.077 0.000 1.149 455 S CA -0.517 57.746 58.200 0.106 0.000 0.837 455 S CB 1.976 65.240 63.200 0.106 0.000 1.124 455 S HN 0.292 nan 8.310 nan 0.000 0.465 456 G N 1.268 110.113 108.800 0.075 0.000 2.754 456 G HA2 0.301 4.262 3.960 0.000 0.000 0.241 456 G HA3 0.301 4.262 3.960 0.000 0.000 0.241 456 G C 0.334 175.270 174.900 0.060 0.000 1.281 456 G CA 0.021 45.157 45.100 0.059 0.000 0.971 456 G HN 2.129 nan 8.290 nan 0.000 0.569 457 A N 0.718 123.572 122.820 0.057 0.000 2.498 457 A HA 0.739 5.059 4.320 0.000 0.000 0.239 457 A C 1.856 179.475 177.584 0.059 0.000 1.068 457 A CA 1.240 53.313 52.037 0.059 0.000 0.766 457 A CB 0.481 19.522 19.000 0.069 0.000 1.003 457 A HN 2.409 nan 8.150 nan 0.000 0.497 458 A N 1.747 124.599 122.820 0.052 0.000 1.883 458 A HA 0.178 4.498 4.320 0.000 0.000 0.217 458 A C 0.760 178.322 177.584 -0.036 0.000 1.186 458 A CA 2.028 54.093 52.037 0.048 0.000 0.624 458 A CB -0.362 18.660 19.000 0.037 0.000 0.822 458 A HN 1.444 nan 8.150 nan 0.000 0.444 459 L N -1.692 119.481 121.223 -0.083 0.000 2.472 459 L HA 0.617 4.957 4.340 0.000 0.000 0.260 459 L C -1.511 175.386 176.870 0.045 0.000 0.963 459 L CA -0.431 54.279 54.840 -0.217 0.000 0.829 459 L CB 1.912 43.580 42.059 -0.653 0.000 1.348 459 L HN 0.214 nan 8.230 nan 0.000 0.408 460 L N 3.305 124.564 121.223 0.060 0.000 2.329 460 L HA 0.831 5.172 4.340 0.000 0.000 0.279 460 L C -0.145 176.824 176.870 0.165 0.000 1.014 460 L CA -0.432 54.541 54.840 0.222 0.000 0.814 460 L CB 1.976 44.183 42.059 0.248 0.000 1.257 460 L HN 0.736 nan 8.230 nan 0.000 0.424 461 S N 0.700 116.541 115.700 0.235 0.000 2.566 461 S HA 0.917 5.387 4.470 0.000 0.000 0.298 461 S C -0.361 174.341 174.600 0.171 0.000 1.083 461 S CA -0.664 57.619 58.200 0.140 0.000 0.978 461 S CB 2.077 65.375 63.200 0.164 0.000 1.073 461 S HN 0.772 nan 8.310 nan 0.000 0.491 462 G N 1.196 110.061 108.800 0.108 0.000 2.702 462 G HA2 0.669 4.629 3.960 0.000 0.000 0.295 462 G HA3 0.669 4.629 3.960 0.000 0.000 0.295 462 G C -1.030 173.905 174.900 0.059 0.000 1.446 462 G CA -0.798 44.370 45.100 0.113 0.000 0.983 462 G HN 0.789 nan 8.290 nan 0.000 0.520 463 I N 1.344 121.942 120.570 0.048 0.000 2.730 463 I HA 0.517 4.687 4.170 0.000 0.000 0.298 463 I C 0.854 176.991 176.117 0.035 0.000 1.089 463 I CA -1.288 60.019 61.300 0.011 0.000 1.041 463 I CB 2.432 40.397 38.000 -0.059 0.000 1.235 463 I HN 0.547 nan 8.210 nan 0.000 0.423 464 G N 1.651 110.474 108.800 0.038 0.000 2.380 464 G HA2 0.206 4.166 3.960 0.000 0.000 0.242 464 G HA3 0.206 4.166 3.960 0.000 0.000 0.242 464 G C 0.193 175.145 174.900 0.087 0.000 1.298 464 G CA 0.238 45.377 45.100 0.065 0.000 0.878 464 G HN 0.930 nan 8.290 nan 0.000 0.542 465 D N -0.543 119.936 120.400 0.131 0.000 2.429 465 D HA -0.274 4.366 4.640 0.000 0.000 0.162 465 D C 1.490 177.986 176.300 0.327 0.000 1.615 465 D CA 2.109 56.235 54.000 0.210 0.000 1.630 465 D CB -0.916 40.001 40.800 0.195 0.000 1.347 465 D HN 0.836 nan 8.370 nan 0.000 0.454 466 I N -3.631 117.043 120.570 0.172 0.000 3.707 466 I HA 0.501 4.671 4.170 0.000 0.000 0.330 466 I C 1.023 177.124 176.117 -0.026 0.000 1.572 466 I CA 0.524 61.861 61.300 0.062 0.000 1.104 466 I CB 1.341 39.151 38.000 -0.316 0.000 1.240 466 I HN 0.057 nan 8.210 nan 0.000 0.475 467 S N 1.293 117.055 115.700 0.104 0.000 4.155 467 S HA -0.166 4.304 4.470 0.000 0.000 0.552 467 S C 0.597 175.236 174.600 0.065 0.000 1.869 467 S CA 1.646 59.936 58.200 0.150 0.000 4.246 467 S CB -1.549 61.743 63.200 0.154 0.000 0.245 467 S HN 1.427 nan 8.310 nan 0.000 0.461 468 G N -0.134 108.635 108.800 -0.052 0.000 2.488 468 G HA2 0.598 4.558 3.960 0.000 0.000 0.301 468 G HA3 0.598 4.558 3.960 0.000 0.000 0.301 468 G C -1.766 172.633 174.900 -0.835 0.000 1.339 468 G CA -0.130 44.854 45.100 -0.194 0.000 0.803 468 G HN 0.819 nan 8.290 nan 0.000 0.482 469 M N -0.282 118.724 119.600 -0.990 0.000 2.575 469 M HA 0.508 4.988 4.480 0.000 0.000 0.284 469 M C -0.546 175.199 176.300 -0.925 0.000 1.253 469 M CA -0.634 53.868 55.300 -1.330 0.000 0.861 469 M CB 2.853 34.853 32.600 -1.000 0.000 1.733 469 M HN 0.426 nan 8.290 nan 0.000 0.462 470 K N 1.376 121.445 120.400 -0.552 0.000 2.263 470 K HA 0.266 4.586 4.320 0.000 0.000 0.282 470 K C -1.077 175.415 176.600 -0.181 0.000 1.089 470 K CA -0.284 55.982 56.287 -0.036 0.000 0.907 470 K CB 0.432 33.063 32.500 0.217 0.000 1.148 470 K HN 0.683 nan 8.250 nan 0.000 0.470 471 H N 4.663 123.703 119.070 -0.051 0.000 2.821 471 H HA 0.029 4.585 4.556 0.000 0.000 0.262 471 H C -0.126 175.177 175.328 -0.042 0.000 1.402 471 H CA -0.306 55.701 56.048 -0.069 0.000 1.293 471 H CB 0.782 30.474 29.762 -0.116 0.000 1.533 471 H HN 0.731 nan 8.280 nan 0.000 0.528 472 D N 0.916 121.350 120.400 0.056 0.000 2.178 472 D HA -0.111 4.529 4.640 0.000 0.000 0.202 472 D C 0.310 176.639 176.300 0.048 0.000 0.974 472 D CA 1.496 55.523 54.000 0.045 0.000 0.841 472 D CB 0.520 41.337 40.800 0.027 0.000 0.953 472 D HN 0.466 nan 8.370 nan 0.000 0.478 473 D N -0.234 120.199 120.400 0.055 0.000 2.505 473 D HA 0.139 4.779 4.640 0.000 0.000 0.250 473 D C 1.021 177.370 176.300 0.081 0.000 1.164 473 D CA -0.395 53.639 54.000 0.057 0.000 0.870 473 D CB 1.331 42.160 40.800 0.048 0.000 1.160 473 D HN -0.117 nan 8.370 nan 0.000 0.549 474 L N 2.296 123.547 121.223 0.046 0.000 2.275 474 L HA -0.027 4.313 4.340 0.000 0.000 0.215 474 L C 2.194 179.142 176.870 0.129 0.000 1.119 474 L CA 1.332 56.187 54.840 0.024 0.000 0.790 474 L CB -0.352 41.591 42.059 -0.194 0.000 0.919 474 L HN 0.495 nan 8.230 nan 0.000 0.443 475 T N -3.793 110.843 114.554 0.137 0.000 3.081 475 T HA 0.099 4.449 4.350 0.000 0.000 0.250 475 T C 0.636 175.422 174.700 0.144 0.000 1.100 475 T CA -0.091 62.107 62.100 0.162 0.000 1.038 475 T CB 0.084 69.040 68.868 0.147 0.000 0.962 475 T HN 0.117 nan 8.240 nan 0.000 0.516 476 K N 1.851 122.322 120.400 0.118 0.000 2.427 476 K HA 0.474 4.794 4.320 0.000 0.000 0.252 476 K C -3.262 173.389 176.600 0.084 0.000 0.931 476 K CA -2.387 53.949 56.287 0.081 0.000 0.793 476 K CB 2.146 34.668 32.500 0.037 0.000 1.211 476 K HN -0.049 nan 8.250 nan 0.000 0.426 477 P HA -0.007 nan 4.420 nan 0.000 0.267 477 P C -0.615 176.725 177.300 0.066 0.000 1.200 477 P CA 0.087 63.257 63.100 0.117 0.000 0.772 477 P CB 0.592 32.332 31.700 0.067 0.000 0.855 478 Q N 1.400 121.255 119.800 0.091 0.000 2.378 478 Q HA 0.366 4.706 4.340 0.000 0.000 0.276 478 Q C -0.096 175.908 176.000 0.006 0.000 1.083 478 Q CA -0.921 54.861 55.803 -0.034 0.000 0.856 478 Q CB 1.345 29.942 28.738 -0.235 0.000 1.383 478 Q HN 0.302 nan 8.270 nan 0.000 0.458 479 K N 1.024 121.385 120.400 -0.065 0.000 2.295 479 K HA 0.173 4.493 4.320 0.000 0.000 0.270 479 K C 0.381 176.899 176.600 -0.136 0.000 1.011 479 K CA -0.109 56.150 56.287 -0.048 0.000 0.953 479 K CB 0.610 33.088 32.500 -0.036 0.000 0.956 479 K HN 0.611 nan 8.250 nan 0.000 0.477 480 M N 2.574 122.129 119.600 -0.075 0.000 2.240 480 M HA 0.116 4.596 4.480 0.000 0.000 0.333 480 M C -0.516 175.702 176.300 -0.137 0.000 1.110 480 M CA 0.043 55.240 55.300 -0.171 0.000 1.173 480 M CB 0.349 32.903 32.600 -0.077 0.000 1.458 480 M HN 0.345 nan 8.290 nan 0.000 0.458 481 F N 1.973 121.868 119.950 -0.092 0.000 2.563 481 F HA 0.208 4.735 4.527 0.000 0.000 0.363 481 F C 1.394 177.087 175.800 -0.178 0.000 1.123 481 F CA -0.109 57.810 58.000 -0.134 0.000 1.307 481 F CB 0.312 39.081 39.000 -0.385 0.000 1.115 481 F HN 0.703 nan 8.300 nan 0.000 0.592 482 G N 1.136 109.996 108.800 0.101 0.000 2.504 482 G HA2 0.466 4.427 3.960 0.000 0.000 0.257 482 G HA3 0.466 4.427 3.960 0.000 0.000 0.257 482 G C -0.640 174.161 174.900 -0.165 0.000 1.451 482 G CA -0.446 44.664 45.100 0.016 0.000 1.059 482 G HN 0.900 nan 8.290 nan 0.000 0.550 483 A N 0.748 123.496 122.820 -0.119 0.000 2.531 483 A HA 0.464 4.784 4.320 0.000 0.000 0.236 483 A C -1.781 175.539 177.584 -0.440 0.000 1.062 483 A CA -0.486 51.406 52.037 -0.241 0.000 0.760 483 A CB -0.270 18.582 19.000 -0.247 0.000 0.995 483 A HN 0.449 nan 8.150 nan 0.000 0.501 484 P HA 0.184 nan 4.420 nan 0.000 0.279 484 P C -0.727 176.407 177.300 -0.276 0.000 1.239 484 P CA -0.347 62.531 63.100 -0.371 0.000 0.789 484 P CB 0.614 32.186 31.700 -0.214 0.000 0.933 485 Q N 2.141 122.026 119.800 0.140 0.000 2.286 485 Q HA 0.218 4.558 4.340 0.000 0.000 0.265 485 Q C -1.138 175.074 176.000 0.354 0.000 1.080 485 Q CA 0.399 56.321 55.803 0.198 0.000 0.906 485 Q CB -0.474 28.471 28.738 0.345 0.000 1.227 485 Q HN 0.185 nan 8.270 nan 0.000 0.409 486 F N 1.119 121.127 119.950 0.097 0.000 2.397 486 F HA 0.265 4.792 4.527 0.000 0.000 0.331 486 F C 1.489 177.319 175.800 0.050 0.000 1.090 486 F CA -0.952 57.086 58.000 0.064 0.000 1.065 486 F CB 1.414 40.419 39.000 0.008 0.000 1.184 486 F HN 0.746 nan 8.300 nan 0.000 0.499 487 S N 1.366 117.180 115.700 0.191 0.000 2.315 487 S HA 0.059 4.529 4.470 0.000 0.000 0.211 487 S C 0.329 175.027 174.600 0.163 0.000 1.029 487 S CA 0.251 58.492 58.200 0.069 0.000 0.956 487 S CB -0.281 62.942 63.200 0.038 0.000 0.918 487 S HN 0.551 nan 8.310 nan 0.000 0.470 488 N N 1.454 120.212 118.700 0.096 0.000 2.456 488 N HA 0.475 5.215 4.740 0.000 0.000 0.288 488 N C -1.435 174.071 175.510 -0.006 0.000 1.059 488 N CA -0.332 52.752 53.050 0.056 0.000 0.946 488 N CB 1.579 40.078 38.487 0.021 0.000 1.150 488 N HN 0.340 nan 8.380 nan 0.000 0.479 489 L N 2.158 123.424 121.223 0.072 0.000 2.262 489 L HA 0.286 4.626 4.340 0.000 0.000 0.288 489 L C 0.587 177.469 176.870 0.021 0.000 1.035 489 L CA -0.289 54.597 54.840 0.077 0.000 0.820 489 L CB 0.572 42.793 42.059 0.271 0.000 1.204 489 L HN 0.470 nan 8.230 nan 0.000 0.424 490 D N 1.644 122.016 120.400 -0.045 0.000 2.213 490 D HA -0.006 4.634 4.640 0.000 0.000 0.205 490 D C 0.232 176.553 176.300 0.036 0.000 0.961 490 D CA 0.729 54.730 54.000 0.002 0.000 0.853 490 D CB 0.686 41.488 40.800 0.004 0.000 0.967 490 D HN 0.396 nan 8.370 nan 0.000 0.496 491 S N -0.430 115.289 115.700 0.033 0.000 2.566 491 S HA 0.565 5.035 4.470 0.000 0.000 0.273 491 S C -1.567 173.060 174.600 0.045 0.000 1.157 491 S CA -0.717 57.511 58.200 0.047 0.000 0.938 491 S CB 1.290 64.519 63.200 0.048 0.000 1.087 491 S HN 0.094 nan 8.310 nan 0.000 0.474 492 I N 3.406 124.019 120.570 0.073 0.000 2.656 492 I HA 0.675 4.845 4.170 0.000 0.000 0.292 492 I C -1.779 174.399 176.117 0.101 0.000 1.144 492 I CA -0.144 61.209 61.300 0.089 0.000 1.038 492 I CB 2.042 40.119 38.000 0.128 0.000 1.244 492 I HN 0.702 nan 8.210 nan 0.000 0.420 493 D N 5.221 125.689 120.400 0.113 0.000 2.596 493 D HA 0.847 5.487 4.640 0.000 0.000 0.234 493 D C -1.723 174.650 176.300 0.121 0.000 1.181 493 D CA -0.335 53.736 54.000 0.119 0.000 0.856 493 D CB 2.500 43.381 40.800 0.136 0.000 1.498 493 D HN 0.732 nan 8.370 nan 0.000 0.446 494 A N 0.904 123.784 122.820 0.101 0.000 2.449 494 A HA 0.776 5.096 4.320 0.000 0.000 0.302 494 A C -0.616 177.011 177.584 0.073 0.000 1.048 494 A CA -0.304 51.787 52.037 0.090 0.000 0.708 494 A CB 1.422 20.464 19.000 0.071 0.000 