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 1f4h_1_B DATA FIRST_RESID 3 DATA SEQUENCE ITDSLAVVLQ RRDWENPGVT QLNRLAAHPP FASWRNSEEA RTDRPSQQLR DATA SEQUENCE SLNGEWRFAW FPAPEAVPES WLECDLPEAD TVVVPSNWQM HGYDAPIYTN DATA SEQUENCE VTYPITVNPP FVPTENPTGC YSLTFNVDES WLQEGQTRII FDGVNSAFHL DATA SEQUENCE WCNGRWVGYG QDSRLPSEFD LSAFLRAGEN RLAVMVLRWS DGSYLEDQDM DATA SEQUENCE WRMSGIFRDV SLLHKPTTQI SDFHVATRFN DDFSRAVLEA EVQMCGELRD DATA SEQUENCE YLRVTVSLWQ GETQVASGTA PFGGEIIDER GGYADRVTLR LNVENPKLWS DATA SEQUENCE AEIPNLYRAV VELHTADGTL IEAEACDVGF REVRIENGLL LLNGKPLLIR DATA SEQUENCE GVNRHEHHPL HGQVMDEQTM VQDILLMKQN NFNAVRCSHY PNHPLWYTLC DATA SEQUENCE DRYGLYVVDE ANIETHGMVP MNRLTDDPRW LPAMSERVTR MVQRDRNHPS DATA SEQUENCE VIIWSLGNES GHGANHDALY RWIKSVDPSR PVQYEGGGAD TTATDIICPM DATA SEQUENCE YARVDEDQPF PAVPKWSIKK WLSLPGETRP LILCEYAHAM GNSLGGFAKY DATA SEQUENCE WQAFRQYPRL QGGFVWDWVD QSLIKYDENG NPWSAYGGDF GDTPNDRQFC DATA SEQUENCE MNGLVFADRT PHPALTEAKH QQQFFQFRLS GQTIEVTSEY LFRHSDNELL DATA SEQUENCE HWMVALDGKP LASGEVPLDV APQGKQLIEL PELPQPESAG QLWLTVRVVQ DATA SEQUENCE PNATAWSEAG HISAWQQWRL AENLSVTLPA ASHAIPHLTT SEMDFCIELG DATA SEQUENCE NKRWQFNRQS GFLSQMWIGD KKQLLTPLRD QFTRAPLDND IGVSEATRID DATA SEQUENCE PNAWVERWKA AGHYQAEAAL LQCTADTLAD AVLITTAHAW QHQGKTLFIS DATA SEQUENCE RKTYRIDGSG QMAITVDVEV ASDTPHPARI GLNCQLAQVA ERVNWLGLGP DATA SEQUENCE QENYPDRLTA ACFDRWDLPL SDMYTPYVFP SENGLRCGTR ELNYGPHQWR DATA SEQUENCE GDFQFNISRY SQQQLMETSH RHLLHAEEGT WLNIDGFHMG IGGDDSWSPS DATA SEQUENCE VSAEFQLSAG RYHYQLVWCQ K 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 I HA 0.000 nan 4.170 nan 0.000 0.288 3 I C 0.000 176.143 176.117 0.043 0.000 1.063 3 I CA 0.000 61.322 61.300 0.036 0.000 1.566 3 I CB 0.000 38.014 38.000 0.023 0.000 1.214 4 T N -0.621 113.965 114.554 0.054 0.000 3.155 4 T HA 0.051 4.412 4.350 0.018 0.000 0.264 4 T C 0.691 175.439 174.700 0.080 0.000 1.160 4 T CA 1.364 63.491 62.100 0.046 0.000 1.075 4 T CB -0.577 68.323 68.868 0.054 0.000 0.921 4 T HN 0.412 nan 8.240 nan 0.000 0.533 5 D N 1.335 121.825 120.400 0.150 0.000 2.398 5 D HA 0.109 4.760 4.640 0.018 0.000 0.210 5 D C 0.714 177.171 176.300 0.261 0.000 1.094 5 D CA -0.006 54.182 54.000 0.313 0.000 0.839 5 D CB 0.206 41.238 40.800 0.386 0.000 0.963 5 D HN 0.514 nan 8.370 nan 0.000 0.506 6 S N 0.572 116.332 115.700 0.099 0.000 2.558 6 S HA 0.020 4.501 4.470 0.018 0.000 0.287 6 S C 1.779 176.399 174.600 0.033 0.000 1.321 6 S CA -0.419 57.795 58.200 0.024 0.000 1.048 6 S CB 1.263 64.464 63.200 0.001 0.000 0.844 6 S HN 0.069 nan 8.310 nan 0.000 0.512 7 L N 1.818 123.014 121.223 -0.044 0.000 1.971 7 L HA -0.250 4.100 4.340 0.018 0.000 0.215 7 L C 3.018 179.893 176.870 0.008 0.000 1.072 7 L CA 2.154 56.982 54.840 -0.020 0.000 0.758 7 L CB -1.519 40.492 42.059 -0.080 0.000 0.889 7 L HN 0.996 nan 8.230 nan 0.000 0.433 8 A N -0.850 121.960 122.820 -0.016 0.000 1.985 8 A HA -0.253 4.078 4.320 0.018 0.000 0.223 8 A C 2.341 179.912 177.584 -0.021 0.000 1.189 8 A CA 2.433 54.462 52.037 -0.014 0.000 0.658 8 A CB -0.938 18.050 19.000 -0.020 0.000 0.820 8 A HN 0.319 nan 8.150 nan 0.000 0.464 9 V N -1.148 118.746 119.914 -0.032 0.000 2.331 9 V HA -0.135 3.996 4.120 0.018 0.000 0.242 9 V C 2.507 178.527 176.094 -0.123 0.000 1.034 9 V CA 1.735 63.997 62.300 -0.063 0.000 1.027 9 V CB -0.175 31.615 31.823 -0.054 0.000 0.667 9 V HN 0.340 nan 8.190 nan 0.000 0.457 10 V N 0.363 120.176 119.914 -0.168 0.000 2.252 10 V HA -0.286 3.845 4.120 0.018 0.000 0.249 10 V C 2.345 178.303 176.094 -0.227 0.000 1.056 10 V CA 2.264 64.342 62.300 -0.369 0.000 1.022 10 V CB -0.555 30.990 31.823 -0.462 0.000 0.641 10 V HN 0.450 nan 8.190 nan 0.000 0.445 11 L N -0.136 121.065 121.223 -0.036 0.000 2.456 11 L HA -0.168 4.183 4.340 0.018 0.000 0.224 11 L C 2.469 179.408 176.870 0.115 0.000 1.148 11 L CA 1.340 56.290 54.840 0.183 0.000 0.825 11 L CB -0.669 41.506 42.059 0.194 0.000 0.937 11 L HN 0.473 nan 8.230 nan 0.000 0.450 12 Q N 0.425 120.214 119.800 -0.018 0.000 2.079 12 Q HA -0.165 4.186 4.340 0.018 0.000 0.200 12 Q C 2.279 178.201 176.000 -0.130 0.000 0.974 12 Q CA 1.351 57.122 55.803 -0.055 0.000 0.840 12 Q CB 0.010 28.711 28.738 -0.062 0.000 0.898 12 Q HN 0.117 nan 8.270 nan 0.000 0.430 13 R N 0.594 120.993 120.500 -0.169 0.000 2.139 13 R HA -0.047 4.304 4.340 0.018 0.000 0.243 13 R C 0.302 176.402 176.300 -0.333 0.000 1.145 13 R CA 1.186 57.158 56.100 -0.214 0.000 0.976 13 R CB -0.433 29.741 30.300 -0.209 0.000 0.866 13 R HN 0.391 nan 8.270 nan 0.000 0.449 14 R N 0.878 121.056 120.500 -0.536 0.000 3.267 14 R HA -0.131 4.220 4.340 0.018 0.000 0.254 14 R C -0.065 175.697 176.300 -0.897 0.000 0.993 14 R CA 0.597 55.992 56.100 -1.176 0.000 0.670 14 R CB -1.325 28.402 30.300 -0.955 0.000 1.125 14 R HN 0.381 nan 8.270 nan 0.000 0.434 15 D N -0.251 119.813 120.400 -0.561 0.000 2.265 15 D HA -0.195 4.455 4.640 0.018 0.000 0.208 15 D C 1.607 177.847 176.300 -0.101 0.000 0.977 15 D CA 1.801 55.596 54.000 -0.341 0.000 0.871 15 D CB -0.159 40.377 40.800 -0.440 0.000 0.925 15 D HN 0.731 nan 8.370 nan 0.000 0.485 16 W N 1.607 122.934 121.300 0.044 0.000 3.077 16 W HA 0.145 4.815 4.660 0.018 0.000 0.245 16 W C 0.841 177.471 176.519 0.185 0.000 1.316 16 W CA -0.116 57.371 57.345 0.238 0.000 1.537 16 W CB -0.238 29.394 29.460 0.286 0.000 1.131 16 W HN -0.155 nan 8.180 nan 0.000 0.695 17 E N 0.541 120.581 120.200 -0.268 0.000 2.660 17 E HA 0.019 4.380 4.350 0.018 0.000 0.216 17 E C -0.460 176.012 176.600 -0.213 0.000 0.986 17 E CA -0.204 56.099 56.400 -0.162 0.000 1.037 17 E CB -0.015 29.607 29.700 -0.131 0.000 1.041 17 E HN 0.104 nan 8.360 nan 0.000 0.480 18 N N 1.263 119.857 118.700 -0.177 0.000 2.576 18 N HA 0.134 4.885 4.740 0.018 0.000 0.269 18 N C -2.305 173.090 175.510 -0.192 0.000 1.058 18 N CA -2.154 50.770 53.050 -0.211 0.000 0.860 18 N CB 1.356 39.727 38.487 -0.194 0.000 1.249 18 N HN -0.255 nan 8.380 nan 0.000 0.525 19 P HA 0.108 nan 4.420 nan 0.000 0.239 19 P C 0.794 177.847 177.300 -0.411 0.000 1.184 19 P CA 0.508 63.316 63.100 -0.486 0.000 0.760 19 P CB 0.033 31.008 31.700 -1.209 0.000 0.884 20 G N -0.932 107.685 108.800 -0.305 0.000 3.189 20 G HA2 0.227 4.197 3.960 0.018 0.000 0.225 20 G HA3 0.227 4.197 3.960 0.018 0.000 0.225 20 G C -0.154 174.668 174.900 -0.131 0.000 1.159 20 G CA 0.095 45.058 45.100 -0.229 0.000 0.763 20 G HN 0.192 nan 8.290 nan 0.000 0.549 21 V N 1.251 121.113 119.914 -0.086 0.000 2.445 21 V HA 0.295 4.426 4.120 0.018 0.000 0.283 21 V C 0.748 176.888 176.094 0.077 0.000 1.014 21 V CA 0.046 62.352 62.300 0.010 0.000 0.852 21 V CB 1.569 33.410 31.823 0.030 0.000 1.021 21 V HN 0.312 nan 8.190 nan 0.000 0.435 22 T N 0.945 115.518 114.554 0.032 0.000 2.985 22 T HA 0.361 4.721 4.350 0.018 0.000 0.254 22 T C 0.205 174.870 174.700 -0.058 0.000 1.021 22 T CA 0.321 62.416 62.100 -0.009 0.000 0.957 22 T CB 0.391 69.231 68.868 -0.047 0.000 1.047 22 T HN 0.709 nan 8.240 nan 0.000 0.511 23 Q N 0.122 119.945 119.800 0.037 0.000 2.666 23 Q HA 0.657 5.008 4.340 0.018 0.000 0.276 23 Q C -2.451 173.633 176.000 0.139 0.000 0.952 23 Q CA -1.126 54.698 55.803 0.036 0.000 0.850 23 Q CB 0.712 29.413 28.738 -0.062 0.000 1.512 23 Q HN 0.053 nan 8.270 nan 0.000 0.395 24 L N 3.307 124.649 121.223 0.198 0.000 2.446 24 L HA 0.533 4.884 4.340 0.018 0.000 0.268 24 L C -0.611 176.370 176.870 0.185 0.000 0.975 24 L CA -0.037 54.941 54.840 0.230 0.000 0.848 24 L CB 1.187 43.490 42.059 0.407 0.000 1.225 24 L HN 0.953 nan 8.230 nan 0.000 0.410 25 N N 1.793 120.565 118.700 0.120 0.000 2.735 25 N HA -0.255 4.496 4.740 0.018 0.000 0.248 25 N C 0.316 175.902 175.510 0.126 0.000 1.083 25 N CA 0.384 53.496 53.050 0.102 0.000 0.703 25 N CB -0.777 37.750 38.487 0.066 0.000 1.005 25 N HN 0.592 nan 8.380 nan 0.000 0.550 26 R N 0.664 121.126 120.500 -0.063 0.000 2.410 26 R HA 0.532 4.883 4.340 0.018 0.000 0.288 26 R C 0.534 176.677 176.300 -0.262 0.000 1.051 26 R CA -0.490 55.341 56.100 -0.449 0.000 1.021 26 R CB 0.736 30.775 30.300 -0.435 0.000 1.032 26 R HN 0.186 nan 8.270 nan 0.000 0.481 27 L N 2.480 123.529 121.223 -0.289 0.000 2.468 27 L HA 0.406 4.757 4.340 0.018 0.000 0.254 27 L C 0.514 177.330 176.870 -0.089 0.000 1.171 27 L CA -0.815 53.951 54.840 -0.123 0.000 0.809 27 L CB 0.747 42.767 42.059 -0.065 0.000 1.155 27 L HN 0.717 nan 8.230 nan 0.000 0.473 28 A N 0.904 123.705 122.820 -0.031 0.000 2.462 28 A HA 0.519 4.850 4.320 0.018 0.000 0.243 28 A C 0.288 177.913 177.584 0.067 0.000 1.076 28 A CA -0.108 51.927 52.037 -0.004 0.000 0.773 28 A CB 0.163 19.169 19.000 0.009 0.000 1.010 28 A HN 0.777 nan 8.150 nan 0.000 0.493 29 A N 1.907 124.732 122.820 0.007 0.000 2.386 29 A HA 0.654 4.985 4.320 0.018 0.000 0.248 29 A C 0.146 177.727 177.584 -0.005 0.000 1.082 29 A CA 0.524 52.533 52.037 -0.047 0.000 0.789 29 A CB -0.121 18.810 19.000 -0.116 0.000 1.025 29 A HN 1.768 nan 8.150 nan 0.000 0.490 30 H N -1.689 117.224 119.070 -0.263 0.000 2.917 30 H HA 0.625 5.192 4.556 0.018 0.000 0.299 30 H C -3.301 171.743 175.328 -0.474 0.000 1.418 30 H CA -1.809 54.005 56.048 -0.389 0.000 1.138 30 H CB 0.327 29.742 29.762 -0.577 0.000 1.830 30 H HN 0.409 nan 8.280 nan 0.000 0.514 31 P HA 0.162 nan 4.420 nan 0.000 0.273 31 P C -2.568 174.411 177.300 -0.535 0.000 1.250 31 P CA -1.448 61.345 63.100 -0.511 0.000 0.793 31 P CB -0.455 30.922 31.700 -0.537 0.000 1.011 32 P HA 0.089 nan 4.420 nan 0.000 0.261 32 P C -0.576 176.883 177.300 0.265 0.000 1.203 32 P CA 1.051 64.124 63.100 -0.046 0.000 0.767 32 P CB -0.233 31.501 31.700 0.057 0.000 0.785 33 F N 1.637 121.694 119.950 0.178 0.000 2.483 33 F HA 0.575 5.113 4.527 0.018 0.000 0.329 33 F C 1.167 176.968 175.800 0.002 0.000 1.064 33 F CA -0.831 57.278 58.000 0.182 0.000 0.986 33 F CB 1.967 41.108 39.000 0.234 0.000 1.218 33 F HN 0.238 nan 8.300 nan 0.000 0.484 34 A N 0.230 123.068 122.820 0.030 0.000 2.189 34 A HA 0.214 4.544 4.320 0.018 0.000 0.177 34 A C 0.636 177.948 177.584 -0.454 0.000 1.745 34 A CA 0.616 52.416 52.037 -0.395 0.000 1.284 34 A CB -0.107 18.236 19.000 -1.094 0.000 1.508 34 A HN 0.792 nan 8.150 nan 0.000 0.440 35 S N -0.026 115.494 115.700 -0.301 0.000 3.783 35 S HA -0.140 4.341 4.470 0.018 0.000 0.360 35 S C 0.107 174.621 174.600 -0.144 0.000 1.006 35 S CA 0.528 58.600 58.200 -0.212 0.000 1.115 35 S CB -1.877 61.183 63.200 -0.234 0.000 0.893 35 S HN 0.501 nan 8.310 nan 0.000 0.475 36 W N 1.177 122.462 121.300 -0.024 0.000 2.186 36 W HA 0.127 4.798 4.660 0.018 0.000 0.355 36 W C 1.559 178.068 176.519 -0.017 0.000 1.293 36 W CA -0.169 57.172 57.345 -0.006 0.000 1.316 36 W CB 0.096 29.551 29.460 -0.008 0.000 1.212 36 W HN 0.361 nan 8.180 nan 0.000 0.610 37 R N 0.780 121.430 120.500 0.249 0.000 2.543 37 R HA 0.075 4.425 4.340 0.018 0.000 0.323 37 R C -0.409 175.967 176.300 0.128 0.000 1.002 37 R CA -0.146 56.041 56.100 0.145 0.000 1.106 37 R CB -0.221 30.134 30.300 0.092 0.000 1.280 37 R HN 0.597 nan 8.270 nan 0.000 0.549 38 N N -1.209 117.581 118.700 0.149 0.000 2.537 38 N HA -0.039 4.712 4.740 0.018 0.000 0.281 38 N C 0.541 176.043 175.510 -0.014 0.000 1.097 38 N CA -0.064 53.025 53.050 0.064 0.000 0.964 38 N CB 1.905 40.422 38.487 0.050 0.000 1.588 38 N HN -0.148 nan 8.380 nan 0.000 0.511 39 S N 2.092 117.765 115.700 -0.045 0.000 2.409 39 S HA -0.286 4.195 4.470 0.018 0.000 0.237 39 S C 1.189 175.634 174.600 -0.258 0.000 1.060 39 S CA 1.494 59.618 58.200 -0.126 0.000 1.052 39 S CB -0.371 62.789 63.200 -0.066 0.000 0.871 39 S HN 0.704 nan 8.310 nan 0.000 0.465 40 E N 0.689 120.758 120.200 -0.218 0.000 2.112 40 E HA -0.032 4.329 4.350 0.018 0.000 0.190 40 E C 2.211 178.617 176.600 -0.324 0.000 0.979 40 E CA 0.929 57.158 56.400 -0.285 0.000 0.814 40 E CB -0.354 29.225 29.700 -0.202 0.000 0.762 40 E HN 0.765 nan 8.360 nan 0.000 0.460 41 E N 0.715 120.757 120.200 -0.263 0.000 2.110 41 E HA -0.154 4.207 4.350 0.018 0.000 0.193 41 E C 1.993 178.120 176.600 -0.788 0.000 0.988 41 E CA 0.962 57.207 56.400 -0.258 0.000 0.804 41 E CB -0.038 29.702 29.700 0.067 0.000 0.745 41 E HN 0.164 nan 8.360 nan 0.000 0.458 42 A N 1.194 123.301 122.820 -1.189 0.000 1.933 42 A HA -0.200 4.130 4.320 0.018 0.000 0.218 42 A C 2.069 179.055 177.584 -0.998 0.000 1.175 42 A CA 1.493 52.446 52.037 -1.806 0.000 0.628 42 A CB -0.381 17.997 19.000 -1.036 0.000 0.814 42 A HN 0.076 nan 8.150 nan 0.000 0.444 43 R N -0.335 119.766 120.500 -0.665 0.000 2.115 43 R HA -0.090 4.261 4.340 0.018 0.000 0.226 43 R C 1.903 177.949 176.300 -0.422 0.000 1.100 43 R CA 1.832 57.596 56.100 -0.559 0.000 0.980 43 R CB -0.276 29.600 30.300 -0.705 0.000 0.875 43 R HN 0.624 nan 8.270 nan 0.000 0.445 44 T N -2.771 111.556 114.554 -0.379 0.000 3.107 44 T HA 0.040 4.401 4.350 0.018 0.000 0.249 44 T C 0.214 174.823 174.700 -0.152 0.000 1.096 44 T CA 0.435 62.399 62.100 -0.226 0.000 1.012 44 T CB 0.071 68.833 68.868 -0.175 0.000 0.977 44 T HN 0.346 nan 8.240 nan 0.000 0.527 45 D N 0.725 120.980 120.400 -0.242 0.000 2.716 45 D HA -0.162 4.489 4.640 0.018 0.000 0.239 45 D C -0.182 176.204 176.300 0.143 0.000 1.125 45 D CA 0.344 54.329 54.000 -0.026 0.000 0.681 45 D CB -1.164 39.667 40.800 0.052 0.000 1.070 45 D HN 0.518 nan 8.370 nan 0.000 0.432 46 R N 0.241 120.829 120.500 0.148 0.000 2.536 46 R HA 0.517 4.868 4.340 0.018 0.000 0.279 46 R C -2.194 174.433 176.300 0.545 0.000 1.001 46 R CA -1.756 54.500 56.100 0.260 0.000 1.027 46 R CB 0.846 31.234 30.300 0.146 0.000 1.096 46 R HN 0.062 nan 8.270 nan 0.000 0.502 47 P HA -0.061 nan 4.420 nan 0.000 0.266 47 P C -0.709 176.682 177.300 0.152 0.000 1.195 47 P CA 0.231 63.463 63.100 0.219 0.000 0.768 47 P CB 0.718 32.496 31.700 0.131 0.000 0.838 48 S N 2.608 118.229 115.700 -0.131 0.000 2.422 48 S HA 0.092 4.573 4.470 0.018 0.000 0.308 48 S C 1.156 175.715 174.600 -0.068 0.000 1.097 48 S CA -0.580 57.452 58.200 -0.280 0.000 1.099 48 S CB 0.250 62.981 63.200 -0.782 0.000 0.976 48 S HN 0.286 nan 8.310 nan 0.000 0.471 49 Q N 3.274 123.096 119.800 0.036 0.000 2.368 49 Q HA -0.167 4.184 4.340 0.018 0.000 0.210 49 Q C 0.816 176.944 176.000 0.214 0.000 0.982 49 Q CA 1.234 57.106 55.803 0.115 0.000 0.884 49 Q CB -0.344 28.471 28.738 0.127 0.000 0.933 49 Q HN 0.786 nan 8.270 nan 0.000 0.460 50 Q N 0.280 120.155 119.800 0.125 0.000 2.482 50 Q HA 0.131 4.482 4.340 0.018 0.000 0.209 50 Q C -0.273 175.806 176.000 0.132 0.000 0.961 50 Q CA 0.296 56.179 55.803 0.134 0.000 0.945 50 Q CB 0.272 28.967 28.738 -0.072 0.000 1.012 50 Q HN 0.111 nan 8.270 nan 0.000 0.515 51 L N 0.415 121.704 121.223 0.109 0.000 2.372 51 L HA 0.438 4.789 4.340 0.018 0.000 0.273 51 L C -1.324 175.609 176.870 0.107 0.000 0.989 51 L CA -0.331 54.558 54.840 0.082 0.000 0.841 51 L CB 1.238 43.265 42.059 -0.054 0.000 1.225 51 L HN -0.142 nan 8.230 nan 0.000 0.414 52 R N 2.578 123.165 120.500 0.146 0.000 2.534 52 R HA 0.549 4.900 4.340 0.018 0.000 0.301 52 R C -0.705 175.612 176.300 0.028 0.000 0.961 52 R CA -0.638 55.510 56.100 0.081 0.000 0.871 52 R CB 2.208 32.550 30.300 0.069 0.000 1.170 52 R HN 0.714 nan 8.270 nan 0.000 0.446 53 S N 3.187 118.896 115.700 0.015 0.000 2.562 53 S HA 0.258 4.739 4.470 0.018 0.000 0.275 53 S C 0.692 175.288 174.600 -0.006 0.000 1.281 53 S CA -0.603 57.598 58.200 0.002 0.000 1.045 53 S CB 0.625 63.838 63.200 0.022 0.000 0.962 53 S HN 0.596 nan 8.310 nan 0.000 0.503 54 L N 3.236 124.457 121.223 -0.004 0.000 2.872 54 L HA 0.299 4.650 4.340 0.018 0.000 0.245 54 L C 0.017 177.037 176.870 0.250 0.000 1.211 54 L CA -0.493 54.381 54.840 0.056 0.000 1.013 54 L CB -0.605 41.436 42.059 -0.030 0.000 1.326 54 L HN 0.569 nan 8.230 nan 0.000 0.525 55 N N 1.335 120.119 118.700 0.140 0.000 2.530 55 N HA 0.603 5.354 4.740 0.018 0.000 0.277 55 N C 0.613 176.239 175.510 0.193 0.000 1.168 55 N CA 0.558 53.703 53.050 0.157 0.000 0.979 55 N CB 2.008 40.528 38.487 0.054 0.000 1.141 55 N HN 0.251 nan 8.380 nan 0.000 0.459 56 G N 0.439 109.383 108.800 0.239 0.000 2.292 56 G HA2 -0.102 3.869 3.960 0.018 0.000 0.194 56 G HA3 -0.102 3.869 3.960 0.018 0.000 0.194 56 G C -1.432 173.664 174.900 0.328 0.000 1.329 56 G CA -0.799 44.434 45.100 0.222 0.000 1.100 56 G HN 0.460 nan 8.290 nan 0.000 0.470 57 E N 0.194 120.554 120.200 0.268 0.000 2.265 57 E HA 0.416 4.776 4.350 0.018 0.000 0.272 57 E C -0.851 175.990 176.600 0.400 0.000 1.067 57 E CA 0.073 56.641 56.400 0.279 0.000 0.900 57 E CB 0.484 30.285 29.700 0.168 0.000 1.017 57 E HN 0.358 nan 8.360 nan 0.000 0.431 58 W N 2.083 123.482 121.300 0.165 0.000 2.804 58 W HA 0.449 5.120 4.660 0.018 0.000 0.352 58 W C 0.019 176.671 176.519 0.222 0.000 1.153 58 W CA -0.659 56.817 57.345 0.218 0.000 1.119 58 W CB 1.043 30.691 29.460 0.313 0.000 1.448 58 W HN 0.223 nan 8.180 nan 0.000 0.600 59 R N 1.627 122.427 120.500 0.499 0.000 2.445 59 R HA 0.525 4.876 4.340 0.018 0.000 0.308 59 R C -1.476 175.074 176.300 0.418 0.000 0.961 59 R CA -0.786 55.532 56.100 0.364 0.000 0.862 59 R CB 1.532 31.973 30.300 0.234 0.000 1.144 59 R HN 0.351 nan 8.270 nan 0.000 0.447 60 F N 1.156 121.165 119.950 0.098 0.000 2.593 60 F HA 0.741 5.279 4.527 0.018 0.000 0.320 60 F C -1.333 174.393 175.800 -0.124 0.000 1.060 60 F CA -0.625 57.300 58.000 -0.125 0.000 0.940 60 F CB 2.163 40.978 39.000 -0.308 0.000 1.268 60 F HN 0.596 nan 8.300 nan 0.000 0.475 61 A N 3.153 125.127 122.820 -1.409 0.000 2.555 61 A HA 0.482 4.813 4.320 0.018 0.000 0.297 61 A C -2.559 174.210 177.584 -1.358 0.000 1.060 61 A CA -0.491 50.954 52.037 -0.988 0.000 0.710 61 A CB 0.278 18.947 19.000 -0.552 0.000 1.282 61 A HN 0.925 nan 8.150 nan 0.000 0.399 62 W N 2.812 123.421 121.300 -1.151 0.000 2.529 62 W HA 0.781 5.452 4.660 0.018 0.000 0.321 62 W C -1.889 174.002 176.519 -1.048 0.000 1.047 62 W CA -0.487 56.279 57.345 -0.965 0.000 1.216 62 W CB 1.271 30.458 29.460 -0.455 0.000 1.357 62 W HN 0.513 nan 8.180 nan 0.000 0.489 63 F N 6.437 125.783 119.950 -1.006 0.000 2.563 63 F HA 0.396 4.934 4.527 0.018 0.000 0.316 63 F C -1.462 173.535 175.800 -1.337 0.000 1.076 63 F CA -2.536 54.951 58.000 -0.853 0.000 0.921 63 F CB 1.457 40.120 39.000 -0.561 0.000 1.209 63 F HN 0.172 nan 8.300 nan 0.000 0.462 64 P HA 0.020 nan 4.420 nan 0.000 0.221 64 P C -0.307 176.890 177.300 -0.171 0.000 1.150 64 P CA 1.040 63.926 63.100 -0.357 0.000 0.800 64 P CB 0.395 32.125 31.700 0.050 0.000 0.787 65 A N -1.120 121.610 122.820 -0.150 0.000 2.549 65 A HA 0.552 4.883 4.320 0.018 0.000 0.297 65 A C -2.226 175.249 177.584 -0.182 0.000 1.061 65 A CA -1.458 50.520 52.037 -0.098 0.000 0.690 65 A CB 0.816 19.808 19.000 -0.012 0.000 1.287 65 A HN -0.228 nan 8.150 nan 0.000 0.402 66 P HA -0.184 nan 4.420 nan 0.000 0.221 66 P C 0.784 177.942 177.300 -0.235 0.000 1.145 66 P CA 1.520 64.453 63.100 -0.278 0.000 0.795 66 P CB 0.163 31.635 31.700 -0.380 0.000 0.775 67 E N 0.358 120.477 120.200 -0.135 0.000 2.208 67 E HA -0.032 4.329 4.350 0.018 0.000 0.193 67 E C 1.755 178.254 176.600 -0.168 0.000 0.988 67 E CA 1.003 57.347 56.400 -0.094 0.000 0.828 67 E CB -0.824 28.872 29.700 -0.006 0.000 0.763 67 E HN 0.219 nan 8.360 nan 0.000 0.478 68 A N 1.722 124.411 122.820 -0.218 0.000 2.259 68 A HA 0.190 4.521 4.320 0.018 0.000 0.208 68 A C 0.938 178.157 177.584 -0.608 0.000 1.201 68 A CA -0.152 51.741 52.037 -0.240 0.000 0.824 68 A CB -0.134 18.838 19.000 -0.046 0.000 0.838 68 A HN 0.032 nan 8.150 nan 0.000 0.485 69 V N 1.680 121.078 119.914 -0.860 0.000 2.583 69 V HA 0.269 4.400 4.120 0.018 0.000 0.287 69 V C -2.374 173.389 176.094 -0.551 0.000 1.051 69 V CA -1.554 59.999 62.300 -1.245 0.000 1.010 69 V CB 1.037 32.106 31.823 -1.255 0.000 0.988 69 V HN 0.247 nan 8.190 nan 0.000 0.478 70 P HA 0.363 nan 4.420 nan 0.000 0.290 70 P C 0.376 177.647 177.300 -0.049 0.000 1.276 70 P CA -0.531 62.488 63.100 -0.135 0.000 0.808 70 P CB 1.309 32.984 31.700 -0.042 0.000 0.966 71 E N 1.382 121.547 120.200 -0.059 0.000 2.219 71 E HA -0.227 4.134 4.350 0.018 0.000 0.198 71 E C 1.773 178.347 176.600 -0.043 0.000 0.998 71 E CA 2.023 58.385 56.400 -0.062 0.000 0.818 71 E CB -0.203 29.458 29.700 -0.064 0.000 0.741 71 E HN 0.519 nan 8.360 nan 0.000 0.477 72 S N -0.483 115.216 115.700 -0.002 0.000 2.359 72 S HA -0.249 4.231 4.470 0.018 0.000 0.224 72 S C 1.823 176.434 174.600 0.018 0.000 1.035 72 S CA 1.030 59.234 58.200 0.006 0.000 1.018 72 S CB -1.018 62.199 63.200 0.028 0.000 0.876 72 S HN 0.598 nan 8.310 nan 0.000 0.448 73 W N 2.720 123.949 121.300 -0.119 0.000 2.274 73 W HA -0.234 4.437 4.660 0.018 0.000 0.314 73 W C 1.730 178.162 176.519 -0.145 0.000 1.254 73 W CA 1.869 59.145 57.345 -0.115 0.000 1.265 73 W CB -0.730 28.641 29.460 -0.149 0.000 1.141 73 W HN 0.353 nan 8.180 nan 0.000 0.505 74 L N -0.317 120.669 121.223 -0.396 0.000 2.191 74 L HA -0.156 4.195 4.340 0.018 0.000 0.212 74 L C 2.108 178.742 176.870 -0.394 0.000 1.103 74 L CA 1.799 56.266 54.840 -0.621 0.000 0.769 74 L CB -0.715 40.975 42.059 -0.615 0.000 0.908 74 L HN 0.001 nan 8.230 nan 0.000 0.438 75 E N -2.367 117.687 120.200 -0.243 0.000 2.434 75 E HA 0.146 4.507 4.350 0.018 0.000 0.207 75 E C -0.390 176.138 176.600 -0.119 0.000 0.929 75 E CA -0.045 56.262 56.400 -0.154 0.000 1.001 75 E CB 1.027 30.668 29.700 -0.098 0.000 1.016 75 E HN 0.231 nan 8.360 nan 0.000 0.502 76 C N 1.174 120.413 119.300 -0.102 0.000 2.891 76 C HA 0.261 4.732 4.460 0.018 0.000 0.342 76 C C -1.237 173.754 174.990 0.001 0.000 1.126 76 C CA -1.244 57.744 59.018 -0.051 0.000 1.322 76 C CB 0.794 28.518 27.740 -0.026 0.000 1.763 76 C HN 0.252 nan 8.230 nan 0.000 0.491 77 D N 1.847 122.257 120.400 0.016 0.000 2.461 77 D HA 0.120 4.771 4.640 0.018 0.000 0.231 77 D C -0.326 176.044 176.300 0.116 0.000 1.208 77 D CA 0.883 54.934 54.000 0.086 0.000 0.879 77 D CB 0.448 41.295 40.800 0.078 0.000 1.220 77 D HN 0.423 nan 8.370 nan 0.000 0.480 78 L N 2.945 124.263 121.223 0.158 0.000 2.295 78 L HA 0.227 4.577 4.340 0.018 0.000 0.281 78 L C -1.396 175.524 176.870 0.084 0.000 1.018 78 L CA -1.776 53.141 54.840 0.129 0.000 0.841 78 L CB 1.669 43.823 42.059 0.157 0.000 1.218 78 L HN 0.188 nan 8.230 nan 0.000 0.424 79 P HA -0.268 nan 4.420 nan 0.000 0.225 79 P C 0.410 177.735 177.300 0.042 0.000 1.155 79 P CA 1.570 64.699 63.100 0.047 0.000 0.863 79 P CB 0.188 31.911 31.700 0.039 0.000 0.774 80 E N -2.205 118.019 120.200 0.039 0.000 2.603 80 E HA 0.415 4.776 4.350 0.018 0.000 0.211 80 E C 0.419 177.034 176.600 0.025 0.000 0.995 80 E CA -0.319 56.096 56.400 0.026 0.000 0.990 80 E CB -0.272 29.434 29.700 0.009 0.000 1.036 80 E HN 0.127 nan 8.360 nan 0.000 0.475 81 A N 1.433 124.279 122.820 0.044 0.000 2.409 81 A HA 0.355 4.686 4.320 0.018 0.000 0.262 81 A C -0.548 177.095 177.584 0.099 0.000 1.113 81 A CA -0.636 51.433 52.037 0.054 0.000 0.790 81 A CB 0.107 19.162 19.000 0.092 0.000 1.046 81 A HN 0.057 nan 8.150 nan 0.000 0.496 82 D N 1.128 121.617 120.400 0.147 0.000 2.283 82 D HA 0.418 5.069 4.640 0.018 0.000 0.248 82 D C -0.018 176.398 176.300 0.193 0.000 1.072 82 D CA 0.032 54.139 54.000 0.179 0.000 0.929 82 D CB 0.570 41.516 40.800 0.243 0.000 1.182 82 D HN 0.311 nan 8.370 nan 0.000 0.433 83 T N 0.851 115.493 114.554 0.148 0.000 2.794 83 T HA 0.403 4.764 4.350 0.018 0.000 0.296 83 T C -0.487 174.309 174.700 0.161 0.000 0.949 83 T CA -0.230 61.964 62.100 0.157 0.000 1.101 83 T CB 0.268 69.206 68.868 0.116 0.000 0.905 83 T HN 0.069 nan 8.240 nan 0.000 0.516 84 V N 4.646 124.693 119.914 0.222 0.000 2.962 84 V HA 0.583 4.714 4.120 0.018 0.000 0.313 84 V C -0.326 175.918 176.094 0.250 0.000 1.099 84 V CA -0.806 61.617 62.300 0.206 0.000 0.971 84 V CB 2.455 34.412 31.823 0.222 0.000 1.028 84 V HN 0.606 nan 8.190 nan 0.000 0.430 85 V N 4.742 124.800 119.914 0.240 0.000 2.481 85 V HA 0.679 4.810 4.120 0.018 0.000 0.286 85 V C -0.688 175.506 176.094 0.166 0.000 1.042 85 V CA 0.040 62.465 62.300 0.209 0.000 0.928 85 V CB 1.795 33.698 31.823 0.133 0.000 0.986 85 V HN 0.614 nan 8.190 nan 0.000 0.462 86 V N 8.946 128.892 119.914 0.053 0.000 2.531 86 V HA 0.524 4.655 4.120 0.018 0.000 0.301 86 V C -2.331 173.667 176.094 -0.160 0.000 1.034 86 V CA -1.613 60.584 62.300 -0.172 0.000 0.865 86 V CB 2.348 33.796 31.823 -0.626 0.000 0.995 86 V HN 0.882 nan 8.190 nan 0.000 0.424 87 P HA 0.472 nan 4.420 nan 0.000 0.278 87 P C -0.805 176.416 177.300 -0.132 0.000 1.238 87 P CA -0.092 62.900 63.100 -0.179 0.000 0.794 87 P CB 1.380 32.986 31.700 -0.157 0.000 0.955 88 S N 0.625 116.242 115.700 -0.137 0.000 2.595 88 S HA 0.389 4.870 4.470 0.018 0.000 0.270 88 S C -1.307 173.168 174.600 -0.208 0.000 1.145 88 S CA -0.988 57.085 58.200 -0.213 0.000 0.825 88 S CB 0.391 63.380 63.200 -0.352 0.000 1.107 88 S HN 0.267 nan 8.310 nan 0.000 0.461 89 N N 1.475 119.996 118.700 -0.297 0.000 2.485 89 N HA 0.382 5.133 4.740 0.018 0.000 0.243 89 N C 0.654 175.963 175.510 -0.336 0.000 0.987 89 N CA -0.712 52.158 53.050 -0.301 0.000 0.940 89 N CB 0.492 38.804 38.487 -0.292 0.000 1.122 89 N HN 0.801 nan 8.380 nan 0.000 0.509 90 W N 3.098 124.215 121.300 -0.306 0.000 2.321 90 W HA -0.229 4.442 4.660 0.019 0.000 0.285 90 W C 1.009 177.506 176.519 -0.038 0.000 1.213 90 W CA 1.105 58.246 57.345 -0.340 0.000 1.205 90 W CB -0.540 28.633 29.460 -0.478 0.000 1.134 90 W HN 0.521 nan 8.180 nan 0.000 0.549 91 Q N 0.082 119.875 119.800 -0.012 0.000 2.170 91 Q HA -0.126 4.224 4.340 0.018 0.000 0.203 91 Q C 2.006 178.026 176.000 0.032 0.000 0.976 91 Q CA 1.996 57.825 55.803 0.043 0.000 0.858 91 Q CB -0.495 28.136 28.738 -0.177 0.000 0.907 91 Q HN 0.221 nan 8.270 nan 0.000 0.433 92 M N -0.754 118.817 119.600 -0.048 0.000 2.633 92 M HA 0.030 4.521 4.480 0.018 0.000 0.226 92 M C 0.282 176.746 176.300 0.272 0.000 1.137 92 M CA 1.121 56.430 55.300 0.014 0.000 1.020 92 M CB -0.564 32.004 32.600 -0.052 0.000 1.675 92 M HN 0.341 nan 8.290 nan 0.000 0.500 93 H N -1.863 117.278 119.070 0.118 0.000 3.255 93 H HA 0.347 4.914 4.556 0.018 0.000 0.256 93 H C 1.509 176.821 175.328 -0.026 0.000 1.049 93 H CA 0.309 56.440 56.048 0.138 0.000 1.202 93 H CB 1.334 31.282 29.762 0.309 0.000 1.497 93 H HN 0.479 nan 8.280 nan 0.000 0.503 94 G N 0.309 109.156 108.800 0.079 0.000 2.909 94 G HA2 -0.319 3.652 3.960 0.018 0.000 0.198 94 G HA3 -0.319 3.652 3.960 0.018 0.000 0.198 94 G C 0.481 175.201 174.900 -0.300 0.000 1.124 94 G CA 0.081 45.063 45.100 -0.197 0.000 0.796 94 G HN 0.293 nan 8.290 nan 0.000 0.489 95 Y N 2.582 122.804 120.300 -0.129 0.000 2.110 95 Y HA -0.125 4.436 4.550 0.018 0.000 0.258 95 Y C 1.713 177.232 175.900 -0.634 0.000 1.271 95 Y CA 2.355 60.158 58.100 -0.495 0.000 1.080 95 Y CB -0.575 37.576 38.460 -0.515 0.000 0.892 95 Y HN 0.691 nan 8.280 nan 0.000 0.510 96 D N -2.685 117.706 120.400 -0.015 0.000 2.626 96 D HA 0.606 5.257 4.640 0.018 0.000 0.278 96 D C -1.153 175.253 176.300 0.178 0.000 1.211 96 D CA -0.501 53.558 54.000 0.098 0.000 0.903 96 D CB 1.087 42.119 40.800 0.386 0.000 1.408 96 D HN 0.192 nan 8.370 nan 0.000 0.454 97 A N -0.229 122.704 122.820 0.189 0.000 2.293 97 A HA 0.756 5.087 4.320 0.018 0.000 0.302 97 A C -2.453 175.223 177.584 0.153 0.000 1.119 97 A CA -1.241 50.907 52.037 0.185 0.000 0.823 97 A CB 0.289 19.451 19.000 0.271 0.000 1.097 97 A HN 0.510 nan 8.150 nan 0.000 0.491 98 P HA 0.605 nan 4.420 nan 0.000 0.284 98 P C -1.114 176.352 177.300 0.276 0.000 1.258 98 P CA -0.241 62.876 63.100 0.029 0.000 0.824 98 P CB 0.956 32.500 31.700 -0.260 0.000 1.038 99 I N 1.745 122.551 120.570 0.393 0.000 2.465 99 I HA 0.282 4.463 4.170 0.018 0.000 0.291 99 I C -0.587 175.752 176.117 0.371 0.000 1.014 99 I CA -0.709 60.835 61.300 0.407 0.000 1.093 99 I CB 1.520 39.672 38.000 0.254 0.000 1.267 99 I HN 0.263 nan 8.210 nan 0.000 0.431 100 Y N 5.763 126.099 120.300 0.060 0.000 2.721 100 Y HA 0.594 5.154 4.550 0.018 0.000 0.328 100 Y C -0.307 175.442 175.900 -0.251 0.000 1.003 100 Y CA -0.262 57.536 58.100 -0.503 0.000 1.275 100 Y CB 0.898 38.256 38.460 -1.836 0.000 1.097 100 Y HN 0.597 nan 8.280 nan 0.000 0.514 101 T N 4.532 118.554 114.554 -0.886 0.000 2.888 101 T HA 0.241 4.601 4.350 0.018 0.000 0.284 101 T C 0.467 174.633 174.700 -0.890 0.000 1.017 101 T CA -0.498 61.165 62.100 -0.729 0.000 1.022 101 T CB 1.271 69.939 68.868 -0.334 0.000 1.013 101 T HN 0.908 nan 8.240 nan 0.000 0.465 102 N N 2.095 120.382 118.700 -0.689 0.000 2.335 102 N HA 0.021 4.771 4.740 0.018 0.000 0.197 102 N C 1.447 176.662 175.510 -0.493 0.000 1.045 102 N CA 0.406 53.144 53.050 -0.520 0.000 0.928 102 N CB 0.191 38.423 38.487 -0.424 0.000 1.118 102 N HN 0.334 nan 8.380 nan 0.000 0.471 103 V N 0.836 120.408 119.914 -0.571 0.000 2.391 103 V HA 0.027 4.158 4.120 0.018 0.000 0.237 103 V C 0.563 176.374 176.094 -0.473 0.000 1.046 103 V CA 0.837 62.729 62.300 -0.681 0.000 1.053 103 V CB -0.561 30.760 31.823 -0.836 0.000 0.704 103 V HN 0.355 nan 8.190 nan 0.000 0.475 104 T N 1.373 115.723 114.554 -0.341 0.000 2.765 104 T HA -0.043 4.318 4.350 0.018 0.000 0.275 104 T C -0.372 174.241 174.700 -0.145 0.000 1.007 104 T CA 0.583 62.568 62.100 -0.192 0.000 1.175 104 T CB -0.602 68.171 68.868 -0.157 0.000 0.993 104 T HN 0.204 nan 8.240 nan 0.000 0.510 105 Y N 5.656 125.859 120.300 -0.162 0.000 2.610 105 Y HA 0.088 4.648 4.550 0.018 0.000 0.332 105 Y C -0.778 175.006 175.900 -0.193 0.000 1.201 105 Y CA -1.782 56.214 58.100 -0.173 0.000 1.465 105 Y CB 0.604 38.962 38.460 -0.171 0.000 1.283 105 Y HN 0.543 nan 8.280 nan 0.000 0.563 106 P HA -0.202 nan 4.420 nan 0.000 0.216 106 P C 0.002 177.178 177.300 -0.207 0.000 1.153 106 P CA 1.604 64.646 63.100 -0.097 0.000 0.858 106 P CB -0.033 31.640 31.700 -0.046 0.000 0.789 107 I N -4.243 116.095 120.570 -0.387 0.000 2.793 107 I HA 0.447 4.628 4.170 0.018 0.000 0.313 107 I C -0.236 175.732 176.117 -0.248 0.000 0.998 107 I CA -1.176 59.861 61.300 -0.438 0.000 1.140 107 I CB 0.993 38.510 38.000 -0.805 0.000 1.327 107 I HN -0.355 nan 8.210 nan 0.000 0.491 108 T N 2.553 117.012 114.554 -0.160 0.000 2.934 108 T HA 0.221 4.582 4.350 0.018 0.000 0.306 108 T C 0.214 174.880 174.700 -0.057 0.000 1.042 108 T CA -0.601 61.456 62.100 -0.072 0.000 1.145 108 T CB 0.411 69.267 68.868 -0.020 0.000 0.982 108 T HN 0.439 nan 8.240 nan 0.000 0.544 109 V N 3.287 123.185 119.914 -0.026 0.000 2.356 109 V HA 0.391 4.522 4.120 0.018 0.000 0.258 109 V C 0.469 176.605 176.094 0.070 0.000 1.065 109 V CA -0.578 61.737 62.300 0.025 0.000 0.935 109 V CB -0.309 31.494 31.823 -0.033 0.000 1.061 109 V HN 0.959 nan 8.190 nan 0.000 0.484 110 N N 5.357 124.151 118.700 0.157 0.000 2.884 110 N HA 0.290 5.041 4.740 0.018 0.000 0.211 110 N C -3.077 172.523 175.510 0.151 0.000 1.442 110 N CA -0.889 52.251 53.050 0.150 0.000 0.757 110 N CB 1.805 40.421 38.487 0.215 0.000 1.461 110 N HN 0.313 nan 8.380 nan 0.000 0.557 111 P HA 0.251 nan 4.420 nan 0.000 0.268 111 P C -2.390 174.620 177.300 -0.483 0.000 1.205 111 P CA -0.989 61.731 63.100 -0.634 0.000 0.771 111 P CB 0.464 31.602 31.700 -0.936 0.000 0.858 112 P HA 0.272 nan 4.420 nan 0.000 0.241 112 P C -0.821 176.190 177.300 -0.482 0.000 1.783 112 P CA -0.375 62.397 63.100 -0.547 0.000 1.052 112 P CB -0.353 31.097 31.700 -0.417 0.000 1.594 113 F N -0.417 119.625 119.950 0.152 0.000 2.384 113 F HA 0.292 4.831 4.527 0.019 0.000 0.338 113 F C 1.166 177.138 175.800 0.287 0.000 1.103 113 F CA -0.955 57.158 58.000 0.188 0.000 1.157 113 F CB 0.767 39.827 39.000 0.101 0.000 1.167 113 F HN -0.265 nan 8.300 nan 0.000 0.529 114 V N 2.346 122.531 119.914 0.452 0.000 3.109 114 V HA 0.389 4.520 4.120 0.018 0.000 0.317 114 V C -1.947 174.318 176.094 0.284 0.000 1.074 114 V CA -1.885 60.630 62.300 0.357 0.000 1.033 114 V CB 1.222 33.378 31.823 0.555 0.000 1.111 114 V HN 0.528 nan 8.190 nan 0.000 0.458 115 P HA 0.219 nan 4.420 nan 0.000 0.274 115 P C 0.705 178.147 177.300 0.236 0.000 1.246 115 P CA -0.031 63.162 63.100 0.154 0.000 0.795 115 P CB 0.464 32.219 31.700 0.093 0.000 1.006 116 T N -1.635 113.026 114.554 0.178 0.000 2.978 116 T HA -0.037 4.324 4.350 0.018 0.000 0.262 116 T C 0.095 174.897 174.700 0.169 0.000 1.063 116 T CA 0.961 63.165 62.100 0.173 0.000 1.140 116 T CB -0.355 68.588 68.868 0.123 0.000 0.886 116 T HN 0.406 nan 8.240 nan 0.000 0.470 117 E N 3.024 123.331 120.200 0.179 0.000 1.936 117 E HA 0.329 4.690 4.350 0.018 0.000 0.267 117 E C -0.383 176.374 176.600 0.263 0.000 1.076 117 E CA -0.324 56.187 56.400 0.185 0.000 0.870 117 E CB -0.239 29.576 29.700 0.192 0.000 1.093 117 E HN 0.480 nan 8.360 nan 0.000 0.411 118 N N 2.620 121.438 118.700 0.197 0.000 2.898 118 N HA 0.237 4.988 4.740 0.018 0.000 0.245 118 N C -2.574 172.942 175.510 0.010 0.000 1.185 118 N CA -2.303 50.888 53.050 0.235 0.000 0.879 118 N CB 0.601 39.424 38.487 0.559 0.000 1.157 118 N HN -0.016 nan 8.380 nan 0.000 0.503 119 P HA -0.076 nan 4.420 nan 0.000 0.255 119 P C -0.851 176.312 177.300 -0.229 0.000 1.141 119 P CA 0.627 63.605 63.100 -0.203 0.000 0.767 119 P CB 0.233 32.130 31.700 0.328 0.000 0.726 120 T N 2.756 116.936 114.554 -0.623 0.000 2.807 120 T HA 0.610 4.971 4.350 0.018 0.000 0.279 120 T C 0.382 174.639 174.700 -0.739 0.000 0.993 120 T CA -0.569 61.266 62.100 -0.442 0.000 0.970 120 T CB 1.888 70.546 68.868 -0.350 0.000 0.950 120 T HN 0.378 nan 8.240 nan 0.000 0.441 121 G N 0.877 109.402 108.800 -0.457 0.000 2.417 121 G HA2 0.516 4.486 3.960 0.018 0.000 0.320 121 G HA3 0.516 4.486 3.960 0.018 0.000 0.320 121 G C -0.378 174.428 174.900 -0.156 0.000 1.204 121 G CA -0.542 44.273 45.100 -0.475 0.000 0.923 121 G HN 0.932 nan 8.290 nan 0.000 0.466 122 C N 2.853 121.789 119.300 -0.606 0.000 2.251 122 C HA 0.515 4.986 4.460 0.018 0.000 0.323 122 C C -0.681 174.410 174.990 0.168 0.000 1.241 122 C CA -1.400 57.467 59.018 -0.252 0.000 1.601 122 C CB -1.460 25.595 27.740 -1.141 0.000 2.251 122 C HN 0.594 nan 8.230 nan 0.000 0.488 123 Y N 1.673 122.297 120.300 0.540 0.000 2.334 123 Y HA 0.592 5.153 4.550 0.018 0.000 0.328 123 Y C 0.839 177.220 175.900 0.801 0.000 1.130 123 Y CA -0.447 58.098 58.100 0.741 0.000 1.163 123 Y CB 1.132 40.056 38.460 0.773 0.000 1.207 123 Y HN 0.707 nan 8.280 nan 0.000 0.471 124 S N 3.136 119.325 115.700 0.814 0.000 2.549 124 S HA 0.834 5.315 4.470 0.018 0.000 0.280 124 S C -1.505 173.093 174.600 -0.004 0.000 1.109 124 S CA -0.873 57.555 58.200 0.380 0.000 0.905 124 S CB 2.389 65.762 63.200 0.288 0.000 1.081 124 S HN 0.607 nan 8.310 nan 0.000 0.477 125 L N 1.209 122.287 121.223 -0.241 0.000 2.641 125 L HA 0.555 4.906 4.340 0.018 0.000 0.261 125 L C -1.472 175.373 176.870 -0.043 0.000 0.926 125 L CA 0.035 54.622 54.840 -0.422 0.000 0.917 125 L CB 2.058 43.358 42.059 -1.265 0.000 1.361 125 L HN 0.811 nan 8.230 nan 0.000 0.417 126 T N 5.191 119.736 114.554 -0.014 0.000 2.767 126 T HA 0.789 5.150 4.350 0.018 0.000 0.284 126 T C -0.749 173.985 174.700 0.056 0.000 0.973 126 T CA -0.149 61.928 62.100 -0.038 0.000 0.996 126 T CB 0.532 69.359 68.868 -0.068 0.000 0.927 126 T HN 0.467 nan 8.240 nan 0.000 0.456 127 F N 0.075 119.953 119.950 -0.120 0.000 2.713 127 F HA 0.698 5.236 4.527 0.018 0.000 0.311 127 F C -1.053 174.694 175.800 -0.088 0.000 1.141 127 F CA -1.612 56.322 58.000 -0.109 0.000 0.939 127 F CB 1.024 39.950 39.000 -0.123 0.000 1.325 127 F HN 0.301 nan 8.300 nan 0.000 0.453 128 N N -0.144 118.558 118.700 0.004 0.000 2.482 128 N HA 0.717 5.468 4.740 0.018 0.000 0.279 128 N C -1.652 173.856 175.510 -0.004 0.000 1.182 128 N CA -0.910 52.093 53.050 -0.079 0.000 0.969 128 N CB 2.152 40.593 38.487 -0.077 0.000 1.201 128 N HN 0.553 nan 8.380 nan 0.000 0.523 129 V N 0.467 120.333 119.914 -0.081 0.000 2.524 129 V HA 0.161 4.292 4.120 0.018 0.000 0.297 129 V C -0.776 175.238 176.094 -0.134 0.000 1.035 129 V CA -0.901 61.347 62.300 -0.087 0.000 0.867 129 V CB 1.463 33.297 31.823 0.018 0.000 1.004 129 V HN 0.739 nan 8.190 nan 0.000 0.426 130 D N 3.464 123.703 120.400 -0.268 0.000 2.525 130 D HA -0.046 4.605 4.640 0.018 0.000 0.235 130 D C 1.438 177.682 176.300 -0.093 0.000 1.137 130 D CA 0.363 54.225 54.000 -0.229 0.000 0.868 130 D CB 1.150 41.704 40.800 -0.410 0.000 1.180 130 D HN 0.827 nan 8.370 nan 0.000 0.465 131 E N 1.648 121.825 120.200 -0.037 0.000 2.409 131 E HA -0.186 4.174 4.350 0.018 0.000 0.198 131 E C 1.498 178.132 176.600 0.058 0.000 1.024 131 E CA 0.780 57.188 56.400 0.014 0.000 0.861 131 E CB -0.085 29.618 29.700 0.005 0.000 0.788 131 E HN 0.355 nan 8.360 nan 0.000 0.521 132 S N 0.669 116.415 115.700 0.077 0.000 2.345 132 S HA -0.177 4.304 4.470 0.018 0.000 0.220 132 S C 1.479 176.183 174.600 0.172 0.000 1.031 132 S CA 0.846 59.129 58.200 0.137 0.000 0.996 132 S CB -0.594 62.709 63.200 0.173 0.000 0.882 132 S HN 0.540 nan 8.310 nan 0.000 0.445 133 W N 1.455 122.608 121.300 -0.244 0.000 2.389 133 W HA 0.049 4.720 4.660 0.018 0.000 0.267 133 W C 1.848 178.297 176.519 -0.116 0.000 1.219 133 W CA 0.622 57.709 57.345 -0.432 0.000 1.189 133 W CB -0.744 28.548 29.460 -0.280 0.000 1.129 133 W HN 0.380 nan 8.180 nan 0.000 0.581 134 L N -1.796 119.538 121.223 0.185 0.000 2.286 134 L HA 0.042 4.393 4.340 0.018 0.000 0.203 134 L C 2.307 179.242 176.870 0.108 0.000 1.068 134 L CA 0.596 55.526 54.840 0.149 0.000 0.811 134 L CB -1.392 40.744 42.059 0.128 0.000 0.989 134 L HN -0.254 nan 8.230 nan 0.000 0.467 135 Q N 0.689 120.541 119.800 0.086 0.000 2.103 135 Q HA -0.221 4.130 4.340 0.018 0.000 0.213 135 Q C 0.726 176.770 176.000 0.074 0.000 1.008 135 Q CA 2.357 58.201 55.803 0.068 0.000 0.879 135 Q CB -0.055 28.719 28.738 0.059 0.000 0.946 135 Q HN 0.687 nan 8.270 nan 0.000 0.413 136 E N -3.025 117.233 120.200 0.096 0.000 2.446 136 E HA 0.529 4.890 4.350 0.018 0.000 0.267 136 E C 0.227 176.943 176.600 0.193 0.000 0.955 136 E CA -0.730 55.734 56.400 0.107 0.000 0.842 136 E CB 1.248 30.997 29.700 0.082 0.000 1.504 136 E HN 0.181 nan 8.360 nan 0.000 0.438 137 G N 0.323 109.183 108.800 0.099 0.000 2.562 137 G HA2 -0.241 3.730 3.960 0.018 0.000 0.250 137 G HA3 -0.241 3.730 3.960 0.018 0.000 0.250 137 G C -0.741 174.114 174.900 -0.076 0.000 1.269 137 G CA 0.281 45.336 45.100 -0.075 0.000 0.919 137 G HN 0.749 nan 8.290 nan 0.000 0.574 138 Q N -0.416 119.191 119.800 -0.321 0.000 2.309 138 Q HA 0.594 4.945 4.340 0.018 0.000 0.273 138 Q C -1.386 174.571 176.000 -0.072 0.000 1.040 138 Q CA -0.326 55.410 55.803 -0.113 0.000 0.834 138 Q CB 1.817 30.491 28.738 -0.108 0.000 1.345 138 Q HN 0.735 nan 8.270 nan 0.000 0.414 139 T N 4.579 119.206 114.554 0.121 0.000 2.772 139 T HA 0.594 4.955 4.350 0.018 0.000 0.288 139 T C -0.561 174.238 174.700 0.166 0.000 0.994 139 T CA -0.653 61.566 62.100 0.198 0.000 0.951 139 T CB 0.574 69.661 68.868 0.364 0.000 0.933 139 T HN 0.631 nan 8.240 nan 0.000 0.447 140 R N 2.620 123.200 120.500 0.133 0.000 2.854 140 R HA 0.794 5.144 4.340 0.018 0.000 0.271 140 R C -1.117 175.266 176.300 0.139 0.000 0.994 140 R CA -1.039 55.143 56.100 0.137 0.000 0.945 140 R CB 1.603 31.965 30.300 0.103 0.000 1.194 140 R HN 0.494 nan 8.270 nan 0.000 0.476 141 I N 1.846 122.524 120.570 0.179 0.000 2.707 141 I HA 0.534 4.715 4.170 0.018 0.000 0.309 141 I C -0.970 175.231 176.117 0.140 0.000 1.001 141 I CA -1.520 59.852 61.300 0.121 0.000 1.129 141 I CB 1.489 39.561 38.000 0.120 0.000 1.308 141 I HN 0.643 nan 8.210 nan 0.000 0.466 142 I N 5.145 125.649 120.570 -0.109 0.000 2.649 142 I HA 0.260 4.440 4.170 0.018 0.000 0.289 142 I C -1.627 174.309 176.117 -0.301 0.000 1.222 142 I CA -0.416 60.860 61.300 -0.040 0.000 1.046 142 I CB 1.951 39.921 38.000 -0.049 0.000 1.272 142 I HN 0.241 nan 8.210 nan 0.000 0.425 143 F N 3.479 123.405 119.950 -0.039 0.000 2.460 143 F HA 0.378 4.916 4.527 0.018 0.000 0.341 143 F C 0.971 176.655 175.800 -0.194 0.000 1.130 143 F CA -0.991 56.916 58.000 -0.155 0.000 0.962 143 F CB 0.930 39.787 39.000 -0.238 0.000 1.171 143 F HN 0.382 nan 8.300 nan 0.000 0.436 144 D N 2.229 122.565 120.400 -0.108 0.000 2.371 144 D HA 0.181 4.832 4.640 0.018 0.000 0.221 144 D C 0.846 176.978 176.300 -0.280 0.000 0.986 144 D CA 0.853 54.735 54.000 -0.197 0.000 0.899 144 D CB 0.413 41.042 40.800 -0.284 0.000 0.902 144 D HN 0.751 nan 8.370 nan 0.000 0.530 145 G N -0.473 108.118 108.800 -0.348 0.000 1.959 145 G HA2 0.300 4.271 3.960 0.018 0.000 0.289 145 G HA3 0.300 4.271 3.960 0.018 0.000 0.289 145 G C -1.391 173.151 174.900 -0.597 0.000 1.705 145 G CA -0.664 44.111 45.100 -0.542 0.000 0.913 145 G HN -0.043 nan 8.290 nan 0.000 0.686 146 V N 2.519 122.298 119.914 -0.224 0.000 2.487 146 V HA 0.678 4.809 4.120 0.018 0.000 0.298 146 V C -0.519 175.640 176.094 0.109 0.000 1.028 146 V CA -1.116 61.076 62.300 -0.180 0.000 0.860 146 V CB 1.918 33.345 31.823 -0.660 0.000 0.991 146 V HN 0.733 nan 8.190 nan 0.000 0.427 147 N N 2.308 121.087 118.700 0.132 0.000 2.399 147 N HA 0.312 5.063 4.740 0.018 0.000 0.284 147 N C 0.452 175.914 175.510 -0.079 0.000 1.025 147 N CA 0.038 53.112 53.050 0.042 0.000 0.885 147 N CB 2.383 40.810 38.487 -0.099 0.000 1.339 147 N HN 0.618 nan 8.380 nan 0.000 0.487 148 S N 1.983 117.662 115.700 -0.036 0.000 2.539 148 S HA 0.607 5.088 4.470 0.018 0.000 0.221 148 S C 0.125 174.795 174.600 0.116 0.000 0.987 148 S CA 0.273 58.502 58.200 0.049 0.000 0.929 148 S CB 0.048 63.287 63.200 0.065 0.000 0.832 148 S HN 0.775 nan 8.310 nan 0.000 0.492 149 A N 0.627 123.541 122.820 0.157 0.000 2.590 149 A HA 0.647 4.978 4.320 0.018 0.000 0.294 149 A C -1.249 176.498 177.584 0.272 0.000 1.046 149 A CA -0.856 51.251 52.037 0.116 0.000 0.684 149 A CB 0.395 19.468 19.000 0.122 0.000 1.279 149 A HN 1.220 nan 8.150 nan 0.000 0.415 150 F N -0.153 119.699 119.950 -0.164 0.000 2.719 150 F HA 0.791 5.329 4.527 0.018 0.000 0.309 150 F C -1.194 174.629 175.800 0.038 0.000 1.138 150 F CA -0.787 57.214 58.000 0.001 0.000 0.943 150 F CB 1.032 40.009 39.000 -0.038 0.000 1.304 150 F HN 0.661 nan 8.300 nan 0.000 0.445 151 H N 1.629 120.957 119.070 0.431 0.000 2.533 151 H HA 0.781 5.348 4.556 0.018 0.000 0.343 151 H C -1.466 174.006 175.328 0.239 0.000 1.160 151 H CA -0.715 55.500 56.048 0.278 0.000 1.218 151 H CB 2.365 32.283 29.762 0.260 0.000 1.566 151 H HN 0.782 nan 8.280 nan 0.000 0.522 152 L N 2.485 123.684 121.223 -0.040 0.000 2.436 152 L HA 0.381 4.732 4.340 0.018 0.000 0.268 152 L C -1.765 174.783 176.870 -0.538 0.000 0.974 152 L CA -0.518 54.231 54.840 -0.151 0.000 0.826 152 L CB 1.546 43.378 42.059 -0.378 0.000 1.291 152 L HN 0.516 nan 8.230 nan 0.000 0.406 153 W N 4.248 125.563 121.300 0.026 0.000 2.864 153 W HA 0.654 5.325 4.660 0.019 0.000 0.343 153 W C -1.085 175.421 176.519 -0.021 0.000 1.109 153 W CA -0.788 56.557 57.345 -0.000 0.000 1.192 153 W CB 2.072 31.555 29.460 0.038 0.000 1.426 153 W HN 0.663 nan 8.180 nan 0.000 0.529 154 C N 4.708 124.156 119.300 0.245 0.000 2.505 154 C HA 0.307 4.777 4.460 0.018 0.000 0.342 154 C C -0.085 175.051 174.990 0.243 0.000 1.121 154 C CA -0.433 58.707 59.018 0.203 0.000 1.306 154 C CB -0.670 27.153 27.740 0.139 0.000 1.897 154 C HN 0.800 nan 8.230 nan 0.000 0.446 155 N N 3.648 122.430 118.700 0.136 0.000 2.738 155 N HA -0.169 4.582 4.740 0.018 0.000 0.249 155 N C 0.964 176.534 175.510 0.100 0.000 1.047 155 N CA 2.110 55.206 53.050 0.076 0.000 0.707 155 N CB -1.296 37.232 38.487 0.069 0.000 0.937 155 N HN 2.049 nan 8.380 nan 0.000 0.545 156 G N -0.973 107.876 108.800 0.082 0.000 2.186 156 G HA2 -0.391 3.579 3.960 0.018 0.000 0.266 156 G HA3 -0.391 3.579 3.960 0.018 0.000 0.266 156 G C 0.245 175.295 174.900 0.249 0.000 0.982 156 G CA 0.932 46.066 45.100 0.056 0.000 0.670 156 G HN 0.612 nan 8.290 nan 0.000 0.533 157 R N -1.328 119.397 120.500 0.374 0.000 2.407 157 R HA 0.431 4.782 4.340 0.018 0.000 0.303 157 R C -0.278 176.354 176.300 0.554 0.000 0.981 157 R CA -0.953 55.442 56.100 0.491 0.000 0.905 157 R CB 0.846 31.428 30.300 0.470 0.000 1.099 157 R HN 0.226 nan 8.270 nan 0.000 0.459 158 W N 4.456 125.939 121.300 0.305 0.000 2.356 158 W HA 0.127 4.798 4.660 0.018 0.000 0.311 158 W C 0.141 176.500 176.519 -0.266 0.000 1.328 158 W CA -0.210 56.923 57.345 -0.353 0.000 1.251 158 W CB 0.657 29.893 29.460 -0.373 0.000 1.280 158 W HN 0.388 nan 8.180 nan 0.000 0.524 159 V N 5.332 124.321 119.914 -1.541 0.000 2.484 159 V HA 0.596 4.727 4.120 0.018 0.000 0.236 159 V C 1.095 176.074 176.094 -1.858 0.000 1.062 159 V CA 0.925 62.351 62.300 -1.456 0.000 1.081 159 V CB -1.184 29.960 31.823 -1.130 0.000 0.751 159 V HN 0.755 nan 8.190 nan 0.000 0.484 160 G N -1.911 105.737 108.800 -1.919 0.000 2.488 160 G HA2 0.497 4.468 3.960 0.018 0.000 0.301 160 G HA3 0.497 4.468 3.960 0.018 0.000 0.301 160 G C -2.525 172.112 174.900 -0.438 0.000 1.339 160 G CA -0.404 44.042 45.100 -1.089 0.000 0.803 160 G HN 0.083 nan 8.290 nan 0.000 0.482 161 Y N -0.256 119.928 120.300 -0.194 0.000 2.512 161 Y HA 0.731 5.292 4.550 0.018 0.000 0.348 161 Y C 0.064 175.734 175.900 -0.383 0.000 0.990 161 Y CA -0.443 57.437 58.100 -0.368 0.000 1.033 161 Y CB 2.407 40.780 38.460 -0.145 0.000 1.259 161 Y HN 1.013 nan 8.280 nan 0.000 0.461 162 G N 4.314 112.302 108.800 -1.353 0.000 2.701 162 G HA2 0.556 4.527 3.960 0.018 0.000 0.300 162 G HA3 0.556 4.527 3.960 0.018 0.000 0.300 162 G C -1.987 172.380 174.900 -0.888 0.000 1.410 162 G CA -0.818 43.716 45.100 -0.943 0.000 1.014 162 G HN 0.572 nan 8.290 nan 0.000 0.509 163 Q N 0.422 119.931 119.800 -0.486 0.000 2.387 163 Q HA 0.572 4.923 4.340 0.018 0.000 0.273 163 Q C -1.338 174.619 176.000 -0.071 0.000 1.089 163 Q CA -0.745 54.913 55.803 -0.240 0.000 0.824 163 Q CB 2.707 31.337 28.738 -0.181 0.000 1.367 163 Q HN 0.609 nan 8.270 nan 0.000 0.443 164 D N 0.227 120.639 120.400 0.019 0.000 3.033 164 D HA -0.105 4.546 4.640 0.018 0.000 0.169 164 D C 0.163 176.517 176.300 0.090 0.000 1.048 164 D CA 0.462 54.496 54.000 0.056 0.000 0.907 164 D CB -0.837 39.986 40.800 0.038 0.000 0.751 164 D HN 0.478 nan 8.370 nan 0.000 0.396 165 S N 1.231 116.999 115.700 0.115 0.000 2.380 165 S HA -0.216 4.265 4.470 0.018 0.000 0.229 165 S C 1.565 176.294 174.600 0.215 0.000 1.043 165 S CA 1.298 59.594 58.200 0.161 0.000 1.038 165 S CB 0.124 63.384 63.200 0.099 0.000 0.872 165 S HN 0.420 nan 8.310 nan 0.000 0.456 166 R N 0.271 120.870 120.500 0.166 0.000 2.356 166 R HA 0.432 4.783 4.340 0.018 0.000 0.234 166 R C -0.313 176.059 176.300 0.120 0.000 0.929 166 R CA 0.045 56.257 56.100 0.186 0.000 1.084 166 R CB -0.575 29.861 30.300 0.228 0.000 1.105 166 R HN 0.392 nan 8.270 nan 0.000 0.515 167 L N 0.658 121.920 121.223 0.064 0.000 2.393 167 L HA 0.467 4.818 4.340 0.018 0.000 0.260 167 L C -2.433 174.425 176.870 -0.020 0.000 1.002 167 L CA -2.466 52.383 54.840 0.015 0.000 0.818 167 L CB 2.896 44.958 42.059 0.004 0.000 1.369 167 L HN -0.219 nan 8.230 nan 0.000 0.412 168 P HA 0.057 nan 4.420 nan 0.000 0.264 168 P C -0.987 176.286 177.300 -0.045 0.000 1.193 168 P CA 0.119 63.189 63.100 -0.049 0.000 0.763 168 P CB 0.595 32.234 31.700 -0.103 0.000 0.810 169 S N 2.474 118.195 115.700 0.035 0.000 2.475 169 S HA 0.435 4.916 4.470 0.018 0.000 0.298 169 S C -0.291 174.282 174.600 -0.045 0.000 1.119 169 S CA -0.661 57.503 58.200 -0.060 0.000 1.085 169 S CB 1.114 64.429 63.200 0.192 0.000 1.028 169 S HN 0.388 nan 8.310 nan 0.000 0.489 170 E N 1.254 121.203 120.200 -0.417 0.000 2.356 170 E HA 0.615 4.976 4.350 0.018 0.000 0.275 170 E C -1.592 174.726 176.600 -0.469 0.000 0.904 170 E CA -0.606 55.680 56.400 -0.189 0.000 0.757 170 E CB 1.910 31.595 29.700 -0.026 0.000 1.232 170 E HN 0.439 nan 8.360 nan 0.000 0.442 171 F N 0.183 120.193 119.950 0.100 0.000 2.631 171 F HA 0.232 4.771 4.527 0.019 0.000 0.308 171 F C -0.478 175.332 175.800 0.017 0.000 1.097 171 F CA -1.044 56.970 58.000 0.023 0.000 0.952 171 F CB 1.702 40.693 39.000 -0.016 0.000 1.307 171 F HN 0.278 nan 8.300 nan 0.000 0.450 172 D N 2.306 122.820 120.400 0.190 0.000 2.411 172 D HA 0.300 4.951 4.640 0.018 0.000 0.225 172 D C 0.521 176.888 176.300 0.113 0.000 1.156 172 D CA 0.246 54.327 54.000 0.134 0.000 0.874 172 D CB 0.809 41.681 40.800 0.120 0.000 1.034 172 D HN 0.527 nan 8.370 nan 0.000 0.502 173 L N 2.062 123.371 121.223 0.143 0.000 2.492 173 L HA -0.049 4.302 4.340 0.018 0.000 0.223 173 L C 2.081 179.179 176.870 0.379 0.000 1.132 173 L CA 0.048 54.999 54.840 0.184 0.000 0.850 173 L CB -0.060 42.115 42.059 0.192 0.000 0.966 173 L HN 0.272 nan 8.230 nan 0.000 0.454 174 S N 0.769 116.645 115.700 0.293 0.000 2.453 174 S HA -0.265 4.216 4.470 0.018 0.000 0.250 174 S C 1.364 176.104 174.600 0.233 0.000 1.044 174 S CA 1.567 59.915 58.200 0.246 0.000 1.010 174 S CB -0.244 63.060 63.200 0.174 0.000 0.793 174 S HN 0.562 nan 8.310 nan 0.000 0.493 175 A N -1.138 121.877 122.820 0.324 0.000 2.585 175 A HA 0.652 4.983 4.320 0.018 0.000 0.281 175 A C 0.364 177.800 177.584 -0.246 0.000 0.945 175 A CA -0.451 51.612 52.037 0.043 0.000 1.031 175 A CB 0.201 19.157 19.000 -0.072 0.000 1.221 175 A HN 0.334 nan 8.150 nan 0.000 0.496 176 F N -0.786 119.202 119.950 0.064 0.000 2.778 176 F HA 0.390 4.928 4.527 0.018 0.000 0.314 176 F C 0.719 176.550 175.800 0.052 0.000 1.073 176 F CA -0.277 57.756 58.000 0.056 0.000 1.218 176 F CB 0.173 39.209 39.000 0.061 0.000 1.037 176 F HN 0.079 nan 8.300 nan 0.000 0.594 177 L N 2.677 124.058 121.223 0.263 0.000 2.439 177 L HA 0.327 4.677 4.340 0.018 0.000 0.269 177 L C 0.412 177.329 176.870 0.078 0.000 1.179 177 L CA -0.136 54.805 54.840 0.168 0.000 0.828 177 L CB 0.717 42.903 42.059 0.211 0.000 1.106 177 L HN 0.150 nan 8.230 nan 0.000 0.467 178 R N 2.134 122.648 120.500 0.022 0.000 2.888 178 R HA 0.807 5.158 4.340 0.018 0.000 0.264 178 R C -0.907 175.378 176.300 -0.024 0.000 1.045 178 R CA -0.966 55.129 56.100 -0.009 0.000 0.962 178 R CB 1.338 31.618 30.300 -0.034 0.000 1.210 178 R HN 0.514 nan 8.270 nan 0.000 0.479 179 A N 0.744 123.549 122.820 -0.025 0.000 2.445 179 A HA 0.466 4.797 4.320 0.018 0.000 0.242 179 A C 1.203 178.747 177.584 -0.067 0.000 1.075 179 A CA 0.742 52.759 52.037 -0.034 0.000 0.777 179 A CB -0.610 18.376 19.000 -0.024 0.000 1.013 179 A HN 1.185 nan 8.150 nan 0.000 0.493 180 G N 0.816 109.570 108.800 -0.077 0.000 2.634 180 G HA2 -0.304 3.667 3.960 0.018 0.000 0.318 180 G HA3 -0.304 3.667 3.960 0.018 0.000 0.318 180 G C 0.376 175.185 174.900 -0.152 0.000 1.207 180 G CA 