1.274 494 A HN 0.742 nan 8.150 nan 0.000 0.410 495 A N 0.944 123.819 122.820 0.092 0.000 2.511 495 A HA 0.458 4.778 4.320 0.000 0.000 0.242 495 A C 1.496 179.091 177.584 0.019 0.000 1.069 495 A CA 0.441 52.529 52.037 0.086 0.000 0.763 495 A CB -0.171 18.928 19.000 0.165 0.000 1.001 495 A HN 1.957 nan 8.150 nan 0.000 0.498 496 G N 1.309 110.091 108.800 -0.030 0.000 2.440 496 G HA2 -0.216 3.744 3.960 0.000 0.000 0.218 496 G HA3 -0.216 3.744 3.960 0.000 0.000 0.218 496 G C 0.964 175.766 174.900 -0.165 0.000 1.154 496 G CA 1.107 46.139 45.100 -0.114 0.000 0.767 496 G HN 0.762 nan 8.290 nan 0.000 0.552 497 N N -0.508 118.083 118.700 -0.182 0.000 2.250 497 N HA 0.138 4.878 4.740 0.000 0.000 0.190 497 N C -0.551 174.459 175.510 -0.834 0.000 1.116 497 N CA 0.108 52.880 53.050 -0.463 0.000 0.881 497 N CB 0.640 38.812 38.487 -0.525 0.000 1.006 497 N HN 0.297 nan 8.380 nan 0.000 0.491 498 F N 0.252 120.211 119.950 0.015 0.000 2.710 498 F HA 0.391 4.918 4.527 0.000 0.000 0.345 498 F C -1.994 173.816 175.800 0.018 0.000 1.362 498 F CA -1.682 56.331 58.000 0.023 0.000 1.175 498 F CB 1.941 40.959 39.000 0.029 0.000 1.561 498 F HN -0.201 nan 8.300 nan 0.000 0.593 499 P HA -0.114 nan 4.420 nan 0.000 0.236 499 P C 1.231 178.573 177.300 0.069 0.000 1.172 499 P CA 0.906 64.044 63.100 0.064 0.000 0.759 499 P CB 0.046 31.761 31.700 0.025 0.000 0.843 500 N N -0.184 118.571 118.700 0.091 0.000 2.381 500 N HA -0.068 4.672 4.740 0.000 0.000 0.182 500 N C 0.518 176.039 175.510 0.020 0.000 1.025 500 N CA 0.476 53.552 53.050 0.044 0.000 0.888 500 N CB -0.657 37.861 38.487 0.052 0.000 0.965 500 N HN 0.122 nan 8.380 nan 0.000 0.438 501 V N 0.828 120.794 119.914 0.086 0.000 2.406 501 V HA 0.473 4.593 4.120 0.000 0.000 0.272 501 V C -0.513 175.638 176.094 0.095 0.000 1.043 501 V CA -0.552 61.807 62.300 0.097 0.000 0.915 501 V CB 1.109 33.036 31.823 0.174 0.000 0.988 501 V HN -0.063 nan 8.190 nan 0.000 0.466 502 V N 6.671 126.618 119.914 0.055 0.000 2.656 502 V HA 0.636 4.756 4.120 0.000 0.000 0.307 502 V C -0.080 176.141 176.094 0.211 0.000 1.051 502 V CA -0.271 62.081 62.300 0.086 0.000 0.893 502 V CB 1.998 33.813 31.823 -0.013 0.000 0.999 502 V HN 1.056 nan 8.190 nan 0.000 0.426 503 V N 2.945 122.999 119.914 0.234 0.000 2.628 503 V HA 0.895 5.015 4.120 0.000 0.000 0.306 503 V C -0.507 175.670 176.094 0.139 0.000 1.045 503 V CA -0.848 61.604 62.300 0.254 0.000 0.905 503 V CB 1.711 33.688 31.823 0.255 0.000 0.997 503 V HN 1.058 nan 8.190 nan 0.000 0.436 504 R N 2.999 123.513 120.500 0.023 0.000 2.725 504 R HA 0.949 5.289 4.340 0.000 0.000 0.277 504 R C -0.950 175.289 176.300 -0.101 0.000 0.987 504 R CA -0.575 55.486 56.100 -0.065 0.000 0.901 504 R CB 2.283 32.464 30.300 -0.199 0.000 1.207 504 R HN 1.173 nan 8.270 nan 0.000 0.463 505 A N 1.195 123.954 122.820 -0.101 0.000 2.386 505 A HA 0.918 5.238 4.320 0.000 0.000 0.311 505 A C -0.530 176.879 177.584 -0.292 0.000 1.068 505 A CA -0.253 51.696 52.037 -0.147 0.000 0.743 505 A CB 1.944 20.837 19.000 -0.178 0.000 1.258 505 A HN 1.030 nan 8.150 nan 0.000 0.429 506 G N -0.619 107.736 108.800 -0.742 0.000 2.677 506 G HA2 0.564 4.524 3.960 0.000 0.000 0.283 506 G HA3 0.564 4.524 3.960 0.000 0.000 0.283 506 G C -0.975 173.487 174.900 -0.728 0.000 1.221 506 G CA 0.391 44.858 45.100 -1.056 0.000 0.851 506 G HN 1.343 nan 8.290 nan 0.000 0.504 507 S N -0.744 114.573 115.700 -0.639 0.000 2.502 507 S HA 0.734 5.204 4.470 0.000 0.000 0.304 507 S C -0.898 173.585 174.600 -0.195 0.000 1.097 507 S CA -0.158 57.885 58.200 -0.262 0.000 1.045 507 S CB 1.342 64.483 63.200 -0.098 0.000 1.019 507 S HN 1.203 nan 8.310 nan 0.000 0.481 508 S N 2.555 118.099 115.700 -0.260 0.000 2.546 508 S HA 0.621 5.091 4.470 0.000 0.000 0.272 508 S C 0.592 174.620 174.600 -0.952 0.000 1.140 508 S CA -0.113 57.752 58.200 -0.557 0.000 0.920 508 S CB 1.235 64.322 63.200 -0.188 0.000 1.083 508 S HN 0.921 nan 8.310 nan 0.000 0.476 509 G N 1.945 109.415 108.800 -2.218 0.000 2.887 509 G HA2 0.136 4.096 3.960 0.000 0.000 0.211 509 G HA3 0.136 4.096 3.960 0.000 0.000 0.211 509 G C 0.478 174.799 174.900 -0.965 0.000 1.152 509 G CA 0.038 44.055 45.100 -1.806 0.000 0.769 509 G HN 0.783 nan 8.290 nan 0.000 0.541 510 H N 0.807 119.302 119.070 -0.960 0.000 2.505 510 H HA 0.370 4.926 4.556 0.000 0.000 0.351 510 H C -0.697 174.381 175.328 -0.416 0.000 1.151 510 H CA -0.098 55.670 56.048 -0.465 0.000 1.339 510 H CB 1.250 30.781 29.762 -0.386 0.000 1.483 510 H HN -0.033 nan 8.280 nan 0.000 0.558 511 E N 3.660 123.364 120.200 -0.827 0.000 2.171 511 E HA 0.150 4.500 4.350 0.000 0.000 0.271 511 E C -1.147 175.066 176.600 -0.644 0.000 0.916 511 E CA -0.609 55.474 56.400 -0.528 0.000 0.774 511 E CB 1.317 30.813 29.700 -0.341 0.000 1.128 511 E HN 0.444 nan 8.360 nan 0.000 0.403 512 Y N 0.973 121.200 120.300 -0.123 0.000 2.330 512 Y HA 0.139 4.689 4.550 0.000 0.000 0.336 512 Y C 0.564 176.452 175.900 -0.020 0.000 1.036 512 Y CA -0.851 57.239 58.100 -0.016 0.000 1.125 512 Y CB 0.970 39.472 38.460 0.070 0.000 1.194 512 Y HN 0.259 nan 8.280 nan 0.000 0.469 513 D N 2.033 122.514 120.400 0.135 0.000 2.586 513 D HA -0.077 4.563 4.640 0.000 0.000 0.234 513 D C 0.447 176.804 176.300 0.094 0.000 1.132 513 D CA 0.859 54.907 54.000 0.081 0.000 0.860 513 D CB 0.364 41.208 40.800 0.073 0.000 1.159 513 D HN 0.725 nan 8.370 nan 0.000 0.490 514 S N -0.596 115.143 115.700 0.065 0.000 3.420 514 S HA -0.118 4.352 4.470 0.000 0.000 0.367 514 S C 0.177 174.835 174.600 0.096 0.000 1.063 514 S CA 0.928 59.168 58.200 0.067 0.000 1.073 514 S CB -1.183 62.051 63.200 0.056 0.000 0.905 514 S HN 0.800 nan 8.310 nan 0.000 0.485 515 A N -0.883 122.010 122.820 0.121 0.000 2.593 515 A HA 0.789 5.110 4.320 0.000 0.000 0.290 515 A C -0.405 177.280 177.584 0.169 0.000 1.126 515 A CA -0.169 51.960 52.037 0.154 0.000 0.695 515 A CB 1.518 20.599 19.000 0.135 0.000 1.290 515 A HN 1.130 nan 8.150 nan 0.000 0.414 516 c N 1.079 119.802 118.600 0.205 0.000 2.301 516 c HA 0.679 5.249 4.570 0.000 0.000 0.323 516 c C 1.394 175.627 174.090 0.238 0.000 1.265 516 c CA 0.214 56.655 56.329 0.186 0.000 1.503 516 c CB -0.054 42.559 42.510 0.170 0.000 2.195 516 c HN 1.421 nan 8.230 nan 0.000 0.477 517 A N 4.786 127.745 122.820 0.233 0.000 2.209 517 A HA 0.024 4.344 4.320 0.000 0.000 0.212 517 A C 1.889 179.671 177.584 0.329 0.000 1.158 517 A CA 0.870 53.099 52.037 0.320 0.000 0.742 517 A CB -0.245 18.971 19.000 0.360 0.000 0.790 517 A HN 0.907 nan 8.150 nan 0.000 0.472 518 R N -0.626 120.032 120.500 0.263 0.000 2.310 518 R HA 0.284 4.624 4.340 0.000 0.000 0.202 518 R C 0.776 177.328 176.300 0.420 0.000 0.933 518 R CA 0.716 56.958 56.100 0.237 0.000 1.054 518 R CB 0.319 30.672 30.300 0.089 0.000 0.985 518 R HN 0.433 nan 8.270 nan 0.000 0.489 519 G N -1.519 107.566 108.800 0.475 0.000 2.677 519 G HA2 0.748 4.709 3.960 0.000 0.000 0.291 519 G HA3 0.748 4.709 3.960 0.000 0.000 0.291 519 G C -1.726 172.945 174.900 -0.381 0.000 1.435 519 G CA -0.087 45.142 45.100 0.214 0.000 0.826 519 G HN 0.140 nan 8.290 nan 0.000 0.491 520 A N -0.518 121.792 122.820 -0.850 0.000 2.586 520 A HA 0.896 5.216 4.320 0.000 0.000 0.290 520 A C -1.646 175.666 177.584 -0.454 0.000 1.086 520 A CA -0.668 50.830 52.037 -0.898 0.000 0.665 520 A CB 1.152 19.863 19.000 -0.481 0.000 1.279 520 A HN 2.173 nan 8.150 nan 0.000 0.423 521 Y N -1.565 118.602 120.300 -0.222 0.000 2.545 521 Y HA 0.899 5.449 4.550 0.000 0.000 0.348 521 Y C -0.267 175.585 175.900 -0.080 0.000 1.002 521 Y CA -0.788 57.350 58.100 0.063 0.000 1.039 521 Y CB 1.468 40.036 38.460 0.181 0.000 1.271 521 Y HN 1.343 nan 8.280 nan 0.000 0.467 522 A N 0.913 123.513 122.820 -0.366 0.000 2.384 522 A HA 0.662 4.983 4.320 0.000 0.000 0.312 522 A C 0.112 177.533 177.584 -0.272 0.000 1.113 522 A CA -0.338 51.284 52.037 -0.692 0.000 0.779 522 A CB 1.218 19.362 19.000 -1.428 0.000 1.307 522 A HN 1.180 nan 8.150 nan 0.000 0.436 523 T N -2.328 112.078 114.554 -0.246 0.000 3.200 523 T HA 0.228 4.578 4.350 0.000 0.000 0.284 523 T C -0.218 174.400 174.700 -0.137 0.000 1.009 523 T CA 0.495 62.524 62.100 -0.119 0.000 0.907 523 T CB -0.211 68.613 68.868 -0.072 0.000 1.120 523 T HN 0.613 nan 8.240 nan 0.000 0.534 524 D N 0.063 120.334 120.400 -0.215 0.000 2.501 524 D HA 0.351 4.991 4.640 0.000 0.000 0.224 524 D C 1.537 177.748 176.300 -0.149 0.000 1.202 524 D CA 0.042 53.944 54.000 -0.163 0.000 0.829 524 D CB -0.178 40.516 40.800 -0.177 0.000 1.023 524 D HN 0.444 nan 8.370 nan 0.000 0.499 525 G N -0.349 108.354 108.800 -0.162 0.000 2.213 525 G HA2 -0.033 3.927 3.960 0.000 0.000 0.236 525 G HA3 -0.033 3.927 3.960 0.000 0.000 0.236 525 G C 0.988 175.790 174.900 -0.164 0.000 0.991 525 G CA -0.006 45.030 45.100 -0.108 0.000 0.629 525 G HN 1.409 nan 8.290 nan 0.000 0.517 526 G N -0.821 107.741 108.800 -0.397 0.000 2.245 526 G HA2 0.129 4.089 3.960 0.000 0.000 0.116 526 G HA3 0.129 4.089 3.960 0.000 0.000 0.116 526 G C 0.066 174.782 174.900 -0.306 0.000 1.054 526 G CA 0.893 45.630 45.100 -0.606 0.000 0.728 526 G HN 0.469 nan 8.290 nan 0.000 0.483 527 D N 0.124 120.263 120.400 -0.435 0.000 3.161 527 D HA 0.328 4.968 4.640 0.000 0.000 0.287 527 D C 1.670 177.797 176.300 -0.288 0.000 1.343 527 D CA 0.946 54.853 54.000 -0.155 0.000 1.070 527 D CB -0.084 40.670 40.800 -0.077 0.000 1.188 527 D HN 0.680 nan 8.370 nan 0.000 0.409 528 A N 1.215 123.807 122.820 -0.380 0.000 2.350 528 A HA 0.343 4.663 4.320 0.000 0.000 0.293 528 A C -0.991 176.303 177.584 -0.483 0.000 1.231 528 A CA -0.178 51.681 52.037 -0.297 0.000 0.883 528 A CB -0.450 18.413 19.000 -0.228 0.000 1.133 528 A HN 0.124 nan 8.150 nan 0.000 0.533 529 W N 1.349 122.490 121.300 -0.264 0.000 2.469 529 W HA 0.478 5.139 4.660 0.000 0.000 0.320 529 W C 0.165 176.420 176.519 -0.440 0.000 1.086 529 W CA -0.170 56.946 57.345 -0.382 0.000 1.211 529 W CB 1.756 30.975 29.460 -0.402 0.000 1.298 529 W HN 0.508 nan 8.180 nan 0.000 0.525 530 T N 4.747 119.046 114.554 -0.426 0.000 2.743 530 T HA 0.404 4.755 4.350 0.000 0.000 0.292 530 T C 0.071 174.540 174.700 -0.385 0.000 0.972 530 T CA -0.565 61.236 62.100 -0.498 0.000 0.967 530 T CB 0.085 68.418 68.868 -0.893 0.000 0.926 530 T HN 0.101 nan 8.240 nan 0.000 0.459 531 I N 3.751 124.179 120.570 -0.237 0.000 2.533 531 I HA 0.160 4.330 4.170 0.000 0.000 0.284 531 I C 0.535 176.695 176.117 0.072 0.000 1.109 531 I CA -0.326 60.869 61.300 -0.176 0.000 1.412 531 I CB 0.077 37.944 38.000 -0.222 0.000 1.396 531 I HN 0.593 nan 8.210 nan 0.000 0.543 532 F N 7.745 127.827 119.950 0.221 0.000 2.604 532 F HA -0.023 4.504 4.527 0.000 0.000 0.393 532 F C -1.034 174.915 175.800 0.247 0.000 1.043 532 F CA -1.208 56.999 58.000 0.344 0.000 1.227 532 F CB 0.090 39.373 39.000 0.471 0.000 1.016 532 F HN 0.443 nan 8.300 nan 0.000 0.556 533 P HA -0.114 nan 4.420 nan 0.000 0.216 533 P C 0.256 177.703 177.300 0.246 0.000 1.150 533 P CA 1.565 64.821 63.100 0.260 0.000 0.843 533 P CB 0.058 31.878 31.700 0.200 0.000 0.787 534 T N -4.903 109.842 114.554 0.318 0.000 2.883 534 T HA 0.611 4.961 4.350 0.000 0.000 0.296 534 T C -0.756 174.139 174.700 0.326 0.000 1.117 534 T CA -0.819 61.436 62.100 0.258 0.000 1.006 534 T CB 1.081 70.059 68.868 0.183 0.000 1.191 534 T HN -0.124 nan 8.240 nan 0.000 0.508 535 c N 1.656 120.255 118.600 -0.001 0.000 2.595 535 c HA 0.766 5.336 4.570 0.000 0.000 0.338 535 c C -2.317 171.296 174.090 -0.796 0.000 1.219 535 c CA -1.350 54.682 56.329 -0.496 0.000 1.811 535 c CB 1.061 43.276 42.510 -0.491 0.000 2.313 535 c HN 0.767 nan 8.230 nan 0.000 0.499 536 P HA 0.078 nan 4.420 nan 0.000 0.266 536 P C -2.387 174.250 177.300 -1.106 0.000 1.186 536 P CA -0.263 61.920 63.100 -1.528 0.000 0.767 536 P CB -0.277 30.147 31.700 -2.127 0.000 0.820 537 P HA -0.030 nan 4.420 nan 0.000 0.266 537 P C 0.920 177.898 177.300 -0.537 0.000 1.195 537 P CA 1.022 63.785 63.100 -0.561 0.000 0.768 537 P CB 0.265 31.743 31.700 -0.369 0.000 0.838 538 G N 2.132 110.700 108.800 -0.386 0.000 2.258 538 G HA2 -0.215 3.745 3.960 0.000 0.000 0.233 538 G HA3 -0.215 3.745 3.960 0.000 0.000 0.233 538 G C 0.392 175.005 174.900 -0.477 0.000 1.006 538 G CA -0.212 44.677 45.100 -0.352 0.000 0.620 538 G HN 0.457 nan 8.290 nan 0.000 0.511 539 M N 3.226 122.456 119.600 -0.616 0.000 3.654 539 M HA 0.286 4.766 4.480 0.000 0.000 0.212 539 M C 0.737 176.828 176.300 -0.348 0.000 1.354 539 M CA -0.667 54.249 55.300 -0.640 0.000 1.564 539 M CB -1.494 30.587 32.600 -0.866 0.000 1.056 539 M HN 0.617 nan 8.290 nan 0.000 0.608 540 N N -0.816 117.746 118.700 -0.230 0.000 2.671 540 N HA 0.565 5.306 4.740 0.000 0.000 0.303 540 N C 0.874 176.311 175.510 -0.122 0.000 1.277 540 N CA -0.497 52.459 53.050 -0.156 0.000 0.933 540 N CB 0.851 39.257 38.487 -0.134 0.000 1.190 540 N HN 0.128 nan 8.380 nan 0.000 0.600 541 A N 0.422 123.153 122.820 -0.147 0.000 1.986 541 A HA -0.165 4.155 4.320 0.000 0.000 0.220 541 A C 2.137 179.656 177.584 -0.109 0.000 1.171 541 A CA 1.839 53.761 52.037 -0.192 0.000 0.640 541 A CB -0.906 17.960 19.000 -0.225 0.000 0.811 541 A HN 0.656 nan 8.150 nan 0.000 0.451 542 S N -1.703 113.970 115.700 -0.046 0.000 2.496 542 S HA 0.014 4.484 4.470 0.000 0.000 0.224 542 S C 0.774 175.442 174.600 0.113 0.000 0.996 542 S CA 0.018 58.232 58.200 0.024 0.000 0.927 542 S CB -0.348 62.865 63.200 0.022 0.000 0.774 542 S HN 0.761 nan 8.310 nan 0.000 0.524 543 H N 0.776 119.818 119.070 -0.047 0.000 3.004 543 H HA 0.079 4.635 4.556 0.000 0.000 0.316 543 H C 0.483 175.799 175.328 -0.019 0.000 1.014 543 H CA 0.370 56.360 56.048 -0.096 0.000 1.454 543 H CB 0.148 29.798 29.762 -0.187 0.000 1.472 543 H HN 0.415 nan 8.280 nan 0.000 0.571 544 Y N 1.362 121.382 120.300 -0.466 0.000 2.471 544 Y HA 0.264 4.814 4.550 0.000 0.000 0.249 544 Y C 1.125 176.795 175.900 -0.384 0.000 1.116 544 Y CA -0.433 57.479 58.100 -0.314 0.000 1.240 544 Y CB 0.012 38.364 38.460 -0.179 0.000 1.251 544 Y HN 0.452 nan 8.280 nan 0.000 0.527 545 Q N 1.977 121.094 119.800 -1.139 0.000 2.444 545 Q HA 0.336 4.676 4.340 0.000 0.000 0.206 545 Q C 1.314 177.127 176.000 -0.312 0.000 0.948 545 Q CA 0.803 56.162 55.803 -0.741 0.000 0.946 545 Q CB 0.174 28.444 28.738 -0.779 0.000 1.027 545 Q HN 0.711 nan 8.270 nan 0.000 0.513 546 G N 0.359 109.031 108.800 -0.213 0.000 2.698 546 G HA2 -0.149 3.811 3.960 0.000 0.000 0.233 546 G HA3 -0.149 3.811 3.960 0.000 0.000 0.233 546 G C -0.219 174.789 174.900 0.180 0.000 1.352 546 G CA -0.194 44.920 45.100 0.023 0.000 0.879 546 G HN 0.848 nan 8.290 nan 0.000 0.567 547 S N -3.202 112.587 115.700 0.148 0.000 2.643 547 S HA 0.774 5.244 4.470 0.000 0.000 0.266 547 S C -0.849 173.865 174.600 0.191 0.000 1.130 547 S CA 0.403 58.719 58.200 0.193 0.000 0.817 547 S CB 1.761 65.144 63.200 0.304 0.000 1.107 547 S HN 1.769 nan 8.310 nan 0.000 0.471 548 T N 1.500 116.194 114.554 0.233 0.000 2.840 548 T HA 0.647 4.997 4.350 0.000 0.000 0.287 548 T C -0.859 173.989 174.700 0.248 0.000 0.991 548 T CA -0.331 61.883 62.100 0.189 0.000 0.964 548 T CB 0.918 69.871 68.868 0.141 0.000 0.954 548 T HN 0.690 nan 8.240 nan 0.000 0.438 549 I N 2.669 123.299 120.570 0.099 0.000 2.530 549 I HA 0.812 4.982 4.170 0.000 0.000 0.297 549 I C -0.718 175.460 176.117 0.101 0.000 1.011 549 I CA -0.619 60.674 61.300 -0.012 0.000 1.107 549 I CB 1.128 38.903 38.000 -0.375 0.000 1.285 549 I HN 0.767 nan 8.210 nan 0.000 0.436 550 A N 6.066 128.986 122.820 0.166 0.000 2.498 550 A HA 0.755 5.075 4.320 0.000 0.000 0.298 550 A C -1.807 175.987 177.584 0.352 0.000 1.075 550 A CA -0.547 51.655 52.037 0.274 0.000 0.714 550 A CB 1.993 21.227 19.000 0.391 0.000 1.299 550 A HN 0.521 nan 8.150 nan 0.000 0.407 551 V N 2.678 122.797 119.914 0.342 0.000 2.540 551 V HA 0.462 4.582 4.120 0.000 0.000 0.302 551 V C -0.763 175.460 176.094 0.215 0.000 1.035 551 V CA -0.614 61.870 62.300 0.306 0.000 0.873 551 V CB 1.621 33.566 31.823 0.204 0.000 0.992 551 V HN 1.081 nan 8.190 nan 0.000 0.428 552 D N 5.973 126.474 120.400 0.167 0.000 2.399 552 D HA 0.234 4.874 4.640 0.000 0.000 0.241 552 D C 0.223 176.478 176.300 -0.075 0.000 1.133 552 D CA 0.068 53.952 54.000 -0.194 0.000 0.890 552 D CB 1.983 42.643 40.800 -0.233 0.000 1.201 552 D HN 0.800 nan 8.370 nan 0.000 0.432 553 A N 1.796 124.544 122.820 -0.119 0.000 2.540 553 A HA 0.317 4.637 4.320 0.000 0.000 0.239 553 A C 1.246 178.870 177.584 0.067 0.000 1.061 553 A CA 0.926 52.950 52.037 -0.023 0.000 0.758 553 A CB -0.183 18.783 19.000 -0.057 0.000 0.991 553 A HN 1.628 nan 8.150 nan 0.000 0.502 554 S N 0.873 116.725 115.700 0.254 0.000 2.089 554 S HA -0.073 4.397 4.470 0.000 0.000 0.251 554 S C 1.924 176.662 174.600 0.230 0.000 1.211 554 S CA 1.170 59.620 58.200 0.417 0.000 1.307 554 S CB -2.212 61.109 63.200 0.201 0.000 1.617 554 S HN 3.018 nan 8.310 nan 0.000 0.596 555 G N 0.883 109.789 108.800 0.176 0.000 2.395 555 G HA2 -0.183 3.777 3.960 0.000 0.000 0.300 555 G HA3 -0.183 3.777 3.960 0.000 0.000 0.300 555 G C 0.642 175.576 174.900 0.057 0.000 0.998 555 G CA 1.351 46.532 45.100 0.135 0.000 1.046 555 G HN 2.214 nan 8.290 nan 0.000 0.513 556 S N -2.381 113.260 115.700 -0.097 0.000 2.619 556 S HA 0.344 4.814 4.470 0.000 0.000 0.238 556 S C 0.558 174.851 174.600 -0.513 0.000 1.068 556 S CA 0.216 58.225 58.200 -0.318 0.000 0.926 556 S CB 0.656 63.755 63.200 -0.169 0.000 0.864 556 S HN 0.510 nan 8.310 nan 0.000 0.493 557 Q N 0.630 120.257 119.800 -0.289 0.000 2.340 557 Q HA 0.712 5.052 4.340 0.000 0.000 0.268 557 Q C -1.573 174.465 176.000 0.063 0.000 1.031 557 Q CA -0.331 55.331 55.803 -0.235 0.000 0.804 557 Q CB 2.398 30.983 28.738 -0.256 0.000 1.286 557 Q HN 0.401 nan 8.270 nan 0.000 0.448 558 I N 1.902 122.492 120.570 0.033 0.000 2.498 558 I HA 0.469 4.639 4.170 0.000 0.000 0.290 558 I C -0.851 175.361 176.117 0.158 0.000 1.032 558 I CA -1.047 60.336 61.300 0.139 0.000 1.073 558 I CB 1.958 40.034 38.000 0.126 0.000 1.251 558 I HN 0.235 nan 8.210 nan 0.000 0.426 559 V N 4.986 124.907 119.914 0.011 0.000 2.513 559 V HA 0.440 4.560 4.120 0.000 0.000 0.299 559 V C -1.324 174.938 176.094 0.279 0.000 1.035 559 V CA -0.439 61.866 62.300 0.007 0.000 0.889 559 V CB 2.089 33.548 31.823 -0.605 0.000 0.988 559 V HN 0.688 nan 8.190 nan 0.000 0.440 560 W N 4.541 125.913 121.300 0.120 0.000 2.728 560 W HA 0.540 5.200 4.660 0.000 0.000 0.324 560 W C -0.279 176.241 176.519 0.003 0.000 1.012 560 W CA -1.034 56.298 57.345 -0.022 0.000 1.279 560 W CB 1.692 30.950 29.460 -0.336 0.000 1.289 560 W HN 0.543 nan 8.180 nan 0.000 0.418 561 S N 2.675 118.541 115.700 0.277 0.000 2.525 561 S HA 0.392 4.863 4.470 0.000 0.000 0.278 561 S C 1.100 175.699 174.600 -0.002 0.000 1.234 561 S CA 0.391 58.652 58.200 0.102 0.000 1.058 561 S CB 1.181 64.414 63.200 0.055 0.000 0.983 561 S HN 0.497 nan 8.310 nan 0.000 0.495 562 T N 1.160 115.650 114.554 -0.106 0.000 3.086 562 T HA 0.291 4.641 4.350 0.000 0.000 0.250 562 T C 0.559 175.240 174.700 -0.031 0.000 1.074 562 T CA -0.201 61.766 62.100 -0.222 0.000 0.988 562 T CB -0.600 68.043 68.868 -0.375 0.000 0.988 562 T HN 0.882 nan 8.240 nan 0.000 0.530 563 K N 0.458 120.852 120.400 -0.011 0.000 3.130 563 K HA -0.125 4.195 4.320 0.000 0.000 0.282 563 K C -0.531 176.051 176.600 -0.030 0.000 1.145 563 K CA 0.349 56.628 56.287 -0.013 0.000 0.831 563 K CB -1.973 30.524 32.500 -0.004 0.000 1.226 563 K HN 0.516 nan 8.250 nan 0.000 0.478 564 L N 1.045 122.254 121.223 -0.023 0.000 2.278 564 L HA 0.094 4.435 4.340 0.000 0.000 0.287 564 L C 1.543 178.389 176.870 -0.040 0.000 1.072 564 L CA -0.353 54.466 54.840 -0.035 0.000 0.819 564 L CB 0.833 42.878 42.059 -0.024 0.000 1.176 564 L HN 0.087 nan 8.230 nan 0.000 0.435 565 D N 1.946 122.319 120.400 -0.046 0.000 2.178 565 D HA -0.163 4.477 4.640 0.000 0.000 0.201 565 D C 1.378 177.657 176.300 -0.034 0.000 0.980 565 D CA 1.461 55.437 54.000 -0.039 0.000 0.842 565 D CB 0.410 41.191 40.800 -0.033 0.000 0.948 565 D HN 0.625 nan 8.370 nan 0.000 0.472 566 E N 0.240 120.423 120.200 -0.029 0.000 2.478 566 E HA -0.040 4.311 4.350 0.000 0.000 0.198 566 E C 0.553 177.142 176.600 -0.019 0.000 1.046 566 E CA 0.269 56.656 56.400 -0.021 0.000 0.870 566 E CB -0.029 29.660 29.700 -0.018 0.000 0.818 566 E HN 0.235 nan 8.360 nan 0.000 0.527 567 Q N 0.413 120.201 119.800 -0.021 0.000 2.398 567 Q HA 0.442 4.782 4.340 0.000 0.000 0.251 567 Q C -0.788 175.175 176.000 -0.060 0.000 0.999 567 Q CA -0.515 55.280 55.803 -0.012 0.000 0.874 567 Q CB 1.271 30.034 28.738 0.041 0.000 1.215 567 Q HN 0.184 nan 8.270 nan 0.000 0.470 568 A N 3.143 125.924 122.820 -0.065 0.000 3.077 568 A HA 0.326 4.646 4.320 0.000 0.000 0.255 568 A C -0.221 177.276 177.584 -0.146 0.000 1.728 568 A CA 0.176 52.159 52.037 -0.089 0.000 1.383 568 A CB -0.136 18.826 19.000 -0.063 0.000 1.097 568 A HN 0.433 nan 8.150 nan 0.000 0.634 569 S N 0.011 115.589 115.700 -0.203 0.000 2.542 569 S HA 0.596 5.067 4.470 0.000 0.000 0.276 569 S C 0.170 174.552 174.600 -0.364 0.000 1.148 569 S CA 0.055 58.061 58.200 -0.323 0.000 0.886 569 S CB 0.625 63.519 63.200 -0.509 0.000 1.109 569 S HN 1.216 nan 8.310 nan 0.000 0.458 570 G N 2.429 111.004 108.800 -0.376 0.000 2.684 570 G HA2 0.514 4.474 3.960 0.000 0.000 0.255 570 G HA3 0.514 4.474 3.960 0.000 0.000 0.255 570 G C -2.875 171.778 174.900 -0.411 0.000 1.219 570 G CA -1.371 43.482 45.100 -0.411 0.000 0.901 570 G HN 0.564 nan 8.290 nan 0.000 0.548 571 P HA -0.001 nan 4.420 nan 0.000 0.261 571 P C -0.445 176.864 177.300 0.014 0.000 1.183 571 P CA 0.057 63.084 63.100 -0.122 0.000 0.761 571 P CB 0.274 31.916 31.700 -0.096 0.000 0.785 572 W N 4.242 125.568 121.300 0.042 0.000 2.209 572 W HA 0.196 4.856 4.660 0.000 0.000 0.344 572 W C 0.628 177.387 176.519 0.401 0.000 1.285 572 W CA 0.534 57.979 57.345 0.167 0.000 1.267 572 W CB -0.425 29.060 29.460 0.042 0.000 1.167 572 W HN 0.408 nan 8.180 nan 0.000 0.574 573 Y N -0.262 120.334 120.300 0.494 0.000 2.536 573 Y HA 0.791 5.341 4.550 0.000 0.000 0.347 573 Y C -0.655 175.233 175.900 -0.019 0.000 1.000 573 Y CA -1.711 56.548 