0.631 45.673 45.100 -0.098 0.000 0.987 180 G HN 1.099 nan 8.290 nan 0.000 0.547 181 E N 2.206 122.312 120.200 -0.156 0.000 2.480 181 E HA 0.196 4.557 4.350 0.018 0.000 0.258 181 E C -0.085 176.325 176.600 -0.316 0.000 0.984 181 E CA 0.396 56.665 56.400 -0.219 0.000 0.930 181 E CB -0.061 29.545 29.700 -0.156 0.000 0.936 181 E HN 0.417 nan 8.360 nan 0.000 0.466 182 N N 3.041 121.404 118.700 -0.561 0.000 2.396 182 N HA 0.307 5.057 4.740 0.018 0.000 0.275 182 N C -1.202 173.797 175.510 -0.852 0.000 1.218 182 N CA -0.628 51.985 53.050 -0.729 0.000 0.812 182 N CB 2.234 40.119 38.487 -1.004 0.000 1.592 182 N HN 0.372 nan 8.380 nan 0.000 0.480 183 R N 1.863 122.109 120.500 -0.423 0.000 2.574 183 R HA 0.496 4.847 4.340 0.018 0.000 0.288 183 R C -1.504 174.838 176.300 0.070 0.000 1.004 183 R CA -0.498 55.513 56.100 -0.148 0.000 0.895 183 R CB 1.281 31.504 30.300 -0.128 0.000 1.191 183 R HN 0.494 nan 8.270 nan 0.000 0.444 184 L N 3.234 124.578 121.223 0.201 0.000 2.307 184 L HA 0.650 5.001 4.340 0.018 0.000 0.284 184 L C -0.212 176.749 176.870 0.151 0.000 1.023 184 L CA -0.888 54.085 54.840 0.221 0.000 0.810 184 L CB 1.916 44.127 42.059 0.254 0.000 1.231 184 L HN 0.722 nan 8.230 nan 0.000 0.423 185 A N 4.006 126.916 122.820 0.150 0.000 2.273 185 A HA 0.718 5.049 4.320 0.018 0.000 0.315 185 A C -0.765 177.113 177.584 0.491 0.000 1.256 185 A CA -0.447 51.594 52.037 0.006 0.000 0.851 185 A CB 1.247 19.836 19.000 -0.685 0.000 1.172 185 A HN 0.414 nan 8.150 nan 0.000 0.508 186 V N 4.264 124.677 119.914 0.832 0.000 2.444 186 V HA 0.561 4.691 4.120 0.018 0.000 0.294 186 V C -0.198 176.471 176.094 0.959 0.000 1.022 186 V CA -0.267 62.547 62.300 0.858 0.000 0.850 186 V CB 1.318 33.544 31.823 0.672 0.000 0.992 186 V HN 1.018 nan 8.190 nan 0.000 0.426 187 M N 5.833 125.976 119.600 0.906 0.000 2.181 187 M HA 0.788 5.279 4.480 0.018 0.000 0.323 187 M C -1.521 175.084 176.300 0.508 0.000 1.004 187 M CA -0.264 55.421 55.300 0.641 0.000 0.941 187 M CB 1.898 34.712 32.600 0.356 0.000 1.579 187 M HN 0.195 nan 8.290 nan 0.000 0.427 188 V N 5.780 125.940 119.914 0.410 0.000 2.328 188 V HA 0.407 4.538 4.120 0.018 0.000 0.278 188 V C -0.290 175.994 176.094 0.316 0.000 1.021 188 V CA -0.512 62.023 62.300 0.391 0.000 0.838 188 V CB 1.044 33.142 31.823 0.458 0.000 0.999 188 V HN 0.861 nan 8.190 nan 0.000 0.447 189 L N 5.523 126.870 121.223 0.207 0.000 2.290 189 L HA 0.441 4.792 4.340 0.018 0.000 0.284 189 L C 1.671 178.565 176.870 0.040 0.000 1.078 189 L CA -0.036 54.849 54.840 0.075 0.000 0.815 189 L CB 0.951 42.986 42.059 -0.040 0.000 1.162 189 L HN 0.689 nan 8.230 nan 0.000 0.435 190 R N 2.765 123.230 120.500 -0.059 0.000 2.189 190 R HA -0.014 4.336 4.340 0.018 0.000 0.218 190 R C -0.587 175.354 176.300 -0.598 0.000 1.074 190 R CA 0.541 56.383 56.100 -0.430 0.000 0.991 190 R CB 0.251 30.213 30.300 -0.564 0.000 0.883 190 R HN 0.535 nan 8.270 nan 0.000 0.457 191 W N 0.365 121.735 121.300 0.116 0.000 2.844 191 W HA 0.505 5.176 4.660 0.018 0.000 0.340 191 W C -0.669 175.971 176.519 0.200 0.000 1.093 191 W CA -0.874 56.547 57.345 0.128 0.000 1.212 191 W CB 1.954 31.490 29.460 0.126 0.000 1.422 191 W HN -0.003 nan 8.180 nan 0.000 0.515 192 S N -1.284 114.718 115.700 0.503 0.000 2.636 192 S HA 0.193 4.673 4.470 0.018 0.000 0.268 192 S C -0.078 174.789 174.600 0.444 0.000 1.159 192 S CA -0.514 57.991 58.200 0.508 0.000 0.815 192 S CB 1.215 64.670 63.200 0.426 0.000 1.130 192 S HN 0.592 nan 8.310 nan 0.000 0.471 193 D N 0.510 121.163 120.400 0.422 0.000 2.309 193 D HA 0.078 4.729 4.640 0.018 0.000 0.212 193 D C 1.773 178.387 176.300 0.522 0.000 0.968 193 D CA 1.203 55.495 54.000 0.487 0.000 0.882 193 D CB -0.800 40.166 40.800 0.277 0.000 0.918 193 D HN 0.719 nan 8.370 nan 0.000 0.503 194 G N 0.261 109.281 108.800 0.367 0.000 2.442 194 G HA2 -0.304 3.667 3.960 0.018 0.000 0.219 194 G HA3 -0.304 3.667 3.960 0.018 0.000 0.219 194 G C 1.751 176.835 174.900 0.307 0.000 1.141 194 G CA 0.868 46.149 45.100 0.301 0.000 0.763 194 G HN 0.337 nan 8.290 nan 0.000 0.554 195 S N -0.089 115.789 115.700 0.296 0.000 2.419 195 S HA -0.119 4.362 4.470 0.018 0.000 0.235 195 S C 1.959 176.698 174.600 0.232 0.000 1.019 195 S CA 1.004 59.344 58.200 0.234 0.000 0.982 195 S CB -0.389 62.944 63.200 0.222 0.000 0.789 195 S HN 0.570 nan 8.310 nan 0.000 0.490 196 Y N 1.188 121.631 120.300 0.237 0.000 2.293 196 Y HA 0.075 4.635 4.550 0.018 0.000 0.291 196 Y C 1.944 177.978 175.900 0.224 0.000 1.137 196 Y CA 0.665 58.866 58.100 0.168 0.000 1.202 196 Y CB -0.193 38.175 38.460 -0.155 0.000 0.990 196 Y HN 0.179 nan 8.280 nan 0.000 0.537 197 L N 0.127 121.538 121.223 0.313 0.000 2.478 197 L HA -0.058 4.293 4.340 0.018 0.000 0.223 197 L C -0.038 176.949 176.870 0.194 0.000 1.140 197 L CA 0.928 55.895 54.840 0.212 0.000 0.842 197 L CB -0.293 41.901 42.059 0.225 0.000 0.953 197 L HN 0.327 nan 8.230 nan 0.000 0.452 198 E N -0.555 119.771 120.200 0.211 0.000 3.659 198 E HA 0.061 4.422 4.350 0.018 0.000 0.217 198 E C -0.549 176.113 176.600 0.102 0.000 1.141 198 E CA -0.158 56.340 56.400 0.162 0.000 1.340 198 E CB 0.258 30.050 29.700 0.153 0.000 1.295 198 E HN -0.044 nan 8.360 nan 0.000 0.434 199 D N 1.802 122.195 120.400 -0.011 0.000 3.038 199 D HA 0.015 4.666 4.640 0.018 0.000 0.243 199 D C -0.432 175.805 176.300 -0.104 0.000 1.245 199 D CA -0.271 53.588 54.000 -0.235 0.000 0.871 199 D CB -0.020 40.264 40.800 -0.860 0.000 1.089 199 D HN 0.090 nan 8.370 nan 0.000 0.464 200 Q N 0.621 120.457 119.800 0.058 0.000 2.364 200 Q HA 0.134 4.484 4.340 0.018 0.000 0.267 200 Q C -0.164 175.898 176.000 0.104 0.000 0.999 200 Q CA -0.081 55.834 55.803 0.186 0.000 0.886 200 Q CB 0.678 29.686 28.738 0.450 0.000 1.243 200 Q HN 0.128 nan 8.270 nan 0.000 0.415 201 D N 3.510 124.003 120.400 0.155 0.000 2.357 201 D HA 0.226 4.877 4.640 0.018 0.000 0.265 201 D C -0.797 175.611 176.300 0.180 0.000 1.334 201 D CA 0.212 54.262 54.000 0.083 0.000 0.984 201 D CB -0.371 40.499 40.800 0.116 0.000 1.077 201 D HN 0.512 nan 8.370 nan 0.000 0.514 202 M N 1.089 120.725 119.600 0.061 0.000 3.043 202 M HA 0.303 4.794 4.480 0.018 0.000 0.264 202 M C -1.573 174.769 176.300 0.069 0.000 0.969 202 M CA -1.176 54.142 55.300 0.029 0.000 0.785 202 M CB 0.712 33.246 32.600 -0.111 0.000 1.634 202 M HN -0.047 nan 8.290 nan 0.000 0.560 203 W N 1.947 123.335 121.300 0.147 0.000 2.223 203 W HA 0.409 5.080 4.660 0.018 0.000 0.334 203 W C 0.260 176.768 176.519 -0.019 0.000 1.334 203 W CA -0.054 57.343 57.345 0.087 0.000 1.246 203 W CB 0.238 29.706 29.460 0.013 0.000 1.184 203 W HN 0.323 nan 8.180 nan 0.000 0.563 204 R N 4.212 124.860 120.500 0.248 0.000 2.265 204 R HA 0.534 4.884 4.340 0.018 0.000 0.314 204 R C -0.106 176.215 176.300 0.035 0.000 1.053 204 R CA -0.390 55.791 56.100 0.136 0.000 0.931 204 R CB 0.325 30.770 30.300 0.243 0.000 1.024 204 R HN 0.605 nan 8.270 nan 0.000 0.457 205 M N 0.125 119.636 119.600 -0.148 0.000 2.924 205 M HA 0.423 4.914 4.480 0.018 0.000 0.271 205 M C -0.872 175.118 176.300 -0.516 0.000 1.280 205 M CA -0.699 54.408 55.300 -0.323 0.000 0.813 205 M CB 2.888 35.303 32.600 -0.309 0.000 1.658 205 M HN 0.709 nan 8.290 nan 0.000 0.467 206 S N -0.531 114.728 115.700 -0.736 0.000 2.547 206 S HA 0.997 5.478 4.470 0.018 0.000 0.270 206 S C -0.721 173.399 174.600 -0.801 0.000 1.150 206 S CA -0.271 57.404 58.200 -0.875 0.000 0.850 206 S CB 2.247 64.655 63.200 -1.321 0.000 1.118 206 S HN 1.359 nan 8.310 nan 0.000 0.461 207 G N 0.173 108.744 108.800 -0.382 0.000 2.368 207 G HA2 0.298 4.269 3.960 0.018 0.000 0.302 207 G HA3 0.298 4.269 3.960 0.018 0.000 0.302 207 G C -1.441 173.435 174.900 -0.041 0.000 1.329 207 G CA -0.927 44.129 45.100 -0.075 0.000 0.935 207 G HN 0.934 nan 8.290 nan 0.000 0.590 208 I N 2.391 122.792 120.570 -0.281 0.000 2.191 208 I HA 0.185 4.366 4.170 0.018 0.000 0.289 208 I C 1.391 177.339 176.117 -0.282 0.000 1.141 208 I CA -0.179 60.854 61.300 -0.445 0.000 1.430 208 I CB -0.587 36.944 38.000 -0.781 0.000 1.497 208 I HN 0.507 nan 8.210 nan 0.000 0.636 209 F N 2.527 122.324 119.950 -0.254 0.000 2.710 209 F HA 0.260 4.797 4.527 0.018 0.000 0.298 209 F C 0.985 176.710 175.800 -0.126 0.000 1.137 209 F CA -0.272 57.614 58.000 -0.190 0.000 1.444 209 F CB -0.100 38.791 39.000 -0.181 0.000 1.111 209 F HN 0.095 nan 8.300 nan 0.000 0.580 210 R N 0.914 120.956 120.500 -0.764 0.000 2.943 210 R HA 0.258 4.609 4.340 0.018 0.000 0.246 210 R C -0.691 175.416 176.300 -0.320 0.000 1.201 210 R CA -1.056 54.752 56.100 -0.488 0.000 1.056 210 R CB 0.299 30.268 30.300 -0.551 0.000 1.243 210 R HN 0.012 nan 8.270 nan 0.000 0.498 211 D N 0.391 120.665 120.400 -0.209 0.000 2.370 211 D HA 0.137 4.788 4.640 0.018 0.000 0.235 211 D C -0.298 175.870 176.300 -0.219 0.000 1.228 211 D CA 0.171 54.074 54.000 -0.162 0.000 0.884 211 D CB 0.416 41.167 40.800 -0.080 0.000 1.201 211 D HN 0.006 nan 8.370 nan 0.000 0.456 212 V N 0.565 120.355 119.914 -0.207 0.000 2.588 212 V HA 0.563 4.694 4.120 0.018 0.000 0.304 212 V C -0.042 175.914 176.094 -0.230 0.000 1.042 212 V CA -0.421 61.692 62.300 -0.312 0.000 0.877 212 V CB 1.887 33.544 31.823 -0.277 0.000 0.996 212 V HN 0.545 nan 8.190 nan 0.000 0.425 213 S N 3.799 119.322 115.700 -0.294 0.000 2.685 213 S HA 0.795 5.276 4.470 0.018 0.000 0.282 213 S C -1.667 172.859 174.600 -0.123 0.000 1.159 213 S CA -0.587 57.521 58.200 -0.153 0.000 0.833 213 S CB 1.852 65.005 63.200 -0.079 0.000 1.151 213 S HN 0.496 nan 8.310 nan 0.000 0.485 214 L N 2.588 123.802 121.223 -0.015 0.000 2.438 214 L HA 0.624 4.975 4.340 0.018 0.000 0.270 214 L C -1.672 175.302 176.870 0.173 0.000 0.972 214 L CA -0.591 54.305 54.840 0.093 0.000 0.831 214 L CB 1.668 43.815 42.059 0.146 0.000 1.273 214 L HN 0.576 nan 8.230 nan 0.000 0.405 215 L N 3.353 124.665 121.223 0.148 0.000 2.410 215 L HA 0.494 4.845 4.340 0.018 0.000 0.270 215 L C -0.908 175.917 176.870 -0.074 0.000 0.983 215 L CA -0.297 54.578 54.840 0.059 0.000 0.822 215 L CB 1.779 43.860 42.059 0.037 0.000 1.285 215 L HN 0.502 nan 8.230 nan 0.000 0.409 216 H N 3.812 122.602 119.070 -0.467 0.000 2.594 216 H HA 0.546 5.113 4.556 0.018 0.000 0.304 216 H C -1.052 174.007 175.328 -0.450 0.000 1.068 216 H CA 0.014 55.594 56.048 -0.780 0.000 1.308 216 H CB 0.753 29.419 29.762 -1.827 0.000 1.409 216 H HN 0.649 nan 8.280 nan 0.000 0.460 217 K N 5.811 125.698 120.400 -0.855 0.000 2.267 217 K HA 0.405 4.736 4.320 0.018 0.000 0.246 217 K C -2.609 173.585 176.600 -0.678 0.000 0.954 217 K CA -2.464 53.450 56.287 -0.622 0.000 0.824 217 K CB 1.560 33.849 32.500 -0.351 0.000 1.167 217 K HN 0.456 nan 8.250 nan 0.000 0.431 218 P HA 0.018 nan 4.420 nan 0.000 0.271 218 P C 0.008 177.186 177.300 -0.203 0.000 1.233 218 P CA -0.132 62.804 63.100 -0.274 0.000 0.789 218 P CB 0.481 32.086 31.700 -0.159 0.000 0.951 219 T N -1.800 112.680 114.554 -0.123 0.000 2.821 219 T HA -0.040 4.321 4.350 0.018 0.000 0.267 219 T C 0.767 175.414 174.700 -0.089 0.000 1.046 219 T CA 1.465 63.512 62.100 -0.087 0.000 1.139 219 T CB -0.577 68.266 68.868 -0.042 0.000 0.871 219 T HN 0.387 nan 8.240 nan 0.000 0.454 220 T N 3.456 117.959 114.554 -0.084 0.000 2.801 220 T HA 0.417 4.778 4.350 0.018 0.000 0.306 220 T C -0.289 174.344 174.700 -0.111 0.000 1.020 220 T CA -0.738 61.304 62.100 -0.095 0.000 0.948 220 T CB 0.786 69.612 68.868 -0.071 0.000 0.962 220 T HN 0.410 nan 8.240 nan 0.000 0.465 221 Q N 3.665 123.383 119.800 -0.136 0.000 2.683 221 Q HA 0.513 4.864 4.340 0.018 0.000 0.302 221 Q C -1.089 174.822 176.000 -0.148 0.000 1.042 221 Q CA -1.006 54.703 55.803 -0.156 0.000 0.773 221 Q CB 1.294 29.912 28.738 -0.201 0.000 1.508 221 Q HN 0.491 nan 8.270 nan 0.000 0.459 222 I N 3.016 123.469 120.570 -0.195 0.000 2.421 222 I HA -0.003 4.178 4.170 0.018 0.000 0.291 222 I C 0.891 176.918 176.117 -0.150 0.000 1.089 222 I CA 0.094 61.297 61.300 -0.162 0.000 1.354 222 I CB 1.052 38.911 38.000 -0.235 0.000 1.413 222 I HN 0.726 nan 8.210 nan 0.000 0.513 223 S N 3.814 119.539 115.700 0.043 0.000 2.388 223 S HA 0.063 4.544 4.470 0.018 0.000 0.223 223 S C 0.375 175.210 174.600 0.390 0.000 1.034 223 S CA 0.176 58.462 58.200 0.143 0.000 0.963 223 S CB 0.163 63.391 63.200 0.047 0.000 0.827 223 S HN 0.710 nan 8.310 nan 0.000 0.481 224 D N -0.609 120.021 120.400 0.384 0.000 2.653 224 D HA 0.590 5.241 4.640 0.018 0.000 0.258 224 D C -1.905 174.606 176.300 0.353 0.000 1.252 224 D CA -0.829 53.395 54.000 0.374 0.000 0.777 224 D CB 1.898 42.804 40.800 0.177 0.000 1.339 224 D HN 0.214 nan 8.370 nan 0.000 0.422 225 F N -0.804 119.200 119.950 0.090 0.000 2.688 225 F HA 0.651 5.189 4.527 0.018 0.000 0.308 225 F C -1.736 174.042 175.800 -0.037 0.000 1.117 225 F CA -0.827 57.109 58.000 -0.108 0.000 0.976 225 F CB 1.071 40.084 39.000 0.020 0.000 1.291 225 F HN 0.303 nan 8.300 nan 0.000 0.439 226 H N 1.257 120.362 119.070 0.057 0.000 2.806 226 H HA 0.766 5.333 4.556 0.018 0.000 0.367 226 H C -1.317 174.029 175.328 0.031 0.000 1.136 226 H CA -1.533 54.482 56.048 -0.055 0.000 1.178 226 H CB 2.292 32.009 29.762 -0.076 0.000 1.718 226 H HN 0.642 nan 8.280 nan 0.000 0.540 227 V N 1.338 121.328 119.914 0.127 0.000 2.713 227 V HA 0.813 4.944 4.120 0.018 0.000 0.307 227 V C 0.075 176.158 176.094 -0.019 0.000 1.052 227 V CA -0.499 61.827 62.300 0.044 0.000 0.967 227 V CB 1.435 33.268 31.823 0.015 0.000 1.019 227 V HN 1.010 nan 8.190 nan 0.000 0.459 228 A N 2.068 124.841 122.820 -0.079 0.000 2.572 228 A HA 0.888 5.219 4.320 0.018 0.000 0.295 228 A C -0.430 177.021 177.584 -0.221 0.000 1.072 228 A CA -0.266 51.702 52.037 -0.116 0.000 0.691 228 A CB 2.253 21.209 19.000 -0.073 0.000 1.291 228 A HN 1.038 nan 8.150 nan 0.000 0.404 229 T N -0.321 114.073 114.554 -0.268 0.000 3.078 229 T HA 0.599 4.960 4.350 0.018 0.000 0.328 229 T C -0.540 173.842 174.700 -0.529 0.000 0.987 229 T CA -0.521 61.304 62.100 -0.458 0.000 1.049 229 T CB 0.498 68.957 68.868 -0.683 0.000 1.011 229 T HN 0.697 nan 8.240 nan 0.000 0.463 230 R N 1.965 122.209 120.500 -0.426 0.000 2.459 230 R HA 0.765 5.116 4.340 0.018 0.000 0.281 230 R C -0.853 175.116 176.300 -0.551 0.000 1.050 230 R CA -0.418 55.490 56.100 -0.321 0.000 1.055 230 R CB 0.747 30.949 30.300 -0.163 0.000 1.045 230 R HN 0.569 nan 8.270 nan 0.000 0.495 231 F N 0.465 120.403 119.950 -0.020 0.000 2.611 231 F HA 0.336 4.873 4.527 0.016 0.000 0.324 231 F C 0.494 176.171 175.800 -0.206 0.000 1.061 231 F CA -1.205 56.745 58.000 -0.084 0.000 0.954 231 F CB 0.889 39.786 39.000 -0.172 0.000 1.301 231 F HN 0.527 nan 8.300 nan 0.000 0.482 232 N N 0.219 118.924 118.700 0.008 0.000 2.413 232 N HA 0.044 4.795 4.740 0.018 0.000 0.266 232 N C 0.681 176.068 175.510 -0.204 0.000 1.238 232 N CA 0.024 53.030 53.050 -0.074 0.000 0.972 232 N CB 0.231 38.705 38.487 -0.021 0.000 1.210 232 N HN 0.751 nan 8.380 nan 0.000 0.547 233 D N -0.075 120.245 120.400 -0.134 0.000 2.154 233 D HA -0.307 4.344 4.640 0.018 0.000 0.190 233 D C 0.710 176.921 176.300 -0.149 0.000 1.003 233 D CA 2.450 56.366 54.000 -0.140 0.000 0.849 233 D CB -0.719 40.050 40.800 -0.052 0.000 0.942 233 D HN 0.755 nan 8.370 nan 0.000 0.446 234 D N -1.975 118.406 120.400 -0.031 0.000 2.348 234 D HA -0.031 4.620 4.640 0.018 0.000 0.211 234 D C 0.755 177.240 176.300 0.309 0.000 0.998 234 D CA -0.059 54.021 54.000 0.133 0.000 0.873 234 D CB -0.616 40.252 40.800 0.114 0.000 0.925 234 D HN 0.414 nan 8.370 nan 0.000 0.524 235 F N -0.588 119.405 119.950 0.072 0.000 2.411 235 F HA -0.301 4.237 4.527 0.018 0.000 0.393 235 F C 1.750 177.609 175.800 0.098 0.000 0.576 235 F CA 0.654 58.703 58.000 0.081 0.000 1.609 235 F CB -2.121 36.839 39.000 -0.068 0.000 2.186 235 F HN 0.107 nan 8.300 nan 0.000 0.274 236 S N 0.832 116.650 115.700 0.197 0.000 2.469 236 S HA -0.085 4.396 4.470 0.018 0.000 0.238 236 S C 0.806 175.465 174.600 0.099 0.000 0.998 236 S CA 0.962 59.237 58.200 0.125 0.000 0.957 236 S CB -0.126 63.122 63.200 0.081 0.000 0.764 236 S HN 0.643 nan 8.310 nan 0.000 0.514 237 R N -0.014 120.558 120.500 0.121 0.000 2.651 237 R HA 0.810 5.161 4.340 0.018 0.000 0.278 237 R C -1.337 175.029 176.300 0.110 0.000 1.010 237 R CA -0.601 55.546 56.100 0.079 0.000 0.896 237 R CB 1.410 31.728 30.300 0.029 0.000 1.211 237 R HN 0.131 nan 8.270 nan 0.000 0.456 238 A N 1.858 124.702 122.820 0.039 0.000 2.564 238 A HA 0.745 5.075 4.320 0.018 0.000 0.288 238 A C -1.428 176.132 177.584 -0.042 0.000 1.164 238 A CA -0.746 51.273 52.037 -0.030 0.000 0.712 238 A CB 2.230 21.232 19.000 0.004 0.000 1.303 238 A HN 0.411 nan 8.150 nan 0.000 0.418 239 V N 0.717 120.573 119.914 -0.098 0.000 2.638 239 V HA 0.549 4.679 4.120 0.018 0.000 0.306 239 V C -0.600 175.441 176.094 -0.089 0.000 1.052 239 V CA -0.376 61.883 62.300 -0.069 0.000 0.885 239 V CB 1.438 33.207 31.823 -0.090 0.000 0.999 239 V HN 0.910 nan 8.190 nan 0.000 0.424 240 L N 3.333 124.530 121.223 -0.043 0.000 2.295 240 L HA 0.697 5.047 4.340 0.018 0.000 0.285 240 L C -0.224 176.592 176.870 -0.089 0.000 1.035 240 L CA 0.003 54.777 54.840 -0.110 0.000 0.806 240 L CB 1.461 43.452 42.059 -0.113 0.000 1.214 240 L HN 0.743 nan 8.230 nan 0.000 0.426 241 E N 4.221 124.360 120.200 -0.103 0.000 2.155 241 E HA 0.606 4.967 4.350 0.018 0.000 0.264 241 E C -1.260 175.318 176.600 -0.036 0.000 0.886 241 E CA -0.718 55.643 56.400 -0.064 0.000 0.752 241 E CB 1.834 31.496 29.700 -0.063 0.000 1.133 241 E HN 0.771 nan 8.360 nan 0.000 0.414 242 A N 4.214 127.019 122.820 -0.026 0.000 2.331 242 A HA 0.419 4.750 4.320 0.018 0.000 0.320 242 A C -0.737 176.832 177.584 -0.024 0.000 1.138 242 A CA -0.647 51.392 52.037 0.003 0.000 0.790 242 A CB 1.146 20.157 19.000 0.019 0.000 1.206 242 A HN 0.667 nan 8.150 nan 0.000 0.470 243 E N 2.447 122.624 120.200 -0.038 0.000 2.218 243 E HA 0.588 4.949 4.350 0.018 0.000 0.263 243 E C -1.700 174.812 176.600 -0.147 0.000 0.879 243 E CA -0.543 55.793 56.400 -0.106 0.000 0.762 243 E CB 1.698 31.328 29.700 -0.117 0.000 1.166 243 E HN 0.408 nan 8.360 nan 0.000 0.415 244 V N 3.601 123.480 119.914 -0.058 0.000 2.680 244 V HA 0.415 4.546 4.120 0.018 0.000 0.309 244 V C -0.344 175.805 176.094 0.093 0.000 1.052 244 V CA -0.919 61.400 62.300 0.031 0.000 0.908 244 V CB 1.402 33.258 31.823 0.056 0.000 1.001 244 V HN 0.762 nan 8.190 nan 0.000 0.431 245 Q N 3.688 123.546 119.800 0.097 0.000 2.387 245 Q HA 0.889 5.239 4.340 0.018 0.000 0.273 245 Q C -0.962 175.086 176.000 0.080 0.000 1.089 245 Q CA -1.024 54.834 55.803 0.090 0.000 0.824 245 Q CB 2.841 31.579 28.738 0.001 0.000 1.367 245 Q HN 0.823 nan 8.270 nan 0.000 0.443 246 M N -0.423 119.153 119.600 -0.040 0.000 2.690 246 M HA 0.774 5.264 4.480 0.018 0.000 0.302 246 M C -1.559 174.631 176.300 -0.183 0.000 1.234 246 M CA -0.406 54.792 55.300 -0.170 0.000 0.853 246 M CB 2.347 34.653 32.600 -0.490 0.000 1.748 246 M HN 0.676 nan 8.290 nan 0.000 0.469 247 C N 1.393 120.591 119.300 -0.170 0.000 2.634 247 C HA 0.998 5.469 4.460 0.018 0.000 0.313 247 C C 0.675 175.578 174.990 -0.145 0.000 1.198 247 C CA 0.890 59.828 59.018 -0.134 0.000 1.605 247 C CB 0.867 28.551 27.740 -0.093 0.000 2.196 247 C HN 1.433 nan 8.230 nan 0.000 0.486 248 G N 3.767 112.496 108.800 -0.117 0.000 2.482 248 G HA2 0.000 3.971 3.960 0.018 0.000 0.214 248 G HA3 0.000 3.971 3.960 0.018 0.000 0.214 248 G C -1.117 173.710 174.900 -0.121 0.000 1.271 248 G CA 0.094 45.131 45.100 -0.105 0.000 0.944 248 G HN 0.976 nan 8.290 nan 0.000 0.568 249 E N 0.005 120.139 120.200 -0.109 0.000 2.134 249 E HA 0.688 5.049 4.350 0.018 0.000 0.278 249 E C 0.007 176.504 176.600 -0.171 0.000 0.959 249 E CA -0.943 55.386 56.400 -0.118 0.000 0.783 249 E CB 1.617 31.271 29.700 -0.077 0.000 1.095 249 E HN 0.685 nan 8.360 nan 0.000 0.399 250 L N 3.866 124.970 121.223 -0.198 0.000 2.369 250 L HA 0.293 4.644 4.340 0.018 0.000 0.279 250 L C -0.426 176.303 176.870 -0.234 0.000 1.108 250 L CA -0.255 54.437 54.840 -0.245 0.000 0.852 250 L CB 0.200 42.134 42.059 -0.209 0.000 1.169 250 L HN 0.408 nan 8.230 nan 0.000 0.452 251 R N 2.120 122.405 120.500 -0.359 0.000 2.621 251 R HA 0.191 4.542 4.340 0.018 0.000 0.292 251 R C 0.423 176.458 176.300 -0.442 0.000 0.969 251 R CA -0.814 54.979 56.100 -0.511 0.000 0.887 251 R CB 1.486 31.092 30.300 -1.156 0.000 1.180 251 R HN 0.631 nan 8.270 nan 0.000 0.450 252 D N 1.257 121.521 120.400 -0.226 0.000 2.172 252 D HA -0.280 4.371 4.640 0.018 0.000 0.196 252 D C 1.232 177.526 176.300 -0.011 0.000 0.999 252 D CA 1.803 55.762 54.000 -0.067 0.000 0.856 252 D CB -0.601 40.208 40.800 0.014 0.000 0.934 252 D HN 0.746 nan 8.370 nan 0.000 0.453 253 Y N 0.157 120.485 120.300 0.046 0.000 2.716 253 Y HA 0.190 4.751 4.550 0.018 0.000 0.302 253 Y C 0.164 176.102 175.900 0.063 0.000 1.160 253 Y CA -0.343 57.788 58.100 0.051 0.000 1.362 253 Y CB -1.108 37.378 38.460 0.044 0.000 0.988 253 Y HN -0.069 nan 8.280 nan 0.000 0.546 254 L N 2.888 124.118 121.223 0.011 0.000 2.305 254 L HA 0.422 4.773 4.340 0.018 0.000 0.281 254 L C 0.148 177.044 176.870 0.043 0.000 1.085 254 L CA -0.253 54.624 54.840 0.061 0.000 0.813 254 L CB 0.789 42.879 42.059 0.052 0.000 1.157 254 L HN 0.144 nan 8.230 nan 0.000 0.436 255 R N 2.568 122.995 120.500 -0.121 0.000 2.888 255 R HA 0.790 5.141 4.340 0.018 0.000 0.264 255 R C -1.455 174.477 176.300 -0.613 0.000 1.045 255 R CA -0.944 54.927 56.100 -0.382 0.000 0.962 255 R CB 2.301 32.355 30.300 -0.410 0.000 1.210 255 R HN 0.253 nan 8.270 nan 0.000 0.479 256 V N 0.549 120.122 119.914 -0.568 0.000 2.709 256 V HA 0.481 4.612 4.120 0.018 0.000 0.308 256 V C -0.526 175.429 176.094 -0.232 0.000 1.062 256 V CA -0.606 61.430 62.300 -0.440 0.000 0.901 256 V CB 2.293 33.823 31.823 -0.488 0.000 1.003 256 V HN 0.750 nan 8.190 nan 0.000 0.425 257 T N 3.585 118.076 114.554 -0.104 0.000 2.890 257 T HA 0.528 4.889 4.350 0.018 0.000 0.295 257 T C -0.722 173.975 174.700 -0.006 0.000 0.993 257 T CA -0.292 61.819 62.100 0.019 0.000 0.979 257 T CB 1.530 70.508 68.868 0.183 0.000 0.967 257 T HN 0.340 nan 8.240 nan 0.000 0.441 258 V N 3.967 123.865 119.914 -0.027 0.000 2.483 258 V HA 0.828 4.959 4.120 0.018 0.000 0.295 258 V C -0.216 175.882 176.094 0.006 0.000 1.035 258 V CA -0.569 61.718 62.300 -0.023 0.000 0.896 258 V CB 1.851 33.645 31.823 -0.049 0.000 0.986 258 V HN 1.056 nan 8.190 nan 0.000 0.447 259 S N 4.831 120.564 115.700 0.054 0.000 2.543 259 S HA 0.719 5.200 4.470 0.018 0.000 0.271 259 S C -1.280 173.361 174.600 0.069 0.000 1.148 259 S CA -0.698 57.515 58.200 0.022 0.000 0.914 259 S CB 1.777 65.025 63.200 0.081 0.000 1.096 259 S HN 0.500 nan 8.310 nan 0.000 0.471 260 L N 2.323 123.489 121.223 -0.095 0.000 2.309 260 L HA 0.818 5.169 4.340 0.018 0.000 0.282 260 L C -1.762 175.041 176.870 -0.111 0.000 1.036 260 L CA -0.054 54.807 54.840 0.035 0.000 0.806 260 L CB 0.592 42.685 42.059 0.057 0.000 1.220 260 L HN 0.863 nan 8.230 nan 0.000 0.429 261 W N 3.711 125.118 121.300 0.177 0.000 2.839 261 W HA 0.519 5.190 4.660 0.018 0.000 0.334 261 W C -0.739 175.872 176.519 0.153 0.000 1.064 261 W CA -0.520 56.908 57.345 0.138 0.000 1.236 261 W CB 1.411 30.905 29.460 0.057 0.000 1.405 261 W HN 0.403 nan 8.180 nan 0.000 0.478 262 Q N 2.768 122.754 119.800 0.310 0.000 2.425 262 Q HA 0.514 4.865 4.340 0.018 0.000 0.254 262 Q C 0.838 176.903 176.000 0.109 0.000 1.032 262 Q CA 0.672 56.516 55.803 0.067 0.000 0.798 262 Q CB 0.642 29.331 28.738 -0.081 0.000 1.210 262 Q HN 0.775 nan 8.270 nan 0.000 0.491 263 G N 3.279 112.134 108.800 0.092 0.000 2.595 263 G HA2 -0.330 3.641 3.960 0.018 0.000 0.297 263 G HA3 -0.330 3.641 3.960 0.018 0.000 0.297 263 G C 0.306 175.287 174.900 0.136 0.000 1.181 263 G CA 0.398 45.542 45.100 0.074 0.000 0.963 263 G HN 0.649 nan 8.290 nan 0.000 0.541 264 E N 1.079 121.367 120.200 0.148 0.000 2.538 264 E HA 0.233 4.594 4.350 0.018 0.000 0.207 264 E C 0.256 177.065 176.600 0.348 0.000 1.002 264 E CA 0.425 56.938 56.400 0.187 0.000 0.952 264 E CB 0.871 30.625 29.700 0.090 0.000 1.031 264 E HN 0.355 nan 8.360 nan 0.000 0.476 265 T N 1.897 116.640 114.554 0.315 0.000 2.767 265 T HA 0.150 4.511 4.350 0.018 0.000 0.284 265 T C -0.039 174.671 174.700 0.016 0.000 0.973 265 T CA -0.351 61.858 62.100 0.182 0.000 0.996 265 T CB 1.830 70.748 68.868 0.083 0.000 0.927 265 T HN -0.055 nan 8.240 nan 0.000 0.456 266 Q N 3.314 122.887 119.800 -0.378 0.000 2.307 266 Q HA 0.173 4.524 4.340 0.018 0.000 0.261 266 Q C 0.769 176.505 176.000 -0.440 0.000 1.051 266 Q CA -0.223 55.005 55.803 -0.959 0.000 0.911 266 Q CB 0.804 28.901 28.738 -1.068 0.000 1.227 266 Q HN 0.581 nan 8.270 nan 0.000 0.418 267 V N 2.512 122.221 119.914 -0.340 0.000 2.446 267 V HA 0.139 4.269 4.120 0.018 0.000 0.244 267 V C 0.582 176.586 176.094 -0.149 0.000 1.039 267 V CA 1.350 63.572 62.300 -0.130 0.000 1.045 267 V CB -0.250 31.594 31.823 0.034 0.000 0.681 267 V HN 0.777 nan 8.190 nan 0.000 0.459 268 A N -1.230 121.467 122.820 -0.206 0.000 2.597 268 A HA 0.740 5.071 4.320 0.018 0.000 0.292 268 A C -0.831 176.642 177.584 -0.186 0.000 1.057 268 A CA 0.033 51.975 52.037 -0.159 0.000 0.674 268 A CB 1.735 20.679 19.000 -0.093 0.000 1.278 268 A HN 0.079 nan 8.150 nan 0.000 0.416 269 S N -0.872 114.749 115.700 -0.133 0.000 2.536 269 S HA 0.819 5.300 4.470 0.018 0.000 0.271 269 S C -0.505 174.058 174.600 -0.061 0.000 1.134 269 S CA 0.212 58.353 58.200 -0.098 0.000 0.897 269 S CB 1.734 64.874 63.200 -0.101 0.000 1.094 269 S HN 2.262 nan 8.310 nan 0.000 0.473 270 G N 1.893 110.668 108.800 -0.042 0.000 2.731 270 G HA2 0.600 4.571 3.960 0.018 0.000 0.298 270 G HA3 0.600 4.571 3.960 0.018 0.000 0.298 270 G C -1.333 173.549 174.900 -0.031 0.000 1.424 270 G CA -0.417 44.660 45.100 -0.039 0.000 1.029 270 G HN 0.669 nan 8.290 nan 0.000 0.518 271 T N 0.208 114.746 114.554 -0.026 0.000 2.841 271 T HA 0.862 5.223 4.350 0.018 0.000 0.283 271 T C -0.124 174.534 174.700 -0.070 0.000 1.000 271 T CA -0.025 62.062 62.100 -0.022 0.000 0.977 271 T CB 1.769 70.669 68.868 0.054 0.000 0.979 271 T HN 1.518 nan 8.240 nan 0.000 0.446 272 A N 3.748 126.482 122.820 -0.144 0.000 2.601 272 A HA 0.886 5.216 4.320 0.018 0.000 0.291 272 A C -3.142 174.273 177.584 -0.281 0.000 1.075 272 A CA -1.533 50.400 52.037 -0.173 0.000 0.671 272 A CB 1.181 20.088 19.000 -0.154 0.000 1.277 272 A HN 0.527 nan 8.150 nan 0.000 0.417 273 P HA 0.587 nan 4.420 nan 0.000 0.281 273 P C -0.633 176.503 177.300 -0.274 0.000 1.264 273 P CA -0.292 62.692 63.100 -0.193 0.000 0.824 273 P CB 0.380 32.052 31.700 -0.047 0.000 1.092 274 F N -0.058 119.855 119.950 -0.062 0.000 2.440 274 F HA 0.470 5.007 4.527 0.018 0.000 0.323 274 F C 1.506 177.291 175.800 -0.025 0.000 1.192 274 F CA 1.315 59.287 58.000 -0.047 0.000 1.252 274 F CB 0.016 38.982 39.000 -0.057 0.000 1.214 274 F HN 0.589 nan 8.300 nan 0.000 0.578 275 G N 1.199 110.137 108.800 0.230 0.000 3.238 275 G HA2 0.266 4.237 3.960 0.018 0.000 0.684 275 G HA3 0.266 4.237 3.960 0.018 0.000 0.684 275 G C -0.248 174.704 174.900 0.087 0.000 1.156 275 G CA -0.691 44.491 45.100 0.136 0.000 1.048 275 G HN 1.093 nan 8.290 nan 0.000 0.462 276 G N 0.842 109.706 108.800 0.107 0.000 2.531 276 G HA2 0.686 4.657 3.960 0.018 0.000 0.253 276 G HA3 0.686 4.657 3.960 0.018 0.000 0.253 276 G C 0.284 175.219 174.900 0.058 0.000 1.439 276 G CA -0.096 45.048 45.100 0.074 0.000 1.056 276 G HN 0.854 nan 8.290 nan 0.000 0.555 277 E N -0.868 119.363 120.200 0.052 0.000 2.409 277 E HA 0.300 4.661 4.350 0.018 0.000 0.257 277 E C -0.378 176.244 176.600 0.036 0.000 1.150 277 E CA -0.341 56.080 56.400 0.036 0.000 0.942 277 E CB 0.567 30.285 29.700 0.029 0.000 0.979 277 E HN 0.193 nan 8.360 nan 0.000 0.447 278 I N 2.017 122.597 120.570 0.017 0.000 2.533 278 I HA 0.003 4.184 4.170 0.018 0.000 0.284 278 I C 1.115 177.236 176.117 0.007 0.000 1.109 278 I CA 0.520 61.822 61.300 0.003 0.000 1.412 278 I CB 0.257 38.253 38.000 -0.005 0.000 1.396 278 I HN 0.591 nan 8.210 nan 0.000 0.543 279 I N 2.023 122.591 120.570 -0.004 0.000 3.339 279 I HA 0.337 4.518 4.170 0.018 0.000 0.285 279 I C -0.293 175.821 176.117 -0.005 0.000 1.201 279 I CA 0.306 61.613 61.300 0.011 0.000 1.434 279 I CB 0.250 38.283 38.000 0.055 0.000 1.152 279 I HN 0.596 nan 8.210 nan 0.000 0.443 280 D N -0.378 120.006 120.400 -0.028 0.000 2.895 280 D HA 0.220 4.871 4.640 0.018 0.000 0.320 280 D C 0.238 176.518 176.300 -0.032 0.000 1.249 280 D CA -0.608 53.376 54.000 -0.026 0.000 0.997 280 D CB 0.595 41.378 40.800 -0.028 0.000 1.430 280 D HN -0.152 nan 8.370 nan 0.000 0.558 281 E N -0.737 119.446 120.200 -0.028 0.000 2.160 281 E HA -0.107 4.254 4.350 0.018 0.000 0.195 281 E C 1.534 178.112 176.600 -0.036 0.000 0.991 281 E CA 1.018 57.402 56.400 -0.026 0.000 0.810 281 E CB 0.036 29.724 29.700 -0.020 0.000 0.742 281 E HN 0.187 nan 8.360 nan 0.000 0.466 282 R N -0.408 120.061 120.500 -0.052 0.000 2.275 282 R HA 0.211 4.562 4.340 0.018 0.000 0.199 282 R C 1.083 177.336 176.300 -0.078 0.000 0.989 282 R CA 0.857 56.917 56.100 -0.065 0.000 1.016 282 R CB 0.154 30.406 30.300 -0.080 0.000 0.918 282 R HN 0.256 nan 8.270 nan 0.000 0.473 283 G N -0.977 107.777 108.800 -0.077 0.000 2.456 283 G HA2 -0.084 3.887 3.960 0.018 0.000 0.204 283 G HA3 -0.084 3.887 3.960 0.018 0.000 0.204 283 G C -0.129 174.711 174.900 -0.099 0.000 1.193 283 G CA -0.534 44.522 45.100 -0.073 0.000 1.220 283 G HN 0.541 nan 8.290 nan 0.000 0.565 284 G N -1.792 106.944 108.800 -0.106 0.000 3.105 284 G HA2 0.638 4.609 3.960 0.018 0.000 0.277 284 G HA3 0.638 4.609 3.960 0.018 0.000 0.277 284 G C -1.683 173.112 174.900 -0.176 0.000 1.375 284 G CA -0.732 44.309 45.100 -0.099 0.000 0.962 284 G HN 0.748 nan 8.290 nan 0.000 0.541 285 Y N 0.721 121.032 120.300 0.018 0.000 2.404 285 Y HA 0.442 5.003 4.550 0.017 0.000 0.344 285 Y C 1.283 177.203 175.900 0.034 0.000 0.970 285 Y CA -0.124 57.989 58.100 0.022 0.000 1.180 285 Y CB 2.000 40.478 38.460 0.031 0.000 1.138 285 Y HN 0.547 nan 8.280 nan 0.000 0.510 286 A N 1.582 124.489 122.820 0.144 0.000 2.123 286 A HA -0.082 4.249 4.320 0.018 0.000 0.214 286 A C 1.052 178.700 177.584 0.106 0.000 1.152 286 A CA 0.892 52.993 52.037 0.107 0.000 0.728 286 A CB -0.240 18.784 19.000 0.040 0.000 0.814 286 A HN 0.793 nan 8.150 nan 0.000 0.464 287 D N -0.363 120.087 120.400 0.084 0.000 2.460 287 D HA 0.171 4.822 4.640 0.018 0.000 0.229 287 D C 0.378 176.748 176.300 0.117 0.000 1.170 287 D CA -0.052 53.903 54.000 -0.075 0.000 0.827 287 D CB -0.089 40.628 40.800 -0.138 0.000 0.973 287 D HN 0.362 nan 8.370 nan 0.000 0.496 288 R N -0.914 119.775 120.500 0.315 0.000 2.774 288 R HA 0.766 5.116 4.340 0.018 0.000 0.272 288 R C -1.648 174.804 176.300 0.254 0.000 1.000 288 R CA -1.188 55.089 56.100 0.295 0.000 0.906 288 R CB 2.967 33.320 30.300 0.088 0.000 1.227 288 R HN -0.013 nan 8.270 nan 0.000 0.468 289 V N 0.548 120.516 119.914 0.089 0.000 2.969 289 V HA 0.477 4.608 4.120 0.018 0.000 0.304 289 V C -1.449 174.599 176.094 -0.077 0.000 1.192 289 V CA -0.294 61.966 62.300 -0.067 0.000 0.962 289 V CB 2.758 34.394 31.823 -0.312 0.000 1.045 289 V HN 0.825 nan 8.190 nan 0.000 0.428 290 T N 7.122 121.635 114.554 -0.067 0.000 2.824 290 T HA 0.755 5.116 4.350 0.018 0.000 0.282 290 T C -0.863 173.795 174.700 -0.069 0.000 0.993 290 T CA -0.256 61.808 62.100 -0.059 0.000 0.967 290 T CB 1.256 70.104 68.868 -0.033 0.000 0.960 290 T HN 0.467 nan 8.240 nan 0.000 0.441 291 L N 3.025 124.207 121.223 -0.069 0.000 2.330 291 L HA 0.681 5.032 4.340 0.018 0.000 0.271 291 L C 0.233 177.072 176.870 -0.052 0.000 1.013 291 L CA -0.930 53.870 54.840 -0.066 0.000 0.816 291 L CB 1.385 43.398 42.059 -0.077 0.000 1.287 291 L HN 0.440 nan 8.230 nan 0.000 0.435 292 R N 2.858 123.328 120.500 -0.049 0.000 2.451 292 R HA 0.659 5.010 4.340 0.018 0.000 0.307 292 R C -1.501 174.772 176.300 -0.044 0.000 0.965 292 R CA -0.636 55.436 56.100 -0.047 0.000 0.865 292 R CB 1.375 31.648 30.300 -0.045 0.000 1.174 292 R HN 0.454 nan 8.270 nan 0.000 0.455 293 L N 2.907 124.105 121.223 -0.042 0.000 2.296 293 L HA 0.378 4.729 4.340 0.018 0.000 0.286 293 L C -0.319 176.533 176.870 -0.029 0.000 1.023 293 L CA -0.935 53.883 54.840 -0.036 0.000 0.812 293 L CB 1.666 43.706 42.059 -0.032 0.000 1.223 293 L HN 0.503 nan 8.230 nan 0.000 0.421 294 N N 1.727 120.406 118.700 -0.034 0.000 2.444 294 N HA 0.394 5.145 4.740 0.018 0.000 0.271 294 N C -1.069 174.416 175.510 -0.042 0.000 1.069 294 N CA -0.138 52.892 53.050 -0.034 0.000 0.965 294 N CB 1.554 40.020 38.487 -0.034 0.000 1.092 294 N HN 0.178 nan 8.380 nan 0.000 0.476 295 V N 2.261 122.144 119.914 -0.052 0.000 2.444 295 V HA 0.267 4.398 4.120 0.018 0.000 0.294 295 V C -0.182 175.853 176.094 -0.098 0.000 1.022 295 V CA -0.858 61.381 62.300 -0.103 0.000 0.850 295 V CB 1.549 33.246 31.823 -0.209 0.000 0.992 295 V HN 0.550 nan 8.190 nan 0.000 0.426 296 E N 3.724 123.883 120.200 -0.069 0.000 2.313 296 E HA 0.235 4.595 4.350 0.018 0.000 0.276 296 E C 0.070 176.646 176.600 -0.041 0.000 1.031 296 E CA -0.197 56.179 56.400 -0.040 0.000 0.857 296 E CB 0.534 30.221 29.700 -0.022 0.000 1.040 296 E HN 0.641 nan 8.360 nan 0.000 0.408 297 N N 2.523 121.215 118.700 -0.014 0.000 2.676 297 N HA -0.149 4.602 4.740 0.018 0.000 0.290 297 N C -2.454 173.042 175.510 -0.024 0.000 1.109 297 N CA 0.378 53.430 53.050 0.004 0.000 0.779 297 N CB -0.866 37.632 38.487 0.017 0.000 0.947 297 N HN 0.222 nan 8.380 nan 0.000 0.566 298 P HA 0.204 nan 4.420 nan 0.000 0.282 298 P C -0.014 177.275 177.300 -0.019 0.000 1.249 298 P CA -0.211 62.758 63.100 -0.218 0.000 0.806 298 P CB 1.000 32.288 31.700 -0.686 0.000 0.984 299 K N 2.393 122.881 120.400 0.146 0.000 2.285 299 K HA 0.317 4.648 4.320 0.018 0.000 0.286 299 K C -0.020 176.730 176.600 0.250 0.000 1.072 299 K CA -0.386 56.002 56.287 0.168 0.000 0.913 299 K CB 0.299 32.869 32.500 0.118 0.000 1.067 299 K HN 0.438 nan 8.250 nan 0.000 0.479 300 L N 2.577 123.864 121.223 0.107 0.000 2.350 300 L HA 0.302 4.653 4.340 0.018 0.000 0.275 300 L C -0.057 176.850 176.870 0.061 0.000 1.099 300 L CA -0.850 54.045 54.840 0.091 0.000 0.808 300 L CB 0.454 42.415 42.059 -0.164 0.000 1.149 300 L HN 0.586 nan 8.230 nan 0.000 0.442 301 W N 3.665 124.970 121.300 0.009 0.000 2.351 301 W HA 0.453 5.123 4.660 0.017 0.000 0.311 301 W C 0.072 176.514 176.519 -0.129 0.000 1.168 301 W CA 0.156 57.494 57.345 -0.012 0.000 1.200 301 W CB 1.237 30.753 29.460 0.092 0.000 1.221 301 W HN 0.647 nan 8.180 nan 0.000 0.519 302 S N 2.918 118.064 115.700 -0.925 0.000 2.643 302 S HA 0.647 5.128 4.470 0.018 0.000 0.270 302 S C -0.090 173.704 174.600 -1.342 0.000 1.166 302 S CA -0.411 57.322 58.200 -0.779 0.000 0.815 302 S CB 1.256 64.147 63.200 -0.516 0.000 1.139 302 S HN 0.903 nan 8.310 nan 0.000 0.472 303 A N -0.270 121.996 122.820 -0.923 0.000 2.235 303 A HA 0.239 4.570 4.320 0.018 0.000 0.208 303 A C 1.357 178.636 177.584 -0.508 0.000 1.172 303 A CA 0.599 52.097 52.037 -0.899 0.000 0.786 303 A CB -0.722 17.593 19.000 -1.141 0.000 0.804 303 A HN 0.807 nan 8.150 nan 0.000 0.479 304 E N -1.115 118.872 120.200 -0.355 0.000 2.290 304 E HA 0.284 4.645 4.350 0.018 0.000 0.197 304 E C -0.625 175.830 176.600 -0.242 0.000 0.948 304 E CA 0.443 56.706 56.400 -0.228 0.000 0.895 304 E CB 0.493 30.158 29.700 -0.058 0.000 0.865 304 E HN 0.536 nan 8.360 nan 0.000 0.486 305 I N 1.759 122.132 120.570 -0.328 0.000 2.605 305 I HA 0.131 4.312 4.170 0.018 0.000 0.276 305 I C -2.705 173.132 176.117 -0.466 0.000 1.161 305 I CA -1.754 59.377 61.300 -0.282 0.000 1.064 305 I CB 2.349 40.239 38.000 -0.183 0.000 1.238 305 I HN -0.226 nan 8.210 nan 0.000 0.487 306 P HA 0.137 nan 4.420 nan 0.000 0.244 306 P C -0.744 176.490 177.300 -0.110 0.000 1.769 306 P CA -0.246 62.381 63.100 -0.787 0.000 1.102 306 P CB -0.155 31.383 31.700 -0.270 0.000 1.937 307 N N 2.859 121.558 118.700 -0.002 0.000 2.405 307 N HA 0.174 4.925 4.740 0.018 0.000 0.260 307 N C 0.069 175.837 175.510 0.430 0.000 1.152 307 N CA 0.156 53.305 53.050 0.166 0.000 0.948 307 N CB 0.385 38.957 38.487 0.141 0.000 1.111 307 N HN 0.295 nan 8.380 nan 0.000 0.485 308 L N 2.384 123.778 121.223 0.284 0.000 2.352 308 L HA 0.503 4.853 4.340 0.018 0.000 0.269 308 L C -0.557 176.411 176.870 0.164 0.000 1.034 308 L CA -0.788 54.238 54.840 0.310 0.000 0.806 308 L CB 0.808 43.006 42.059 0.232 0.000 1.244 308 L HN 0.388 nan 8.230 nan 0.000 0.447 309 Y N 0.105 120.538 120.300 0.221 0.000 2.605 309 Y HA 0.596 5.157 4.550 0.019 0.000 0.343 309 Y C -0.304 175.707 175.900 0.186 0.000 1.036 309 Y CA -0.854 57.379 58.100 0.221 0.000 1.065 309 Y CB 2.034 40.671 38.460 0.294 0.000 1.288 309 Y HN 0.407 nan 8.280 nan 0.000 0.481 310 R N 1.033 121.756 120.500 0.371 0.000 2.711 310 R HA 0.908 5.259 4.340 0.018 0.000 0.284 310 R C -1.677 174.801 176.300 0.297 0.000 0.968 310 R CA -0.655 55.593 56.100 0.247 0.000 0.924 310 R CB 1.454 31.825 30.300 0.118 0.000 1.162 310 R HN 0.789 nan 8.270 nan 0.000 0.465 311 A N 3.099 126.040 122.820 0.202 0.000 2.355 311 A HA 0.674 5.005 4.320 0.018 0.000 0.317 311 A C -1.332 176.307 177.584 0.091 0.000 1.094 311 A CA -0.654 51.495 52.037 0.187 0.000 0.764 311 A CB 1.808 20.893 19.000 0.141 0.000 1.230 311 A HN 0.455 nan 8.150 nan 0.000 0.448 312 V N 2.081 122.056 119.914 0.102 0.000 2.680 312 V HA 0.564 4.695 4.120 0.018 0.000 0.309 312 V C -0.684 175.387 176.094 -0.038 0.000 1.052 312 V CA -0.485 61.813 62.300 -0.003 0.000 0.908 312 V CB 2.038 33.855 31.823 -0.010 0.000 1.001 312 V HN 0.683 nan 8.190 nan 0.000 0.431 313 V N 4.109 123.942 119.914 -0.134 0.000 2.409 313 V HA 0.486 4.617 4.120 0.018 0.000 0.290 313 V C -0.568 175.468 176.094 -0.097 0.000 1.017 313 V CA -0.643 61.555 62.300 -0.169 0.000 0.841 313 V CB 1.579 33.164 31.823 -0.398 0.000 1.003 313 V HN 0.994 nan 8.190 nan 0.000 0.426 314 E N 4.246 124.430 120.200 -0.027 0.000 2.171 314 E HA 0.527 4.888 4.350 0.018 0.000 0.271 314 E C -0.929 175.662 176.600 -0.016 0.000 0.916 314 E CA -0.925 55.495 56.400 0.034 0.000 0.774 314 E CB 2.530 32.329 29.700 0.164 0.000 1.128 314 E HN 0.430 nan 8.360 nan 0.000 0.403 315 L N 5.630 126.848 121.223 -0.008 0.000 2.312 315 L HA 0.224 4.575 4.340 0.018 0.000 0.287 315 L C -0.560 176.336 176.870 0.044 0.000 1.091 315 L CA 0.303 55.134 54.840 -0.016 0.000 0.846 315 L CB -0.816 41.248 42.059 0.007 0.000 1.219 315 L HN 0.662 nan 8.230 nan 0.000 0.439 316 H N 1.183 120.288 119.070 0.059 0.000 2.960 316 H HA 0.719 5.286 4.556 0.018 0.000 0.303 316 H C -0.978 174.413 175.328 0.106 0.000 1.412 316 H CA -0.464 55.623 56.048 0.065 0.000 1.227 316 H CB 1.478 31.263 29.762 0.038 0.000 1.912 316 H HN 0.410 nan 8.280 nan 0.000 0.583 317 T N -2.991 111.820 114.554 0.428 0.000 2.950 317 T HA 0.513 4.874 4.350 0.018 0.000 0.288 317 T C 1.373 176.315 174.700 0.403 0.000 1.035 317 T CA -0.276 62.047 62.100 0.372 0.000 1.028 317 T CB 1.569 70.599 68.868 0.269 0.000 1.109 317 T HN 0.786 nan 8.240 nan 0.000 0.514 318 A N 1.055 124.054 122.820 0.298 0.000 2.093 318 A HA -0.088 4.243 4.320 0.018 0.000 0.222 318 A C 1.350 179.008 177.584 0.125 0.000 1.162 318 A CA 1.964 54.130 52.037 0.215 0.000 0.655 318 A CB -1.260 17.841 19.000 0.170 0.000 0.805 318 A HN 1.022 nan 8.150 nan 0.000 0.461 319 D N -3.741 116.711 120.400 0.086 0.000 2.587 319 D HA 0.412 5.062 4.640 0.018 0.000 0.233 319 D C 0.957 177.252 176.300 -0.009 0.000 1.213 319 D CA 0.520 54.533 54.000 0.022 0.000 0.827 319 D CB -0.096 40.703 40.800 -0.002 0.000 1.006 319 D HN 0.466 nan 8.370 nan 0.000 0.490 320 G N -0.052 108.722 108.800 -0.043 0.000 2.267 320 G HA2 -0.321 3.650 3.960 0.018 0.000 0.257 320 G HA3 -0.321 3.650 3.960 0.018 0.000 0.257 320 G C 0.580 175.442 174.900 -0.063 0.000 0.998 320 G CA 0.319 45.345 45.100 -0.124 0.000 0.620 320 G HN 0.436 nan 8.290 nan 0.000 0.529 321 T N 2.311 116.873 114.554 0.013 0.000 2.817 321 T HA 0.426 4.786 4.350 0.018 0.000 0.295 321 T C 0.473 175.235 174.700 0.103 0.000 0.958 321 T CA -0.081 62.044 62.100 0.042 0.000 1.157 321 T CB 1.314 70.206 68.868 0.039 0.000 0.898 321 T HN 0.330 nan 8.240 nan 0.000 0.536 322 L N 5.432 126.704 121.223 0.081 0.000 2.283 322 L HA 0.248 4.599 4.340 0.018 0.000 0.287 322 L C 0.853 177.781 176.870 0.096 0.000 1.073 322 L CA -0.276 54.633 54.840 0.115 0.000 0.822 322 L CB 0.444 42.546 42.059 0.072 0.000 1.186 322 L HN 0.692 nan 8.230 nan 0.000 0.436 323 I N 3.727 124.359 120.570 0.104 0.000 2.193 323 I HA -0.105 4.076 4.170 0.018 0.000 0.240 323 I C 1.029 177.162 176.117 0.027 0.000 1.084 323 I CA 1.084 62.419 61.300 0.059 0.000 1.365 323 I CB 0.109 38.138 38.000 0.048 0.000 1.064 323 I HN 0.730 nan 8.210 nan 0.000 0.410 324 E N -0.552 119.664 120.200 0.027 0.000 2.417 324 E HA 0.640 5.001 4.350 0.018 0.000 0.280 324 E C -1.830 174.785 176.600 0.025 0.000 1.112 324 E CA -0.951 55.457 56.400 0.013 0.000 0.863 324 E CB 1.224 30.890 29.700 -0.056 0.000 1.346 324 E HN -0.048 nan 8.360 nan 0.000 0.443 325 A N 1.462 124.322 122.820 0.067 0.000 2.515 325 A HA 0.716 5.047 4.320 0.018 0.000 0.298 325 A C -1.174 176.520 177.584 0.182 0.000 1.059 325 A CA -0.672 51.409 52.037 0.073 0.000 0.698 325 A CB 1.921 20.958 19.000 0.063 0.000 1.289 325 A HN 0.523 nan 8.150 nan 0.000 0.404 326 E N -0.335 119.902 120.200 0.062 0.000 2.393 326 E HA 0.772 5.133 4.350 0.018 0.000 0.273 326 E C -0.615 175.976 176.600 -0.016 0.000 0.918 326 E CA -0.605 55.889 56.400 0.157 0.000 0.773 326 E CB 2.548 32.250 29.700 0.004 0.000 1.275 326 E HN 1.137 nan 8.360 nan 0.000 0.451 327 A N 0.240 123.168 122.820 0.180 0.000 2.588 327 A HA 0.837 5.168 4.320 0.018 0.000 0.290 327 A C -1.128 176.643 177.584 0.312 0.000 1.136 327 A CA -0.381 51.700 52.037 0.073 0.000 0.681 327 A CB 1.105 20.029 19.000 -0.126 0.000 1.282 327 A HN 0.904 nan 8.150 nan 0.000 0.421 328 C N -0.899 118.541 119.300 0.233 0.000 3.306 328 C HA 0.748 5.219 4.460 0.018 0.000 0.335 328 C C -1.820 173.267 174.990 0.162 0.000 1.382 328 C CA -0.955 58.204 59.018 0.235 0.000 1.254 328 C CB 1.077 28.988 27.740 0.284 0.000 1.555 328 C HN 0.815 nan 8.230 nan 0.000 0.463 329 D N 1.347 121.833 120.400 0.142 0.000 2.277 329 D HA 0.449 5.100 4.640 0.018 0.000 0.249 329 D C -0.314 176.050 176.300 0.106 0.000 1.134 329 D CA 0.107 54.189 54.000 0.137 0.000 0.863 329 D CB 2.136 43.014 40.800 0.131 0.000 1.143 329 D HN 0.501 nan 8.370 nan 0.000 0.458 330 V N 1.451 121.447 119.914 0.135 0.000 2.532 330 V HA 0.656 4.787 4.120 0.018 0.000 0.295 330 V C 0.421 176.588 176.094 0.122 0.000 1.041 330 V CA -0.358 61.974 62.300 0.053 0.000 0.926 330 V CB 1.926 33.766 31.823 0.029 0.000 0.992 330 V HN 0.680 nan 8.190 nan 0.000 0.457 331 G N 4.142 112.934 108.800 -0.014 0.000 2.702 331 G HA2 0.558 4.529 3.960 0.018 0.000 0.295 331 G HA3 0.558 4.529 3.960 0.018 0.000 0.295 331 G C -1.083 173.940 174.900 0.205 0.000 1.446 331 G CA -0.430 44.748 45.100 0.131 0.000 0.983 331 G HN 0.413 nan 8.290 nan 0.000 0.520 332 F N 2.434 122.572 119.950 0.315 0.000 2.506 332 F HA 0.577 5.115 4.527 0.018 0.000 0.371 332 F C 0.987 177.028 175.800 0.402 0.000 1.078 332 F CA -0.051 58.191 58.000 0.403 0.000 1.195 332 F CB 1.096 40.384 39.000 0.479 0.000 1.099 332 F HN 0.642 nan 8.300 nan 0.000 0.548 333 R N 0.886 121.748 120.500 0.603 0.000 2.709 333 R HA 0.450 4.801 4.340 0.018 0.000 0.270 333 R C -1.879 174.629 176.300 0.346 0.000 1.038 333 R CA -1.027 55.240 56.100 0.279 0.000 0.872 333 R CB 0.988 31.437 30.300 0.248 0.000 1.259 333 R HN 0.494 nan 8.270 nan 0.000 0.473 334 E N 1.283 121.578 120.200 0.159 0.000 2.210 334 E HA 0.550 4.911 4.350 0.018 0.000 0.266 334 E C -1.250 175.438 176.600 0.145 0.000 0.883 334 E CA -1.103 55.446 56.400 0.248 0.000 0.761 334 E CB 2.159 32.078 29.700 0.364 0.000 1.156 334 E HN 0.429 nan 8.360 nan 0.000 0.412 335 V N 5.464 125.452 119.914 0.123 0.000 2.350 335 V HA 0.537 4.668 4.120 0.018 0.000 0.285 335 V C -0.216 175.919 176.094 0.069 0.000 1.014 335 V CA -0.620 61.721 62.300 0.068 0.000 0.831 335 V CB 1.144 32.982 31.823 0.025 0.000 1.000 335 V HN 0.621 nan 8.190 nan 0.000 0.433 336 R N 4.180 124.719 120.500 0.064 0.000 2.651 336 R HA 0.634 4.984 4.340 0.018 0.000 0.278 336 R C -1.415 174.909 176.300 0.040 0.000 1.010 336 R CA -0.860 55.276 56.100 0.059 0.000 0.896 336 R CB 2.916 33.263 30.300 0.077 0.000 1.211 336 R HN 0.538 nan 8.270 nan 0.000 0.456 337 I N 1.821 122.412 120.570 0.034 0.000 2.342 337 I HA 0.170 4.351 4.170 0.018 0.000 0.291 337 I C -0.149 175.986 176.117 0.029 0.000 1.010 337 I CA 0.046 61.361 61.300 0.025 0.000 1.308 337 I CB 1.274 39.289 38.000 0.025 0.000 1.400 337 I HN 0.581 nan 8.210 nan 0.000 0.488 338 E N 6.197 126.411 120.200 0.024 0.000 2.294 338 E HA 0.267 4.627 4.350 0.018 0.000 0.272 338 E C -0.191 176.420 176.600 0.018 0.000 0.896 338 E CA -0.492 55.923 56.400 0.026 0.000 0.802 338 E CB 0.782 30.503 29.700 0.035 0.000 1.267 338 E HN 0.484 nan 8.360 nan 0.000 0.406 339 N N 3.698 122.408 118.700 0.017 0.000 2.776 339 N HA -0.209 4.542 4.740 0.018 0.000 0.250 339 N C 0.593 176.107 175.510 0.006 0.000 1.112 339 N CA 2.308 55.365 53.050 0.012 0.000 0.733 339 N CB -1.175 37.319 38.487 0.011 0.000 1.097 339 N HN 1.173 nan 8.380 nan 0.000 0.558 340 G N -2.178 106.626 108.800 0.006 0.000 2.176 340 G HA2 -0.260 3.711 3.960 0.018 0.000 0.253 340 G HA3 -0.260 3.711 3.960 0.018 0.000 0.253 340 G C -0.147 174.745 174.900 -0.012 0.000 0.979 340 G CA 0.426 45.525 45.100 -0.001 0.000 0.641 340 G HN 0.456 nan 8.290 nan 0.000 0.530 341 L N -0.076 121.141 121.223 -0.010 0.000 2.362 341 L HA 0.743 5.094 4.340 0.018 0.000 0.271 341 L C -0.036 176.823 176.870 -0.017 0.000 1.002 341 L CA -1.351 53.476 54.840 -0.022 0.000 0.818 341 L CB 1.918 43.965 42.059 -0.020 0.000 1.298 341 L HN 0.087 nan 8.230 nan 0.000 0.420 342 L N 3.847 125.048 121.223 -0.036 0.000 2.281 342 L HA 0.510 4.860 4.340 0.018 0.000 0.285 342 L C -0.938 175.912 176.870 -0.033 0.000 1.074 342 L CA 0.323 55.142 54.840 -0.035 0.000 0.817 342 L CB 0.545 42.569 42.059 -0.058 0.000 1.168 342 L HN 0.383 nan 8.230 nan 0.000 0.434 343 L N 5.828 127.048 121.223 -0.005 0.000 2.362 343 L HA 0.587 4.938 4.340 0.018 0.000 0.271 343 L C -1.009 175.878 176.870 0.028 0.000 1.002 343 L CA -0.827 54.023 54.840 0.015 0.000 0.818 343 L CB 2.014 44.105 42.059 0.053 0.000 1.298 343 L HN 0.531 nan 8.230 nan 0.000 0.420 344 L N 3.313 124.565 121.223 0.048 0.000 2.349 344 L HA 0.528 4.879 4.340 0.018 0.000 0.278 344 L C -0.273 176.666 176.870 0.115 0.000 0.996 344 L CA 0.044 54.926 54.840 0.071 0.000 0.825 344 L CB 1.141 43.236 42.059 0.059 0.000 1.243 344 L HN 0.591 nan 8.230 nan 0.000 0.412 345 N N 4.246 122.932 118.700 -0.023 0.000 2.725 345 N HA -0.199 4.551 4.740 0.018 0.000 0.251 345 N C 0.948 176.308 175.510 -0.251 0.000 1.031 345 N CA 1.433 54.280 53.050 -0.338 0.000 0.720 345 N CB -1.054 37.120 38.487 -0.522 0.000 0.930 345 N HN 1.207 nan 8.380 nan 0.000 0.543 346 G N -1.883 106.962 108.800 0.075 0.000 2.212 346 G HA2 -0.361 3.610 3.960 0.018 0.000 0.266 346 G HA3 -0.361 3.610 3.960 0.018 0.000 0.266 346 G C 0.047 174.999 174.900 0.088 0.000 0.978 346 G CA 1.015 46.214 45.100 0.164 0.000 0.632 346 G HN 0.503 nan 8.290 nan 0.000 0.537 347 K N 0.806 121.249 120.400 0.071 0.000 2.259 347 K HA 0.513 4.844 4.320 0.018 0.000 0.249 347 K C -2.951 173.637 176.600 -0.021 0.000 0.942 347 K CA -2.001 54.280 56.287 -0.011 0.000 0.816 347 K CB 2.811 35.216 32.500 -0.158 0.000 1.155 347 K HN -0.014 nan 8.250 nan 0.000 0.428 348 P HA 0.211 nan 4.420 nan 0.000 0.287 348 P C -0.224 177.027 177.300 -0.082 0.000 1.307 348 P CA -0.262 62.803 63.100 -0.058 0.000 0.777 348 P CB 0.411 32.078 31.700 -0.055 0.000 0.883 349 L N 3.599 124.768 121.223 -0.090 0.000 2.461 349 L HA 0.202 4.552 4.340 0.018 0.000 0.272 349 L C 0.606 177.410 176.870 -0.111 0.000 1.197 349 L CA -0.365 54.409 54.840 -0.110 0.000 0.836 349 L CB 0.180 42.130 42.059 -0.182 0.000 1.105 349 L HN 0.249 nan 8.230 nan 0.000 0.477 350 L N 4.256 125.438 121.223 -0.069 0.000 2.343 350 L HA 0.431 4.782 4.340 0.018 0.000 0.278 350 L C -0.448 176.413 176.870 -0.015 0.000 0.996 350 L CA -0.223 54.577 54.840 -0.066 0.000 0.831 350 L CB 1.301 43.373 42.059 0.020 0.000 1.232 350 L HN 0.285 nan 8.230 nan 0.000 0.413 351 I N 5.634 126.130 120.570 -0.124 0.000 2.282 351 I HA 0.274 4.455 4.170 0.018 0.000 0.290 351 I C 0.281 176.395 176.117 -0.004 0.000 1.090 351 I CA -0.230 61.003 61.300 -0.111 0.000 1.231 351 I CB 0.476 38.303 38.000 -0.289 0.000 1.434 351 I HN 0.513 nan 8.210 nan 0.000 0.487 352 R N 4.546 125.146 120.500 0.167 0.000 2.408 352 R HA 0.519 4.869 4.340 0.018 0.000 0.308 352 R C 0.551 176.996 176.300 0.243 0.000 1.210 352 R CA -0.234 56.035 56.100 0.283 0.000 1.115 352 R CB 0.749 31.063 30.300 0.023 0.000 1.127 352 R HN 0.698 nan 8.270 nan 0.000 0.523 353 G N 0.355 109.240 108.800 0.142 0.000 2.685 353 G HA2 0.647 4.618 3.960 0.018 0.000 0.298 353 G HA3 0.647 4.618 3.960 0.018 0.000 0.298 353 G C -1.470 173.622 174.900 0.320 0.000 1.277 353 G CA -0.576 44.536 45.100 0.021 0.000 0.986 353 G HN 0.300 nan 8.290 nan 0.000 0.487 354 V N -0.174 119.933 119.914 0.322 0.000 3.012 354 V HA 0.497 4.628 4.120 0.018 0.000 0.307 354 V C -1.321 174.905 176.094 0.220 0.000 1.166 354 V CA -1.205 61.236 62.300 0.235 0.000 0.974 354 V CB 2.311 34.029 31.823 -0.175 0.000 1.040 354 V HN 0.704 nan 8.190 nan 0.000 0.428 355 N N 4.746 123.502 118.700 0.092 0.000 2.422 355 N HA 0.351 5.102 4.740 0.018 0.000 0.264 355 N C -0.684 174.630 175.510 -0.326 0.000 1.063 355 N CA -0.195 52.771 53.050 -0.140 0.000 0.959 355 N CB 1.245 39.588 38.487 -0.241 0.000 1.087 355 N HN 0.639 nan 8.380 nan 0.000 0.483 356 R N 2.642 122.954 120.500 -0.313 0.000 2.494 356 R HA 0.287 4.638 4.340 0.018 0.000 0.305 356 R C -1.103 174.977 176.300 -0.367 0.000 0.959 356 R CA -0.480 55.446 56.100 -0.290 0.000 0.864 356 R CB 0.927 31.042 30.300 -0.309 0.000 1.159 356 R HN 0.563 nan 8.270 nan 0.000 0.446 357 H N 1.242 120.199 119.070 -0.188 0.000 2.483 357 H HA 0.165 4.732 4.556 0.019 0.000 0.338 357 H C -0.575 174.766 175.328 0.021 0.000 1.152 357 H CA -0.289 55.723 56.048 -0.060 0.000 1.264 357 H CB 1.576 31.349 29.762 0.017 0.000 1.510 357 H