58.100 0.264 0.000 1.051 573 Y CB 2.030 40.544 38.460 0.090 0.000 1.259 573 Y HN 0.271 nan 8.280 nan 0.000 0.468 574 S N 1.053 116.637 115.700 -0.193 0.000 2.572 574 S HA 0.386 4.856 4.470 0.000 0.000 0.274 574 S C -1.121 173.426 174.600 -0.090 0.000 1.150 574 S CA -0.612 57.212 58.200 -0.626 0.000 0.944 574 S CB 0.566 62.732 63.200 -1.723 0.000 1.071 574 S HN 0.971 nan 8.310 nan 0.000 0.479 575 H N 1.909 120.790 119.070 -0.315 0.000 2.674 575 H HA 0.198 4.754 4.556 0.000 0.000 0.274 575 H C -0.638 174.518 175.328 -0.287 0.000 1.121 575 H CA -0.200 55.706 56.048 -0.236 0.000 1.132 575 H CB 0.616 30.336 29.762 -0.071 0.000 1.606 575 H HN 0.576 nan 8.280 nan 0.000 0.558 576 D N -0.519 119.751 120.400 -0.218 0.000 2.945 576 D HA -0.013 4.627 4.640 0.000 0.000 0.366 576 D C -0.566 175.676 176.300 -0.096 0.000 1.352 576 D CA -0.934 52.997 54.000 -0.114 0.000 0.810 576 D CB -1.158 39.599 40.800 -0.072 0.000 1.170 576 D HN 0.087 nan 8.370 nan 0.000 0.461 577 Y N 1.263 121.388 120.300 -0.291 0.000 2.981 577 Y HA -0.088 4.462 4.550 0.000 0.000 0.204 577 Y C 1.803 177.600 175.900 -0.171 0.000 1.265 577 Y CA 1.085 58.942 58.100 -0.405 0.000 0.941 577 Y CB -1.682 36.378 38.460 -0.665 0.000 1.254 577 Y HN 0.600 nan 8.280 nan 0.000 0.469 578 G N -1.075 107.516 108.800 -0.348 0.000 2.179 578 G HA2 -0.389 3.571 3.960 0.000 0.000 0.260 578 G HA3 -0.389 3.571 3.960 0.000 0.000 0.260 578 G C 1.304 176.143 174.900 -0.101 0.000 0.977 578 G CA 0.449 45.348 45.100 -0.335 0.000 0.641 578 G HN 0.500 nan 8.290 nan 0.000 0.533 579 K N -0.344 119.992 120.400 -0.107 0.000 2.097 579 K HA 0.004 4.324 4.320 0.000 0.000 0.206 579 K C 0.492 177.011 176.600 -0.134 0.000 1.049 579 K CA 1.521 57.781 56.287 -0.044 0.000 0.933 579 K CB -0.048 32.435 32.500 -0.029 0.000 0.717 579 K HN 0.405 nan 8.250 nan 0.000 0.442 580 T N -0.236 114.102 114.554 -0.359 0.000 2.928 580 T HA 0.303 4.653 4.350 0.000 0.000 0.296 580 T C -1.603 172.712 174.700 -0.642 0.000 1.000 580 T CA -0.564 61.327 62.100 -0.349 0.000 0.989 580 T CB 0.919 69.616 68.868 -0.284 0.000 1.005 580 T HN 0.090 nan 8.240 nan 0.000 0.442 581 W N 2.851 124.047 121.300 -0.173 0.000 2.471 581 W HA 0.599 5.260 4.660 0.000 0.000 0.318 581 W C 0.473 176.964 176.519 -0.046 0.000 1.034 581 W CA -0.555 56.695 57.345 -0.159 0.000 1.224 581 W CB 1.484 30.799 29.460 -0.242 0.000 1.335 581 W HN 0.715 nan 8.180 nan 0.000 0.452 582 S N 0.607 116.322 115.700 0.025 0.000 2.709 582 S HA 0.792 5.262 4.470 0.000 0.000 0.302 582 S C -1.057 173.537 174.600 -0.009 0.000 1.127 582 S CA -1.019 57.157 58.200 -0.040 0.000 0.905 582 S CB 1.441 64.410 63.200 -0.385 0.000 1.151 582 S HN 0.140 nan 8.310 nan 0.000 0.510 583 V N 3.134 122.993 119.914 -0.092 0.000 2.509 583 V HA 0.513 4.633 4.120 0.000 0.000 0.284 583 V C -1.965 174.167 176.094 0.064 0.000 1.047 583 V CA -1.455 60.690 62.300 -0.260 0.000 0.952 583 V CB 0.934 32.570 31.823 -0.311 0.000 0.988 583 V HN 0.856 nan 8.190 nan 0.000 0.469 584 P HA 0.580 nan 4.420 nan 0.000 0.285 584 P C -0.798 176.514 177.300 0.019 0.000 1.269 584 P CA -0.448 62.708 63.100 0.095 0.000 0.844 584 P CB 1.784 33.570 31.700 0.144 0.000 1.094 585 A N 0.420 123.253 122.820 0.022 0.000 2.263 585 A HA 0.890 5.210 4.320 0.000 0.000 0.318 585 A C 0.514 178.135 177.584 0.062 0.000 1.111 585 A CA -0.035 52.014 52.037 0.019 0.000 0.901 585 A CB 0.167 19.171 19.000 0.007 0.000 1.280 585 A HN 0.905 nan 8.150 nan 0.000 0.503 586 G N -0.657 108.180 108.800 0.062 0.000 2.451 586 G HA2 -0.104 3.856 3.960 0.000 0.000 0.208 586 G HA3 -0.104 3.856 3.960 0.000 0.000 0.208 586 G C -0.053 174.928 174.900 0.135 0.000 1.248 586 G CA 0.407 45.571 45.100 0.107 0.000 0.989 586 G HN 0.603 nan 8.290 nan 0.000 0.559 587 D N -0.301 120.239 120.400 0.233 0.000 2.224 587 D HA 0.068 4.709 4.640 0.000 0.000 0.205 587 D C 1.306 177.811 176.300 0.341 0.000 0.965 587 D CA 0.754 54.943 54.000 0.315 0.000 0.852 587 D CB 0.052 41.065 40.800 0.355 0.000 0.947 587 D HN 0.246 nan 8.370 nan 0.000 0.494 588 L N 1.256 122.537 121.223 0.096 0.000 2.268 588 L HA 0.183 4.523 4.340 0.000 0.000 0.289 588 L C 0.373 177.055 176.870 -0.313 0.000 1.064 588 L CA 0.126 54.686 54.840 -0.468 0.000 0.824 588 L CB 0.582 42.038 42.059 -1.005 0.000 1.202 588 L HN -0.288 nan 8.230 nan 0.000 0.433 589 K N 4.036 124.286 120.400 -0.251 0.000 2.618 589 K HA 0.599 4.919 4.320 0.000 0.000 0.207 589 K C -0.557 175.917 176.600 -0.211 0.000 1.058 589 K CA -0.078 56.092 56.287 -0.195 0.000 1.086 589 K CB 0.795 33.231 32.500 -0.107 0.000 0.827 589 K HN 0.628 nan 8.250 nan 0.000 0.481 590 A N 0.499 123.153 122.820 -0.276 0.000 2.515 590 A HA 0.330 4.651 4.320 0.000 0.000 0.298 590 A C -0.832 176.607 177.584 -0.241 0.000 1.059 590 A CA -0.755 51.149 52.037 -0.222 0.000 0.698 590 A CB 1.130 20.024 19.000 -0.176 0.000 1.289 590 A HN 0.058 nan 8.150 nan 0.000 0.404 591 Q N 1.736 121.438 119.800 -0.163 0.000 3.223 591 Q HA 0.079 4.419 4.340 0.000 0.000 0.299 591 Q C 0.510 176.447 176.000 -0.106 0.000 1.385 591 Q CA 0.256 55.987 55.803 -0.121 0.000 0.942 591 Q CB -0.324 28.381 28.738 -0.054 0.000 1.748 591 Q HN 0.759 nan 8.270 nan 0.000 0.523 592 T N -0.797 113.666 114.554 -0.152 0.000 2.932 592 T HA 0.206 4.556 4.350 0.000 0.000 0.312 592 T C 1.336 176.003 174.700 -0.055 0.000 1.071 592 T CA 0.418 62.449 62.100 -0.114 0.000 1.128 592 T CB 0.839 69.606 68.868 -0.167 0.000 0.984 592 T HN 0.505 nan 8.240 nan 0.000 0.549 593 A N 4.443 127.252 122.820 -0.019 0.000 1.969 593 A HA 0.041 4.361 4.320 0.000 0.000 0.218 593 A C 1.284 178.891 177.584 0.039 0.000 1.169 593 A CA 0.760 52.809 52.037 0.020 0.000 0.635 593 A CB -0.226 18.791 19.000 0.028 0.000 0.810 593 A HN 0.822 nan 8.150 nan 0.000 0.445 594 N N 0.845 119.560 118.700 0.025 0.000 2.868 594 N HA 0.352 5.092 4.740 0.000 0.000 0.252 594 N C -0.806 174.735 175.510 0.051 0.000 1.130 594 N CA 0.297 53.380 53.050 0.055 0.000 1.026 594 N CB 0.953 39.475 38.487 0.058 0.000 1.335 594 N HN 0.328 nan 8.380 nan 0.000 0.516 595 V N -0.298 119.670 119.914 0.091 0.000 2.709 595 V HA 0.835 4.955 4.120 0.000 0.000 0.308 595 V C -0.467 175.758 176.094 0.219 0.000 1.062 595 V CA -1.087 61.292 62.300 0.132 0.000 0.901 595 V CB 2.021 33.893 31.823 0.081 0.000 1.003 595 V HN 0.320 nan 8.190 nan 0.000 0.425 596 L N 2.283 123.693 121.223 0.311 0.000 2.582 596 L HA 0.935 5.275 4.340 0.000 0.000 0.257 596 L C -0.419 176.684 176.870 0.387 0.000 0.974 596 L CA -0.426 54.616 54.840 0.337 0.000 0.851 596 L CB 2.244 44.482 42.059 0.298 0.000 1.424 596 L HN 0.956 nan 8.230 nan 0.000 0.412 597 S N 0.052 115.930 115.700 0.298 0.000 2.585 597 S HA 0.334 4.804 4.470 0.000 0.000 0.277 597 S C -0.298 174.300 174.600 -0.003 0.000 1.241 597 S CA -0.720 57.498 58.200 0.030 0.000 1.041 597 S CB 1.412 64.613 63.200 0.002 0.000 0.987 597 S HN 0.828 nan 8.310 nan 0.000 0.512 598 D N 0.634 120.924 120.400 -0.183 0.000 2.423 598 D HA 0.072 4.712 4.640 0.000 0.000 0.238 598 D C 0.366 176.637 176.300 -0.048 0.000 1.142 598 D CA -0.046 53.953 54.000 -0.002 0.000 0.884 598 D CB 0.639 41.404 40.800 -0.058 0.000 1.199 598 D HN 0.489 nan 8.370 nan 0.000 0.438 599 K N 2.224 122.619 120.400 -0.009 0.000 2.358 599 K HA 0.100 4.420 4.320 0.000 0.000 0.197 599 K C 0.909 177.457 176.600 -0.087 0.000 1.025 599 K CA 0.087 56.334 56.287 -0.067 0.000 1.104 599 K CB 1.004 33.444 32.500 -0.100 0.000 0.855 599 K HN 0.264 nan 8.250 nan 0.000 0.531 600 V N -0.491 119.396 119.914 -0.045 0.000 3.159 600 V HA 0.052 4.172 4.120 0.000 0.000 0.234 600 V C 0.425 176.521 176.094 0.004 0.000 1.313 600 V CA -0.016 62.272 62.300 -0.020 0.000 1.271 600 V CB 0.518 32.355 31.823 0.022 0.000 1.053 600 V HN 0.094 nan 8.190 nan 0.000 0.476 601 Q N 1.838 121.652 119.800 0.023 0.000 2.304 601 Q HA 0.153 4.493 4.340 0.000 0.000 0.260 601 Q C -0.353 175.643 176.000 -0.007 0.000 0.965 601 Q CA 0.148 55.992 55.803 0.069 0.000 0.898 601 Q CB 0.393 29.263 28.738 0.219 0.000 1.196 601 Q HN 0.481 nan 8.270 nan 0.000 0.402 602 D N 2.894 123.294 120.400 -0.001 0.000 2.400 602 D HA 0.129 4.769 4.640 0.000 0.000 0.238 602 D C 0.667 176.903 176.300 -0.106 0.000 1.157 602 D CA 1.220 55.194 54.000 -0.043 0.000 0.889 602 D CB 0.563 41.361 40.800 -0.003 0.000 1.199 602 D HN 0.940 nan 8.370 nan 0.000 0.436 603 G N 1.600 110.293 108.800 -0.178 0.000 2.187 603 G HA2 -0.268 3.692 3.960 0.000 0.000 0.261 603 G HA3 -0.268 3.692 3.960 0.000 0.000 0.261 603 G C 0.300 175.030 174.900 -0.283 0.000 1.000 603 G CA 0.681 45.663 45.100 -0.197 0.000 0.718 603 G HN 0.538 nan 8.290 nan 0.000 0.519 604 T N -0.133 114.133 114.554 -0.480 0.000 2.824 604 T HA 0.700 5.050 4.350 0.000 0.000 0.280 604 T C -0.598 173.546 174.700 -0.927 0.000 0.995 604 T CA -0.146 61.662 62.100 -0.487 0.000 1.009 604 T CB 1.443 70.157 68.868 -0.256 0.000 0.955 604 T HN 0.235 nan 8.240 nan 0.000 0.452 605 F N 1.400 121.102 119.950 -0.414 0.000 2.591 605 F HA 0.598 5.125 4.527 0.000 0.000 0.309 605 F C -0.947 174.625 175.800 -0.380 0.000 1.098 605 F CA -1.101 56.700 58.000 -0.330 0.000 0.937 605 F CB 1.759 40.726 39.000 -0.056 0.000 1.250 605 F HN 0.471 nan 8.300 nan 0.000 0.447 606 Y N 0.995 121.528 120.300 0.390 0.000 2.598 606 Y HA 0.887 5.437 4.550 0.000 0.000 0.340 606 Y C -0.131 175.831 175.900 0.104 0.000 1.038 606 Y CA -1.560 56.665 58.100 0.208 0.000 1.100 606 Y CB 1.947 40.528 38.460 0.201 0.000 1.281 606 Y HN 0.716 nan 8.280 nan 0.000 0.488 607 A N 0.413 123.226 122.820 -0.012 0.000 2.605 607 A HA 0.762 5.082 4.320 0.000 0.000 0.294 607 A C -0.980 176.523 177.584 -0.135 0.000 1.062 607 A CA -0.536 51.470 52.037 -0.052 0.000 0.682 607 A CB 1.235 20.161 19.000 -0.122 0.000 1.278 607 A HN 0.843 nan 8.150 nan 0.000 0.410 608 T N -1.348 113.192 114.554 -0.024 0.000 2.893 608 T HA 0.808 5.158 4.350 0.000 0.000 0.291 608 T C -1.196 173.546 174.700 0.070 0.000 1.028 608 T CA -0.413 61.737 62.100 0.082 0.000 0.995 608 T CB 1.934 70.856 68.868 0.092 0.000 1.051 608 T HN 0.943 nan 8.240 nan 0.000 0.470 609 D N -0.507 119.992 120.400 0.166 0.000 2.751 609 D HA 0.465 5.105 4.640 0.000 0.000 0.236 609 D C 0.871 177.271 176.300 0.167 0.000 1.196 609 D CA 0.687 54.741 54.000 0.089 0.000 0.741 609 D CB 0.817 41.566 40.800 -0.085 0.000 1.474 609 D HN 1.174 nan 8.370 nan 0.000 0.452 610 G N 1.302 110.154 108.800 0.086 0.000 2.244 610 G HA2 0.056 4.016 3.960 0.000 0.000 0.274 610 G HA3 0.056 4.016 3.960 0.000 0.000 0.274 610 G C 1.173 176.117 174.900 0.072 0.000 1.002 610 G CA 1.436 46.583 45.100 0.078 0.000 0.740 610 G HN 1.766 nan 8.290 nan 0.000 0.516 611 G N -2.166 106.676 108.800 0.069 0.000 2.175 611 G HA2 -0.218 3.742 3.960 0.000 0.000 0.244 611 G HA3 -0.218 3.742 3.960 0.000 0.000 0.244 611 G C 0.411 175.318 174.900 0.012 0.000 0.982 611 G CA 1.057 46.174 45.100 0.029 0.000 0.641 611 G HN 0.838 nan 8.290 nan 0.000 0.527 612 K N -0.530 119.910 120.400 0.068 0.000 2.139 612 K HA 0.750 5.070 4.320 0.000 0.000 0.243 612 K C -0.738 175.894 176.600 