HN 0.494 nan 8.280 nan 0.000 0.530 358 E N 2.103 122.509 120.200 0.344 0.000 1.893 358 E HA 0.073 4.434 4.350 0.018 0.000 0.269 358 E C -1.090 175.669 176.600 0.265 0.000 1.129 358 E CA -0.074 56.447 56.400 0.202 0.000 0.904 358 E CB 0.137 29.978 29.700 0.236 0.000 1.077 358 E HN 0.415 nan 8.360 nan 0.000 0.407 359 H N 1.543 120.679 119.070 0.110 0.000 2.771 359 H HA 0.295 4.862 4.556 0.018 0.000 0.361 359 H C -1.553 173.826 175.328 0.085 0.000 1.108 359 H CA -0.721 55.392 56.048 0.108 0.000 1.201 359 H CB 0.979 30.805 29.762 0.107 0.000 1.681 359 H HN 0.316 nan 8.280 nan 0.000 0.534 360 H N 6.356 125.114 119.070 -0.519 0.000 2.924 360 H HA 0.215 4.782 4.556 0.018 0.000 0.333 360 H C -2.294 172.638 175.328 -0.659 0.000 0.979 360 H CA -2.649 53.138 56.048 -0.435 0.000 1.326 360 H CB 2.224 31.880 29.762 -0.178 0.000 1.600 360 H HN 0.559 nan 8.280 nan 0.000 0.520 361 P HA -0.091 nan 4.420 nan 0.000 0.226 361 P C 1.055 178.249 177.300 -0.176 0.000 1.146 361 P CA 0.783 63.785 63.100 -0.164 0.000 0.773 361 P CB 0.793 32.469 31.700 -0.040 0.000 0.772 362 L N -2.348 118.765 121.223 -0.184 0.000 2.547 362 L HA 0.177 4.528 4.340 0.018 0.000 0.218 362 L C 1.948 178.591 176.870 -0.378 0.000 1.048 362 L CA 0.536 55.143 54.840 -0.389 0.000 0.859 362 L CB -0.184 41.517 42.059 -0.598 0.000 1.128 362 L HN -0.039 nan 8.230 nan 0.000 0.483 363 H N -1.038 117.708 119.070 -0.540 0.000 2.542 363 H HA 0.318 4.885 4.556 0.018 0.000 0.283 363 H C 1.291 176.469 175.328 -0.251 0.000 1.059 363 H CA -0.009 55.807 56.048 -0.387 0.000 1.162 363 H CB 0.482 29.940 29.762 -0.506 0.000 1.539 363 H HN 0.355 nan 8.280 nan 0.000 0.543 364 G N 1.816 110.514 108.800 -0.169 0.000 2.611 364 G HA2 -0.417 3.554 3.960 0.018 0.000 0.301 364 G HA3 -0.417 3.554 3.960 0.018 0.000 0.301 364 G C 0.555 175.403 174.900 -0.086 0.000 1.233 364 G CA 0.489 45.473 45.100 -0.194 0.000 0.993 364 G HN 0.504 nan 8.290 nan 0.000 0.553 365 Q N -0.030 119.724 119.800 -0.076 0.000 2.228 365 Q HA 0.500 4.851 4.340 0.018 0.000 0.211 365 Q C 0.379 176.464 176.000 0.142 0.000 0.890 365 Q CA -0.131 55.671 55.803 -0.001 0.000 0.953 365 Q CB 0.779 29.450 28.738 -0.112 0.000 1.053 365 Q HN 0.416 nan 8.270 nan 0.000 0.471 366 V N 1.422 121.420 119.914 0.140 0.000 2.546 366 V HA 0.283 4.413 4.120 0.018 0.000 0.284 366 V C 0.090 176.292 176.094 0.180 0.000 1.050 366 V CA -0.224 62.178 62.300 0.171 0.000 0.981 366 V CB 1.204 33.054 31.823 0.045 0.000 0.990 366 V HN 0.368 nan 8.190 nan 0.000 0.474 367 M N 4.897 124.588 119.600 0.152 0.000 2.528 367 M HA 0.531 5.022 4.480 0.018 0.000 0.321 367 M C -0.682 175.622 176.300 0.008 0.000 1.153 367 M CA -0.662 54.689 55.300 0.085 0.000 0.951 367 M CB 2.026 34.620 32.600 -0.009 0.000 1.705 367 M HN 0.890 nan 8.290 nan 0.000 0.451 368 D N 0.282 120.704 120.400 0.038 0.000 2.523 368 D HA 0.221 4.872 4.640 0.018 0.000 0.236 368 D C 0.213 176.521 176.300 0.012 0.000 1.094 368 D CA -0.430 53.583 54.000 0.021 0.000 0.942 368 D CB 1.812 42.675 40.800 0.105 0.000 1.447 368 D HN 0.746 nan 8.370 nan 0.000 0.479 369 E N 0.102 120.316 120.200 0.024 0.000 2.070 369 E HA -0.293 4.068 4.350 0.018 0.000 0.197 369 E C 1.317 177.969 176.600 0.086 0.000 1.004 369 E CA 1.526 57.963 56.400 0.062 0.000 0.805 369 E CB 0.109 29.860 29.700 0.085 0.000 0.744 369 E HN 0.319 nan 8.360 nan 0.000 0.451 370 Q N 0.291 120.142 119.800 0.085 0.000 2.029 370 Q HA -0.179 4.172 4.340 0.018 0.000 0.209 370 Q C 2.399 178.444 176.000 0.074 0.000 0.999 370 Q CA 2.261 58.115 55.803 0.084 0.000 0.857 370 Q CB -1.237 27.553 28.738 0.088 0.000 0.926 370 Q HN 0.336 nan 8.270 nan 0.000 0.415 371 T N 1.731 116.325 114.554 0.067 0.000 2.759 371 T HA -0.116 4.245 4.350 0.018 0.000 0.269 371 T C 1.998 176.739 174.700 0.067 0.000 1.042 371 T CA 1.430 63.550 62.100 0.032 0.000 1.140 371 T CB -0.178 68.678 68.868 -0.021 0.000 0.864 371 T HN 0.216 nan 8.240 nan 0.000 0.455 372 M N 0.451 120.109 119.600 0.097 0.000 2.084 372 M HA -0.106 4.385 4.480 0.018 0.000 0.259 372 M C 2.470 178.909 176.300 0.231 0.000 1.072 372 M CA 1.508 56.947 55.300 0.232 0.000 1.107 372 M CB -0.840 31.951 32.600 0.319 0.000 1.299 372 M HN 0.074 nan 8.290 nan 0.000 0.413 373 V N 0.450 120.444 119.914 0.132 0.000 2.453 373 V HA -0.309 3.822 4.120 0.018 0.000 0.252 373 V C 2.348 178.433 176.094 -0.014 0.000 1.068 373 V CA 2.148 64.461 62.300 0.022 0.000 1.070 373 V CB -1.043 30.814 31.823 0.057 0.000 0.664 373 V HN 0.570 nan 8.190 nan 0.000 0.461 374 Q N -0.085 119.744 119.800 0.048 0.000 2.020 374 Q HA -0.251 4.100 4.340 0.018 0.000 0.202 374 Q C 2.041 178.091 176.000 0.083 0.000 0.982 374 Q CA 2.126 57.963 55.803 0.057 0.000 0.838 374 Q CB -0.152 28.628 28.738 0.070 0.000 0.899 374 Q HN 0.600 nan 8.270 nan 0.000 0.423 375 D N 0.547 121.025 120.400 0.131 0.000 2.116 375 D HA -0.189 4.462 4.640 0.018 0.000 0.193 375 D C 1.920 178.212 176.300 -0.014 0.000 0.998 375 D CA 1.344 55.440 54.000 0.160 0.000 0.836 375 D CB -0.304 40.587 40.800 0.153 0.000 0.951 375 D HN 0.351 nan 8.370 nan 0.000 0.449 376 I N 0.736 121.278 120.570 -0.046 0.000 2.118 376 I HA -0.294 3.887 4.170 0.018 0.000 0.241 376 I C 2.412 178.406 176.117 -0.205 0.000 1.070 376 I CA 0.888 62.057 61.300 -0.218 0.000 1.327 376 I CB -0.292 37.484 38.000 -0.373 0.000 1.034 376 I HN 0.057 nan 8.210 nan 0.000 0.405 377 L N 0.037 121.163 121.223 -0.161 0.000 2.012 377 L HA -0.247 4.104 4.340 0.018 0.000 0.210 377 L C 2.632 179.552 176.870 0.084 0.000 1.073 377 L CA 1.524 56.344 54.840 -0.033 0.000 0.748 377 L CB -0.964 41.092 42.059 -0.005 0.000 0.891 377 L HN 0.281 nan 8.230 nan 0.000 0.431 378 L N -0.903 120.401 121.223 0.135 0.000 2.046 378 L HA -0.222 4.129 4.340 0.018 0.000 0.208 378 L C 2.701 179.738 176.870 0.278 0.000 1.077 378 L CA 1.501 56.501 54.840 0.267 0.000 0.747 378 L CB -0.560 41.753 42.059 0.422 0.000 0.896 378 L HN 0.168 nan 8.230 nan 0.000 0.432 379 M N -0.453 119.179 119.600 0.054 0.000 2.110 379 M HA -0.300 4.191 4.480 0.018 0.000 0.257 379 M C 2.383 178.775 176.300 0.153 0.000 1.071 379 M CA 1.987 57.232 55.300 -0.090 0.000 1.096 379 M CB -0.293 32.053 32.600 -0.423 0.000 1.300 379 M HN 0.123 nan 8.290 nan 0.000 0.411 380 K N -0.477 119.897 120.400 -0.043 0.000 2.057 380 K HA -0.192 4.139 4.320 0.018 0.000 0.207 380 K C 1.934 178.499 176.600 -0.058 0.000 1.049 380 K CA 1.426 57.563 56.287 -0.249 0.000 0.931 380 K CB -0.394 31.666 32.500 -0.733 0.000 0.714 380 K HN 0.526 nan 8.250 nan 0.000 0.440 381 Q N 0.640 120.575 119.800 0.225 0.000 2.234 381 Q HA -0.083 4.268 4.340 0.018 0.000 0.206 381 Q C 1.309 177.576 176.000 0.445 0.000 0.980 381 Q CA 0.929 56.975 55.803 0.405 0.000 0.869 381 Q CB -0.033 28.893 28.738 0.314 0.000 0.912 381 Q HN 0.329 nan 8.270 nan 0.000 0.436 382 N N 0.345 119.260 118.700 0.357 0.000 2.322 382 N HA 0.007 4.758 4.740 0.018 0.000 0.194 382 N C -0.449 175.083 175.510 0.036 0.000 1.126 382 N CA 0.189 53.420 53.050 0.302 0.000 0.845 382 N CB 0.565 39.312 38.487 0.433 0.000 0.976 382 N HN 0.215 nan 8.380 nan 0.000 0.475 383 N N -0.292 118.439 118.700 0.053 0.000 2.990 383 N HA -0.148 4.603 4.740 0.018 0.000 0.247 383 N C -1.113 174.219 175.510 -0.297 0.000 1.096 383 N CA 0.497 53.450 53.050 -0.162 0.000 0.797 383 N CB -1.707 36.558 38.487 -0.370 0.000 1.114 383 N HN 0.168 nan 8.380 nan 0.000 0.549 384 F N 0.621 120.554 119.950 -0.029 0.000 2.422 384 F HA 0.374 4.911 4.527 0.017 0.000 0.333 384 F C 1.694 177.489 175.800 -0.009 0.000 1.095 384 F CA -0.612 57.377 58.000 -0.018 0.000 1.038 384 F CB 1.124 40.090 39.000 -0.056 0.000 1.156 384 F HN -0.140 nan 8.300 nan 0.000 0.483 385 N N 0.751 119.592 118.700 0.235 0.000 2.454 385 N HA 0.343 5.093 4.740 0.018 0.000 0.177 385 N C -0.475 175.125 175.510 0.150 0.000 1.049 385 N CA 0.059 53.213 53.050 0.174 0.000 0.887 385 N CB 0.571 39.325 38.487 0.444 0.000 1.095 385 N HN 0.551 nan 8.380 nan 0.000 0.446 386 A N 0.217 123.176 122.820 0.231 0.000 2.515 386 A HA 0.707 5.038 4.320 0.018 0.000 0.296 386 A C -1.606 176.127 177.584 0.247 0.000 1.094 386 A CA -0.535 51.664 52.037 0.270 0.000 0.718 386 A CB 1.735 20.939 19.000 0.341 0.000 1.307 386 A HN -0.074 nan 8.150 nan 0.000 0.408 387 V N 1.486 121.582 119.914 0.304 0.000 2.588 387 V HA 0.713 4.844 4.120 0.018 0.000 0.304 387 V C -0.501 175.754 176.094 0.270 0.000 1.042 387 V CA -0.726 61.731 62.300 0.260 0.000 0.877 387 V CB 1.633 33.543 31.823 0.145 0.000 0.996 387 V HN 0.936 nan 8.190 nan 0.000 0.425 388 R N 5.567 126.130 120.500 0.104 0.000 2.288 388 R HA 0.394 4.745 4.340 0.018 0.000 0.326 388 R C -0.615 175.563 176.300 -0.203 0.000 0.959 388 R CA -0.533 55.437 56.100 -0.217 0.000 0.834 388 R CB 0.821 30.715 30.300 -0.676 0.000 1.157 388 R HN 0.827 nan 8.270 nan 0.000 0.470 389 C N 4.146 123.351 119.300 -0.157 0.000 3.461 389 C HA 0.039 4.510 4.460 0.018 0.000 0.525 389 C C 0.775 175.487 174.990 -0.464 0.000 1.028 389 C CA -0.260 58.607 59.018 -0.251 0.000 1.068 389 C CB -2.232 25.469 27.740 -0.065 0.000 1.402 389 C HN 0.652 nan 8.230 nan 0.000 0.612 390 S N 1.445 116.746 115.700 -0.665 0.000 2.443 390 S HA 0.197 4.678 4.470 0.018 0.000 0.284 390 S C -0.090 173.652 174.600 -1.431 0.000 1.206 390 S CA 0.074 57.625 58.200 -1.081 0.000 1.074 390 S CB 0.083 62.545 63.200 -1.229 0.000 0.963 390 S HN 0.737 nan 8.310 nan 0.000 0.501 391 H N 3.420 121.874 119.070 -1.027 0.000 2.823 391 H HA 0.275 4.842 4.556 0.018 0.000 0.222 391 H C -1.246 173.989 175.328 -0.154 0.000 1.414 391 H CA -0.353 55.488 56.048 -0.346 0.000 1.289 391 H CB -0.032 29.748 29.762 0.031 0.000 1.970 391 H HN 0.894 nan 8.280 nan 0.000 0.517 392 Y N -2.856 117.545 120.300 0.168 0.000 2.687 392 Y HA 0.436 4.997 4.550 0.019 0.000 0.338 392 Y C -3.284 172.720 175.900 0.172 0.000 1.189 392 Y CA -3.083 55.122 58.100 0.175 0.000 1.097 392 Y CB -0.006 38.561 38.460 0.179 0.000 1.342 392 Y HN -0.114 nan 8.280 nan 0.000 0.461 393 P HA 0.119 nan 4.420 nan 0.000 0.269 393 P C -0.762 176.818 177.300 0.467 0.000 1.211 393 P CA 0.234 63.560 63.100 0.376 0.000 0.781 393 P CB 0.597 32.461 31.700 0.273 0.000 0.877 394 N N -0.410 118.578 118.700 0.480 0.000 2.525 394 N HA 0.154 4.905 4.740 0.018 0.000 0.288 394 N C -0.396 175.357 175.510 0.404 0.000 1.242 394 N CA -0.647 52.608 53.050 0.342 0.000 0.905 394 N CB 0.632 39.113 38.487 -0.010 0.000 1.258 394 N HN 0.564 nan 8.380 nan 0.000 0.551 395 H N 2.320 121.494 119.070 0.173 0.000 3.004 395 H HA 0.047 4.614 4.556 0.018 0.000 0.316 395 H C -1.706 173.798 175.328 0.294 0.000 1.014 395 H CA -1.136 55.021 56.048 0.182 0.000 1.454 395 H CB 0.954 30.776 29.762 0.100 0.000 1.472 395 H HN 0.420 nan 8.280 nan 0.000 0.571 396 P HA -0.263 nan 4.420 nan 0.000 0.219 396 P C 1.841 179.499 177.300 0.596 0.000 1.153 396 P CA 0.756 64.163 63.100 0.512 0.000 0.865 396 P CB 0.312 32.129 31.700 0.194 0.000 0.788 397 L N -1.138 120.471 121.223 0.645 0.000 1.970 397 L HA -0.130 4.221 4.340 0.018 0.000 0.212 397 L C 2.466 179.514 176.870 0.297 0.000 1.071 397 L CA 1.654 56.738 54.840 0.407 0.000 0.751 397 L CB -1.902 40.325 42.059 0.280 0.000 0.889 397 L HN 0.106 nan 8.230 nan 0.000 0.432 398 W N -0.409 120.884 121.300 -0.013 0.000 2.262 398 W HA -0.487 4.184 4.660 0.017 0.000 0.349 398 W C 2.519 178.835 176.519 -0.338 0.000 1.437 398 W CA 2.551 59.751 57.345 -0.243 0.000 1.392 398 W CB -0.817 28.355 29.460 -0.480 0.000 1.078 398 W HN 0.284 nan 8.180 nan 0.000 0.470 399 Y N 0.222 120.494 120.300 -0.046 0.000 2.081 399 Y HA -0.319 4.242 4.550 0.018 0.000 0.280 399 Y C 2.829 178.400 175.900 -0.549 0.000 1.163 399 Y CA 2.396 60.179 58.100 -0.528 0.000 1.135 399 Y CB -1.519 36.293 38.460 -1.080 0.000 0.970 399 Y HN -0.107 nan 8.280 nan 0.000 0.498 400 T N 0.892 115.376 114.554 -0.117 0.000 2.607 400 T HA -0.241 4.120 4.350 0.018 0.000 0.267 400 T C 2.030 176.708 174.700 -0.036 0.000 1.049 400 T CA 1.954 64.078 62.100 0.040 0.000 1.162 400 T CB -0.782 68.198 68.868 0.186 0.000 0.863 400 T HN 0.222 nan 8.240 nan 0.000 0.424 401 L N 0.446 121.632 121.223 -0.062 0.000 2.021 401 L HA -0.210 4.141 4.340 0.018 0.000 0.215 401 L C 3.005 179.823 176.870 -0.087 0.000 1.074 401 L CA 1.313 56.134 54.840 -0.032 0.000 0.760 401 L CB -0.990 41.025 42.059 -0.074 0.000 0.889 401 L HN 0.411 nan 8.230 nan 0.000 0.433 402 C N -0.045 119.051 119.300 -0.339 0.000 2.413 402 C HA -0.174 4.297 4.460 0.018 0.000 0.276 402 C C 2.444 177.442 174.990 0.012 0.000 1.248 402 C CA 0.757 59.609 59.018 -0.277 0.000 1.742 402 C CB -0.975 26.487 27.740 -0.463 0.000 2.017 402 C HN 0.578 nan 8.230 nan 0.000 0.481 403 D N 0.448 120.830 120.400 -0.030 0.000 2.123 403 D HA -0.117 4.534 4.640 0.018 0.000 0.196 403 D C 2.336 178.808 176.300 0.286 0.000 0.992 403 D CA 1.265 55.318 54.000 0.088 0.000 0.833 403 D CB -0.406 40.397 40.800 0.004 0.000 0.954 403 D HN 0.584 nan 8.370 nan 0.000 0.455 404 R N -0.963 119.589 120.500 0.085 0.000 2.090 404 R HA 0.055 4.406 4.340 0.018 0.000 0.219 404 R C 2.270 178.475 176.300 -0.158 0.000 1.100 404 R CA 0.422 56.503 56.100 -0.033 0.000 0.991 404 R CB -0.326 29.865 30.300 -0.181 0.000 0.893 404 R HN 0.271 nan 8.270 nan 0.000 0.443 405 Y N 0.617 120.923 120.300 0.010 0.000 2.263 405 Y HA 0.068 4.628 4.550 0.018 0.000 0.292 405 Y C 1.109 176.941 175.900 -0.113 0.000 1.130 405 Y CA 1.073 59.151 58.100 -0.038 0.000 1.179 405 Y CB 0.374 38.779 38.460 -0.092 0.000 0.998 405 Y HN 0.298 nan 8.280 nan 0.000 0.532 406 G N 0.970 109.785 108.800 0.024 0.000 2.721 406 G HA2 -0.101 3.870 3.960 0.018 0.000 0.462 406 G HA3 -0.101 3.870 3.960 0.018 0.000 0.462 406 G C -1.205 173.523 174.900 -0.286 0.000 1.062 406 G CA -0.626 44.358 45.100 -0.194 0.000 1.233 406 G HN 0.136 nan 8.290 nan 0.000 0.545 407 L N 0.841 121.951 121.223 -0.188 0.000 2.472 407 L HA 0.507 4.858 4.340 0.018 0.000 0.260 407 L C -0.114 176.643 176.870 -0.189 0.000 0.963 407 L CA -1.336 53.328 54.840 -0.293 0.000 0.829 407 L CB 2.105 44.033 42.059 -0.218 0.000 1.348 407 L HN 0.459 nan 8.230 nan 0.000 0.408 408 Y N 1.430 121.816 120.300 0.143 0.000 2.359 408 Y HA 0.368 4.930 4.550 0.020 0.000 0.330 408 Y C 0.220 176.204 175.900 0.139 0.000 1.143 408 Y CA -0.575 57.635 58.100 0.183 0.000 1.318 408 Y CB 1.172 39.734 38.460 0.170 0.000 1.234 408 Y HN 0.113 nan 8.280 nan 0.000 0.522 409 V N 4.051 124.121 119.914 0.260 0.000 2.540 409 V HA 0.313 4.444 4.120 0.018 0.000 0.302 409 V C -0.564 175.615 176.094 0.141 0.000 1.035 409 V CA -1.051 61.357 62.300 0.179 0.000 0.873 409 V CB 1.725 33.616 31.823 0.114 0.000 0.992 409 V HN 0.479 nan 8.190 nan 0.000 0.428 410 V N 3.334 123.323 119.914 0.124 0.000 2.348 410 V HA 0.317 4.448 4.120 0.018 0.000 0.270 410 V C -0.196 175.944 176.094 0.077 0.000 1.037 410 V CA -0.263 62.060 62.300 0.040 0.000 0.872 410 V CB 1.326 33.097 31.823 -0.086 0.000 1.002 410 V HN 0.897 nan 8.190 nan 0.000 0.464 411 D N 3.935 124.408 120.400 0.122 0.000 2.210 411 D HA 0.394 5.045 4.640 0.018 0.000 0.249 411 D C -0.286 176.174 176.300 0.267 0.000 1.078 411 D CA -0.104 54.047 54.000 0.252 0.000 0.875 411 D CB 1.395 42.387 40.800 0.319 0.000 1.175 411 D HN 0.669 nan 8.370 nan 0.000 0.440 412 E N 1.184 121.516 120.200 0.220 0.000 2.248 412 E HA 0.635 4.996 4.350 0.018 0.000 0.267 412 E C -1.006 175.721 176.600 0.212 0.000 0.877 412 E CA -1.110 55.413 56.400 0.204 0.000 0.759 412 E CB 1.514 31.292 29.700 0.131 0.000 1.182 412 E HN 0.504 nan 8.360 nan 0.000 0.418 413 A N 3.345 126.286 122.820 0.201 0.000 2.483 413 A HA 0.044 4.375 4.320 0.018 0.000 0.238 413 A C 0.220 177.925 177.584 0.202 0.000 1.070 413 A CA -0.132 52.006 52.037 0.168 0.000 0.770 413 A CB 0.130 19.202 19.000 0.121 0.000 1.008 413 A HN 0.627 nan 8.150 nan 0.000 0.497 414 N N 1.050 119.873 118.700 0.206 0.000 2.605 414 N HA 0.354 5.105 4.740 0.018 0.000 0.258 414 N C -1.066 174.563 175.510 0.199 0.000 1.156 414 N CA 0.163 53.367 53.050 0.257 0.000 1.008 414 N CB -0.717 37.922 38.487 0.252 0.000 1.354 414 N HN 0.457 nan 8.380 nan 0.000 0.509 415 I N 1.502 122.189 120.570 0.194 0.000 2.586 415 I HA 0.193 4.374 4.170 0.018 0.000 0.281 415 I C -0.793 175.407 176.117 0.137 0.000 1.145 415 I CA -0.489 60.902 61.300 0.152 0.000 1.073 415 I CB 1.574 39.646 38.000 0.120 0.000 1.238 415 I HN 0.302 nan 8.210 nan 0.000 0.461 416 E N 4.251 124.518 120.200 0.111 0.000 2.294 416 E HA 0.348 4.708 4.350 0.018 0.000 0.272 416 E C -0.369 176.252 176.600 0.035 0.000 0.896 416 E CA -0.431 56.000 56.400 0.051 0.000 0.802 416 E CB 1.750 31.447 29.700 -0.006 0.000 1.267 416 E HN 0.588 nan 8.360 nan 0.000 0.406 417 T N 0.712 115.286 114.554 0.032 0.000 3.248 417 T HA 0.129 4.490 4.350 0.018 0.000 0.271 417 T C 1.065 175.789 174.700 0.039 0.000 1.005 417 T CA -0.130 62.010 62.100 0.067 0.000 0.902 417 T CB -0.332 68.566 68.868 0.050 0.000 1.102 417 T HN 0.678 nan 8.240 nan 0.000 0.548 418 H N 1.509 120.477 119.070 -0.170 0.000 2.304 418 H HA -0.170 4.397 4.556 0.019 0.000 0.287 418 H C 2.205 177.419 175.328 -0.190 0.000 1.112 418 H CA 1.514 57.438 56.048 -0.206 0.000 1.200 418 H CB -0.342 29.255 29.762 -0.274 0.000 1.349 418 H HN 0.575 nan 8.280 nan 0.000 0.477 419 G N 0.186 108.904 108.800 -0.137 0.000 2.990 419 G HA2 0.016 3.987 3.960 0.018 0.000 0.206 419 G HA3 0.016 3.987 3.960 0.018 0.000 0.206 419 G C 0.200 175.240 174.900 0.233 0.000 1.169 419 G CA -0.091 45.002 45.100 -0.011 0.000 0.819 419 G HN 0.180 nan 8.290 nan 0.000 0.517 420 M N 0.327 120.044 119.600 0.196 0.000 2.359 420 M HA 0.387 4.878 4.480 0.018 0.000 0.322 420 M C -0.646 175.675 176.300 0.034 0.000 1.166 420 M CA -0.528 54.840 55.300 0.112 0.000 1.067 420 M CB 1.800 34.430 32.600 0.050 0.000 1.523 420 M HN -0.220 nan 8.290 nan 0.000 0.467 421 V N 3.183 123.100 119.914 0.005 0.000 2.376 421 V HA 0.370 4.500 4.120 0.018 0.000 0.287 421 V C -2.025 174.056 176.094 -0.023 0.000 1.015 421 V CA -1.270 61.023 62.300 -0.012 0.000 0.834 421 V CB 1.339 33.152 31.823 -0.016 0.000 1.001 421 V HN 0.702 nan 8.190 nan 0.000 0.428 422 P HA 0.278 nan 4.420 nan 0.000 0.297 422 P C 0.973 178.265 177.300 -0.014 0.000 1.303 422 P CA -0.598 62.491 63.100 -0.018 0.000 0.753 422 P CB 0.966 32.657 31.700 -0.014 0.000 1.281 423 M N -0.353 119.241 119.600 -0.009 0.000 2.549 423 M HA -0.123 4.368 4.480 0.018 0.000 0.260 423 M C 1.718 178.019 176.300 0.001 0.000 1.076 423 M CA 1.307 56.607 55.300 -0.000 0.000 1.090 423 M CB -0.681 31.905 32.600 -0.022 0.000 1.418 423 M HN 0.355 nan 8.290 nan 0.000 0.486 424 N N 0.023 118.720 118.700 -0.004 0.000 2.188 424 N HA -0.198 4.553 4.740 0.018 0.000 0.184 424 N C 1.624 177.095 175.510 -0.065 0.000 1.018 424 N CA 0.690 53.733 53.050 -0.013 0.000 0.858 424 N CB 0.109 38.592 38.487 -0.007 0.000 0.989 424 N HN 0.230 nan 8.380 nan 0.000 0.426 425 R N 0.592 121.049 120.500 -0.072 0.000 2.293 425 R HA -0.253 4.098 4.340 0.018 0.000 0.245 425 R C 1.843 178.038 176.300 -0.176 0.000 1.105 425 R CA 2.100 58.134 56.100 -0.110 0.000 0.916 425 R CB -0.506 29.730 30.300 -0.106 0.000 0.963 425 R HN 0.277 nan 8.270 nan 0.000 0.429 426 L N -1.212 119.841 121.223 -0.285 0.000 2.168 426 L HA -0.021 4.330 4.340 0.018 0.000 0.203 426 L C 2.573 179.263 176.870 -0.301 0.000 1.078 426 L CA 1.312 55.861 54.840 -0.484 0.000 0.780 426 L CB -0.629 40.936 42.059 -0.822 0.000 0.939 426 L HN 0.515 nan 8.230 nan 0.000 0.451 427 T N -3.795 110.604 114.554 -0.259 0.000 2.897 427 T HA -0.222 4.139 4.350 0.018 0.000 0.271 427 T C 1.416 175.960 174.700 -0.259 0.000 1.084 427 T CA 1.554 63.472 62.100 -0.304 0.000 1.123 427 T CB -0.255 68.409 68.868 -0.340 0.000 0.865 427 T HN 0.136 nan 8.240 nan 0.000 0.496 428 D N 0.998 121.302 120.400 -0.160 0.000 2.366 428 D HA 0.087 4.738 4.640 0.018 0.000 0.205 428 D C 0.115 176.378 176.300 -0.062 0.000 1.022 428 D CA -0.011 53.922 54.000 -0.112 0.000 0.868 428 D CB -0.201 40.554 40.800 -0.075 0.000 0.953 428 D HN 0.354 nan 8.370 nan 0.000 0.514 429 D N 0.104 120.484 120.400 -0.033 0.000 2.295 429 D HA 0.067 4.717 4.640 0.018 0.000 0.248 429 D C -1.662 174.690 176.300 0.087 0.000 1.154 429 D CA -1.971 52.061 54.000 0.053 0.000 0.857 429 D CB 1.997 42.873 40.800 0.127 0.000 1.117 429 D HN -0.032 nan 8.370 nan 0.000 0.468 430 P HA -0.124 nan 4.420 nan 0.000 0.218 430 P C 1.049 178.341 177.300 -0.012 0.000 1.148 430 P CA 0.911 64.011 63.100 -0.001 0.000 0.822 430 P CB 0.204 31.892 31.700 -0.019 0.000 0.784 431 R N -1.674 118.825 120.500 -0.001 0.000 2.241 431 R HA -0.102 4.249 4.340 0.018 0.000 0.224 431 R C 1.630 177.753 176.300 -0.296 0.000 1.101 431 R CA 1.192 57.200 56.100 -0.153 0.000 0.995 431 R CB -0.708 29.470 30.300 -0.204 0.000 0.870 431 R HN 0.359 nan 8.270 nan 0.000 0.463 432 W N 0.049 121.282 121.300 -0.111 0.000 3.177 432 W HA 0.126 4.796 4.660 0.017 0.000 0.309 432 W C 1.635 178.083 176.519 -0.118 0.000 1.224 432 W CA -0.603 56.675 57.345 -0.111 0.000 1.718 432 W CB -0.144 29.246 29.460 -0.116 0.000 1.078 432 W HN -0.023 nan 8.180 nan 0.000 0.618 433 L N 2.382 123.636 121.223 0.050 0.000 2.089 433 L HA -0.130 4.221 4.340 0.018 0.000 0.213 433 L C -0.905 175.924 176.870 -0.069 0.000 1.079 433 L CA 2.358 57.180 54.840 -0.029 0.000 0.758 433 L CB -1.722 40.307 42.059 -0.050 0.000 0.891 433 L HN -0.197 nan 8.230 nan 0.000 0.433 434 P HA -0.040 nan 4.420 nan 0.000 0.213 434 P C 1.735 178.976 177.300 -0.099 0.000 1.169 434 P CA 2.030 65.060 63.100 -0.116 0.000 0.885 434 P CB -0.280 31.339 31.700 -0.136 0.000 0.779 435 A N -0.194 122.573 122.820 -0.089 0.000 1.896 435 A HA -0.298 4.033 4.320 0.018 0.000 0.220 435 A C 2.313 179.907 177.584 0.017 0.000 1.206 435 A CA 2.710 54.733 52.037 -0.023 0.000 0.647 435 A CB -1.796 17.238 19.000 0.056 0.000 0.828 435 A HN 0.092 nan 8.150 nan 0.000 0.455 436 M N -0.053 119.574 119.600 0.044 0.000 2.082 436 M HA -0.206 4.284 4.480 0.018 0.000 0.258 436 M C 2.632 178.889 176.300 -0.071 0.000 1.069 436 M CA 2.135 57.437 55.300 0.003 0.000 1.102 436 M CB -0.584 31.994 32.600 -0.037 0.000 1.336 436 M HN 0.752 nan 8.290 nan 0.000 0.404 437 S N 0.364 115.991 115.700 -0.122 0.000 2.374 437 S HA -0.201 4.280 4.470 0.018 0.000 0.227 437 S C 1.610 176.059 174.600 -0.251 0.000 1.037 437 S CA 1.569 59.637 58.200 -0.221 0.000 1.024 437 S CB -0.635 62.411 63.200 -0.257 0.000 0.861 437 S HN 0.505 nan 8.310 nan 0.000 0.456 438 E N 1.239 121.330 120.200 -0.181 0.000 2.209 438 E HA -0.138 4.223 4.350 0.018 0.000 0.196 438 E C 2.384 178.905 176.600 -0.131 0.000 0.993 438 E CA 1.105 57.405 56.400 -0.166 0.000 0.819 438 E CB -0.198 29.434 29.700 -0.112 0.000 0.745 438 E HN 0.698 nan 8.360 nan 0.000 0.477 439 R N 0.239 120.689 120.500 -0.083 0.000 2.119 439 R HA -0.013 4.338 4.340 0.018 0.000 0.222 439 R C 2.369 178.642 176.300 -0.044 0.000 1.088 439 R CA 0.676 56.759 56.100 -0.030 0.000 0.984 439 R CB -0.063 30.255 30.300 0.031 0.000 0.884 439 R HN -0.002 nan 8.270 nan 0.000 0.447 440 V N 0.977 120.831 119.914 -0.100 0.000 2.300 440 V HA -0.189 3.942 4.120 0.018 0.000 0.241 440 V C 2.583 178.553 176.094 -0.206 0.000 1.034 440 V CA 2.179 64.410 62.300 -0.115 0.000 1.021 440 V CB -0.655 31.105 31.823 -0.105 0.000 0.662 440 V HN 0.456 nan 8.190 nan 0.000 0.458 441 T N 0.196 114.514 114.554 -0.392 0.000 2.653 441 T HA -0.332 4.029 4.350 0.018 0.000 0.268 441 T C 1.909 176.475 174.700 -0.224 0.000 1.035 441 T CA 1.983 63.776 62.100 -0.512 0.000 1.154 441 T CB -0.550 67.831 68.868 -0.812 0.000 0.862 441 T HN 0.429 nan 8.240 nan 0.000 0.441 442 R N 0.581 120.966 120.500 -0.191 0.000 2.120 442 R HA 0.144 4.495 4.340 0.018 0.000 0.234 442 R C 2.711 178.941 176.300 -0.117 0.000 1.123 442 R CA 1.459 57.477 56.100 -0.137 0.000 0.975 442 R CB -0.541 29.686 30.300 -0.122 0.000 0.866 442 R HN 0.511 nan 8.270 nan 0.000 0.446 443 M N 0.782 120.323 119.600 -0.099 0.000 2.117 443 M HA -0.163 4.327 4.480 0.018 0.000 0.262 443 M C 1.821 178.058 176.300 -0.105 0.000 1.065 443 M CA 1.708 56.973 55.300 -0.057 0.000 1.114 443 M CB 0.063 32.664 32.600 0.001 0.000 1.361 443 M HN -0.006 nan 8.290 nan 0.000 0.408 444 V N 1.787 121.559 119.914 -0.236 0.000 2.307 444 V HA -0.283 3.848 4.120 0.018 0.000 0.245 444 V C 2.430 178.418 176.094 -0.178 0.000 1.045 444 V CA 2.238 64.309 62.300 -0.382 0.000 1.024 444 V CB -1.171 30.387 31.823 -0.442 0.000 0.651 444 V HN 0.673 nan 8.190 nan 0.000 0.449 445 Q N 0.183 119.910 119.800 -0.121 0.000 2.364 445 Q HA -0.210 4.141 4.340 0.018 0.000 0.209 445 Q C 2.179 178.075 176.000 -0.175 0.000 0.977 445 Q CA 1.456 57.183 55.803 -0.126 0.000 0.885 445 Q CB -0.247 28.448 28.738 -0.072 0.000 0.941 445 Q HN 0.579 nan 8.270 nan 0.000 0.464 446 R N 0.680 121.076 120.500 -0.173 0.000 2.062 446 R HA -0.038 4.313 4.340 0.018 0.000 0.218 446 R C 0.813 176.996 176.300 -0.196 0.000 1.161 446 R CA 1.177 57.145 56.100 -0.218 0.000 0.994 446 R CB 0.384 30.574 30.300 -0.184 0.000 0.888 446 R HN 0.143 nan 8.270 nan 0.000 0.442 447 D N 0.237 120.580 120.400 -0.095 0.000 2.355 447 D HA -0.060 4.591 4.640 0.018 0.000 0.218 447 D C 1.583 177.924 176.300 0.069 0.000 1.004 447 D CA 0.359 54.332 54.000 -0.045 0.000 0.880 447 D CB 0.002 40.805 40.800 0.005 0.000 0.911 447 D HN 0.260 nan 8.370 nan 0.000 0.528 448 R N 1.103 121.668 120.500 0.108 0.000 2.226 448 R HA -0.118 4.233 4.340 0.018 0.000 0.246 448 R C 0.617 176.912 176.300 -0.009 0.000 1.161 448 R CA 1.455 57.641 56.100 0.142 0.000 0.997 448 R CB -0.283 30.030 30.300 0.023 0.000 0.870 448 R HN 0.012 nan 8.270 nan 0.000 0.465 449 N N -0.174 118.439 118.700 -0.146 0.000 2.204 449 N HA 0.023 4.773 4.740 0.018 0.000 0.219 449 N C -0.748 174.649 175.510 -0.188 0.000 1.151 449 N CA -0.071 52.877 53.050 -0.170 0.000 0.867 449 N CB 0.287 38.655 38.487 -0.199 0.000 1.043 449 N HN 0.251 nan 8.380 nan 0.000 0.516 450 H N 1.017 120.014 119.070 -0.122 0.000 2.620 450 H HA 0.195 4.761 4.556 0.018 0.000 0.313 450 H C -1.280 173.899 175.328 -0.250 0.000 1.075 450 H CA -1.447 54.514 56.048 -0.146 0.000 1.397 450 H CB 1.771 31.478 29.762 -0.091 0.000 1.446 450 H HN -0.078 nan 8.280 nan 0.000 0.493 451 P HA -0.127 nan 4.420 nan 0.000 0.221 451 P C 1.485 178.344 177.300 -0.735 0.000 1.150 451 P CA 1.180 63.935 63.100 -0.575 0.000 0.800 451 P CB 0.312 31.445 31.700 -0.944 0.000 0.787 452 S N -1.264 114.102 115.700 -0.556 0.000 2.399 452 S HA -0.055 4.426 4.470 0.018 0.000 0.231 452 S C 1.081 175.639 174.600 -0.069 0.000 1.022 452 S CA 0.491 58.523 58.200 -0.279 0.000 0.983 452 S CB -1.468 61.650 63.200 -0.136 0.000 0.803 452 S HN -0.088 nan 8.310 nan 0.000 0.480 453 V N 3.933 123.783 119.914 -0.107 0.000 2.446 453 V HA 0.174 4.305 4.120 0.018 0.000 0.276 453 V C 1.168 177.128 176.094 -0.223 0.000 1.030 453 V CA 0.150 62.358 62.300 -0.153 0.000 1.033 453 V CB 0.323 31.977 31.823 -0.282 0.000 0.993 453 V HN 0.625 nan 8.190 nan 0.000 0.477 454 I N 2.802 123.289 120.570 -0.138 0.000 4.181 454 I HA 0.502 4.683 4.170 0.018 0.000 0.331 454 I C 0.354 176.340 176.117 -0.218 0.000 1.312 454 I CA 0.442 61.663 61.300 -0.132 0.000 1.146 454 I CB 0.477 38.482 38.000 0.008 0.000 1.074 454 I HN 0.330 nan 8.210 nan 0.000 0.402 455 I N 0.103 120.510 120.570 -0.271 0.000 2.841 455 I HA 0.348 4.529 4.170 0.018 0.000 0.298 455 I C -1.682 174.332 176.117 -0.172 0.000 1.304 455 I CA -0.454 60.728 61.300 -0.198 0.000 1.019 455 I CB 2.244 40.229 38.000 -0.025 0.000 1.282 455 I HN 0.006 nan 8.210 nan 0.000 0.432 456 W N 3.243 124.575 121.300 0.053 0.000 2.570 456 W HA 0.701 5.369 4.660 0.015 0.000 0.337 456 W C 0.259 176.827 176.519 0.082 0.000 1.067 456 W CA -0.805 56.578 57.345 0.063 0.000 1.229 456 W CB 1.617 31.108 29.460 0.052 0.000 1.355 456 W HN 0.304 nan 8.180 nan 0.000 0.555 457 S N 1.966 117.886 115.700 0.368 0.000 2.526 457 S HA 0.401 4.882 4.470 0.018 0.000 0.293 457 S C 0.268 175.032 174.600 0.273 0.000 1.092 457 S CA -0.685 57.680 58.200 0.275 0.000 0.980 457 S CB 1.011 64.326 63.200 0.192 0.000 1.048 457 S HN 0.632 nan 8.310 nan 0.000 0.483 458 L N 3.566 124.962 121.223 0.287 0.000 2.465 458 L HA 0.291 4.642 4.340 0.018 0.000 0.224 458 L C 1.431 178.415 176.870 0.190 0.000 1.145 458 L CA 0.861 55.815 54.840 0.190 0.000 0.834 458 L CB -0.810 41.265 42.059 0.026 0.000 0.944 458 L HN 1.008 nan 8.230 nan 0.000 0.451 459 G N -0.005 108.982 108.800 0.312 0.000 2.270 459 G HA2 -0.126 3.845 3.960 0.018 0.000 0.268 459 G HA3 -0.126 3.845 3.960 0.018 0.000 0.268 459 G C -1.572 173.523 174.900 0.325 0.000 1.312 459 G CA -0.340 44.926 45.100 0.278 0.000 1.050 459 G HN 0.231 nan 8.290 nan 0.000 0.474 460 N N -0.344 118.476 118.700 0.200 0.000 2.308 460 N HA 0.487 5.238 4.740 0.018 0.000 0.283 460 N C -0.409 175.052 175.510 -0.081 0.000 1.105 460 N CA 0.055 53.094 53.050 -0.019 0.000 0.840 460 N CB 1.636 39.919 38.487 -0.340 0.000 1.633 460 N HN 0.920 nan 8.380 nan 0.000 0.476 461 E N 0.895 120.967 120.200 -0.213 0.000 2.246 461 E HA -0.172 4.189 4.350 0.018 0.000 0.173 461 E C -0.996 175.526 176.600 -0.129 0.000 1.532 461 E CA 0.799 57.000 56.400 -0.330 0.000 0.672 461 E CB -1.294 27.945 29.700 -0.767 0.000 1.078 461 E HN 0.483 nan 8.360 nan 0.000 0.338 462 S N 0.155 115.925 115.700 0.117 0.000 2.941 462 S HA 0.417 4.897 4.470 0.018 0.000 0.248 462 S C 0.731 175.501 174.600 0.283 0.000 0.962 462 S CA -0.341 57.965 58.200 0.177 0.000 1.092 462 S CB 1.285 64.635 63.200 0.250 0.000 1.113 462 S HN 0.850 nan 8.310 nan 0.000 0.512 463 G N 2.127 111.031 108.800 0.174 0.000 2.602 463 G HA2 -0.296 3.675 3.960 0.018 0.000 0.306 463 G HA3 -0.296 3.675 3.960 0.018 0.000 0.306 463 G C -0.331 174.787 174.900 0.363 0.000 1.301 463 G CA 0.363 45.572 45.100 0.182 0.000 0.974 463 G HN 0.670 nan 8.290 nan 0.000 0.547 464 H N 0.999 120.203 119.070 0.223 0.000 3.036 464 H HA 0.543 5.110 4.556 0.018 0.000 0.295 464 H C 0.324 175.804 175.328 0.253 0.000 1.124 464 H CA 0.256 56.469 56.048 0.277 0.000 1.507 464 H CB 0.268 30.126 29.762 0.160 0.000 1.591 464 H HN 0.964 nan 8.280 nan 0.000 0.510 465 G N 1.239 109.933 108.800 -0.177 0.000 2.537 465 G HA2 0.458 4.428 3.960 0.018 0.000 0.323 465 G HA3 0.458 4.428 3.960 0.018 0.000 0.323 465 G C 0.746 175.420 174.900 -0.377 0.000 1.207 465 G CA -0.118 44.796 45.100 -0.310 0.000 0.976 465 G HN 0.606 nan 8.290 nan 0.000 0.487 466 A N 0.562 123.254 122.820 -0.214 0.000 1.986 466 A HA -0.143 4.188 4.320 0.018 0.000 0.220 466 A C 2.221 179.727 177.584 -0.130 0.000 1.171 466 A CA 1.917 53.877 52.037 -0.127 0.000 0.640 466 A CB -0.509 18.456 19.000 -0.058 0.000 0.811 466 A HN 0.594 nan 8.150 nan 0.000 0.451 467 N N -0.275 118.307 118.700 -0.196 0.000 2.094 467 N HA -0.211 4.539 4.740 0.018 0.000 0.191 467 N C 1.470 176.858 175.510 -0.204 0.000 1.023 467 N CA 1.984 54.908 53.050 -0.209 0.000 0.857 467 N CB -0.709 37.625 38.487 -0.255 0.000 1.013 467 N HN 0.811 nan 8.380 nan 0.000 0.426 468 H N 0.553 119.507 119.070 -0.194 0.000 2.321 468 H HA -0.031 4.535 4.556 0.017 0.000 0.300 468 H C 1.544 176.856 175.328 -0.027 0.000 1.087 468 H CA 1.183 57.119 56.048 -0.187 0.000 1.319 468 H CB 0.094 29.665 29.762 -0.319 0.000 1.379 468 H HN 0.214 nan 8.280 nan 0.000 0.501 469 D N 0.263 120.734 120.400 0.119 0.000 2.149 469 D HA -0.137 4.514 4.640 0.018 0.000 0.198 469 D C 2.211 178.610 176.300 0.165 0.000 0.990 469 D CA 1.175 55.248 54.000 0.122 0.000 0.839 469 D CB -0.094 40.758 40.800 0.086 0.000 0.948 469 D HN 0.447 nan 8.370 nan 0.000 0.460 470 A N 0.510 123.396 122.820 0.110 0.000 1.968 470 A HA -0.032 4.299 4.320 0.018 0.000 0.217 470 A C 2.329 180.029 177.584 0.193 0.000 1.169 470 A CA 0.485 52.601 52.037 0.133 0.000 0.638 470 A CB -0.456 18.584 19.000 0.067 0.000 0.812 470 A HN 0.170 nan 8.150 nan 0.000 0.446 471 L N -1.860 119.460 121.223 0.162 0.000 2.313 471 L HA -0.092 4.259 4.340 0.018 0.000 0.214 471 L C 2.444 179.481 176.870 0.279 0.000 1.119 471 L CA 1.175 56.126 54.840 0.185 0.000 0.809 471 L CB -0.513 41.587 42.059 0.068 0.000 0.933 471 L HN 0.663 nan 8.230 nan 0.000 0.449 472 Y N 0.361 120.736 120.300 0.125 0.000 2.153 472 Y HA -0.177 4.379 4.550 0.010 0.000 0.289 472 Y C 2.824 178.789 175.900 0.109 0.000 1.127 472 Y CA 1.112 59.285 58.100 0.121 0.000 1.131 472 Y CB -0.069 38.464 38.460 0.122 0.000 0.995 472 Y HN -0.113 nan 8.280 nan 0.000 0.505 473 R N 0.345 121.111 120.500 0.444 0.000 2.127 473 R HA -0.238 4.113 4.340 0.018 0.000 0.238 473 R C 1.944 178.283 176.300 0.064 0.000 1.134 473 R CA 1.801 58.027 56.100 0.209 0.000 0.975 473 R CB -1.480 28.960 30.300 0.234 0.000 0.865 473 R HN 0.696 nan 8.270 nan 0.000 0.447 474 W N 0.921 122.209 121.300 -0.020 0.000 2.354 474 W HA -0.165 4.507 4.660 0.020 0.000 0.315 474 W C 1.929 178.370 176.519 -0.131 0.000 1.206 474 W CA 1.757 59.061 57.345 -0.068 0.000 1.290 474 W CB -0.522 28.895 29.460 -0.071 0.000 1.152 474 W HN -0.010 nan 8.180 nan 0.000 0.489 475 I N 1.295 121.812 120.570 -0.089 0.000 2.163 475 I HA -0.401 3.780 4.170 0.018 0.000 0.243 475 I C 2.433 178.306 176.117 -0.407 0.000 1.085 475 I CA 1.823 62.917 61.300 -0.343 0.000 1.347 475 I CB -0.829 37.039 38.000 -0.220 0.000 1.044 475 I HN -0.003 nan 8.210 nan 0.000 0.408 476 K N 0.497 120.689 120.400 -0.347 0.000 2.152 476 K HA -0.127 4.204 4.320 0.018 0.000 0.206 476 K C 2.185 178.634 176.600 -0.251 0.000 1.048 476 K CA 1.455 57.566 56.287 -0.293 0.000 0.933 476 K CB -0.489 31.826 32.500 -0.308 0.000 0.721 476 K HN 0.252 nan 8.250 nan 0.000 0.447 477 S N 0.840 116.357 115.700 -0.305 0.000 2.395 477 S HA -0.036 4.445 4.470 0.018 0.000 0.225 477 S C 2.202 176.581 174.600 -0.368 0.000 1.027 477 S CA 0.577 58.605 58.200 -0.286 0.000 0.965 477 S CB -0.022 63.001 63.200 -0.296 0.000 0.812 477 S HN 0.042 nan 8.310 nan 0.000 0.482 478 V N 1.379 120.930 119.914 -0.604 0.000 2.283 478 V HA -0.051 4.080 4.120 0.018 0.000 0.243 478 V C 0.668 176.516 176.094 -0.410 0.000 1.039 478 V CA 1.510 63.417 62.300 -0.654 0.000 1.016 478 V CB -0.207 30.895 31.823 -1.203 0.000 0.650 478 V HN 0.466 nan 8.190 nan 0.000 0.449 479 D N -0.775 119.417 120.400 -0.346 0.000 2.375 479 D HA 0.256 4.907 4.640 0.018 0.000 0.259 479 D C -2.051 174.215 176.300 -0.057 0.000 1.235 479 D CA -1.900 52.013 54.000 -0.145 0.000 0.924 479 D CB 1.726 42.510 40.800 -0.028 0.000 1.143 479 D HN 0.111 nan 8.370 nan 0.000 0.529 480 P HA -0.037 nan 4.420 nan 0.000 0.233 480 P C 1.128 178.433 177.300 0.009 0.000 1.167 480 P CA 0.409 63.485 63.100 -0.040 0.000 0.770 480 P CB 0.144 31.814 31.700 -0.050 0.000 0.837 481 S N -0.799 114.918 115.700 0.030 0.000 2.555 481 S HA 0.022 4.503 4.470 0.018 0.000 0.230 481 S C 0.780 175.401 174.600 0.035 0.000 0.978 481 S CA -0.171 58.052 58.200 0.038 0.000 0.934 481 S CB -0.518 62.700 63.200 0.029 0.000 0.766 481 S HN 0.116 nan 8.310 nan 0.000 0.533 482 R N 0.895 121.431 120.500 0.060 0.000 2.621 482 R HA 0.547 4.898 4.340 0.018 0.000 0.284 482 R C -3.298 173.047 176.300 0.075 0.000 0.998 482 R CA -2.315 53.789 56.100 0.007 0.000 0.895 482 R CB 1.187 31.367 30.300 -0.199 0.000 1.195 482 R HN 0.102 nan 8.270 nan 0.000 0.450 483 P HA 0.057 nan 4.420 nan 0.000 0.269 483 P C -0.573 176.810 177.300 0.139 0.000 1.215 483 P CA -0.316 62.828 63.100 0.074 0.000 0.780 483 P CB 0.654 32.387 31.700 0.054 0.000 0.898 484 V N 2.854 122.854 119.914 0.144 0.000 2.547 484 V HA 0.464 4.595 4.120 0.018 0.000 0.299 484 V C 0.288 176.524 176.094 0.237 0.000 1.040 484 V CA -0.244 62.181 62.300 0.210 0.000 0.913 484 V CB 1.192 33.075 31.823 0.102 0.000 0.992 484 V HN 0.640 nan 8.190 nan 0.000 0.449 485 Q N 3.504 123.446 119.800 0.237 0.000 2.421 485 Q HA 0.779 5.130 4.340 0.018 0.000 0.280 485 Q C -1.889 174.261 176.000 0.250 0.000 1.085 485 Q CA -0.892 55.026 55.803 0.192 0.000 0.807 485 Q CB 2.778 31.575 28.738 0.099 0.000 1.405 485 Q HN 0.673 nan 8.270 nan 0.000 0.419 486 Y N 0.533 120.863 120.300 0.050 0.000 2.376 486 Y HA 0.180 4.739 4.550 0.016 0.000 0.321 486 Y C -0.592 175.272 175.900 -0.060 0.000 1.189 486 Y CA -0.610 57.482 58.100 -0.013 0.000 1.069 486 Y CB 2.133 40.567 38.460 -0.043 0.000 1.292 486 Y HN 0.959 nan 8.280 nan 0.000 0.430 487 E N 3.461 123.159 120.200 -0.836 0.000 2.276 487 E HA 0.149 4.510 4.350 0.018 0.000 0.193 487 E C 0.641 176.819 176.600 -0.705 0.000 0.983 487 E CA 0.713 56.746 56.400 -0.612 0.000 0.861 487 E CB 0.284 29.735 29.700 -0.415 0.000 0.817 487 E HN 0.882 nan 8.360 nan 0.000 0.485 488 G N -0.062 107.910 108.800 -1.380 0.000 2.391 488 G HA2 0.234 4.205 3.960 0.018 0.000 0.234 488 G HA3 0.234 4.205 3.960 0.018 0.000 0.234 488 G C 0.843 175.726 174.900 -0.028 0.000 1.284 488 G CA 0.397 45.203 45.100 -0.491 0.000 0.873 488 G HN 0.408 nan 8.290 nan 0.000 0.549 489 G N -0.213 108.611 108.800 0.041 0.000 2.175 489 G HA2 0.246 4.217 3.960 0.018 0.000 0.244 489 G HA3 0.246 4.217 3.960 0.018 0.000 0.244 489 G C 1.219 176.140 174.900 0.035 0.000 0.982 489 G CA 0.873 46.039 45.100 0.111 0.000 0.641 489 G HN 2.627 nan 8.290 nan 0.000 0.527 490 G N -1.043 107.768 108.800 0.018 0.000 2.227 490 G HA2 0.480 4.451 3.960 0.018 0.000 0.168 490 G HA3 0.480 4.451 3.960 0.018 0.000 0.168 490 G C 1.035 176.069 174.900 0.224 0.000 1.006 490 G CA 1.315 46.472 45.100 0.096 0.000 0.684 490 G HN 2.310 nan 8.290 nan 0.000 0.489 491 A N -0.238 122.619 122.820 0.062 0.000 3.661 491 A HA -0.174 4.157 4.320 0.018 0.000 0.269 491 A C 1.207 178.752 177.584 -0.065 0.000 1.056 491 A CA 2.675 54.683 52.037 -0.048 0.000 1.159 491 A CB -1.793 17.108 19.000 -0.164 0.000 1.105 491 A HN 1.994 nan 8.150 nan 0.000 0.907 492 D N -0.559 119.889 120.400 0.080 0.000 2.535 492 D HA 0.316 4.967 4.640 0.018 0.000 0.229 492 D C 0.673 176.978 176.300 0.008 0.000 1.238 492 D CA 0.898 54.943 54.000 0.075 0.000 0.824 492 D CB -1.046 39.923 40.800 0.282 0.000 1.045 492 D HN 0.868 nan 8.370 nan 0.000 0.500 493 T N -2.075 112.429 114.554 -0.085 0.000 2.640 493 T HA 0.069 4.430 4.350 0.018 0.000 0.316 493 T C 1.667 176.255 174.700 -0.186 0.000 1.036 493 T CA 0.632 62.594 62.100 -0.229 0.000 1.009 493 T CB 0.775 69.294 68.868 -0.581 0.000 1.017 493 T HN 0.138 nan 8.240 nan 0.000 0.530 494 T N -2.581 111.834 114.554 -0.230 0.000 3.113 494 T HA 0.180 4.541 4.350 0.018 0.000 0.263 494 T C 1.746 176.206 174.700 -0.401 0.000 1.143 494 T CA 0.422 62.393 62.100 -0.214 0.000 1.090 494 T CB -0.580 68.203 68.868 -0.141 0.000 0.922 494 T HN 0.845 nan 8.240 nan 0.000 0.521 495 A N 0.575 123.235 122.820 -0.266 0.000 2.337 495 A HA 0.433 4.764 4.320 0.018 0.000 0.227 495 A C 1.055 178.613 177.584 -0.044 0.000 1.259 495 A CA 0.127 52.005 52.037 -0.265 0.000 0.870 495 A CB -0.201 18.896 19.000 0.161 0.000 0.927 495 A HN 0.496 nan 8.150 nan 0.000 0.497 496 T N -1.575 112.963 114.554 -0.028 0.000 2.921 496 T HA 0.368 4.729 4.350 0.018 0.000 0.297 496 T C -0.437 174.352 174.700 0.150 0.000 1.013 496 T CA -0.493 61.696 62.100 0.148 0.000 0.990 496 T CB 1.142 70.052 68.868 0.069 0.000 1.023 496 T HN 0.076 nan 8.240 nan 0.000 0.447 497 D N 3.144 123.688 120.400 0.240 0.000 2.312 497 D HA 0.207 4.857 4.640 0.018 0.000 0.211 497 D C 0.336 176.677 176.300 0.068 0.000 0.964 497 D CA 0.983 55.084 54.000 0.169 0.000 0.877 497 D CB 0.236 41.133 40.800 0.162 0.000 0.924 497 D HN 0.559 nan 8.370 nan 0.000 0.515 498 I N 0.373 120.962 120.570 0.031 0.000 2.619 498 I HA 0.217 4.398 4.170 0.018 0.000 0.292 498 I C -0.432 175.620 176.117 -0.107 0.000 1.100 498 I CA -0.854 60.425 61.300 -0.036 0.000 1.043 498 I CB 2.892 40.874 38.000 -0.029 0.000 1.239 498 I HN -0.321 nan 8.210 nan 0.000 0.420 499 I N 5.583 126.041 120.570 -0.187 0.000 2.494 499 I HA 0.047 4.228 4.170 0.018 0.000 0.289 499 I C 0.062 175.969 176.117 -0.350 0.000 1.106 499 I CA 0.011 61.106 61.300 -0.343 0.000 1.369 499 I CB -0.078 37.598 38.000 -0.539 0.000 1.410 499 I HN 0.612 nan 8.210 nan 0.000 0.523 500 C N 5.834 124.954 119.300 -0.299 0.000 3.075 500 C HA 0.491 4.961 4.460 0.018 0.000 0.262 500 C C -1.995 172.852 174.990 -0.238 0.000 1.371 500 C CA -2.318 56.564 59.018 -0.228 0.000 1.594 500 C CB -1.179 26.480 27.740 -0.136 0.000 1.849 500 C HN 0.436 nan 8.230 nan 0.000 0.475 501 P HA 0.411 nan 4.420 nan 0.000 0.277 501 P C -0.547 176.689 177.300 -0.107 0.000 1.276 501 P CA 0.037 63.036 63.100 -0.167 0.000 0.788 501 P CB 0.650 32.293 31.700 -0.095 0.000 1.114 502 M N -1.191 118.373 119.600 -0.060 0.000 2.197 502 M HA 0.508 4.998 4.480 0.018 0.000 0.301 502 M C -1.099 175.154 176.300 -0.078 0.000 0.987 502 M CA -0.647 54.514 55.300 -0.231 0.000 0.921 502 M CB 1.627 34.058 32.600 -0.281 0.000 1.569 502 M HN 0.322 nan 8.290 nan 0.000 0.431 503 Y N -0.390 120.037 120.300 0.211 0.000 4.569 503 Y HA -0.170 4.391 4.550 0.019 0.000 0.237 503 Y C 0.353 176.402 175.900 0.248 0.000 1.090 503 Y CA 0.423 58.650 58.100 0.211 0.000 2.052 503 Y CB -2.298 36.242 38.460 0.133 0.000 1.621 503 Y HN 1.012 nan 8.280 nan 0.000 0.682 504 A N 1.039 124.040 122.820 0.301 0.000 2.401 504 A HA 0.646 4.977 4.320 0.018 0.000 0.259 504 A C 0.721 178.515 177.584 0.350 0.000 1.103 504 A CA -0.520 51.721 52.037 0.341 0.000 0.789 504 A CB 0.427 19.689 19.000 0.436 0.000 1.035 504 A HN 0.405 nan 8.150 nan 0.000 0.491 505 R N 1.315 121.964 120.500 0.248 0.000 2.649 505 R HA 0.307 4.658 4.340 0.018 0.000 0.270 505 R C 1.090 177.428 176.300 0.063 0.000 1.105 505 R CA -0.629 55.566 56.100 0.158 0.000 1.193 505 R CB 0.422 30.765 30.300 0.072 0.000 1.120 505 R HN 0.474 nan 8.270 nan 0.000 0.561 506 V N 0.459 120.272 119.914 -0.168 0.000 2.283 506 V HA -0.201 3.930 4.120 0.018 0.000 0.243 506 V C 1.079 177.099 176.094 -0.123 0.000 1.039 506 V CA 1.931 64.091 62.300 -0.233 0.000 1.016 506 V CB -0.264 31.275 31.823 -0.474 0.000 0.650 506 V HN 0.750 nan 8.190 nan 0.000 0.449 507 D N -1.235 119.105 120.400 -0.101 0.000 2.455 507 D HA 0.078 4.729 4.640 0.018 0.000 0.228 507 D C 0.868 177.158 176.300 -0.017 0.000 1.070 507 D CA 0.074 54.039 54.000 -0.057 0.000 0.881 507 D CB 0.704 41.463 40.800 -0.068 0.000 1.087 507 D HN 0.632 nan 8.370 nan 0.000 0.498 508 E N 1.878 122.072 120.200 -0.010 0.000 2.197 508 E HA 0.166 4.527 4.350 0.018 0.000 0.281 508 E C -0.816 175.790 176.600 0.010 0.000 0.995 508 E CA -0.651 55.749 56.400 -0.000 0.000 0.808 508 E CB 1.297 30.992 29.700 -0.008 0.000 1.093 508 E HN -0.158 nan 8.360 nan 0.000 0.394 509 D N 3.991 124.393 120.400 0.004 0.000 2.264 509 D HA 0.089 4.739 4.640 0.018 0.000 0.249 509 D C -0.458 175.715 176.300 -0.211 0.000 1.070 509 D CA -0.211 53.776 54.000 -0.021 0.000 0.912 509 D CB 1.280 42.173 40.800 0.156 0.000 1.193 509 D HN 0.494 nan 8.370 nan 0.000 0.427 510 Q N 1.182 120.723 119.800 -0.430 0.000 2.523 510 Q HA 0.263 4.614 4.340 0.018 0.000 0.251 510 Q C -2.338 172.959 176.000 -1.173 0.000 1.033 510 Q CA -1.662 53.639 55.803 -0.837 0.000 0.746 510 Q CB 2.199 30.405 28.738 -0.886 0.000 1.189 510 Q HN 0.149 nan 8.270 nan 0.000 0.508 511 P HA 0.069 nan 4.420 nan 0.000 0.238 511 P C -0.927 176.076 177.300 -0.495 0.000 1.794 511 P CA -0.084 62.627 63.100 -0.650 0.000 1.088 511 P CB -0.417 31.090 31.700 -0.323 0.000 1.923 512 F N 3.960 123.752 119.950 -0.264 0.000 2.467 512 F HA 0.246 4.783 4.527 0.017 0.000 0.362 512 F C -1.218 174.479 175.800 -0.172 0.000 1.090 512 F CA -2.675 55.219 58.000 -0.177 0.000 1.202 512 F CB 0.200 39.105 39.000 -0.158 0.000 1.113 512 F HN 0.096 nan 8.300 nan 0.000 0.541 513 P HA -0.015 nan 4.420 nan 0.000 0.264 513 P C 0.439 177.750 177.300 0.019 0.000 1.183 513 P CA 1.042 64.152 63.100 0.016 0.000 0.763 513 P CB 1.102 32.813 31.700 0.020 0.000 0.807 514 A N 3.066 125.885 122.820 -0.001 0.000 2.079 514 A HA -0.250 4.080 4.320 0.018 0.000 0.230 514 A C 0.668 178.248 177.584 -0.007 0.000 0.537 514 A CA 1.841 53.880 52.037 0.002 0.000 1.134 514 A CB -2.628 16.376 19.000 0.006 0.000 1.423 514 A HN 0.715 nan 8.150 nan 0.000 0.706 515 V N -2.928 116.985 119.914 -0.001 0.000 2.464 515 V HA 0.597 4.728 4.120 0.018 0.000 0.255 515 V C -2.467 173.618 176.094 -0.013 0.000 0.946 515 V CA -1.310 60.983 62.300 -0.011 0.000 0.988 515 V CB 0.760 32.584 31.823 0.001 0.000 1.210 515 V HN 0.509 nan 8.190 nan 0.000 0.523 516 P HA 0.298 nan 4.420 nan 0.000 0.272 516 P C -0.617 176.205 177.300 -0.796 0.000 1.230 516 P CA 0.043 62.748 63.100 -0.659 0.000 0.788 516 P CB 1.005 31.900 31.700 -1.342 0.000 0.949 517 K N 2.023 121.975 120.400 -0.747 0.000 2.484 517 K HA 0.208 4.539 4.320 0.018 0.000 0.226 517 K C -0.502 175.766 176.600 -0.553 0.000 1.031 517 K CA -0.265 55.749 56.287 -0.454 0.000 1.026 517 K CB 0.320 32.885 32.500 0.108 0.000 1.412 517 K HN 0.484 nan 8.250 nan 0.000 0.492 518 W N 1.379 122.347 121.300 -0.553 0.000 2.137 518 W HA 0.029 4.699 4.660 0.017 0.000 0.344 518 W C 1.305 177.844 176.519 0.033 0.000 1.286 518 W CA -0.585 56.548 57.345 -0.352 0.000 1.240 518 W CB 0.491 29.601 29.460 -0.582 0.000 1.141 518 W HN 0.358 nan 8.180 nan 0.000 0.579 519 S N 3.720 119.611 115.700 0.319 0.000 2.546 519 S HA -0.064 4.417 4.470 0.018 0.000 0.290 519 S C 1.333 176.111 174.600 0.296 0.000 1.290 519 S CA -0.213 58.114 58.200 0.212 0.000 1.069 519 S CB 0.079 63.337 63.200 0.096 0.000 0.846 519 S HN 0.505 nan 8.310 nan 0.000 0.495 520 I N 2.777 123.496 120.570 0.249 0.000 2.143 520 I HA -0.262 3.919 4.170 0.018 0.000 0.245 520 I C 2.170 178.343 176.117 0.094 0.000 1.068 520 I CA 1.655 63.081 61.300 0.209 0.000 1.326 520 I CB -0.607 37.454 38.000 0.102 0.000 1.028 520 I HN 0.622 nan 8.210 nan 0.000 0.412 521 K N 1.075 121.436 120.400 -0.065 0.000 2.147 521 K HA -0.191 4.140 4.320 0.018 0.000 0.205 521 K C 2.282 178.880 176.600 -0.004 0.000 1.049 521 K CA 1.887 58.057 56.287 -0.195 0.000 0.936 521 K CB -0.158 32.169 32.500 -0.289 0.000 0.722 521 K HN 0.477 nan 8.250 nan 0.000 0.446 522 K N -0.041 120.386 120.400 0.044 0.000 2.137 522 K HA -0.122 4.209 4.320 0.018 0.000 0.202 522 K C 1.879 178.497 176.600 0.031 0.000 1.052 522 K CA 0.380 56.667 56.287 0.001 0.000 0.961 522 K CB -0.061 32.405 32.500 -0.057 0.000 0.741 522 K HN 0.128 nan 8.250 nan 0.000 0.452 523 W N 1.986 123.262 121.300 -0.040 0.000 2.325 523 W HA -0.187 4.482 4.660 0.015 0.000 0.299 523 W C 1.429 177.926 176.519 -0.036 0.000 1.215 523 W CA 1.262 58.601 57.345 -0.011 0.000 1.244 523 W CB -0.416 29.147 29.460 0.172 0.000 1.140 523 W HN 0.119 nan 8.180 nan 0.000 0.523 524 L N 0.523 121.879 121.223 0.221 0.000 2.201 524 L HA -0.187 4.164 4.340 0.018 0.000 0.212 524 L C 2.157 179.080 176.870 0.088 0.000 1.105 524 L CA 1.673 56.589 54.840 0.127 0.000 0.775 524 L CB -0.700 41.420 42.059 0.101 0.000 0.913 524 L HN -0.136 nan 8.230 nan 0.000 0.440 525 S N -1.138 114.596 115.700 0.057 0.000 2.597 525 S HA 0.208 4.689 4.470 0.018 0.000 0.224 525 S C 0.435 175.017 174.600 -0.031 0.000 0.955 525 S CA -0.521 57.689 58.200 0.016 0.000 0.933 525 S CB -0.159 63.051 63.200 0.017 0.000 0.788 525 S HN -0.008 nan 8.310 nan 0.000 0.488 526 L N 3.134 124.328 121.223 -0.047 0.000 2.499 526 L HA 0.272 4.623 4.340 0.018 0.000 0.281 526 L C -2.359 174.480 176.870 -0.052 0.000 1.234 526 L CA -1.548 53.224 54.840 -0.114 0.000 0.839 526 L CB -0.483 41.493 42.059 -0.139 0.000 1.104 526 L HN 0.022 nan 8.230 nan 0.000 0.500 527 P HA 0.239 nan 4.420 nan 0.000 0.270 527 P C 0.621 177.913 177.300 -0.013 0.000 1.242 527 P CA 0.704 63.781 63.100 -0.038 0.000 0.768 527 P CB 0.710 32.382 31.700 -0.046 0.000 0.820 528 G N 2.097 110.896 108.800 -0.001 0.000 2.234 528 G HA2 -0.203 3.767 3.960 0.018 0.000 0.235 528 G HA3 -0.203 3.767 3.960 0.018 0.000 0.235 528 G C 0.302 175.216 174.900 0.024 0.000 0.997 528 G CA -0.362 44.744 45.100 0.011 0.000 0.623 528 G HN 0.502 nan 8.290 nan 0.000 0.514 529 E N 1.030 121.251 120.200 0.034 0.000 2.373 529 E HA 0.541 4.901 4.350 0.018 0.000 0.267 529 E C 1.386 178.007 176.600 0.035 0.000 1.032 529 E CA 0.846 57.277 56.400 0.051 0.000 0.889 529 E CB 1.067 30.819 29.700 0.087 0.000 0.984 529 E HN 0.681 nan 8.360 nan 0.000 0.425 530 T N -0.272 114.299 114.554 0.029 0.000 3.252 530 T HA 0.254 4.615 4.350 0.018 0.000 0.295 530 T C 0.676 175.382 174.700 0.009 0.000 0.897 530 T CA -0.460 61.651 62.100 0.019 0.000 0.905 530 T CB 0.281 69.159 68.868 0.017 0.000 1.202 530 T HN 0.169 nan 8.240 nan 0.000 0.592 531 R N 2.568 123.070 120.500 0.004 0.000 2.641 531 R HA 0.444 4.795 4.340 0.018 0.000 0.269 531 R C -2.548 173.728 176.300 -0.040 0.000 1.074 531 R CA -1.593 54.498 56.100 -0.014 0.000 1.133 531 R CB 0.229 30.516 30.300 -0.022 0.000 1.029 531 R HN 0.205 nan 8.270 nan 0.000 0.488 532 P HA 0.016 nan 4.420 nan 0.000 0.272 532 P C -1.253 175.970 177.300 -0.128 0.000 1.223 532 P CA -0.245 62.808 63.100 -0.079 0.000 0.784 532 P CB 0.536 32.191 31.700 -0.074 0.000 0.923 533 L N 2.946 124.071 121.223 -0.164 0.000 2.298 533 L HA 0.580 4.931 4.340 0.018 0.000 0.284 533 L C -1.171 175.538 176.870 -0.268 0.000 1.013 533 L CA -0.182 54.520 54.840 -0.230 0.000 0.824 533 L CB 0.232 42.115 42.059 -0.294 0.000 1.221 533 L HN 0.213 nan 8.230 nan 0.000 0.418 534 I N 5.951 126.378 120.570 -0.238 0.000 2.468 534 I HA 0.290 4.470 4.170 0.018 0.000 0.284 534 I C -0.635 175.394 176.117 -0.145 0.000 1.038 534 I CA -0.659 60.499 61.300 -0.237 0.000 1.083 534 I CB 1.847 39.781 38.000 -0.110 0.000 1.223 534 I HN 0.565 nan 8.210 nan 0.000 0.443 535 L N 5.461 126.570 121.223 -0.189 0.000 2.455 535 L HA 0.034 4.385 4.340 0.018 0.000 0.272 535 L C 1.520 178.480 176.870 0.150 0.000 1.174 535 L CA -0.207 54.586 54.840 -0.080 0.000 0.869 535 L CB 0.757 42.730 42.059 -0.143 0.000 1.130 535 L HN 0.857 nan 8.230 nan 0.000 0.474 536 C N 0.312 119.658 119.300 0.076 0.000 2.467 536 C HA 0.150 4.621 4.460 0.018 0.000 0.279 536 C C 0.778 175.901 174.990 0.223 0.000 1.347 536 C CA -0.045 59.044 59.018 0.118 0.000 1.748 536 C CB -0.797 26.917 27.740 -0.045 0.000 1.977 536 C HN 0.834 nan 8.230 nan 0.000 0.501 537 E N -1.077 119.162 120.200 0.066 0.000 2.367 537 E HA 0.697 5.058 4.350 0.018 0.000 0.273 537 E C -1.414 175.129 176.600 -0.095 0.000 0.903 537 E CA -0.503 55.935 56.400 0.063 0.000 0.764 537 E CB 2.316 31.891 29.700 -0.208 0.000 1.252 537 E HN 0.633 nan 8.360 nan 0.000 0.446 538 Y N -1.615 118.636 120.300 -0.082 0.000 2.687 538 Y HA 0.532 