0.052 0.000 0.983 612 K CA -1.034 55.238 56.287 -0.026 0.000 0.890 612 K CB 1.387 33.771 32.500 -0.193 0.000 1.090 612 K HN 0.091 nan 8.250 nan 0.000 0.445 613 F N 0.860 120.675 119.950 -0.225 0.000 2.425 613 F HA 0.475 5.002 4.527 0.000 0.000 0.331 613 F C -0.876 174.811 175.800 -0.188 0.000 1.085 613 F CA -0.616 57.347 58.000 -0.061 0.000 1.028 613 F CB 0.763 39.716 39.000 -0.079 0.000 1.177 613 F HN 0.312 nan 8.300 nan 0.000 0.487 614 F N 3.837 123.694 119.950 -0.156 0.000 2.565 614 F HA 0.680 5.207 4.527 0.000 0.000 0.313 614 F C -0.981 174.965 175.800 0.245 0.000 1.091 614 F CA -1.044 57.026 58.000 0.117 0.000 0.915 614 F CB 2.015 41.051 39.000 0.060 0.000 1.208 614 F HN 0.087 nan 8.300 nan 0.000 0.453 615 V N 1.386 121.634 119.914 0.557 0.000 2.735 615 V HA 0.680 4.800 4.120 0.000 0.000 0.310 615 V C -0.862 175.344 176.094 0.187 0.000 1.061 615 V CA -0.775 61.815 62.300 0.483 0.000 0.913 615 V CB 2.107 34.254 31.823 0.540 0.000 1.005 615 V HN 0.733 nan 8.190 nan 0.000 0.428 616 S N 1.437 117.120 115.700 -0.028 0.000 2.594 616 S HA 0.479 4.949 4.470 0.000 0.000 0.296 616 S C 0.282 174.820 174.600 -0.104 0.000 1.124 616 S CA -0.261 57.806 58.200 -0.221 0.000 1.011 616 S CB 1.949 64.775 63.200 -0.624 0.000 1.016 616 S HN 0.790 nan 8.310 nan 0.000 0.485 617 T N 2.920 117.431 114.554 -0.071 0.000 3.069 617 T HA 0.148 4.498 4.350 0.000 0.000 0.252 617 T C 0.782 175.441 174.700 -0.068 0.000 1.053 617 T CA -0.028 62.037 62.100 -0.058 0.000 0.964 617 T CB -0.054 68.785 68.868 -0.048 0.000 1.005 617 T HN 0.558 nan 8.240 nan 0.000 0.532 618 D N 1.405 121.749 120.400 -0.092 0.000 2.363 618 D HA 0.075 4.715 4.640 0.000 0.000 0.220 618 D C 1.660 177.943 176.300 -0.027 0.000 0.994 618 D CA 0.531 54.477 54.000 -0.090 0.000 0.890 618 D CB -0.197 40.499 40.800 -0.172 0.000 0.906 618 D HN 0.492 nan 8.370 nan 0.000 0.530 619 G N -0.091 108.726 108.800 0.028 0.000 2.221 619 G HA2 -0.204 3.756 3.960 0.000 0.000 0.265 619 G HA3 -0.204 3.756 3.960 0.000 0.000 0.265 619 G C 1.070 176.124 174.900 0.258 0.000 1.041 619 G CA 0.488 45.696 45.100 0.179 0.000 0.807 619 G HN 0.822 nan 8.290 nan 0.000 0.502 620 G N -1.200 107.610 108.800 0.017 0.000 2.175 620 G HA2 -0.293 3.667 3.960 0.000 0.000 0.244 620 G HA3 -0.293 3.667 3.960 0.000 0.000 0.244 620 G C 1.181 175.749 174.900 -0.554 0.000 0.982 620 G CA 1.228 46.177 45.100 -0.253 0.000 0.641 620 G HN 0.965 nan 8.290 nan 0.000 0.527 621 K N 0.310 120.283 120.400 -0.711 0.000 2.062 621 K HA 0.207 4.527 4.320 0.000 0.000 0.205 621 K C 1.358 177.722 176.600 -0.392 0.000 1.051 621 K CA 1.427 57.161 56.287 -0.923 0.000 0.941 621 K CB -0.029 32.113 32.500 -0.597 0.000 0.719 621 K HN 0.841 nan 8.250 nan 0.000 0.440 622 S N -0.635 114.897 115.700 -0.280 0.000 2.541 622 S HA 0.445 4.915 4.470 0.000 0.000 0.271 622 S C -1.416 173.086 174.600 -0.163 0.000 1.133 622 S CA -1.063 57.069 58.200 -0.113 0.000 0.876 622 S CB 0.899 64.065 63.200 -0.057 0.000 1.105 622 S HN 0.075 nan 8.310 nan 0.000 0.470 623 Y N 0.799 121.117 120.300 0.030 0.000 2.377 623 Y HA 0.738 5.288 4.550 0.000 0.000 0.339 623 Y C 0.408 176.408 175.900 0.167 0.000 1.011 623 Y CA -0.489 57.685 58.100 0.123 0.000 1.093 623 Y CB 2.216 40.768 38.460 0.154 0.000 1.201 623 Y HN 1.080 nan 8.280 nan 0.000 0.455 624 A N 2.037 125.043 122.820 0.310 0.000 2.318 624 A HA 0.781 5.101 4.320 0.000 0.000 0.317 624 A C -0.527 177.166 177.584 0.183 0.000 1.159 624 A CA -0.770 51.400 52.037 0.222 0.000 0.799 624 A CB 0.332 19.408 19.000 0.126 0.000 1.194 624 A HN 0.883 nan 8.150 nan 0.000 0.479 625 A N 3.117 125.940 122.820 0.005 0.000 2.522 625 A HA 0.445 4.765 4.320 0.000 0.000 0.256 625 A C 0.622 178.149 177.584 -0.094 0.000 1.086 625 A CA 0.599 52.431 52.037 -0.343 0.000 0.763 625 A CB -0.136 18.563 19.000 -0.502 0.000 1.024 625 A HN 0.907 nan 8.150 nan 0.000 0.502 626 K N 1.434 121.834 120.400 -0.000 0.000 2.328 626 K HA 0.679 4.999 4.320 0.000 0.000 0.305 626 K C 0.591 177.241 176.600 0.083 0.000 0.963 626 K CA -0.369 55.967 56.287 0.081 0.000 0.930 626 K CB 0.522 33.124 32.500 0.171 0.000 3.478 626 K HN 1.505 nan 8.250 nan 0.000 1.191 627 G N 1.325 110.210 108.800 0.142 0.000 2.417 627 G HA2 -0.129 3.831 3.960 0.000 0.000 0.291 627 G HA3 -0.129 3.831 3.960 0.000 0.000 0.291 627 G C -0.215 174.713 174.900 0.046 0.000 1.094 627 G CA 0.122 45.283 45.100 0.102 0.000 1.146 627 G HN 0.585 nan 8.290 nan 0.000 0.519 628 A N -0.141 122.726 122.820 0.078 0.000 2.440 628 A HA 0.790 5.110 4.320 0.000 0.000 0.251 628 A C 1.948 179.574 177.584 0.070 0.000 1.089 628 A CA 1.463 53.526 52.037 0.043 0.000 0.779 628 A CB 0.495 19.513 19.000 0.030 0.000 1.022 628 A HN 2.559 nan 8.150 nan 0.000 0.492 629 G N 0.528 109.349 108.800 0.036 0.000 2.205 629 G HA2 -0.182 3.778 3.960 0.000 0.000 0.261 629 G HA3 -0.182 3.778 3.960 0.000 0.000 0.261 629 G C 0.204 175.123 174.900 0.032 0.000 0.980 629 G CA 0.442 45.588 45.100 0.077 0.000 0.632 629 G HN 1.571 nan 8.290 nan 0.000 0.533 630 L N 2.618 123.743 121.223 -0.165 0.000 2.407 630 L HA 0.599 4.939 4.340 0.000 0.000 0.282 630 L C 0.954 177.490 176.870 -0.556 0.000 1.110 630 L CA -0.398 54.059 54.840 -0.638 0.000 0.863 630 L CB 0.928 42.532 42.059 -0.758 0.000 1.207 630 L HN 0.115 nan 8.230 nan 0.000 0.454 631 V N 4.688 124.192 119.914 -0.684 0.000 2.720 631 V HA -0.063 4.057 4.120 0.000 0.000 0.307 631 V C 0.926 176.870 176.094 -0.249 0.000 1.071 631 V CA 0.231 62.362 62.300 -0.281 0.000 1.199 631 V CB 0.321 32.118 31.823 -0.043 0.000 0.900 631 V HN 0.861 nan 8.190 nan 0.000 0.494 632 T N 4.843 119.325 114.554 -0.121 0.000 2.870 632 T HA 0.552 4.902 4.350 0.000 0.000 0.300 632 T C 0.529 175.201 174.700 -0.048 0.000 0.989 632 T CA 0.574 62.624 62.100 -0.083 0.000 1.139 632 T CB 1.006 69.847 68.868 -0.045 0.000 0.920 632 T HN 1.153 nan 8.240 nan 0.000 0.537 633 G N 1.869 110.647 108.800 -0.037 0.000 2.578 633 G HA2 0.471 4.431 3.960 0.000 0.000 0.302 633 G HA3 0.471 4.431 3.960 0.000 0.000 0.302 633 G C -0.824 174.085 174.900 0.014 0.000 1.243 633 G CA -0.802 44.297 45.100 -0.002 0.000 0.843 633 G HN 0.550 nan 8.290 nan 0.000 0.486 634 T N 1.706 116.279 114.554 0.031 0.000 2.853 634 T HA 0.410 4.760 4.350 0.000 0.000 0.298 634 T C 0.544 175.273 174.700 0.048 0.000 0.978 634 T CA 0.285 62.409 62.100 0.041 0.000 1.152 634 T CB 0.870 69.768 68.868 0.050 0.000 0.914 634 T HN 0.438 nan 8.240 nan 0.000 0.539 635 S N 4.123 119.853 115.700 0.050 0.000 2.443 635 S HA 0.258 4.728 4.470 0.000 0.000 0.284 635 S C 0.204 174.850 174.600 0.076 0.000 1.206 635 S CA -0.485 57.754 58.200 0.063 0.000 1.074 635 S CB -0.217 63.020 63.200 0.062 0.000 0.963 635 S HN 0.414 nan 8.310 nan 0.000 0.501 636 L N 2.634 123.915 121.223 0.098 0.000 2.313 636 L HA 0.564 4.904 4.340 0.000 0.000 0.268 636 L C 0.092 177.047 176.870 0.142 0.000 1.010 636 L CA -1.220 53.690 54.840 0.117 0.000 0.814 636 L CB 1.194 43.331 42.059 0.131 0.000 1.304 636 L HN 0.486 nan 8.230 nan 0.000 0.441 637 M N 3.058 122.747 119.600 0.147 0.000 2.268 637 M HA 0.227 4.707 4.480 0.000 0.000 0.349 637 M C -2.364 174.070 176.300 0.224 0.000 1.485 637 M CA -1.063 54.338 55.300 0.169 0.000 1.094 637 M CB 0.239 32.931 32.600 0.152 0.000 1.843 637 M HN 0.093 nan 8.290 nan 0.000 0.460 638 P HA 0.476 nan 4.420 nan 0.000 0.276 638 P C -1.746 175.759 177.300 0.341 0.000 1.252 638 P CA -0.565 62.749 63.100 0.357 0.000 0.802 638 P CB 0.907 32.869 31.700 0.436 0.000 1.035 639 A N 0.997 124.053 122.820 0.393 0.000 2.393 639 A HA 0.635 4.955 4.320 0.000 0.000 0.306 639 A C -0.507 177.317 177.584 0.400 0.000 1.050 639 A CA -0.670 51.578 52.037 0.350 0.000 0.724 639 A CB 1.124 20.304 19.000 0.300 0.000 1.248 639 A HN 0.399 nan 8.150 nan 0.000 0.424 640 V N 0.759 120.865 119.914 0.321 0.000 2.612 640 V HA 0.520 4.640 4.120 0.000 0.000 0.301 640 V C 0.109 176.352 176.094 0.248 0.000 1.046 640 V CA -0.943 61.529 62.300 0.287 0.000 0.946 640 V CB 1.345 33.328 31.823 0.267 0.000 1.003 640 V HN 0.920 nan 8.190 nan 0.000 0.459 641 N N 4.987 123.837 118.700 0.251 0.000 2.440 641 N HA 0.217 4.957 4.740 0.000 0.000 0.265 641 N C -1.434 174.128 175.510 0.087 0.000 1.239 641 N CA -1.030 52.146 53.050 0.211 0.000 0.909 641 N CB 1.100 39.723 38.487 0.227 0.000 1.066 641 N HN 0.632 nan 8.380 nan 0.000 0.474 642 P HA -0.093 nan 4.420 nan 0.000 0.223 642 P C -0.100 176.963 177.300 -0.395 0.000 1.151 642 P CA 1.221 64.147 63.100 -0.290 0.000 0.787 642 P CB 0.037 31.437 31.700 -0.500 0.000 0.788 643 W N -0.472 120.876 121.300 0.080 0.000 3.132 643 W HA 0.305 4.965 4.660 0.000 0.000 0.364 643 W C -0.273 176.270 176.519 0.039 0.000 1.129 643 W CA -0.229 57.148 57.345 0.054 0.000 1.815 643 W CB 0.822 30.317 29.460 0.059 0.000 1.099 643 W HN -0.386 nan 8.180 nan 0.000 0.605 644 V N 0.676 120.700 119.914 0.184 0.000 2.777 644 V HA 0.567 4.687 4.120 0.000 0.000 0.306 644 V C 0.184 176.278 176.094 0.000 0.000 1.112 644 V CA -1.591 60.770 62.300 0.102 0.000 0.917 644 V CB 0.929 32.812 31.823 0.099 0.000 1.018 644 V HN -0.062 nan 8.190 nan 0.000 0.426 645 A N 2.708 125.498 122.820 -0.049 0.000 2.483 645 A HA 0.532 4.852 4.320 0.000 0.000 0.238 645 A C 1.560 178.800 177.584 -0.572 0.000 1.070 645 A CA 0.756 52.669 52.037 -0.207 0.000 0.770 645 A CB -0.220 18.744 19.000 -0.060 0.000 1.008 645 A HN 2.485 nan 8.150 nan 0.000 0.497 646 G N 1.178 109.416 108.800 -0.936 0.000 2.269 646 G HA2 -0.251 3.709 3.960 0.000 0.000 0.277 646 G HA3 -0.251 3.709 3.960 0.000 0.000 0.277 646 G C 0.085 174.651 174.900 -0.557 0.000 1.008 646 G CA 0.861 45.268 45.100 -1.154 0.000 0.774 646 G HN 1.101 nan 8.290 nan 0.000 0.511 647 D N -0.034 120.186 120.400 -0.299 0.000 2.428 647 D HA 0.500 5.141 4.640 0.000 0.000 0.221 647 D C -0.248 176.026 176.300 -0.043 0.000 1.123 647 D CA -0.199 53.711 54.000 -0.149 0.000 0.869 647 D CB 1.074 41.890 40.800 0.026 0.000 1.032 647 D HN 0.415 nan 8.370 nan 0.000 0.506 648 V N 5.063 124.872 119.914 -0.176 0.000 2.686 648 V HA 0.651 4.771 4.120 0.000 0.000 0.306 648 V C -1.644 174.492 176.094 0.070 0.000 1.065 648 V CA -0.706 61.582 62.300 -0.020 0.000 0.894 648 V CB 1.346 33.039 31.823 -0.216 0.000 1.004 648 V HN 0.411 nan 8.190 nan 0.000 0.424 649 W N 4.175 125.655 121.300 0.300 0.000 2.570 649 W HA 0.798 5.458 4.660 0.000 0.000 0.337 649 W C -0.586 176.162 176.519 0.383 0.000 1.067 649 W CA -0.691 56.870 57.345 0.361 0.000 1.229 649 W CB 2.140 31.744 29.460 0.239 0.000 1.355 649 W HN 0.452 nan 8.180 nan 0.000 0.555 650 V N 4.189 124.474 119.914 0.619 0.000 2.532 650 V HA 0.329 4.449 4.120 0.000 0.000 0.294 650 V C -2.305 174.023 176.094 0.391 0.000 1.036 650 V CA -2.073 60.471 62.300 0.407 0.000 0.876 650 V CB 1.963 33.872 31.823 0.144 0.000 1.012 650 V HN 0.273 nan 8.190 nan 0.000 0.432 651 P HA 0.325 nan 4.420 nan 0.000 0.287 651 P C -0.813 176.617 177.300 0.216 0.000 1.294 651 P CA -0.193 63.072 63.100 0.275 0.000 0.776 651 P CB 1.555 33.387 31.700 0.220 0.000 0.889 652 V N 7.478 127.538 119.914 0.244 0.000 2.326 652 V HA 0.198 4.319 4.120 0.000 0.000 0.281 652 V C -1.519 174.671 176.094 0.160 0.000 1.015 652 V CA -1.670 60.727 62.300 0.162 0.000 0.823 652 V CB 1.659 33.534 31.823 0.087 0.000 1.009 652 V HN 0.351 nan 8.190 nan 0.000 0.436 653 P HA -0.074 nan 4.420 nan 0.000 0.221 653 P C 0.877 178.229 177.300 0.087 0.000 1.145 653 P CA 0.954 64.111 63.100 0.095 0.000 0.795 653 P CB 0.442 32.191 31.700 0.081 0.000 0.775 654 E N -1.918 118.336 120.200 0.090 0.000 2.472 654 E HA 0.166 4.517 4.350 0.000 0.000 0.196 654 E C 1.826 178.493 176.600 0.111 0.000 1.033 654 E CA 0.554 57.002 56.400 0.080 0.000 0.886 654 E CB -0.398 29.337 29.700 0.057 0.000 0.944 654 E HN 0.220 nan 8.360 nan 0.000 0.492 655 G N -0.669 108.239 108.800 0.179 0.000 2.707 655 G HA2 0.499 4.459 3.960 0.000 0.000 0.198 655 G HA3 0.499 4.459 3.960 0.000 0.000 0.198 655 G C 0.689 175.766 174.900 0.295 0.000 1.065 655 G CA 0.156 45.433 45.100 0.295 0.000 0.763 655 G HN 0.454 nan 8.290 nan 0.000 0.625 656 G N -0.699 108.266 108.800 0.274 0.000 2.331 656 G HA2 0.263 4.223 3.960 0.000 0.000 0.479 656 G HA3 0.263 4.223 3.960 0.000 0.000 0.479 656 G C -1.551 173.465 174.900 0.194 0.000 1.262 656 G CA -0.334 44.839 45.100 0.121 0.000 1.029 656 G HN 0.871 nan 8.290 nan 0.000 0.487 657 L N 0.020 121.283 121.223 0.067 0.000 2.292 657 L HA 0.866 5.206 4.340 0.000 0.000 0.284 657 L C -0.886 176.068 176.870 0.139 0.000 1.065 657 L CA -0.662 54.319 54.840 0.234 0.000 0.806 657 L CB 0.566 42.790 42.059 0.275 0.000 1.175 657 L HN 0.451 nan 8.230 nan 0.000 0.431 658 F N 3.877 124.036 119.950 0.348 0.000 2.520 658 F HA 0.449 4.976 4.527 0.000 0.000 0.322 658 F C -0.448 175.578 175.800 0.376 0.000 1.103 658 F CA -0.524 57.667 58.000 0.319 0.000 0.926 658 F CB 1.465 40.582 39.000 0.196 0.000 1.154 658 F HN 0.492 nan 8.300 nan 0.000 0.453 659 H N 1.215 120.354 119.070 0.115 0.000 2.689 659 H HA 0.536 5.092 4.556 0.000 0.000 0.346 659 H C -1.179 173.801 175.328 -0.581 0.000 1.037 659 H CA -0.848 54.856 56.048 -0.574 0.000 1.234 659 H CB 1.841 30.921 29.762 -1.136 0.000 1.572 659 H HN 0.499 nan 8.280 nan 0.000 0.524 660 S N 2.561 117.614 115.700 -1.078 0.000 2.503 660 S HA 0.384 4.854 4.470 0.000 0.000 0.301 660 S C 0.445 174.453 174.600 -0.987 0.000 1.087 660 S CA 0.008 57.460 58.200 -1.246 0.000 1.042 660 S CB 0.905 62.921 63.200 -1.975 0.000 1.043 660 S HN 0.754 nan 8.310 nan 0.000 0.489 661 T N -0.107 114.014 114.554 -0.723 0.000 3.054 661 T HA 0.222 4.572 4.350 0.000 0.000 0.255 661 T C -0.072 174.473 174.700 -0.257 0.000 1.035 661 T CA 0.129 61.942 62.100 -0.479 0.000 0.941 661 T CB -0.503 68.139 68.868 -0.377 0.000 1.026 661 T HN 0.698 nan 8.240 nan 0.000 0.533 662 D N 0.382 120.651 120.400 -0.218 0.000 2.892 662 D HA 0.343 4.983 4.640 0.000 0.000 0.291 662 D C -0.263 176.212 176.300 0.292 0.000 1.341 662 D CA -1.102 52.948 54.000 0.083 0.000 0.844 662 D CB -0.845 39.939 40.800 -0.026 0.000 1.093 662 D HN 0.113 nan 8.370 nan 0.000 0.480 663 F N 0.498 120.364 119.950 -0.140 0.000 3.018 663 F HA -0.098 4.429 4.527 0.000 0.000 0.287 663 F C 1.724 177.534 175.800 0.017 0.000 0.813 663 F CA 0.685 58.702 58.000 0.027 0.000 1.209 663 F CB -1.771 37.326 39.000 0.162 0.000 1.321 663 F HN 0.532 nan 8.300 nan 0.000 0.477 664 G N -1.402 107.279 108.800 -0.197 0.000 2.143 664 G HA2 -0.011 3.949 3.960 0.000 0.000 0.249 664 G HA3 -0.011 3.949 3.960 0.000 0.000 0.249 664 G C 1.095 175.963 174.900 -0.053 0.000 0.981 664 G CA 0.757 45.654 45.100 -0.337 0.000 0.665 664 G HN 1.445 nan 8.290 nan 0.000 0.528 665 A N -0.324 122.479 122.820 -0.028 0.000 1.854 665 A HA 0.534 4.854 4.320 0.000 0.000 0.214 665 A C 1.715 179.290 177.584 -0.016 0.000 1.192 665 A CA 2.346 54.399 52.037 0.027 0.000 0.611 665 A CB -0.173 18.842 19.000 0.024 0.000 0.832 665 A HN 2.044 nan 8.150 nan 0.000 0.442 666 S N -1.563 114.054 115.700 -0.138 0.000 2.500 666 S HA 0.707 5.177 4.470 0.000 0.000 0.301 666 S C -1.141 173.296 174.600 -0.271 0.000 1.092 666 S CA -0.638 57.500 58.200 -0.103 0.000 1.030 666 S CB 0.886 64.030 63.200 -0.093 0.000 1.031 666 S HN 0.162 nan 8.310 nan 0.000 0.483 667 F N 1.608 121.484 119.950 -0.123 0.000 2.520 667 F HA 0.596 5.123 4.527 0.000 0.000 0.322 667 F C 0.614 176.448 175.800 0.056 0.000 1.103 667 F CA -0.453 57.503 58.000 -0.074 0.000 0.926 667 F CB 2.599 41.558 39.000 -0.068 0.000 1.154 667 F HN 0.672 nan 8.300 nan 0.000 0.453 668 T N 3.131 117.796 114.554 0.184 0.000 2.841 668 T HA 0.404 4.754 4.350 0.000 0.000 0.283 668 T C -0.621 174.119 174.700 0.067 0.000 1.000 668 T CA -0.786 61.396 62.100 0.136 0.000 0.977 668 T CB 0.965 69.830 68.868 -0.004 0.000 0.979 668 T HN 0.732 nan 8.240 nan 0.000 0.446 669 R N 3.361 123.768 120.500 -0.155 0.000 2.401 669 R HA 0.489 4.829 4.340 0.000 0.000 0.299 669 R C -0.185 175.980 176.300 -0.224 0.000 1.064 669 R CA -0.368 55.356 56.100 -0.627 0.000 1.000 669 R CB 0.111 29.985 30.300 -0.711 0.000 0.973 669 R HN 0.587 nan 8.270 nan 0.000 0.438 670 V N 2.813 122.656 119.914 -0.117 0.000 2.581 670 V HA 0.847 4.967 4.120 0.000 0.000 0.303 670 V C 0.745 176.895 176.094 0.093 0.000 1.041 670 V CA 0.027 62.361 62.300 0.056 0.000 0.907 670 V CB 0.924 32.870 31.823 0.206 0.000 0.994 670 V HN 1.109 nan 8.190 nan 0.000 0.442 671 G N 3.216 112.072 108.800 0.094 0.000 2.578 671 G HA2 -0.249 3.711 3.960 0.000 0.000 0.275 671 G HA3 -0.249 3.711 3.960 0.000 0.000 0.275 671 G C 0.617 175.566 174.900 0.081 0.000 1.271 671 G CA 0.752 45.930 45.100 0.129 0.000 0.941 671 G HN 2.105 nan 8.290 nan 0.000 0.564 672 T N -0.230 114.386 114.554 0.104 0.000 3.170 672 T HA 0.650 5.000 4.350 0.000 0.000 0.288 672 T C 0.725 175.388 174.700 -0.062 0.000 0.992 672 T CA 1.384 63.494 62.100 0.018 0.000 0.909 672 T CB -0.693 68.189 68.868 0.023 0.000 1.133 672 T HN 1.847 nan 8.240 nan 0.000 0.530 673 A N 1.678 124.457 122.820 -0.069 0.000 2.331 673 A HA 0.602 4.923 4.320 0.000 0.000 0.283 673 A C -0.086 177.383 177.584 -0.190 0.000 1.142 673 A CA -0.580 51.287 52.037 -0.283 0.000 0.812 673 A CB 0.195 18.929 19.000 -0.443 0.000 1.074 673 A HN 0.620 nan 8.150 nan 0.000 0.497 674 N N 1.222 119.780 118.700 -0.236 0.000 2.518 674 N HA 0.548 5.288 4.740 0.000 0.000 0.254 674 N C -0.726 174.703 175.510 -0.135 0.000 0.979 674 N CA -0.220 52.755 53.050 -0.124 0.000 0.930 674 N CB 1.046 39.479 38.487 -0.089 0.000 1.152 674 N HN 0.794 nan 8.380 nan 0.000 0.505 675 A N 1.789 124.577 122.820 -0.053 0.000 2.365 675 A HA 0.430 4.750 4.320 0.000 0.000 0.318 675 A C 0.820 178.461 177.584 0.095 0.000 1.091 675 A CA -0.529 51.503 52.037 -0.009 0.000 0.763 675 A CB 1.189 20.178 19.000 -0.019 0.000 1.248 675 A HN 0.685 nan 8.150 nan 0.000 0.442 676 T N -0.572 114.079 114.554 0.160 0.000 3.014 676 T HA 0.452 4.802 4.350 0.000 0.000 0.250 676 T C 0.243 175.066 174.700 0.204 0.000 1.060 676 T CA 0.400 62.616 62.100 0.194 0.000 1.040 676 T CB -0.482 68.527 68.868 0.235 0.000 0.971 676 T HN 0.408 nan 8.240 nan 0.000 0.497 677 L N 0.674 122.038 121.223 0.234 0.000 2.434 677 L HA 0.849 5.189 4.340 0.000 0.000 0.260 677 L C -1.462 175.531 176.870 0.206 0.000 0.983 677 L CA -1.304 53.666 54.840 0.216 0.000 0.820 677 L CB 2.853 45.042 42.059 0.217 0.000 1.361 677 L HN -0.046 nan 8.230 nan 0.000 0.410 678 V N 0.745 120.775 119.914 0.193 0.000 3.012 678 V HA 0.835 4.955 4.120 0.000 0.000 0.307 678 V C -1.390 174.811 176.094 0.178 0.000 1.166 678 V CA 0.024 62.425 62.300 0.169 0.000 0.974 678 V CB 2.472 34.383 31.823 0.146 0.000 1.040 678 V HN 0.809 nan 8.190 nan 0.000 0.428 679 S N 3.483 119.291 115.700 0.180 0.000 2.537 679 S HA 0.813 5.283 4.470 0.000 0.000 0.270 679 S C -1.665 173.070 174.600 0.225 0.000 1.142 679 S CA -0.398 57.918 58.200 0.194 0.000 0.870 679 S CB 1.923 65.232 63.200 0.181 0.000 1.112 679 S HN 0.952 nan 8.310 nan 0.000 0.466 680 V N 3.484 123.522 119.914 0.206 0.000 2.448 680 V HA 0.811 4.931 4.120 0.000 0.000 0.295 680 V C 0.994 177.251 176.094 0.272 0.000 1.025 680 V CA 0.000 62.433 62.300 0.221 0.000 0.859 680 V CB 1.077 33.015 31.823 0.192 0.000 0.988 680 V HN 1.003 nan 8.190 nan 0.000 0.431 681 G N 2.359 111.384 108.800 0.375 0.000 3.175 681 G HA2 0.742 4.702 3.960 0.000 0.000 0.153 681 G HA3 0.742 4.702 3.960 0.000 0.000 0.153 681 G C -0.170 174.995 174.900 0.441 0.000 1.216 681 G CA -0.166 45.161 45.100 0.378 0.000 0.943 681 G HN 1.007 nan 8.290 nan 0.000 0.611 682 A N 0.562 123.658 122.820 0.460 0.000 2.371 682 A HA 0.671 4.991 4.320 0.000 0.000 0.257 682 A C -2.268 175.536 177.584 0.367 0.000 1.089 682 A CA -0.852 51.453 52.037 0.445 0.000 0.794 682 A CB 0.194 19.421 19.000 0.378 0.000 1.029 682 A HN 0.353 nan 8.150 nan 0.000 0.488 683 P HA 0.163 nan 4.420 nan 0.000 0.276 683 P C -0.353 176.889 177.300 -0.097 0.000 1.244 683 P CA -0.686 62.452 63.100 0.062 0.000 0.801 683 P CB 0.477 32.159 31.700 -0.030 0.000 1.006 684 K N 1.221 121.362 120.400 -0.432 0.000 2.550 684 K HA 0.093 4.413 4.320 0.000 0.000 0.280 684 K C 0.146 176.511 176.600 -0.391 0.000 0.987 684 K CA 0.998 56.775 56.287 -0.850 0.000 1.048 684 K CB 0.015 32.073 32.500 -0.736 0.000 0.879 684 K HN 0.398 nan 8.250 nan 0.000 0.491 694 A N 1.974 124.744 122.820 -0.084 0.000 2.454 694 A HA 0.847 5.167 4.320 0.000 0.000 0.302 694 A C -2.409 175.155 177.584 -0.033 0.000 1.079 694 A CA -1.497 50.495 52.037 -0.075 0.000 0.731 694 A CB 0.811 19.736 19.000 -0.126 0.000 1.299 694 A HN 0.154 nan 8.150 nan 0.000 0.413 695 P HA 0.057 nan 4.420 nan 0.000 0.245 695 P C 0.006 177.356 177.300 0.083 0.000 1.212 695 P CA 1.194 64.318 63.100 0.040 0.000 0.774 695 P CB -0.058 31.667 31.700 0.042 0.000 0.999 696 S N -1.280 114.465 115.700 0.074 0.000 2.862 696 S HA 0.026 4.496 4.470 0.000 0.000 0.843 696 S C -0.003 174.672 174.600 0.125 0.000 0.808 696 S CA -0.436 57.855 58.200 0.152 0.000 1.515 696 S CB -1.972 61.374 63.200 0.243 0.000 1.082 696 S HN 0.529 nan 8.310 nan 0.000 0.447 697 A N 4.487 127.390 122.820 0.138 0.000 2.587 697 A HA 0.495 4.815 4.320 0.000 0.000 0.235 697 A C 0.623 178.121 177.584 -0.143 0.000 1.044 697 A CA 0.570 52.581 52.037 -0.044 0.000 0.754 697 A CB 0.219 19.189 19.000 -0.050 0.000 0.968 697 A HN 1.864 nan 8.150 nan 0.000 0.509 698 V N 3.281 122.983 119.914 -0.353 0.000 2.448 698 V HA 0.465 4.585 4.120 0.000 0.000 0.295 698 V C -0.728 175.202 176.094 -0.274 0.000 1.025 698 V CA -0.189 61.916 62.300 -0.325 0.000 0.859 698 V CB 0.984 32.439 31.823 -0.613 0.000 0.988 698 V HN 0.670 nan 8.190 nan 0.000 0.431 699 F N 5.535 125.522 119.950 0.063 0.000 2.427 699 F HA 0.715 5.242 4.527 0.000 0.000 0.346 699 F C 0.256 176.138 175.800 0.136 0.000 1.120 699 F CA -0.672 57.422 58.000 0.157 0.000 1.033 699 F CB 1.587 40.654 39.000 0.112 0.000 1.126 699 F HN 0.431 nan 8.300 nan 0.000 0.462 700 I N -0.051 120.699 120.570 0.300 0.000 2.693 700 I HA 0.496 4.667 4.170 0.000 0.000 0.303 700 I C -1.405 174.864 176.117 0.253 0.000 1.025 700 I CA -0.858 60.528 61.300 0.143 0.000 1.086 700 I CB 2.418 40.289 