5.094 4.550 0.019 0.000 0.338 538 Y C -1.063 174.983 175.900 0.243 0.000 1.189 538 Y CA -0.747 57.291 58.100 -0.103 0.000 1.097 538 Y CB 0.616 38.889 38.460 -0.313 0.000 1.342 538 Y HN 0.719 nan 8.280 nan 0.000 0.461 539 A N 2.054 125.014 122.820 0.232 0.000 2.429 539 A HA -0.263 4.068 4.320 0.018 0.000 0.290 539 A C -0.321 177.464 177.584 0.335 0.000 1.439 539 A CA 1.000 53.180 52.037 0.239 0.000 0.731 539 A CB -2.516 16.497 19.000 0.022 0.000 1.138 539 A HN 1.247 nan 8.150 nan 0.000 0.384 540 H N 0.373 119.634 119.070 0.319 0.000 3.217 540 H HA 0.213 4.780 4.556 0.018 0.000 0.272 540 H C 1.115 176.524 175.328 0.134 0.000 0.929 540 H CA 0.588 56.808 56.048 0.286 0.000 1.425 540 H CB 0.418 30.194 29.762 0.023 0.000 1.505 540 H HN 0.891 nan 8.280 nan 0.000 0.542 541 A N 6.996 129.754 122.820 -0.102 0.000 3.258 541 A HA 0.098 4.429 4.320 0.018 0.000 0.275 541 A C 0.673 178.019 177.584 -0.397 0.000 1.452 541 A CA -0.536 51.362 52.037 -0.232 0.000 1.120 541 A CB -0.565 18.313 19.000 -0.202 0.000 1.107 541 A HN 0.809 nan 8.150 nan 0.000 0.651 542 M N 1.339 120.651 119.600 -0.479 0.000 2.135 542 M HA 0.487 4.978 4.480 0.018 0.000 0.345 542 M C 0.816 176.888 176.300 -0.381 0.000 1.340 542 M CA 0.963 55.995 55.300 -0.448 0.000 1.162 542 M CB -0.223 32.093 32.600 -0.473 0.000 1.570 542 M HN 0.847 nan 8.290 nan 0.000 0.454 543 G N 4.616 113.191 108.800 -0.375 0.000 2.629 543 G HA2 -0.381 3.590 3.960 0.018 0.000 0.313 543 G HA3 -0.381 3.590 3.960 0.018 0.000 0.313 543 G C -0.022 174.392 174.900 -0.811 0.000 1.217 543 G CA 0.451 45.256 45.100 -0.492 0.000 0.994 543 G HN 0.862 nan 8.290 nan 0.000 0.549 544 N N 1.720 119.781 118.700 -1.064 0.000 2.549 544 N HA 0.504 5.254 4.740 0.018 0.000 0.267 544 N C -0.166 175.084 175.510 -0.434 0.000 1.182 544 N CA 1.083 53.656 53.050 -0.795 0.000 1.019 544 N CB 0.295 38.360 38.487 -0.704 0.000 1.380 544 N HN 0.699 nan 8.380 nan 0.000 0.505 545 S N 1.615 117.130 115.700 -0.308 0.000 2.819 545 S HA 0.641 5.122 4.470 0.018 0.000 0.299 545 S C -0.226 174.303 174.600 -0.120 0.000 1.192 545 S CA -0.398 57.682 58.200 -0.200 0.000 0.847 545 S CB 0.362 63.449 63.200 -0.189 0.000 1.224 545 S HN 0.369 nan 8.310 nan 0.000 0.537 546 L N 0.187 121.383 121.223 -0.046 0.000 4.479 546 L HA -0.036 4.315 4.340 0.018 0.000 0.394 546 L C 0.466 177.395 176.870 0.098 0.000 0.976 546 L CA 0.798 55.657 54.840 0.032 0.000 1.413 546 L CB -1.663 40.354 42.059 -0.069 0.000 1.975 546 L HN 0.746 nan 8.230 nan 0.000 0.570 547 G N -0.742 108.081 108.800 0.038 0.000 2.340 547 G HA2 0.459 4.430 3.960 0.018 0.000 0.245 547 G HA3 0.459 4.430 3.960 0.018 0.000 0.245 547 G C 1.264 176.238 174.900 0.123 0.000 1.294 547 G CA 0.301 45.409 45.100 0.013 0.000 0.896 547 G HN 1.361 nan 8.290 nan 0.000 0.522 548 G N 2.107 110.993 108.800 0.142 0.000 2.232 548 G HA2 -0.310 3.661 3.960 0.018 0.000 0.226 548 G HA3 -0.310 3.661 3.960 0.018 0.000 0.226 548 G C 1.210 176.287 174.900 0.295 0.000 0.996 548 G CA 0.753 45.973 45.100 0.200 0.000 0.626 548 G HN 0.858 nan 8.290 nan 0.000 0.509 549 F N 2.203 122.304 119.950 0.252 0.000 2.101 549 F HA -0.146 4.393 4.527 0.019 0.000 0.298 549 F C 2.827 178.879 175.800 0.421 0.000 1.076 549 F CA 3.175 61.411 58.000 0.394 0.000 1.248 549 F CB -0.634 38.528 39.000 0.270 0.000 0.999 549 F HN 0.528 nan 8.300 nan 0.000 0.488 550 A N 0.022 123.034 122.820 0.321 0.000 1.859 550 A HA -0.317 4.014 4.320 0.018 0.000 0.218 550 A C 2.265 179.868 177.584 0.031 0.000 1.209 550 A CA 2.393 54.538 52.037 0.180 0.000 0.639 550 A CB -0.980 18.114 19.000 0.157 0.000 0.835 550 A HN 0.472 nan 8.150 nan 0.000 0.450 551 K N -1.539 118.844 120.400 -0.028 0.000 2.097 551 K HA -0.290 4.040 4.320 0.018 0.000 0.214 551 K C 1.889 178.234 176.600 -0.424 0.000 1.052 551 K CA 2.386 58.551 56.287 -0.203 0.000 0.932 551 K CB -0.620 31.718 32.500 -0.269 0.000 0.716 551 K HN 0.697 nan 8.250 nan 0.000 0.455 552 Y N -0.732 119.285 120.300 -0.471 0.000 2.128 552 Y HA -0.257 4.303 4.550 0.017 0.000 0.284 552 Y C 2.292 177.223 175.900 -1.613 0.000 1.154 552 Y CA 1.277 58.711 58.100 -1.112 0.000 1.149 552 Y CB -0.375 37.370 38.460 -1.193 0.000 0.976 552 Y HN 0.193 nan 8.280 nan 0.000 0.505 553 W N 0.403 121.288 121.300 -0.692 0.000 2.465 553 W HA -0.162 4.510 4.660 0.020 0.000 0.268 553 W C 2.567 178.914 176.519 -0.285 0.000 1.242 553 W CA 1.607 58.643 57.345 -0.515 0.000 1.248 553 W CB -0.372 28.873 29.460 -0.359 0.000 1.118 553 W HN 0.236 nan 8.180 nan 0.000 0.587 554 Q N 0.001 119.708 119.800 -0.156 0.000 2.163 554 Q HA -0.000 4.351 4.340 0.018 0.000 0.198 554 Q C 2.191 178.157 176.000 -0.056 0.000 0.954 554 Q CA 1.534 57.303 55.803 -0.056 0.000 0.851 554 Q CB -0.486 28.233 28.738 -0.032 0.000 0.928 554 Q HN 0.070 nan 8.270 nan 0.000 0.459 555 A N 0.950 123.659 122.820 -0.185 0.000 1.855 555 A HA -0.069 4.262 4.320 0.018 0.000 0.215 555 A C 1.935 179.554 177.584 0.058 0.000 1.191 555 A CA 1.174 53.146 52.037 -0.109 0.000 0.613 555 A CB -1.173 17.639 19.000 -0.314 0.000 0.829 555 A HN 0.554 nan 8.150 nan 0.000 0.442 556 F N -0.067 119.711 119.950 -0.287 0.000 2.120 556 F HA -0.282 4.257 4.527 0.019 0.000 0.300 556 F C 2.775 178.492 175.800 -0.138 0.000 1.095 556 F CA 1.310 59.113 58.000 -0.328 0.000 1.249 556 F CB -0.219 38.377 39.000 -0.673 0.000 0.995 556 F HN 0.205 nan 8.300 nan 0.000 0.480 557 R N -0.020 120.558 120.500 0.129 0.000 2.115 557 R HA -0.162 4.189 4.340 0.018 0.000 0.226 557 R C 2.055 178.409 176.300 0.090 0.000 1.100 557 R CA 1.144 57.305 56.100 0.102 0.000 0.980 557 R CB -0.470 29.882 30.300 0.086 0.000 0.875 557 R HN 0.411 nan 8.270 nan 0.000 0.445 558 Q N -0.029 119.857 119.800 0.144 0.000 2.212 558 Q HA -0.041 4.310 4.340 0.018 0.000 0.199 558 Q C -0.425 175.625 176.000 0.082 0.000 0.950 558 Q CA 0.819 56.698 55.803 0.127 0.000 0.863 558 Q CB 0.408 29.260 28.738 0.190 0.000 0.944 558 Q HN 0.198 nan 8.270 nan 0.000 0.465 559 Y N 0.678 120.969 120.300 -0.014 0.000 2.385 559 Y HA 0.246 4.806 4.550 0.016 0.000 0.341 559 Y C -1.694 174.181 175.900 -0.041 0.000 0.965 559 Y CA -3.022 55.065 58.100 -0.022 0.000 1.180 559 Y CB 1.075 39.527 38.460 -0.014 0.000 1.139 559 Y HN 0.140 nan 8.280 nan 0.000 0.502 560 P HA -0.208 nan 4.420 nan 0.000 0.216 560 P C 1.237 178.534 177.300 -0.006 0.000 1.153 560 P CA 1.606 64.708 63.100 0.003 0.000 0.858 560 P CB 0.402 32.088 31.700 -0.023 0.000 0.789 561 R N -0.938 119.576 120.500 0.024 0.000 2.313 561 R HA 0.140 4.490 4.340 0.018 0.000 0.199 561 R C 0.582 176.846 176.300 -0.059 0.000 0.958 561 R CA 0.152 56.245 56.100 -0.010 0.000 1.047 561 R CB -0.298 30.010 30.300 0.014 0.000 0.955 561 R HN 0.286 nan 8.270 nan 0.000 0.481 562 L N 2.292 123.481 121.223 -0.057 0.000 2.407 562 L HA 0.208 4.559 4.340 0.018 0.000 0.261 562 L C 0.412 177.070 176.870 -0.353 0.000 1.108 562 L CA -0.068 54.665 54.840 -0.179 0.000 0.995 562 L CB 1.167 43.198 42.059 -0.047 0.000 1.349 562 L HN -0.064 nan 8.230 nan 0.000 0.423 563 Q N 2.249 121.804 119.800 -0.407 0.000 2.296 563 Q HA 0.372 4.723 4.340 0.018 0.000 0.273 563 Q C 0.866 176.469 176.000 -0.663 0.000 0.900 563 Q CA 0.106 55.655 55.803 -0.424 0.000 0.993 563 Q CB 0.771 29.356 28.738 -0.254 0.000 1.132 563 Q HN 0.844 nan 8.270 nan 0.000 0.439 564 G N -0.208 107.775 108.800 -1.362 0.000 2.418 564 G HA2 0.121 4.091 3.960 0.018 0.000 0.206 564 G HA3 0.121 4.091 3.960 0.018 0.000 0.206 564 G C -0.259 173.841 174.900 -1.332 0.000 1.202 564 G CA -0.640 43.425 45.100 -1.726 0.000 1.061 564 G HN 0.753 nan 8.290 nan 0.000 0.563 565 G N -2.352 106.014 108.800 -0.723 0.000 2.315 565 G HA2 0.618 4.589 3.960 0.018 0.000 0.294 565 G HA3 0.618 4.589 3.960 0.018 0.000 0.294 565 G C -1.826 173.056 174.900 -0.029 0.000 1.300 565 G CA -0.147 44.755 45.100 -0.330 0.000 0.843 565 G HN 1.236 nan 8.290 nan 0.000 0.527 566 F N 0.607 120.866 119.950 0.516 0.000 2.427 566 F HA 0.563 5.100 4.527 0.017 0.000 0.348 566 F C 0.765 176.804 175.800 0.398 0.000 1.125 566 F CA -0.788 57.486 58.000 0.457 0.000 0.989 566 F CB 1.967 41.125 39.000 0.264 0.000 1.165 566 F HN 0.273 nan 8.300 nan 0.000 0.442 567 V N 3.154 123.270 119.914 0.335 0.000 2.963 567 V HA -0.045 4.086 4.120 0.018 0.000 0.306 567 V C -0.391 175.846 176.094 0.239 0.000 1.077 567 V CA -0.311 61.985 62.300 -0.006 0.000 1.124 567 V CB 1.040 32.905 31.823 0.069 0.000 0.987 567 V HN 0.784 nan 8.190 nan 0.000 0.487 568 W N 5.679 127.050 121.300 0.118 0.000 2.475 568 W HA 0.471 5.142 4.660 0.017 0.000 0.320 568 W C -1.104 175.513 176.519 0.164 0.000 1.022 568 W CA -0.770 56.717 57.345 0.237 0.000 1.240 568 W CB 1.660 31.398 29.460 0.463 0.000 1.328 568 W HN 0.901 nan 8.180 nan 0.000 0.439 569 D N 2.759 122.913 120.400 -0.410 0.000 2.904 569 D HA 0.167 4.817 4.640 0.018 0.000 0.290 569 D C 0.772 176.931 176.300 -0.235 0.000 1.180 569 D CA -0.456 53.177 54.000 -0.612 0.000 1.065 569 D CB 0.257 40.233 40.800 -1.373 0.000 1.386 569 D HN 0.426 nan 8.370 nan 0.000 0.599 570 W N 0.626 121.661 121.300 -0.443 0.000 2.463 570 W HA 0.118 4.789 4.660 0.019 0.000 0.316 570 W C 0.290 176.649 176.519 -0.267 0.000 1.170 570 W CA 1.486 58.634 57.345 -0.329 0.000 1.355 570 W CB 0.208 29.490 29.460 -0.296 0.000 1.159 570 W HN 0.246 nan 8.180 nan 0.000 0.487 571 V N -0.063 119.650 119.914 -0.335 0.000 3.096 571 V HA 0.415 4.546 4.120 0.018 0.000 0.319 571 V C -1.029 174.905 176.094 -0.266 0.000 1.103 571 V CA -0.900 61.183 62.300 -0.361 0.000 1.016 571 V CB 1.245 33.000 31.823 -0.115 0.000 1.090 571 V HN -0.141 nan 8.190 nan 0.000 0.449 572 D N 1.168 121.457 120.400 -0.184 0.000 2.264 572 D HA 0.310 4.961 4.640 0.018 0.000 0.250 572 D C 0.208 176.392 176.300 -0.194 0.000 1.113 572 D CA 0.187 54.104 54.000 -0.138 0.000 0.871 572 D CB 1.476 42.303 40.800 0.043 0.000 1.167 572 D HN 0.651 nan 8.370 nan 0.000 0.447 573 Q N 0.961 120.564 119.800 -0.329 0.000 2.414 573 Q HA 0.084 4.435 4.340 0.018 0.000 0.286 573 Q C -0.077 175.905 176.000 -0.031 0.000 0.941 573 Q CA -0.219 55.210 55.803 -0.623 0.000 0.951 573 Q CB 0.119 28.529 28.738 -0.547 0.000 1.188 573 Q HN 0.386 nan 8.270 nan 0.000 0.418 574 S N -0.227 115.562 115.700 0.150 0.000 2.562 574 S HA 0.472 4.952 4.470 0.018 0.000 0.275 574 S C -0.213 174.606 174.600 0.365 0.000 1.281 574 S CA -0.655 57.736 58.200 0.320 0.000 1.045 574 S CB 0.968 64.313 63.200 0.242 0.000 0.962 574 S HN 0.335 nan 8.310 nan 0.000 0.503 575 L N 3.243 124.576 121.223 0.183 0.000 2.342 575 L HA 0.569 4.920 4.340 0.018 0.000 0.271 575 L C -0.115 176.659 176.870 -0.161 0.000 1.008 575 L CA -1.060 53.738 54.840 -0.070 0.000 0.818 575 L CB 1.794 43.610 42.059 -0.405 0.000 1.296 575 L HN 0.706 nan 8.230 nan 0.000 0.427 576 I N 2.620 123.039 120.570 -0.252 0.000 2.474 576 I HA 0.168 4.349 4.170 0.018 0.000 0.287 576 I C -0.172 175.584 176.117 -0.602 0.000 1.048 576 I CA 0.036 61.063 61.300 -0.456 0.000 1.383 576 I CB 1.036 38.744 38.000 -0.487 0.000 1.412 576 I HN 0.538 nan 8.210 nan 0.000 0.531 577 K N 5.569 125.341 120.400 -1.045 0.000 2.426 577 K HA 0.475 4.806 4.320 0.018 0.000 0.251 577 K C -1.820 174.111 176.600 -1.115 0.000 0.941 577 K CA -0.644 54.969 56.287 -1.123 0.000 0.808 577 K CB 2.395 34.013 32.500 -1.471 0.000 1.265 577 K HN 0.287 nan 8.250 nan 0.000 0.432 578 Y N 1.193 121.425 120.300 -0.112 0.000 2.364 578 Y HA 0.148 4.709 4.550 0.018 0.000 0.340 578 Y C 0.501 176.572 175.900 0.286 0.000 0.975 578 Y CA -1.123 57.055 58.100 0.130 0.000 1.089 578 Y CB 1.036 39.522 38.460 0.043 0.000 1.192 578 Y HN 0.690 nan 8.280 nan 0.000 0.454 579 D N 0.530 121.198 120.400 0.447 0.000 2.277 579 D HA -0.060 4.591 4.640 0.018 0.000 0.279 579 D C 1.079 177.464 176.300 0.141 0.000 1.197 579 D CA -0.132 54.007 54.000 0.232 0.000 1.037 579 D CB 0.081 40.938 40.800 0.096 0.000 1.128 579 D HN 0.705 nan 8.370 nan 0.000 0.531 580 E N -0.611 119.629 120.200 0.067 0.000 2.482 580 E HA -0.117 4.244 4.350 0.018 0.000 0.196 580 E C -0.067 176.557 176.600 0.039 0.000 1.047 580 E CA 0.456 56.878 56.400 0.038 0.000 0.869 580 E CB -0.313 29.392 29.700 0.008 0.000 0.836 580 E HN 0.416 nan 8.360 nan 0.000 0.520 581 N N -0.117 118.620 118.700 0.062 0.000 2.170 581 N HA 0.133 4.884 4.740 0.018 0.000 0.222 581 N C 0.940 176.485 175.510 0.058 0.000 1.218 581 N CA 0.484 53.563 53.050 0.049 0.000 0.889 581 N CB 1.219 39.732 38.487 0.043 0.000 1.083 581 N HN 0.253 nan 8.380 nan 0.000 0.520 582 G N 0.994 109.847 108.800 0.090 0.000 2.141 582 G HA2 -0.260 3.711 3.960 0.018 0.000 0.242 582 G HA3 -0.260 3.711 3.960 0.018 0.000 0.242 582 G C -0.434 174.585 174.900 0.198 0.000 0.982 582 G CA -0.349 44.792 45.100 0.068 0.000 0.662 582 G HN 0.300 nan 8.290 nan 0.000 0.527 583 N N 1.658 120.496 118.700 0.231 0.000 2.514 583 N HA 0.527 5.278 4.740 0.018 0.000 0.277 583 N C -2.340 173.378 175.510 0.346 0.000 1.126 583 N CA -1.180 52.017 53.050 0.245 0.000 0.978 583 N CB 1.537 40.132 38.487 0.179 0.000 1.106 583 N HN 0.164 nan 8.380 nan 0.000 0.461 584 P HA 0.473 nan 4.420 nan 0.000 0.283 584 P C -0.678 176.693 177.300 0.118 0.000 1.278 584 P CA -0.487 62.620 63.100 0.012 0.000 0.834 584 P CB 0.894 32.508 31.700 -0.143 0.000 1.150 585 W N -2.629 118.491 121.300 -0.299 0.000 3.499 585 W HA 0.283 4.954 4.660 0.018 0.000 0.288 585 W C -1.921 174.402 176.519 -0.327 0.000 1.258 585 W CA -0.653 56.472 57.345 -0.366 0.000 1.203 585 W CB -0.078 28.933 29.460 -0.748 0.000 1.325 585 W HN 0.079 nan 8.180 nan 0.000 0.564 586 S N 1.890 117.477 115.700 -0.189 0.000 2.474 586 S HA 0.570 5.051 4.470 0.018 0.000 0.276 586 S C 0.321 174.854 174.600 -0.111 0.000 1.227 586 S CA -0.051 58.054 58.200 -0.159 0.000 1.050 586 S CB 0.717 63.948 63.200 0.051 0.000 0.939 586 S HN 0.638 nan 8.310 nan 0.000 0.490 587 A N 3.396 126.024 122.820 -0.320 0.000 2.303 587 A HA 0.805 5.135 4.320 0.018 0.000 0.317 587 A C -0.543 177.320 177.584 0.464 0.000 1.149 587 A CA -0.535 51.447 52.037 -0.092 0.000 0.822 587 A CB 0.409 19.255 19.000 -0.257 0.000 1.131 587 A HN 0.868 nan 8.150 nan 0.000 0.493 588 Y N -0.224 120.429 120.300 0.588 0.000 2.974 588 Y HA 0.717 5.278 4.550 0.018 0.000 0.310 588 Y C 0.476 176.756 175.900 0.634 0.000 1.551 588 Y CA -1.556 56.885 58.100 0.567 0.000 1.084 588 Y CB 0.008 38.600 38.460 0.221 0.000 1.446 588 Y HN 1.061 nan 8.280 nan 0.000 0.472 589 G N 0.513 109.771 108.800 0.764 0.000 2.115 589 G HA2 0.359 4.330 3.960 0.018 0.000 0.244 589 G HA3 0.359 4.330 3.960 0.018 0.000 0.244 589 G C 1.083 176.384 174.900 0.668 0.000 1.105 589 G CA 0.692 46.138 45.100 0.577 0.000 0.893 589 G HN 2.089 nan 8.290 nan 0.000 0.443 590 G N 2.401 111.547 108.800 0.576 0.000 2.166 590 G HA2 -0.291 3.680 3.960 0.018 0.000 0.260 590 G HA3 -0.291 3.680 3.960 0.018 0.000 0.260 590 G C 0.800 175.970 174.900 0.449 0.000 0.986 590 G CA 0.764 46.143 45.100 0.465 0.000 0.683 590 G HN 0.690 nan 8.290 nan 0.000 0.527 591 D N -0.666 120.084 120.400 0.583 0.000 2.363 591 D HA 0.145 4.796 4.640 0.018 0.000 0.220 591 D C 1.194 177.411 176.300 -0.139 0.000 0.994 591 D CA 0.451 54.599 54.000 0.246 0.000 0.890 591 D CB -0.133 40.789 40.800 0.203 0.000 0.906 591 D HN 0.464 nan 8.370 nan 0.000 0.530 592 F N -0.616 119.473 119.950 0.230 0.000 2.791 592 F HA 0.340 4.878 4.527 0.018 0.000 0.308 592 F C 1.664 177.563 175.800 0.166 0.000 1.138 592 F CA -0.618 57.478 58.000 0.160 0.000 1.294 592 F CB 0.373 39.445 39.000 0.120 0.000 0.975 592 F HN -0.122 nan 8.300 nan 0.000 0.512 593 G N 0.832 109.794 108.800 0.270 0.000 2.233 593 G HA2 -0.319 3.652 3.960 0.018 0.000 0.270 593 G HA3 -0.319 3.652 3.960 0.018 0.000 0.270 593 G C -0.101 174.945 174.900 0.243 0.000 1.011 593 G CA 0.464 45.692 45.100 0.213 0.000 0.762 593 G HN 0.485 nan 8.290 nan 0.000 0.511 594 D N 0.304 120.899 120.400 0.326 0.000 2.383 594 D HA 0.451 5.102 4.640 0.018 0.000 0.252 594 D C 0.096 176.537 176.300 0.236 0.000 1.166 594 D CA 0.329 54.514 54.000 0.309 0.000 0.879 594 D CB 1.279 42.325 40.800 0.411 0.000 1.164 594 D HN 0.046 nan 8.370 nan 0.000 0.462 595 T N 2.077 116.740 114.554 0.181 0.000 2.933 595 T HA 0.484 4.844 4.350 0.018 0.000 0.305 595 T C -2.413 172.339 174.700 0.087 0.000 1.092 595 T CA -1.007 61.168 62.100 0.125 0.000 1.008 595 T CB 1.953 70.887 68.868 0.111 0.000 1.102 595 T HN 0.370 nan 8.240 nan 0.000 0.469 596 P HA 0.422 nan 4.420 nan 0.000 0.276 596 P C -1.137 176.171 177.300 0.013 0.000 1.252 596 P CA -0.624 62.491 63.100 0.024 0.000 0.802 596 P CB 0.630 32.317 31.700 -0.020 0.000 1.035 597 N N -0.394 118.321 118.700 0.025 0.000 2.331 597 N HA 0.170 4.921 4.740 0.018 0.000 0.280 597 N C -1.493 174.038 175.510 0.035 0.000 1.155 597 N CA -0.642 52.423 53.050 0.025 0.000 0.822 597 N CB 1.582 40.170 38.487 0.169 0.000 1.619 597 N HN 0.160 nan 8.380 nan 0.000 0.476 598 D N 0.954 121.361 120.400 0.010 0.000 2.615 598 D HA 0.181 4.832 4.640 0.018 0.000 0.236 598 D C 0.545 177.060 176.300 0.360 0.000 1.233 598 D CA -0.459 53.641 54.000 0.167 0.000 0.829 598 D CB 0.387 41.211 40.800 0.039 0.000 1.024 598 D HN 0.564 nan 8.370 nan 0.000 0.490 599 R N 0.153 120.819 120.500 0.276 0.000 3.614 599 R HA -0.427 3.924 4.340 0.018 0.000 0.542 599 R C 1.163 177.275 176.300 -0.314 0.000 0.241 599 R CA 1.577 57.737 56.100 0.100 0.000 1.684 599 R CB -1.224 29.078 30.300 0.003 0.000 0.889 599 R HN 0.141 nan 8.270 nan 0.000 0.611 600 Q N 0.459 119.813 119.800 -0.743 0.000 2.297 600 Q HA -0.047 4.304 4.340 0.018 0.000 0.208 600 Q C 1.862 177.456 176.000 -0.676 0.000 0.981 600 Q CA 1.921 57.158 55.803 -0.943 0.000 0.876 600 Q CB -0.277 27.843 28.738 -1.031 0.000 0.921 600 Q HN 0.438 nan 8.270 nan 0.000 0.446 601 F N 0.025 119.828 119.950 -0.244 0.000 2.500 601 F HA -0.209 4.329 4.527 0.018 0.000 0.294 601 F C 1.691 177.417 175.800 -0.123 0.000 1.101 601 F CA 0.677 58.635 58.000 -0.070 0.000 1.484 601 F CB -0.454 38.582 39.000 0.060 0.000 1.110 601 F HN 0.361 nan 8.300 nan 0.000 0.603 602 C N -1.870 117.125 119.300 -0.507 0.000 2.906 602 C HA 0.388 4.859 4.460 0.018 0.000 0.274 602 C C 0.927 175.675 174.990 -0.404 0.000 1.257 602 C CA -0.552 58.005 59.018 -0.768 0.000 1.695 602 C CB -1.199 25.397 27.740 -1.907 0.000 1.958 602 C HN 0.269 nan 8.230 nan 0.000 0.619 603 M N 2.897 122.310 119.600 -0.313 0.000 2.999 603 M HA 0.305 4.796 4.480 0.018 0.000 0.206 603 M C -0.373 175.768 176.300 -0.265 0.000 1.111 603 M CA 0.153 55.307 55.300 -0.243 0.000 0.946 603 M CB 0.038 32.529 32.600 -0.182 0.000 1.330 603 M HN 0.274 nan 8.290 nan 0.000 0.533 604 N N 0.658 119.224 118.700 -0.222 0.000 2.234 604 N HA 0.154 4.905 4.740 0.018 0.000 0.227 604 N C 0.541 175.829 175.510 -0.369 0.000 1.151 604 N CA -0.031 52.844 53.050 -0.292 0.000 0.865 604 N CB 0.916 39.367 38.487 -0.060 0.000 1.066 604 N HN 0.518 nan 8.380 nan 0.000 0.515 605 G N 0.057 108.581 108.800 -0.460 0.000 2.572 605 G HA2 0.347 4.318 3.960 0.018 0.000 0.261 605 G HA3 0.347 4.318 3.960 0.018 0.000 0.261 605 G C 0.929 175.366 174.900 -0.772 0.000 1.197 605 G CA -0.499 44.270 45.100 -0.551 0.000 0.870 605 G HN 0.147 nan 8.290 nan 0.000 0.548 606 L N 0.002 120.845 121.223 -0.633 0.000 2.418 606 L HA 0.149 4.500 4.340 0.018 0.000 0.218 606 L C 0.833 177.376 176.870 -0.544 0.000 1.125 606 L CA 0.311 54.830 54.840 -0.535 0.000 0.835 606 L CB -0.165 41.715 42.059 -0.297 0.000 0.953 606 L HN 0.410 nan 8.230 nan 0.000 0.454 607 V N -4.976 114.525 119.914 -0.688 0.000 2.962 607 V HA 0.472 4.603 4.120 0.018 0.000 0.313 607 V C -0.431 175.528 176.094 -0.224 0.000 1.099 607 V CA -1.225 60.838 62.300 -0.394 0.000 0.971 607 V CB 1.726 33.218 31.823 -0.551 0.000 1.028 607 V HN -0.117 nan 8.190 nan 0.000 0.430 608 F N 1.689 121.654 119.950 0.026 0.000 2.444 608 F HA 0.569 5.107 4.527 0.019 0.000 0.331 608 F C 1.960 177.728 175.800 -0.053 0.000 1.167 608 F CA 0.436 58.453 58.000 0.029 0.000 1.262 608 F CB 1.199 40.171 39.000 -0.047 0.000 1.196 608 F HN 0.819 nan 8.300 nan 0.000 0.583 609 A N 1.091 124.040 122.820 0.216 0.000 1.997 609 A HA -0.271 4.060 4.320 0.018 0.000 0.221 609 A C 1.682 179.290 177.584 0.040 0.000 1.172 609 A CA 2.042 54.160 52.037 0.135 0.000 0.645 609 A CB -0.975 18.158 19.000 0.222 0.000 0.813 609 A HN 0.826 nan 8.150 nan 0.000 0.454 610 D N -2.641 117.784 120.400 0.042 0.000 2.352 610 D HA 0.070 4.721 4.640 0.018 0.000 0.232 610 D C 0.403 176.702 176.300 -0.000 0.000 1.055 610 D CA 0.165 54.159 54.000 -0.010 0.000 0.891 610 D CB -0.224 40.559 40.800 -0.028 0.000 0.897 610 D HN 0.186 nan 8.370 nan 0.000 0.529 611 R N -0.915 119.592 120.500 0.012 0.000 3.654 611 R HA -0.110 4.240 4.340 0.018 0.000 0.302 611 R C -0.531 175.787 176.300 0.030 0.000 1.166 611 R CA 0.900 56.995 56.100 -0.007 0.000 0.810 611 R CB -3.395 26.920 30.300 0.025 0.000 1.323 611 R HN 0.523 nan 8.270 nan 0.000 0.478 612 T N -1.829 112.794 114.554 0.116 0.000 2.767 612 T HA 0.661 5.022 4.350 0.018 0.000 0.284 612 T C -2.375 172.447 174.700 0.204 0.000 0.973 612 T CA -2.349 59.848 62.100 0.163 0.000 0.996 612 T CB 2.252 71.189 68.868 0.115 0.000 0.927 612 T HN -0.182 nan 8.240 nan 0.000 0.456 613 P HA 0.006 nan 4.420 nan 0.000 0.263 613 P C -0.066 177.166 177.300 -0.114 0.000 1.175 613 P CA 0.112 63.196 63.100 -0.027 0.000 0.761 613 P CB 0.206 31.906 31.700 0.000 0.000 0.794 614 H N 4.321 123.183 119.070 -0.346 0.000 2.487 614 H HA 0.106 4.673 4.556 0.018 0.000 0.333 614 H C -1.175 174.041 175.328 -0.186 0.000 1.114 614 H CA -1.684 54.132 56.048 -0.386 0.000 1.310 614 H CB 0.971 30.493 29.762 -0.399 0.000 1.462 614 H HN 0.303 nan 8.280 nan 0.000 0.516 615 P HA -0.159 nan 4.420 nan 0.000 0.220 615 P C 1.134 178.436 177.300 0.003 0.000 1.144 615 P CA 1.146 64.227 63.100 -0.031 0.000 0.800 615 P CB 0.023 31.701 31.700 -0.037 0.000 0.772 616 A N -0.565 122.266 122.820 0.018 0.000 2.178 616 A HA -0.132 4.199 4.320 0.018 0.000 0.218 616 A C 1.996 179.529 177.584 -0.086 0.000 1.157 616 A CA 0.803 52.814 52.037 -0.043 0.000 0.689 616 A CB -1.479 17.469 19.000 -0.085 0.000 0.787 616 A HN 0.143 nan 8.150 nan 0.000 0.465 617 L N -0.278 120.918 121.223 -0.045 0.000 2.261 617 L HA -0.105 4.246 4.340 0.018 0.000 0.216 617 L C 2.251 179.131 176.870 0.016 0.000 1.114 617 L CA 2.464 57.299 54.840 -0.009 0.000 0.777 617 L CB -0.797 41.279 42.059 0.028 0.000 0.910 617 L HN 0.373 nan 8.230 nan 0.000 0.440 618 T N -1.570 113.001 114.554 0.027 0.000 2.894 618 T HA -0.112 4.248 4.350 0.018 0.000 0.258 618 T C 1.675 176.440 174.700 0.108 0.000 1.043 618 T CA 1.089 63.250 62.100 0.102 0.000 1.141 618 T CB 0.032 68.967 68.868 0.112 0.000 0.873 618 T HN 0.296 nan 8.240 nan 0.000 0.449 619 E N 1.510 121.734 120.200 0.041 0.000 2.153 619 E HA -0.052 4.309 4.350 0.018 0.000 0.194 619 E C 2.052 178.617 176.600 -0.059 0.000 0.988 619 E CA 1.128 57.560 56.400 0.054 0.000 0.811 619 E CB -0.331 29.391 29.700 0.037 0.000 0.746 619 E HN 0.456 nan 8.360 nan 0.000 0.466 620 A N 1.087 123.757 122.820 -0.250 0.000 1.825 620 A HA -0.214 4.117 4.320 0.018 0.000 0.214 620 A C 2.138 179.535 177.584 -0.311 0.000 1.206 620 A CA 1.927 53.709 52.037 -0.426 0.000 0.609 620 A CB -0.822 17.885 19.000 -0.488 0.000 0.851 620 A HN 0.269 nan 8.150 nan 0.000 0.445 621 K N -0.991 119.287 120.400 -0.203 0.000 2.097 621 K HA -0.312 4.019 4.320 0.018 0.000 0.214 621 K C 2.064 178.528 176.600 -0.226 0.000 1.052 621 K CA 2.293 58.480 56.287 -0.165 0.000 0.932 621 K CB -0.470 32.084 32.500 0.090 0.000 0.716 621 K HN 0.789 nan 8.250 nan 0.000 0.455 622 H N -0.676 118.197 119.070 -0.328 0.000 2.276 622 H HA -0.098 4.469 4.556 0.019 0.000 0.301 622 H C 2.010 177.036 175.328 -0.503 0.000 1.073 622 H CA 1.393 57.095 56.048 -0.577 0.000 1.311 622 H CB 0.210 29.641 29.762 -0.552 0.000 1.379 622 H HN 0.297 nan 8.280 nan 0.000 0.494 623 Q N 0.668 120.102 119.800 -0.610 0.000 2.112 623 Q HA -0.178 4.173 4.340 0.018 0.000 0.206 623 Q C 2.045 177.469 176.000 -0.959 0.000 0.987 623 Q CA 1.443 56.827 55.803 -0.697 0.000 0.858 623 Q CB -0.342 28.160 28.738 -0.393 0.000 0.905 623 Q HN 0.718 nan 8.270 nan 0.000 0.420 624 Q N 1.259 120.458 119.800 -1.002 0.000 2.515 624 Q HA -0.034 4.317 4.340 0.018 0.000 0.214 624 Q C 0.563 175.990 176.000 -0.956 0.000 0.971 624 Q CA -0.124 54.987 55.803 -1.154 0.000 0.952 624 Q CB -0.098 28.034 28.738 -1.010 0.000 0.999 624 Q HN 0.466 nan 8.270 nan 0.000 0.524 625 Q N -0.386 118.968 119.800 -0.744 0.000 2.474 625 Q HA -0.030 4.321 4.340 0.018 0.000 0.256 625 Q C -0.117 175.368 176.000 -0.860 0.000 1.048 625 Q CA 0.215 55.620 55.803 -0.662 0.000 0.922 625 Q CB 0.368 28.905 28.738 -0.334 0.000 1.288 625 Q HN 0.181 nan 8.270 nan 0.000 0.484 626 F N -0.439 119.204 119.950 -0.511 0.000 2.615 626 F HA 0.203 4.740 4.527 0.017 0.000 0.297 626 F C 0.175 175.358 175.800 -1.029 0.000 1.124 626 F CA 0.090 57.539 58.000 -0.918 0.000 1.451 626 F CB 0.358 38.357 39.000 -1.668 0.000 1.103 626 F HN 0.320 nan 8.300 nan 0.000 0.569 627 F N 0.525 120.361 119.950 -0.190 0.000 2.458 627 F HA 0.442 4.981 4.527 0.019 0.000 0.336 627 F C 0.065 175.450 175.800 -0.690 0.000 1.114 627 F CA -1.109 