38.000 -0.214 0.000 1.268 700 I HN 0.659 nan 8.210 nan 0.000 0.440 701 W N 6.610 127.960 121.300 0.084 0.000 2.349 701 W HA 0.642 5.302 4.660 0.000 0.000 0.309 701 W C -0.105 176.448 176.519 0.057 0.000 1.083 701 W CA 0.529 57.928 57.345 0.090 0.000 1.224 701 W CB 1.399 30.908 29.460 0.082 0.000 1.256 701 W HN 1.055 nan 8.180 nan 0.000 0.461 702 G N 2.905 111.377 108.800 -0.546 0.000 2.384 702 G HA2 0.086 4.046 3.960 0.000 0.000 0.113 702 G HA3 0.086 4.046 3.960 0.000 0.000 0.113 702 G C -0.868 173.852 174.900 -0.300 0.000 1.224 702 G CA -0.022 44.851 45.100 -0.379 0.000 1.126 702 G HN 0.645 nan 8.290 nan 0.000 0.461 703 T N -1.126 113.227 114.554 -0.336 0.000 2.861 703 T HA 0.555 4.905 4.350 0.000 0.000 0.287 703 T C 0.635 174.882 174.700 -0.755 0.000 1.003 703 T CA 0.615 62.460 62.100 -0.424 0.000 0.977 703 T CB 2.152 70.876 68.868 -0.241 0.000 0.996 703 T HN 0.780 nan 8.240 nan 0.000 0.448 704 D N 1.967 121.686 120.400 -1.134 0.000 2.269 704 D HA -0.028 4.612 4.640 0.000 0.000 0.208 704 D C 0.568 176.576 176.300 -0.486 0.000 0.963 704 D CA 0.769 54.126 54.000 -1.072 0.000 0.864 704 D CB 0.177 40.362 40.800 -1.025 0.000 0.936 704 D HN 0.869 nan 8.370 nan 0.000 0.505 705 K N -0.954 119.250 120.400 -0.325 0.000 2.607 705 K HA 0.386 4.706 4.320 0.000 0.000 0.287 705 K C -3.326 173.197 176.600 -0.128 0.000 0.996 705 K CA -1.654 54.535 56.287 -0.163 0.000 0.876 705 K CB 1.160 33.608 32.500 -0.087 0.000 1.496 705 K HN -0.289 nan 8.250 nan 0.000 0.415 706 P HA 0.007 nan 4.420 nan 0.000 0.265 706 P C 0.624 177.898 177.300 -0.043 0.000 1.193 706 P CA 1.442 64.509 63.100 -0.055 0.000 0.765 706 P CB 0.474 32.154 31.700 -0.034 0.000 0.823 707 G N 1.714 110.492 108.800 -0.036 0.000 2.217 707 G HA2 -0.228 3.732 3.960 0.000 0.000 0.246 707 G HA3 -0.228 3.732 3.960 0.000 0.000 0.246 707 G C 0.461 175.348 174.900 -0.022 0.000 0.990 707 G CA 0.035 45.121 45.100 -0.023 0.000 0.627 707 G HN 0.635 nan 8.290 nan 0.000 0.522 708 S N 1.109 116.786 115.700 -0.039 0.000 2.580 708 S HA 0.458 4.928 4.470 0.000 0.000 0.274 708 S C 0.159 174.752 174.600 -0.012 0.000 1.329 708 S CA -0.337 57.851 58.200 -0.020 0.000 1.036 708 S CB 0.797 63.961 63.200 -0.059 0.000 0.919 708 S HN 0.365 nan 8.310 nan 0.000 0.515 709 D N 1.455 121.867 120.400 0.019 0.000 2.443 709 D HA 0.147 4.787 4.640 0.000 0.000 0.239 709 D C 0.105 176.384 176.300 -0.035 0.000 1.136 709 D CA 0.272 54.269 54.000 -0.006 0.000 0.879 709 D CB 0.290 41.084 40.800 -0.009 0.000 1.195 709 D HN 0.302 nan 8.370 nan 0.000 0.443 710 I N 1.569 122.081 120.570 -0.096 0.000 2.618 710 I HA 0.362 4.532 4.170 0.000 0.000 0.284 710 I C 1.304 177.139 176.117 -0.470 0.000 1.146 710 I CA 0.899 62.056 61.300 -0.238 0.000 1.425 710 I CB 0.456 38.372 38.000 -0.139 0.000 1.383 710 I HN 0.424 nan 8.210 nan 0.000 0.562 711 G N 5.395 113.683 108.800 -0.853 0.000 2.490 711 G HA2 0.442 4.402 3.960 0.000 0.000 0.308 711 G HA3 0.442 4.402 3.960 0.000 0.000 0.308 711 G C -2.075 172.168 174.900 -1.094 0.000 1.286 711 G CA -0.825 43.596 45.100 -1.131 0.000 0.825 711 G HN 0.382 nan 8.290 nan 0.000 0.479 712 L N 0.468 121.336 121.223 -0.591 0.000 2.282 712 L HA 0.833 5.173 4.340 0.000 0.000 0.288 712 L C -1.424 175.259 176.870 -0.313 0.000 1.033 712 L CA -0.935 53.853 54.840 -0.086 0.000 0.807 712 L CB 0.620 42.828 42.059 0.249 0.000 1.209 712 L HN 0.522 nan 8.230 nan 0.000 0.423 713 Y N 3.963 124.304 120.300 0.068 0.000 2.545 713 Y HA 0.630 5.180 4.550 0.000 0.000 0.348 713 Y C -0.198 175.855 175.900 0.255 0.000 1.002 713 Y CA -0.913 57.265 58.100 0.130 0.000 1.039 713 Y CB 1.739 40.218 38.460 0.033 0.000 1.271 713 Y HN 0.436 nan 8.280 nan 0.000 0.467 714 R N 1.330 122.047 120.500 0.362 0.000 2.562 714 R HA 0.604 4.944 4.340 0.000 0.000 0.298 714 R C -1.288 174.995 176.300 -0.029 0.000 0.961 714 R CA -0.396 55.675 56.100 -0.049 0.000 0.881 714 R CB 1.929 32.097 30.300 -0.219 0.000 1.159 714 R HN 0.718 nan 8.270 nan 0.000 0.450 715 S N 2.097 117.571 115.700 -0.377 0.000 2.478 715 S HA 0.259 4.729 4.470 0.000 0.000 0.312 715 S C -0.372 173.975 174.600 -0.423 0.000 1.094 715 S CA -0.652 57.138 58.200 -0.684 0.000 1.081 715 S CB 1.065 63.340 63.200 -1.543 0.000 1.007 715 S HN 0.621 nan 8.310 nan 0.000 0.475 716 D N 3.118 123.350 120.400 -0.280 0.000 2.427 716 D HA 0.133 4.773 4.640 0.000 0.000 0.224 716 D C -0.484 175.727 176.300 -0.149 0.000 1.157 716 D CA 0.206 54.119 54.000 -0.145 0.000 0.828 716 D CB 0.398 41.167 40.800 -0.053 0.000 0.974 716 D HN 0.735 nan 8.370 nan 0.000 0.498 717 D N -1.353 118.915 120.400 -0.219 0.000 3.078 717 D HA 0.055 4.695 4.640 0.000 0.000 0.363 717 D C -0.271 175.954 176.300 -0.124 0.000 1.391 717 D CA -0.650 53.261 54.000 -0.148 0.000 0.754 717 D CB -1.157 39.557 40.800 -0.142 0.000 1.238 717 D HN -0.178 nan 8.370 nan 0.000 0.500 718 N N 0.395 119.045 118.700 -0.084 0.000 2.696 718 N HA -0.196 4.544 4.740 0.000 0.000 0.249 718 N C 0.985 176.574 175.510 0.131 0.000 1.090 718 N CA 0.836 53.947 53.050 0.102 0.000 0.716 718 N CB -0.774 37.836 38.487 0.205 0.000 1.020 718 N HN 0.745 nan 8.380 nan 0.000 0.548 719 G N -2.987 105.663 108.800 -0.251 0.000 2.168 719 G HA2 -0.234 3.726 3.960 0.000 0.000 0.197 719 G HA3 -0.234 3.726 3.960 0.000 0.000 0.197 719 G C 0.691 175.474 174.900 -0.196 0.000 0.997 719 G CA 0.250 45.182 45.100 -0.279 0.000 0.658 719 G HN 0.389 nan 8.290 nan 0.000 0.513 720 S N -0.308 115.236 115.700 -0.259 0.000 2.441 720 S HA 0.235 4.705 4.470 0.000 0.000 0.224 720 S C 1.037 175.523 174.600 -0.190 0.000 1.043 720 S CA 1.343 59.468 58.200 -0.126 0.000 0.948 720 S CB 0.402 63.558 63.200 -0.074 0.000 0.810 720 S HN 0.638 nan 8.310 nan 0.000 0.504 721 T N 1.382 115.698 114.554 -0.398 0.000 2.885 721 T HA 0.570 4.920 4.350 0.000 0.000 0.285 721 T C -1.394 172.961 174.700 -0.574 0.000 1.019 721 T CA -0.533 61.388 62.100 -0.299 0.000 1.010 721 T CB 1.140 69.905 68.868 -0.171 0.000 1.022 721 T HN 0.308 nan 8.240 nan 0.000 0.466 722 W N 0.810 122.090 121.300 -0.033 0.000 2.957 722 W HA 0.541 5.201 4.660 0.000 0.000 0.336 722 W C -0.067 176.507 176.519 0.092 0.000 1.087 722 W CA -0.809 56.532 57.345 -0.006 0.000 1.235 722 W CB 1.681 31.075 29.460 -0.110 0.000 1.399 722 W HN 0.644 nan 8.180 nan 0.000 0.480 723 T N 2.149 116.909 114.554 0.342 0.000 2.824 723 T HA 0.541 4.891 4.350 0.000 0.000 0.280 723 T C -0.355 174.544 174.700 0.333 0.000 0.995 723 T CA -0.749 61.527 62.100 0.292 0.000 1.009 723 T CB 0.829 69.806 68.868 0.182 0.000 0.955 723 T HN 0.467 nan 8.240 nan 0.000 0.452 724 R N 3.692 124.324 120.500 0.220 0.000 2.389 724 R HA 0.406 4.747 4.340 0.000 0.000 0.295 724 R C 0.713 176.987 176.300 -0.043 0.000 1.075 724 R CA -0.095 55.946 56.100 -0.098 0.000 1.005 724 R CB 0.308 30.490 30.300 -0.196 0.000 0.987 724 R HN 0.591 nan 8.270 nan 0.000 0.452 725 V N 3.718 123.543 119.914 -0.148 0.000 2.575 725 V HA -0.036 4.084 4.120 0.000 0.000 0.242 725 V C 0.999 177.056 176.094 -0.062 0.000 1.045 725 V CA 1.258 63.410 62.300 -0.247 0.000 1.065 725 V CB -0.762 30.848 31.823 -0.354 0.000 0.717 725 V HN 0.911 nan 8.190 nan 0.000 0.467 726 N N 1.564 120.262 118.700 -0.003 0.000 2.620 726 N HA 0.319 5.060 4.740 0.000 0.000 0.307 726 N C -0.904 174.561 175.510 -0.075 0.000 1.316 726 N CA 0.085 53.154 53.050 0.032 0.000 0.931 726 N CB 1.134 39.648 38.487 0.045 0.000 1.116 726 N HN 0.437 nan 8.380 nan 0.000 0.573 727 D N -4.245 116.112 120.400 -0.072 0.000 2.738 727 D HA 0.044 4.684 4.640 0.000 0.000 0.308 727 D C 0.388 176.695 176.300 0.011 0.000 1.311 727 D CA -0.607 53.378 54.000 -0.025 0.000 0.799 727 D CB 0.539 41.346 40.800 0.011 0.000 1.332 727 D HN 0.390 nan 8.370 nan 0.000 0.441 728 Q N -0.863 118.948 119.800 0.018 0.000 2.268 728 Q HA -0.214 4.127 4.340 0.000 0.000 0.210 728 Q C 0.338 176.353 176.000 0.025 0.000 0.988 728 Q CA 1.800 57.619 55.803 0.026 0.000 0.883 728 Q CB 0.089 28.838 28.738 0.019 0.000 0.911 728 Q HN 0.517 nan 8.270 nan 0.000 0.430 729 E N -1.345 118.859 120.200 0.007 0.000 2.474 729 E HA 0.059 4.409 4.350 0.000 0.000 0.195 729 E C -0.344 175.940 176.600 -0.527 0.000 1.039 729 E CA 0.173 56.496 56.400 -0.128 0.000 0.881 729 E CB 0.498 30.137 29.700 -0.103 0.000 0.970 729 E HN 0.301 nan 8.360 nan 0.000 0.486 730 H N 0.142 118.976 119.070 -0.393 0.000 2.355 730 H HA 0.322 4.878 4.556 0.000 0.000 0.232 730 H C 0.068 175.077 175.328 -0.531 0.000 1.422 730 H CA -0.178 55.437 56.048 -0.720 0.000 1.261 730 H CB 0.479 29.710 29.762 -0.886 0.000 1.595 730 H HN 0.048 nan 8.280 nan 0.000 0.529 731 N N 0.396 118.798 118.700 -0.497 0.000 2.510 731 N HA -0.064 4.676 4.740 0.000 0.000 0.186 731 N C 0.019 175.495 175.510 -0.057 0.000 1.051 731 N CA 0.237 53.230 53.050 -0.095 0.000 0.877 731 N CB 0.694 39.196 38.487 0.024 0.000 1.183 731 N HN 0.379 nan 8.380 nan 0.000 0.443 732 Y N 1.006 121.252 120.300 -0.090 0.000 4.409 732 Y HA -0.305 4.245 4.550 0.000 0.000 0.228 732 Y C 0.876 176.714 175.900 -0.105 0.000 1.108 732 Y CA 0.684 58.718 58.100 -0.110 0.000 1.955 732 Y CB -2.687 35.726 38.460 -0.078 0.000 1.615 732 Y HN 0.263 nan 8.280 nan 0.000 0.665 733 S N -2.576 113.112 115.700 -0.019 0.000 3.490 733 S HA -0.006 4.464 4.470 0.000 0.000 0.301 733 S C 0.899 175.478 174.600 -0.035 0.000 1.233 733 S CA 0.947 59.140 58.200 -0.012 0.000 0.914 733 S CB -1.883 61.299 63.200 -0.029 0.000 1.047 733 S HN 2.534 nan 8.310 nan 0.000 0.602 734 G N 0.426 109.175 108.800 -0.086 0.000 2.722 734 G HA2 0.122 4.082 3.960 0.000 0.000 0.686 734 G HA3 0.122 4.082 3.960 0.000 0.000 0.686 734 G C -1.986 172.680 174.900 -0.390 0.000 1.282 734 G CA -0.333 44.548 45.100 -0.365 0.000 0.817 734 G HN 0.895 nan 8.290 nan 0.000 0.605 735 P HA 0.231 nan 4.420 nan 0.000 0.275 735 P C 1.098 178.217 177.300 -0.302 0.000 1.228 735 P CA 0.467 63.330 63.100 -0.396 0.000 0.786 735 P CB 1.156 32.607 31.700 -0.416 0.000 0.927 736 T N -1.134 113.330 114.554 -0.149 0.000 3.035 736 T HA 0.162 4.513 4.350 0.000 0.000 0.259 736 T C 1.040 175.713 174.700 -0.045 0.000 1.078 736 T CA 0.432 62.485 62.100 -0.079 0.000 1.132 736 T CB -0.153 68.696 68.868 -0.032 0.000 0.900 736 T HN 0.551 nan 8.240 nan 0.000 0.480 737 M N 1.046 120.621 119.600 -0.041 0.000 2.603 737 M HA 0.630 5.111 4.480 0.000 0.000 0.275 737 M C -2.166 174.142 176.300 0.013 0.000 1.226 737 M CA -1.526 53.779 55.300 0.008 0.000 0.870 737 M CB 1.943 34.567 32.600 0.040 0.000 1.716 737 M HN 0.233 nan 8.290 nan 0.000 0.482 738 I N -0.352 120.254 120.570 0.061 0.000 2.646 738 I HA 0.929 5.099 4.170 0.000 0.000 0.299 738 I C -1.067 175.104 176.117 0.090 0.000 1.036 738 I CA -0.543 60.801 61.300 0.075 0.000 1.074 738 I CB 2.268 40.335 38.000 0.111 0.000 1.258 738 I HN 0.842 nan 8.210 nan 0.000 0.430 739 E N 4.126 124.378 120.200 0.087 0.000 2.302 739 E HA 0.658 5.008 4.350 0.000 0.000 0.263 739 E C -1.211 175.444 176.600 0.092 0.000 0.897 739 E CA -0.513 55.959 56.400 0.120 0.000 0.809 739 E CB 1.687 31.471 29.700 0.140 0.000 1.270 739 E HN 0.942 nan 8.360 nan 0.000 0.410 740 A N 4.146 126.982 122.820 0.027 0.000 2.401 740 A HA 0.291 4.612 4.320 0.000 0.000 0.259 740 A C -0.053 177.579 177.584 0.080 0.000 1.103 740 A CA -0.355 51.636 52.037 -0.077 0.000 0.789 740 A CB 0.398 19.459 19.000 0.102 0.000 1.035 740 A HN 0.675 nan 8.150 nan 0.000 0.491 741 D N 2.833 123.258 120.400 0.041 0.000 2.317 741 D HA 0.259 4.899 4.640 0.000 0.000 0.252 741 D C -1.770 174.654 176.300 0.208 0.000 1.174 741 D CA -1.636 52.465 54.000 0.168 0.000 0.866 741 D CB 1.342 42.213 40.800 0.118 0.000 1.127 741 D HN 0.154 nan 8.370 nan 0.000 0.467 742 P HA -0.001 nan 4.420 nan 0.000 0.233 742 P C 0.448 178.072 177.300 0.540 0.000 1.167 742 P CA 0.898 64.203 63.100 0.342 0.000 0.770 742 P CB 0.352 32.069 31.700 0.028 0.000 0.837 743 K N -1.332 119.278 120.400 0.349 0.000 2.354 743 K HA 0.246 4.566 4.320 0.000 0.000 0.194 743 K C 0.124 176.852 176.600 0.214 0.000 1.038 743 K CA 0.130 56.600 56.287 0.306 0.000 1.052 743 K CB 1.057 33.696 32.500 0.232 0.000 0.861 743 K HN -0.035 nan 8.250 nan 0.000 0.535 744 V N 0.983 121.017 119.914 0.201 0.000 2.612 744 V HA 0.263 4.384 4.120 0.000 0.000 0.301 744 V C -1.597 174.605 176.094 0.181 0.000 1.059 744 V CA -1.124 61.270 62.300 0.157 0.000 0.886 744 V CB 1.015 32.896 31.823 0.097 0.000 1.007 744 V HN 0.225 nan 8.190 nan 0.000 0.426 745 Y N 6.832 127.191 120.300 0.099 0.000 2.511 745 Y HA 0.526 5.076 4.550 0.000 0.000 0.332 745 Y C 1.278 177.261 175.900 0.138 0.000 1.177 745 Y CA 1.155 59.328 58.100 0.121 0.000 1.422 745 Y CB 1.206 39.706 38.460 0.067 0.000 1.271 745 Y HN 1.467 nan 8.280 nan 0.000 0.550 746 G N 4.364 112.819 108.800 -0.575 0.000 2.241 746 G HA2 -0.320 3.641 3.960 0.000 0.000 0.244 746 G HA3 -0.320 3.641 3.960 0.000 0.000 0.244 746 G C 0.380 175.328 174.900 0.079 0.000 0.998 746 G CA 0.117 44.988 45.100 -0.381 0.000 0.621 746 G HN 0.819 nan 8.290 nan 0.000 0.519 747 R N 0.262 120.726 120.500 -0.059 0.000 2.298 747 R HA 0.618 4.958 4.340 0.000 0.000 0.310 747 R C -0.562 175.400 176.300 -0.562 0.000 1.068 747 R CA 0.140 56.098 56.100 -0.236 0.000 0.957 747 R CB 1.252 31.418 30.300 -0.224 0.000 1.003 747 R HN 0.491 nan 8.270 nan 0.000 0.454 748 V N 6.266 125.784 119.914 -0.660 0.000 2.686 748 V HA 0.413 4.534 4.120 0.000 0.000 0.306 748 V C -1.663 174.147 176.094 -0.473 0.000 1.065 748 V CA -0.702 61.174 62.300 -0.708 0.000 0.894 748 V CB 1.592 32.820 31.823 -0.992 0.000 1.004 748 V HN 0.741 nan 8.190 nan 0.000 0.424 749 Y N 6.342 126.566 120.300 -0.126 0.000 2.320 749 Y HA 0.663 5.213 4.550 0.000 0.000 0.334 749 Y C -0.156 175.716 175.900 -0.047 0.000 1.055 749 Y CA -0.823 57.249 58.100 -0.047 0.000 1.143 749 Y CB 1.433 39.853 38.460 -0.066 0.000 1.193 749 Y HN 0.409 nan 8.280 nan 0.000 0.477 750 L N 3.516 124.801 121.223 0.104 0.000 2.265 750 L HA 0.526 4.866 4.340 0.000 0.000 0.289 750 L C 0.663 177.533 176.870 0.000 0.000 1.033 750 L CA -0.656 54.200 54.840 0.026 0.000 0.814 750 L CB 1.036 43.090 42.059 -0.008 0.000 1.203 750 L HN 0.794 nan 8.230 nan 0.000 0.423 751 G N 1.422 110.217 108.800 -0.009 0.000 2.333 751 G HA2 0.533 4.493 3.960 0.000 0.000 0.290 751 G HA3 0.533 4.493 3.960 0.000 0.000 0.290 751 G C 0.052 174.922 174.900 -0.049 0.000 1.150 751 G CA -0.117 44.970 45.100 -0.023 0.000 0.895 751 G HN 0.602 nan 8.290 nan 0.000 0.444 752 T N -0.422 114.107 114.554 -0.042 0.000 2.940 752 T HA 0.453 4.803 4.350 0.000 0.000 0.288 752 T C -0.167 174.526 174.700 -0.013 0.000 1.045 752 T CA -1.028 61.047 62.100 -0.041 0.000 1.018 752 T CB 2.053 70.906 68.868 -0.025 0.000 1.151 752 T HN 0.235 nan 8.240 nan 0.000 0.529 753 N N -0.050 118.647 118.700 -0.005 0.000 2.949 753 N HA 0.512 5.252 4.740 0.000 0.000 0.243 753 N C 0.885 176.411 175.510 0.027 0.000 1.113 753 N CA 0.766 53.827 53.050 0.018 0.000 0.980 753 N CB -0.237 38.263 38.487 0.023 0.000 1.256 753 N HN 1.152 nan 8.380 nan 0.000 0.508 754 G N 1.935 110.757 108.800 0.037 0.000 2.192 754 G HA2 -0.172 3.788 3.960 0.000 0.000 0.193 754 G HA3 -0.172 3.788 3.960 0.000 0.000 0.193 754 G C 0.722 175.660 174.900 0.064 0.000 0.999 754 G CA -0.462 44.668 45.100 0.050 0.000 0.659 754 G HN 0.424 nan 8.290 nan 0.000 0.503 755 R N 0.580 121.114 120.500 0.057 0.000 2.596 755 R HA 0.468 4.808 4.340 0.000 0.000 0.369 755 R C 1.389 177.719 176.300 0.050 0.000 1.042 755 R CA 0.925 57.076 56.100 0.085 0.000 1.120 755 R CB 0.110 30.480 30.300 0.115 0.000 1.353 755 R HN 1.506 nan 8.270 nan 0.000 0.564 756 G N 1.450 110.269 108.800 0.031 0.000 2.569 756 G HA2 -0.311 3.649 3.960 0.000 0.000 0.259 756 G HA3 -0.311 3.649 3.960 0.000 0.000 0.259 756 G C -0.154 174.733 174.900 -0.022 0.000 1.263 756 G CA -0.294 44.810 45.100 0.007 0.000 0.928 756 G HN 0.220 nan 8.290 nan 0.000 0.572 757 I N 0.613 121.171 120.570 -0.020 0.000 2.312 757 I HA 0.468 4.638 4.170 0.000 0.000 0.290 757 I C 0.355 176.491 176.117 0.031 0.000 1.008 757 I CA -0.867 60.427 61.300 -0.010 0.000 1.226 757 I CB 1.471 39.443 38.000 -0.047 0.000 1.371 757 I HN 0.344 nan 8.210 nan 0.000 0.468 758 V N 7.096 126.991 119.914 -0.032 0.000 2.472 758 V HA 0.375 4.495 4.120 0.000 0.000 0.290 758 V C -0.588 175.581 176.094 0.126 0.000 1.037 758 V CA -0.628 61.629 62.300 -0.072 0.000 0.908 758 V CB 1.192 32.725 31.823 -0.483 0.000 0.985 758 V HN 0.620 nan 8.190 nan 0.000 0.454 759 Y N 2.144 122.432 120.300 -0.019 0.000 2.425 759 Y HA 0.902 5.452 4.550 0.000 0.000 0.344 759 Y C -0.174 175.577 175.900 -0.247 0.000 0.969 759 Y CA -1.245 56.763 58.100 -0.153 0.000 1.052 759 Y CB 1.646 39.972 38.460 -0.224 0.000 1.215 759 Y HN 0.669 nan 8.280 nan 0.000 0.451 760 A N 3.097 125.689 122.820 -0.380 0.000 2.292 760 A HA 0.645 4.965 4.320 0.000 0.000 0.319 760 A C -1.289 176.150 177.584 -0.241 0.000 1.206 760 A CA -0.368 51.230 52.037 -0.733 0.000 0.835 760 A CB 0.837 19.232 19.000 -1.008 0.000 1.164 760 A HN 0.817 nan 8.150 nan 0.000 0.505 761 D N 1.150 121.487 120.400 -0.105 0.000 2.732 761 D HA 0.456 5.096 4.640 0.000 0.000 0.229 761 D C -0.964 175.272 176.300 -0.106 0.000 1.152 761 D CA -0.232 53.761 54.000 -0.012 0.000 0.854 761 D CB 1.643 42.442 40.800 -0.002 0.000 1.590 761 D HN 0.430 nan 8.370 nan 0.000 0.468 762 L N 2.222 123.300 121.223 -0.241 0.000 2.281 762 L HA 0.430 4.770 4.340 0.000 0.000 0.285 762 L C 0.521 177.296 176.870 -0.159 0.000 1.074 762 L CA 0.034 54.661 54.840 -0.356 0.000 0.817 762 L CB 0.924 42.758 42.059 -0.375 0.000 1.168 762 L HN 0.485 nan 8.230 nan 0.000 0.434 772 S N 1.872 117.615 115.700 0.072 0.000 2.537 772 S HA 0.202 4.672 4.470 0.000 0.000 0.286 772 S C 0.017 174.763 174.600 0.244 0.000 1.299 772 S CA 0.498 58.816 58.200 0.198 0.000 1.067 772 S CB 0.605 64.032 63.200 0.379 0.000 0.864 772 S HN 0.390 nan 8.310 nan 0.000 0.494 773 T N 0.221 114.823 114.554 0.081 0.000 2.949 773 T HA 0.903 5.254 4.350 0.000 0.000 0.287 773 T C -0.431 174.011 174.700 -0.431 0.000 1.034 773 T CA -0.814 61.218 62.100 -0.114 0.000 1.018 773 T CB 1.793 70.597 68.868 -0.107 0.000 1.135 773 T HN 0.772 nan 8.240 nan 0.000 0.532 774 A N 1.041 123.463 122.820 -0.663 0.000 2.608 774 A HA 0.795 5.115 4.320 0.000 0.000 0.292 774 A C -1.309 176.005 177.584 -0.450 0.000 1.066 774 A CA -1.177 50.424 52.037 -0.727 0.000 0.676 774 A CB 1.521 19.592 19.000 -1.548 0.000 1.277 774 A HN 1.198 nan 8.150 nan 0.000 0.413 775 K N -0.277 119.924 120.400 -0.332 0.000 2.536 775 K HA 0.673 4.993 4.320 0.000 0.000 0.269 775 K C -1.215 175.268 176.600 -0.194 0.000 0.965 775 K CA -0.609 55.551 56.287 -0.213 0.000 0.860 775 K CB 1.564 33.970 32.500 -0.156 0.000 1.423 775 K HN 0.576 nan 8.250 nan 0.000 0.438 776 c N 1.799 120.319 118.600 -0.134 0.000 2.415 776 c HA 0.368 4.938 4.570 0.000 0.000 0.369 776 c C 1.787 175.803 174.090 -0.125 0.000 1.279 776 c CA -0.003 56.257 56.329 -0.115 0.000 1.886 776 c CB 0.037 42.496 42.510 -0.085 0.000 2.468 776 c HN 0.978 nan 8.230 nan 0.000 0.553 777 A N 3.621 126.339 122.820 -0.169 0.000 2.015 777 A HA -0.127 4.193 4.320 0.000 0.000 0.219 777 A C 1.880 179.455 177.584 -0.015 0.000 1.163 777 A CA 1.777 53.737 52.037 -0.129 0.000 0.646 777 A CB -0.370 18.475 19.000 -0.258 0.000 0.806 777 A HN 0.946 nan 8.150 nan 0.000 0.448 778 N N -0.983 117.712 118.700 -0.009 0.000 2.461 778 N HA 0.229 4.969 4.740 0.000 0.000 0.188 778 N C 0.987 176.478 175.510 -0.031 0.000 1.134 778 N CA 1.040 54.089 53.050 -0.001 0.000 0.878 778 N CB -0.457 38.025 38.487 -0.009 0.000 0.972 778 N HN 0.736 nan 8.380 nan 0.000 0.456 779 G N -0.862 107.911 108.800 -0.044 0.000 2.136 779 G HA2 -0.313 3.648 3.960 0.000 0.000 0.242 779 G HA3 -0.313 3.648 3.960 0.000 0.000 0.242 779 G C -0.226 174.643 174.900 -0.051 0.000 0.989 779 G CA 0.071 45.145 45.100 -0.043 0.000 0.682 779 G HN 0.498 nan 8.290 nan 0.000 0.522 780 Q N 0.334 120.091 119.800 -0.071 0.000 2.392 780 Q HA 0.448 4.788 4.340 0.000 0.000 0.262 780 Q C 0.776 176.748 176.000 -0.048 0.000 1.003 780 Q CA 0.005 55.762 55.803 -0.076 0.000 0.888 780 Q CB 0.542 29.198 28.738 -0.136 0.000 1.260 780 Q HN 0.479 nan 8.270 nan 0.000 0.435 781 K N 1.124 121.511 120.400 -0.022 0.000 2.401 781 K HA 0.282 4.602 4.320 0.000 0.000 0.278 781 K C 0.587 177.198 176.600 0.018 0.000 1.018 781 K CA 0.800 57.085 56.287 -0.003 0.000 0.981 781 K CB -0.043 32.462 32.500 0.008 0.000 0.933 781 K HN 0.775 nan 8.250 nan 0.000 0.477 782 G N 2.353 111.156 108.800 0.005 0.000 2.556 782 G HA2 -0.370 3.590 3.960 0.000 0.000 0.283 782 G HA3 -0.370 3.590 3.960 0.000 0.000 0.283 782 G C 0.460 175.370 174.900 0.017 0.000 1.177 782 G CA 0.554 45.665 45.100 0.019 0.000 0.978 782 G HN 0.792 nan 8.290 nan 0.000 0.554 783 T N -3.508 111.102 114.554 0.093 0.000 3.145 783 T HA 0.357 4.707 4.350 0.000 0.000 0.281 783 T C 0.527 175.413 174.700 0.310 0.000 1.003 783 T CA 0.893 63.074 62.100 0.135 0.000 0.901 783 T CB 0.057 69.005 68.868 0.132 0.000 1.112 783 T HN 0.889 nan 8.240 nan 0.000 0.535 784 H N 1.100 120.244 119.070 0.124 0.000 2.908 784 H HA 0.287 4.843 4.556 0.000 0.000 0.269 784 H C 0.200 175.374 175.328 -0.256 0.000 1.303 784 H CA -0.660 55.422 56.048 0.056 0.000 1.341 784 H CB 0.122 29.927 29.762 0.071 0.000 1.519 784 H HN 0.362 nan 8.280 nan 0.000 0.505 785 c N 4.253 122.362 118.600 -0.818 0.000 2.594 785 c HA -0.037 4.533 4.570 0.000 0.000 0.265 785 c C 0.969 174.535 174.090 -0.874 0.000 1.351 785 c CA -0.496 55.414 56.329 -0.698 0.000 1.744 785 c CB -1.621 40.680 42.510 -0.349 0.000 1.890 785 c HN 0.746 nan 8.230 nan 0.000 0.551 786 Y N 2.570 121.885 120.300 -1.641 0.000 2.717 786 Y HA 0.289 4.839 4.550 0.000 0.000 0.330 786 Y C 0.883 176.416 175.900 -0.612 0.000 1.217 786 Y CA 0.345 57.765 58.100 -1.134 0.000 1.506 786 Y CB 0.088 37.734 38.460 -1.358 0.000 1.268 786 Y HN 0.152 nan 8.280 nan 0.000 0.561 787 V N 0.000 119.293 119.914 -1.034 0.000 2.409 787 V HA 0.000 4.120 4.120 0.000 0.000 0.244 787 V CA 0.000 61.761 62.300 -0.898 0.000 1.235 787 V CB 0.000 31.188 31.823 -1.059 0.000 1.184 787 V HN 0.000 nan 8.190 nan 0.000 0.556