56.692 58.000 -0.332 0.000 0.987 627 F CB 0.977 39.839 39.000 -0.230 0.000 1.130 627 F HN -0.315 nan 8.300 nan 0.000 0.458 628 Q N 3.222 122.709 119.800 -0.521 0.000 2.266 628 Q HA 0.564 4.915 4.340 0.018 0.000 0.261 628 Q C -1.230 174.368 176.000 -0.670 0.000 0.985 628 Q CA -0.613 54.865 55.803 -0.543 0.000 0.873 628 Q CB 2.650 31.248 28.738 -0.233 0.000 1.306 628 Q HN 0.556 nan 8.270 nan 0.000 0.447 629 F N 0.411 120.474 119.950 0.188 0.000 2.563 629 F HA 0.591 5.129 4.527 0.019 0.000 0.316 629 F C 0.314 176.350 175.800 0.393 0.000 1.076 629 F CA -0.937 57.257 58.000 0.323 0.000 0.921 629 F CB 1.929 41.240 39.000 0.518 0.000 1.209 629 F HN 0.099 nan 8.300 nan 0.000 0.462 630 R N 2.511 123.340 120.500 0.549 0.000 2.502 630 R HA 0.515 4.866 4.340 0.018 0.000 0.298 630 R C -1.628 174.728 176.300 0.094 0.000 1.018 630 R CA -0.850 55.460 56.100 0.350 0.000 0.899 630 R CB 2.691 33.098 30.300 0.179 0.000 1.181 630 R HN 0.728 nan 8.270 nan 0.000 0.444 631 L N 1.115 122.232 121.223 -0.176 0.000 2.295 631 L HA 0.519 4.869 4.340 0.018 0.000 0.285 631 L C -0.522 176.156 176.870 -0.321 0.000 1.035 631 L CA -0.007 54.491 54.840 -0.570 0.000 0.806 631 L CB 1.896 43.087 42.059 -1.446 0.000 1.214 631 L HN 0.491 nan 8.230 nan 0.000 0.426 632 S N 3.891 119.446 115.700 -0.241 0.000 2.542 632 S HA 0.685 5.166 4.470 0.018 0.000 0.245 632 S C 0.391 174.892 174.600 -0.165 0.000 1.325 632 S CA 0.255 58.359 58.200 -0.161 0.000 1.176 632 S CB 0.191 63.335 63.200 -0.094 0.000 1.045 632 S HN 1.408 nan 8.310 nan 0.000 0.481 633 G N 4.468 113.163 108.800 -0.175 0.000 2.720 633 G HA2 -0.343 3.627 3.960 0.018 0.000 0.293 633 G HA3 -0.343 3.627 3.960 0.018 0.000 0.293 633 G C 0.485 175.269 174.900 -0.193 0.000 1.256 633 G CA 0.689 45.696 45.100 -0.155 0.000 0.974 633 G HN 0.937 nan 8.290 nan 0.000 0.551 634 Q N -0.148 119.546 119.800 -0.176 0.000 2.159 634 Q HA 0.508 4.859 4.340 0.018 0.000 0.217 634 Q C 0.261 176.126 176.000 -0.226 0.000 0.818 634 Q CA 0.688 56.367 55.803 -0.207 0.000 1.008 634 Q CB 0.641 29.277 28.738 -0.170 0.000 1.148 634 Q HN 0.473 nan 8.270 nan 0.000 0.491 635 T N 1.174 115.608 114.554 -0.201 0.000 2.902 635 T HA 0.621 4.982 4.350 0.018 0.000 0.283 635 T C -0.766 173.814 174.700 -0.201 0.000 1.009 635 T CA -0.352 61.645 62.100 -0.171 0.000 1.051 635 T CB 1.097 69.897 68.868 -0.115 0.000 0.999 635 T HN 0.208 nan 8.240 nan 0.000 0.474 636 I N 2.036 122.518 120.570 -0.146 0.000 2.499 636 I HA 0.308 4.489 4.170 0.018 0.000 0.288 636 I C -0.074 176.063 176.117 0.033 0.000 1.048 636 I CA -0.558 60.684 61.300 -0.096 0.000 1.062 636 I CB 2.059 40.003 38.000 -0.094 0.000 1.238 636 I HN 0.519 nan 8.210 nan 0.000 0.426 637 E N 5.978 126.232 120.200 0.090 0.000 2.134 637 E HA 0.508 4.869 4.350 0.018 0.000 0.278 637 E C -1.543 175.201 176.600 0.239 0.000 0.959 637 E CA -0.516 55.962 56.400 0.130 0.000 0.783 637 E CB 1.695 31.446 29.700 0.086 0.000 1.095 637 E HN 0.317 nan 8.360 nan 0.000 0.399 638 V N 3.998 124.034 119.914 0.202 0.000 2.459 638 V HA 0.344 4.475 4.120 0.018 0.000 0.295 638 V C -0.372 175.778 176.094 0.093 0.000 1.029 638 V CA -0.409 62.006 62.300 0.192 0.000 0.874 638 V CB 2.123 34.086 31.823 0.233 0.000 0.985 638 V HN 0.728 nan 8.190 nan 0.000 0.438 639 T N 3.259 117.818 114.554 0.010 0.000 2.809 639 T HA 0.279 4.640 4.350 0.018 0.000 0.284 639 T C -0.218 174.493 174.700 0.018 0.000 0.992 639 T CA -0.288 61.820 62.100 0.013 0.000 0.957 639 T CB 1.400 70.251 68.868 -0.028 0.000 0.942 639 T HN 0.619 nan 8.240 nan 0.000 0.439 640 S N 2.189 117.928 115.700 0.065 0.000 2.489 640 S HA 0.179 4.660 4.470 0.018 0.000 0.277 640 S C 0.889 175.417 174.600 -0.120 0.000 1.230 640 S CA -0.590 57.608 58.200 -0.004 0.000 1.053 640 S CB 0.433 63.727 63.200 0.157 0.000 0.955 640 S HN 0.681 nan 8.310 nan 0.000 0.488 641 E N 3.542 123.579 120.200 -0.273 0.000 2.463 641 E HA 0.059 4.420 4.350 0.018 0.000 0.193 641 E C -0.687 175.784 176.600 -0.214 0.000 1.041 641 E CA -0.033 56.251 56.400 -0.195 0.000 0.879 641 E CB 0.249 29.860 29.700 -0.148 0.000 0.997 641 E HN 0.705 nan 8.360 nan 0.000 0.478 642 Y N 0.562 120.746 120.300 -0.194 0.000 2.359 642 Y HA 0.046 4.607 4.550 0.018 0.000 0.330 642 Y C 1.398 177.122 175.900 -0.293 0.000 1.143 642 Y CA -0.335 57.581 58.100 -0.307 0.000 1.318 642 Y CB 0.845 39.130 38.460 -0.293 0.000 1.234 642 Y HN -0.032 nan 8.280 nan 0.000 0.522 643 L N 2.220 123.298 121.223 -0.242 0.000 2.408 643 L HA 0.063 4.414 4.340 0.018 0.000 0.215 643 L C 0.555 176.910 176.870 -0.857 0.000 1.081 643 L CA 0.659 55.102 54.840 -0.662 0.000 0.840 643 L CB 0.115 41.499 42.059 -1.124 0.000 1.002 643 L HN 0.660 nan 8.230 nan 0.000 0.468 644 F N -0.758 119.178 119.950 -0.024 0.000 2.784 644 F HA 0.205 4.741 4.527 0.017 0.000 0.316 644 F C 1.169 176.933 175.800 -0.060 0.000 1.026 644 F CA -0.801 57.163 58.000 -0.059 0.000 1.188 644 F CB 0.492 39.432 39.000 -0.100 0.000 0.999 644 F HN -0.140 nan 8.300 nan 0.000 0.605 645 R N 0.165 120.683 120.500 0.029 0.000 2.540 645 R HA 0.466 4.817 4.340 0.018 0.000 0.287 645 R C -1.004 175.291 176.300 -0.009 0.000 0.980 645 R CA -0.545 55.526 56.100 -0.049 0.000 0.966 645 R CB 0.941 31.107 30.300 -0.224 0.000 1.106 645 R HN 0.072 nan 8.270 nan 0.000 0.480 646 H N 1.031 120.084 119.070 -0.029 0.000 2.482 646 H HA 0.210 4.777 4.556 0.018 0.000 0.344 646 H C -0.380 174.980 175.328 0.054 0.000 1.151 646 H CA -0.105 55.964 56.048 0.036 0.000 1.300 646 H CB 1.291 31.075 29.762 0.037 0.000 1.494 646 H HN 0.786 nan 8.280 nan 0.000 0.542 647 S N 2.338 117.950 115.700 -0.148 0.000 2.700 647 S HA 0.036 4.517 4.470 0.018 0.000 0.321 647 S C -0.298 174.394 174.600 0.154 0.000 1.161 647 S CA -0.274 57.985 58.200 0.098 0.000 1.078 647 S CB -0.397 62.877 63.200 0.122 0.000 1.302 647 S HN 0.732 nan 8.310 nan 0.000 0.540 648 D N 0.772 121.261 120.400 0.149 0.000 2.501 648 D HA 0.178 4.829 4.640 0.018 0.000 0.226 648 D C 0.226 176.579 176.300 0.088 0.000 1.198 648 D CA -0.491 53.589 54.000 0.133 0.000 0.830 648 D CB -0.115 40.754 40.800 0.115 0.000 1.014 648 D HN 0.477 nan 8.370 nan 0.000 0.496 649 N N -0.008 118.751 118.700 0.097 0.000 2.527 649 N HA 0.130 4.881 4.740 0.018 0.000 0.279 649 N C -1.401 174.171 175.510 0.104 0.000 1.571 649 N CA -0.098 53.000 53.050 0.081 0.000 0.858 649 N CB 0.456 38.983 38.487 0.066 0.000 1.422 649 N HN -0.014 nan 8.380 nan 0.000 0.491 650 E N -0.078 120.174 120.200 0.086 0.000 2.238 650 E HA 0.647 5.008 4.350 0.018 0.000 0.267 650 E C -1.384 175.234 176.600 0.031 0.000 0.887 650 E CA -0.510 55.923 56.400 0.055 0.000 0.769 650 E CB 2.269 31.949 29.700 -0.034 0.000 1.187 650 E HN 0.142 nan 8.360 nan 0.000 0.416 651 L N 2.516 123.762 121.223 0.038 0.000 2.455 651 L HA 0.472 4.823 4.340 0.018 0.000 0.264 651 L C -1.790 175.126 176.870 0.077 0.000 0.968 651 L CA -0.813 54.056 54.840 0.049 0.000 0.827 651 L CB 1.810 43.892 42.059 0.038 0.000 1.317 651 L HN 0.473 nan 8.230 nan 0.000 0.407 652 L N 2.878 124.169 121.223 0.112 0.000 2.295 652 L HA 0.518 4.869 4.340 0.018 0.000 0.281 652 L C -0.526 176.506 176.870 0.269 0.000 1.018 652 L CA 0.190 55.133 54.840 0.171 0.000 0.841 652 L CB 0.844 42.996 42.059 0.156 0.000 1.218 652 L HN 0.612 nan 8.230 nan 0.000 0.424 653 H N 5.208 124.334 119.070 0.093 0.000 2.546 653 H HA 0.471 5.037 4.556 0.018 0.000 0.365 653 H C -1.345 174.071 175.328 0.147 0.000 1.220 653 H CA -0.365 55.692 56.048 0.014 0.000 1.386 653 H CB 0.848 30.581 29.762 -0.048 0.000 1.510 653 H HN 0.816 nan 8.280 nan 0.000 0.591 654 W N 3.762 124.937 121.300 -0.208 0.000 3.248 654 W HA 0.418 5.089 4.660 0.018 0.000 0.311 654 W C -2.284 174.032 176.519 -0.338 0.000 1.258 654 W CA -1.125 56.101 57.345 -0.199 0.000 1.191 654 W CB 1.005 30.442 29.460 -0.039 0.000 1.389 654 W HN 0.652 nan 8.180 nan 0.000 0.561 655 M N 2.630 122.336 119.600 0.176 0.000 2.520 655 M HA 0.702 5.193 4.480 0.018 0.000 0.280 655 M C -2.385 174.054 176.300 0.231 0.000 1.232 655 M CA -0.478 54.846 55.300 0.040 0.000 0.892 655 M CB 2.448 34.935 32.600 -0.187 0.000 1.728 655 M HN 0.199 nan 8.290 nan 0.000 0.475 656 V N 2.224 122.258 119.914 0.199 0.000 2.769 656 V HA 1.042 5.173 4.120 0.018 0.000 0.312 656 V C -0.662 175.511 176.094 0.133 0.000 1.061 656 V CA -0.229 62.189 62.300 0.197 0.000 0.931 656 V CB 1.647 33.593 31.823 0.206 0.000 1.010 656 V HN 1.091 nan 8.190 nan 0.000 0.433 657 A N 3.566 126.486 122.820 0.167 0.000 2.521 657 A HA 0.585 4.916 4.320 0.018 0.000 0.298 657 A C -1.410 176.280 177.584 0.178 0.000 1.044 657 A CA -0.475 51.636 52.037 0.123 0.000 0.911 657 A CB 0.936 19.969 19.000 0.054 0.000 1.376 657 A HN 0.709 nan 8.150 nan 0.000 0.392 658 L N 2.170 123.470 121.223 0.128 0.000 2.499 658 L HA 0.217 4.568 4.340 0.018 0.000 0.273 658 L C 0.092 177.047 176.870 0.142 0.000 1.195 658 L CA 0.737 55.663 54.840 0.143 0.000 0.882 658 L CB -0.489 41.622 42.059 0.087 0.000 1.133 658 L HN 0.787 nan 8.230 nan 0.000 0.483 659 D N 5.175 125.711 120.400 0.227 0.000 3.053 659 D HA -0.190 4.461 4.640 0.018 0.000 0.201 659 D C 1.299 177.604 176.300 0.010 0.000 1.266 659 D CA 1.247 55.369 54.000 0.202 0.000 0.637 659 D CB -0.863 40.045 40.800 0.180 0.000 0.939 659 D HN 1.009 nan 8.370 nan 0.000 0.393 660 G N -0.248 108.513 108.800 -0.064 0.000 2.241 660 G HA2 -0.360 3.610 3.960 0.018 0.000 0.244 660 G HA3 -0.360 3.610 3.960 0.018 0.000 0.244 660 G C 0.108 174.912 174.900 -0.160 0.000 0.998 660 G CA 0.427 45.390 45.100 -0.227 0.000 0.621 660 G HN 0.537 nan 8.290 nan 0.000 0.519 661 K N 1.587 121.946 120.400 -0.069 0.000 2.265 661 K HA 0.629 4.959 4.320 0.018 0.000 0.267 661 K C -2.869 173.716 176.600 -0.025 0.000 0.994 661 K CA -2.269 53.985 56.287 -0.055 0.000 0.860 661 K CB 2.046 34.525 32.500 -0.036 0.000 1.099 661 K HN 0.021 nan 8.250 nan 0.000 0.448 662 P HA 0.066 nan 4.420 nan 0.000 0.268 662 P C -0.278 177.017 177.300 -0.008 0.000 1.205 662 P CA -0.137 62.944 63.100 -0.032 0.000 0.771 662 P CB 0.532 32.196 31.700 -0.059 0.000 0.858 663 L N 0.804 122.035 121.223 0.014 0.000 3.360 663 L HA 0.630 4.981 4.340 0.018 0.000 0.303 663 L C 0.377 177.271 176.870 0.040 0.000 1.218 663 L CA -0.155 54.702 54.840 0.028 0.000 1.059 663 L CB 0.434 42.521 42.059 0.046 0.000 1.468 663 L HN 0.329 nan 8.230 nan 0.000 0.614 664 A N -0.396 122.438 122.820 0.024 0.000 2.586 664 A HA 0.758 5.089 4.320 0.018 0.000 0.296 664 A C -1.040 176.436 177.584 -0.180 0.000 1.040 664 A CA -0.248 51.795 52.037 0.010 0.000 0.701 664 A CB 1.452 20.575 19.000 0.205 0.000 1.277 664 A HN -0.089 nan 8.150 nan 0.000 0.413 665 S N -0.966 114.466 115.700 -0.446 0.000 2.627 665 S HA 0.985 5.466 4.470 0.018 0.000 0.283 665 S C -0.231 173.559 174.600 -1.351 0.000 1.127 665 S CA -0.082 57.666 58.200 -0.755 0.000 0.863 665 S CB 2.214 65.260 63.200 -0.257 0.000 1.121 665 S HN 2.257 nan 8.310 nan 0.000 0.479 666 G N 1.082 108.984 108.800 -1.497 0.000 2.503 666 G HA2 0.490 4.461 3.960 0.018 0.000 0.305 666 G HA3 0.490 4.461 3.960 0.018 0.000 0.305 666 G C -2.199 172.300 174.900 -0.667 0.000 1.575 666 G CA -0.732 43.563 45.100 -1.342 0.000 0.890 666 G HN 0.504 nan 8.290 nan 0.000 0.612 667 E N -0.187 119.960 120.200 -0.089 0.000 2.183 667 E HA 0.702 5.063 4.350 0.018 0.000 0.271 667 E C -0.732 175.982 176.600 0.190 0.000 0.919 667 E CA -0.987 55.459 56.400 0.076 0.000 0.781 667 E CB 3.042 32.723 29.700 -0.033 0.000 1.140 667 E HN 0.360 nan 8.360 nan 0.000 0.402 668 V N 3.045 123.087 119.914 0.213 0.000 2.737 668 V HA 0.265 4.396 4.120 0.018 0.000 0.298 668 V C -2.558 173.615 176.094 0.132 0.000 1.163 668 V CA -1.866 60.546 62.300 0.187 0.000 0.925 668 V CB 1.837 33.800 31.823 0.233 0.000 1.037 668 V HN 0.609 nan 8.190 nan 0.000 0.433 669 P HA 0.257 nan 4.420 nan 0.000 0.271 669 P C -0.628 176.711 177.300 0.065 0.000 1.226 669 P CA 0.079 63.221 63.100 0.070 0.000 0.765 669 P CB 0.672 32.411 31.700 0.065 0.000 0.835 670 L N 3.383 124.628 121.223 0.037 0.000 2.305 670 L HA 0.306 4.656 4.340 0.018 0.000 0.281 670 L C 0.753 177.652 176.870 0.049 0.000 1.085 670 L CA 0.158 55.005 54.840 0.012 0.000 0.813 670 L CB 0.351 42.348 42.059 -0.105 0.000 1.157 670 L HN 0.272 nan 8.230 nan 0.000 0.436 671 D N 3.049 123.494 120.400 0.076 0.000 2.441 671 D HA 0.364 5.015 4.640 0.018 0.000 0.287 671 D C -1.147 175.184 176.300 0.053 0.000 1.198 671 D CA -0.138 53.967 54.000 0.174 0.000 0.894 671 D CB 0.877 41.817 40.800 0.233 0.000 1.070 671 D HN 0.104 nan 8.370 nan 0.000 0.499 672 V N 0.872 120.652 119.914 -0.224 0.000 2.540 672 V HA 0.887 5.018 4.120 0.018 0.000 0.302 672 V C 0.813 176.639 176.094 -0.446 0.000 1.035 672 V CA -1.282 60.916 62.300 -0.169 0.000 0.873 672 V CB 1.149 32.994 31.823 0.037 0.000 0.992 672 V HN 0.411 nan 8.190 nan 0.000 0.428 673 A N 6.346 129.072 122.820 -0.156 0.000 2.249 673 A HA 0.822 5.153 4.320 0.018 0.000 0.281 673 A C -2.352 175.241 177.584 0.016 0.000 1.127 673 A CA -1.616 50.403 52.037 -0.029 0.000 0.833 673 A CB -0.142 18.993 19.000 0.225 0.000 1.140 673 A HN 0.701 nan 8.150 nan 0.000 0.502 674 P HA 0.067 nan 4.420 nan 0.000 0.269 674 P C -0.516 176.779 177.300 -0.007 0.000 1.209 674 P CA 0.452 63.564 63.100 0.021 0.000 0.776 674 P CB 0.582 32.260 31.700 -0.037 0.000 0.876 675 Q N -1.790 117.991 119.800 -0.031 0.000 2.284 675 Q HA -0.186 4.165 4.340 0.018 0.000 0.205 675 Q C 0.766 176.765 176.000 -0.002 0.000 0.682 675 Q CA 1.966 57.750 55.803 -0.032 0.000 1.401 675 Q CB -2.697 26.015 28.738 -0.043 0.000 1.643 675 Q HN 0.761 nan 8.270 nan 0.000 0.717 676 G N 0.329 109.141 108.800 0.021 0.000 2.502 676 G HA2 0.516 4.487 3.960 0.018 0.000 0.305 676 G HA3 0.516 4.487 3.960 0.018 0.000 0.305 676 G C -0.256 174.673 174.900 0.048 0.000 1.190 676 G CA -0.547 44.575 45.100 0.037 0.000 0.933 676 G HN -0.020 nan 8.290 nan 0.000 0.503 677 K N -0.619 119.811 120.400 0.050 0.000 2.281 677 K HA 0.526 4.856 4.320 0.018 0.000 0.242 677 K C -0.733 175.907 176.600 0.066 0.000 0.971 677 K CA -0.610 55.712 56.287 0.058 0.000 0.834 677 K CB 2.305 34.833 32.500 0.045 0.000 1.181 677 K HN 0.623 nan 8.250 nan 0.000 0.435 678 Q N 2.039 121.885 119.800 0.077 0.000 2.353 678 Q HA 0.382 4.733 4.340 0.018 0.000 0.275 678 Q C -1.824 174.220 176.000 0.074 0.000 1.029 678 Q CA -0.639 55.209 55.803 0.075 0.000 0.848 678 Q CB 1.444 30.230 28.738 0.080 0.000 1.390 678 Q HN 0.510 nan 8.270 nan 0.000 0.401 679 L N 4.207 125.463 121.223 0.054 0.000 2.322 679 L HA 0.639 4.990 4.340 0.018 0.000 0.279 679 L C -0.500 176.384 176.870 0.023 0.000 1.036 679 L CA -0.874 53.987 54.840 0.034 0.000 0.807 679 L CB 1.402 43.471 42.059 0.016 0.000 1.226 679 L HN 0.639 nan 8.230 nan 0.000 0.433 680 I N 2.383 122.950 120.570 -0.005 0.000 2.534 680 I HA 0.229 4.410 4.170 0.018 0.000 0.286 680 I C -0.553 175.502 176.117 -0.103 0.000 1.094 680 I CA -0.360 60.919 61.300 -0.036 0.000 1.055 680 I CB 2.348 40.334 38.000 -0.022 0.000 1.225 680 I HN 0.599 nan 8.210 nan 0.000 0.435 681 E N 6.819 126.960 120.200 -0.097 0.000 2.109 681 E HA 0.408 4.769 4.350 0.018 0.000 0.278 681 E C -0.831 175.655 176.600 -0.190 0.000 0.954 681 E CA -0.707 55.615 56.400 -0.131 0.000 0.779 681 E CB 1.509 31.157 29.700 -0.088 0.000 1.093 681 E HN 0.503 nan 8.360 nan 0.000 0.401 682 L N 6.458 127.511 121.223 -0.284 0.000 2.462 682 L HA 0.160 4.511 4.340 0.018 0.000 0.272 682 L C -2.018 174.702 176.870 -0.250 0.000 1.166 682 L CA -1.682 52.905 54.840 -0.422 0.000 0.880 682 L CB 0.291 42.030 42.059 -0.534 0.000 1.142 682 L HN 0.271 nan 8.230 nan 0.000 0.473 683 P HA -0.033 nan 4.420 nan 0.000 0.271 683 P C -0.275 176.989 177.300 -0.059 0.000 1.216 683 P CA -0.282 62.784 63.100 -0.057 0.000 0.771 683 P CB 0.385 32.117 31.700 0.055 0.000 0.864 684 E N 3.430 123.606 120.200 -0.040 0.000 3.379 684 E HA -0.155 4.205 4.350 0.018 0.000 0.257 684 E C -0.354 176.238 176.600 -0.013 0.000 0.882 684 E CA 0.441 56.822 56.400 -0.032 0.000 0.962 684 E CB 0.073 29.764 29.700 -0.015 0.000 0.900 684 E HN 0.311 nan 8.360 nan 0.000 0.560 685 L N 6.173 127.378 121.223 -0.030 0.000 2.474 685 L HA 0.281 4.632 4.340 0.018 0.000 0.259 685 L C -1.618 175.261 176.870 0.015 0.000 1.232 685 L CA -1.540 53.298 54.840 -0.003 0.000 0.821 685 L CB -0.242 41.802 42.059 -0.025 0.000 1.108 685 L HN 0.555 nan 8.230 nan 0.000 0.495 686 P HA 0.269 nan 4.420 nan 0.000 0.283 686 P C -1.951 175.361 177.300 0.019 0.000 1.271 686 P CA -0.694 62.424 63.100 0.031 0.000 0.841 686 P CB 1.331 33.058 31.700 0.046 0.000 1.122 687 Q N 0.917 120.726 119.800 0.015 0.000 2.275 687 Q HA 0.552 4.903 4.340 0.018 0.000 0.258 687 Q C -2.657 173.351 176.000 0.012 0.000 0.960 687 Q CA -1.528 54.281 55.803 0.009 0.000 0.801 687 Q CB 1.735 30.473 28.738 0.000 0.000 1.302 687 Q HN 0.372 nan 8.270 nan 0.000 0.433 688 P HA 0.374 nan 4.420 nan 0.000 0.298 688 P C 0.139 177.448 177.300 0.014 0.000 1.341 688 P CA -0.632 62.478 63.100 0.017 0.000 0.988 688 P CB 1.957 33.671 31.700 0.023 0.000 1.265 689 E N -0.075 120.133 120.200 0.014 0.000 2.112 689 E HA -0.005 4.356 4.350 0.018 0.000 0.190 689 E C 0.175 176.785 176.600 0.017 0.000 0.979 689 E CA 0.605 57.013 56.400 0.013 0.000 0.814 689 E CB -0.584 29.123 29.700 0.011 0.000 0.762 689 E HN 0.490 nan 8.360 nan 0.000 0.460 690 S N 2.011 117.723 115.700 0.020 0.000 2.952 690 S HA 0.046 4.527 4.470 0.018 0.000 0.351 690 S C 0.501 175.119 174.600 0.030 0.000 1.211 690 S CA 0.205 58.420 58.200 0.025 0.000 1.002 690 S CB 0.150 63.365 63.200 0.026 0.000 0.702 690 S HN 0.391 nan 8.310 nan 0.000 0.495 691 A N 3.151 125.991 122.820 0.033 0.000 2.455 691 A HA 0.641 4.971 4.320 0.018 0.000 0.244 691 A C 1.171 178.787 177.584 0.053 0.000 1.099 691 A CA 0.344 52.404 52.037 0.039 0.000 0.786 691 A CB -0.647 18.377 19.000 0.041 0.000 1.051 691 A HN 2.332 nan 8.150 nan 0.000 0.508 692 G N -1.076 107.760 108.800 0.060 0.000 2.408 692 G HA2 0.215 4.186 3.960 0.018 0.000 0.682 692 G HA3 0.215 4.186 3.960 0.018 0.000 0.682 692 G C -0.854 174.093 174.900 0.078 0.000 1.303 692 G CA -0.221 44.933 45.100 0.090 0.000 0.966 692 G HN 0.947 nan 8.290 nan 0.000 0.560 693 Q N -0.909 118.966 119.800 0.125 0.000 2.293 693 Q HA 0.654 5.005 4.340 0.018 0.000 0.261 693 Q C -0.560 175.511 176.000 0.118 0.000 0.960 693 Q CA -0.860 54.987 55.803 0.072 0.000 0.882 693 Q CB 1.974 30.793 28.738 0.136 0.000 1.275 693 Q HN 0.655 nan 8.270 nan 0.000 0.445 694 L N 3.466 124.663 121.223 -0.043 0.000 2.292 694 L HA 0.472 4.823 4.340 0.018 0.000 0.284 694 L C -1.780 175.027 176.870 -0.105 0.000 1.065 694 L CA 0.187 55.037 54.840 0.017 0.000 0.806 694 L CB 0.578 42.645 42.059 0.014 0.000 1.175 694 L HN 0.606 nan 8.230 nan 0.000 0.431 695 W N 5.875 127.225 121.300 0.083 0.000 2.683 695 W HA 0.528 5.199 4.660 0.018 0.000 0.329 695 W C -1.142 175.460 176.519 0.138 0.000 1.037 695 W CA -0.672 56.743 57.345 0.118 0.000 1.232 695 W CB 1.850 31.404 29.460 0.155 0.000 1.390 695 W HN 0.296 nan 8.180 nan 0.000 0.465 696 L N 3.906 125.393 121.223 0.440 0.000 2.295 696 L HA 0.798 5.149 4.340 0.018 0.000 0.285 696 L C -0.336 176.812 176.870 0.464 0.000 1.035 696 L CA 0.256 55.325 54.840 0.382 0.000 0.806 696 L CB 1.421 43.644 42.059 0.274 0.000 1.214 696 L HN 0.298 nan 8.230 nan 0.000 0.426 697 T N 4.735 119.496 114.554 0.345 0.000 2.893 697 T HA 0.709 5.070 4.350 0.018 0.000 0.293 697 T C -0.991 173.837 174.700 0.214 0.000 1.027 697 T CA -0.309 61.949 62.100 0.265 0.000 0.988 697 T CB 1.786 70.750 68.868 0.160 0.000 1.043 697 T HN 0.702 nan 8.240 nan 0.000 0.461 698 V N 1.300 121.310 119.914 0.159 0.000 3.040 698 V HA 0.917 5.048 4.120 0.018 0.000 0.312 698 V C -1.423 174.736 176.094 0.108 0.000 1.115 698 V CA -1.154 61.209 62.300 0.105 0.000 0.998 698 V CB 2.268 34.100 31.823 0.016 0.000 1.042 698 V HN 0.888 nan 8.190 nan 0.000 0.433 699 R N 1.701 122.283 120.500 0.137 0.000 2.668 699 R HA 0.769 5.119 4.340 0.018 0.000 0.272 699 R C -1.789 174.638 176.300 0.212 0.000 1.019 699 R CA -0.743 55.489 56.100 0.219 0.000 0.894 699 R CB 2.615 33.021 30.300 0.177 0.000 1.228 699 R HN 0.642 nan 8.270 nan 0.000 0.460 700 V N 3.150 123.230 119.914 0.276 0.000 2.370 700 V HA 0.396 4.527 4.120 0.018 0.000 0.279 700 V C -0.454 175.754 176.094 0.191 0.000 1.029 700 V CA -0.528 61.905 62.300 0.222 0.000 0.870 700 V CB 1.736 33.706 31.823 0.246 0.000 0.984 700 V HN 0.445 nan 8.190 nan 0.000 0.451 701 V N 5.222 125.214 119.914 0.130 0.000 2.628 701 V HA 0.402 4.533 4.120 0.018 0.000 0.306 701 V C -0.161 175.995 176.094 0.104 0.000 1.045 701 V CA -0.762 61.600 62.300 0.104 0.000 0.905 701 V CB 2.005 33.862 31.823 0.057 0.000 0.997 701 V HN 0.855 nan 8.190 nan 0.000 0.436 702 Q N 5.087 124.958 119.800 0.118 0.000 2.566 702 Q HA 0.219 4.570 4.340 0.018 0.000 0.221 702 Q C -1.625 174.404 176.000 0.049 0.000 1.195 702 Q CA -1.759 54.106 55.803 0.104 0.000 0.967 702 Q CB 1.342 30.165 28.738 0.140 0.000 1.337 702 Q HN 0.535 nan 8.270 nan 0.000 0.553 703 P HA -0.222 nan 4.420 nan 0.000 0.214 703 P C -0.477 176.821 177.300 -0.003 0.000 1.163 703 P CA 1.397 64.503 63.100 0.010 0.000 0.889 703 P CB 0.268 31.973 31.700 0.008 0.000 0.790 704 N N -0.836 117.859 118.700 -0.009 0.000 2.508 704 N HA 0.435 5.186 4.740 0.018 0.000 0.285 704 N C -0.387 175.084 175.510 -0.064 0.000 1.144 704 N CA -0.645 52.388 53.050 -0.028 0.000 0.978 704 N CB 0.594 39.067 38.487 -0.023 0.000 1.180 704 N HN 0.015 nan 8.380 nan 0.000 0.484 705 A N 0.466 123.241 122.820 -0.075 0.000 2.388 705 A HA 0.451 4.782 4.320 0.018 0.000 0.257 705 A C 0.618 178.107 177.584 -0.157 0.000 1.095 705 A CA -0.304 51.659 52.037 -0.124 0.000 0.791 705 A CB -0.088 18.859 19.000 -0.087 0.000 1.029 705 A HN 0.714 nan 8.150 nan 0.000 0.489 706 T N -1.516 112.865 114.554 -0.288 0.000 2.819 706 T HA 0.627 4.988 4.350 0.018 0.000 0.271 706 T C 1.211 175.763 174.700 -0.247 0.000 0.986 706 T CA 0.085 62.005 62.100 -0.300 0.000 0.989 706 T CB 0.971 69.488 68.868 -0.585 0.000 1.396 706 T HN 1.131 nan 8.240 nan 0.000 0.597 707 A N -0.246 122.493 122.820 -0.134 0.000 2.014 707 A HA 0.127 4.458 4.320 0.018 0.000 0.218 707 A C 1.760 179.412 177.584 0.115 0.000 1.163 707 A CA 0.916 52.999 52.037 0.077 0.000 0.652 707 A CB -0.793 18.373 19.000 0.278 0.000 0.808 707 A HN 0.922 nan 8.150 nan 0.000 0.449 708 W N -0.345 120.986 121.300 0.052 0.000 2.862 708 W HA 0.424 5.095 4.660 0.019 0.000 0.376 708 W C -0.241 176.225 176.519 -0.088 0.000 1.028 708 W CA 0.421 57.746 57.345 -0.034 0.000 1.757 708 W CB -1.042 28.391 29.460 -0.045 0.000 1.128 708 W HN 0.379 nan 8.180 nan 0.000 0.566 709 S N 0.260 115.586 115.700 -0.623 0.000 2.540 709 S HA 0.394 4.875 4.470 0.018 0.000 0.275 709 S C -0.441 173.953 174.600 -0.344 0.000 1.123 709 S CA -0.612 57.217 58.200 -0.618 0.000 0.907 709 S CB 2.807 65.276 63.200 -1.217 0.000 1.081 709 S HN -0.033 nan 8.310 nan 0.000 0.476 710 E N 1.077 121.175 120.200 -0.170 0.000 2.391 710 E HA 0.486 4.847 4.350 0.018 0.000 0.255 710 E C 0.482 177.045 176.600 -0.063 0.000 1.187 710 E CA -0.178 56.179 56.400 -0.071 0.000 0.941 710 E CB 0.897 30.600 29.700 0.005 0.000 1.010 710 E HN 0.911 nan 8.360 nan 0.000 0.458 711 A N -0.246 122.551 122.820 -0.038 0.000 2.425 711 A HA 0.457 4.788 4.320 0.018 0.000 0.249 711 A C 0.969 178.561 177.584 0.014 0.000 1.084 711 A CA 0.579 52.602 52.037 -0.023 0.000 0.781 711 A CB -0.064 18.923 19.000 -0.022 0.000 1.019 711 A HN 0.704 nan 8.150 nan 0.000 0.490 712 G N 0.611 109.429 108.800 0.031 0.000 2.132 712 G HA2 -0.201 3.769 3.960 0.018 0.000 0.228 712 G HA3 -0.201 3.769 3.960 0.018 0.000 0.228 712 G C 0.031 174.976 174.900 0.075 0.000 1.000 712 G CA 0.530 45.653 45.100 0.039 0.000 0.693 712 G HN 1.631 nan 8.290 nan 0.000 0.515 713 H N 0.187 119.268 119.070 0.018 0.000 2.683 713 H HA 0.579 5.146 4.556 0.018 0.000 0.339 713 H C 0.778 176.182 175.328 0.127 0.000 1.081 713 H CA -0.462 55.623 56.048 0.062 0.000 1.432 713 H CB 0.362 30.140 29.762 0.026 0.000 1.462 713 H HN 0.249 nan 8.280 nan 0.000 0.557 714 I N 4.676 124.953 120.570 -0.488 0.000 2.337 714 I HA 0.014 4.195 4.170 0.018 0.000 0.291 714 I C 0.899 176.837 176.117 -0.298 0.000 1.046 714 I CA 0.051 61.209 61.300 -0.235 0.000 1.324 714 I CB 1.262 39.207 38.000 -0.092 0.000 1.409 714 I HN 0.757 nan 8.210 nan 0.000 0.494 715 S N 4.536 120.303 115.700 0.111 0.000 2.556 715 S HA 0.591 5.071 4.470 0.018 0.000 0.216 715 S C 0.432 175.279 174.600 0.412 0.000 0.970 715 S CA 0.089 58.505 58.200 0.360 0.000 0.912 715 S CB 0.368 63.922 63.200 0.590 0.000 0.790 715 S HN 0.807 nan 8.310 nan 0.000 0.504 716 A N 0.199 123.304 122.820 0.475 0.000 2.517 716 A HA 0.552 4.883 4.320 0.018 0.000 0.296 716 A C -1.834 176.128 177.584 0.630 0.000 0.983 716 A CA -0.593 51.715 52.037 0.452 0.000 0.634 716 A CB -0.306 18.998 19.000 0.508 0.000 1.341 716 A HN 1.269 nan 8.150 nan 0.000 0.438 717 W N -0.711 120.759 121.300 0.284 0.000 3.064 717 W HA 0.744 5.416 4.660 0.019 0.000 0.328 717 W C -1.470 175.112 176.519 0.104 0.000 1.210 717 W CA -0.286 57.123 57.345 0.106 0.000 1.178 717 W CB 0.724 30.171 29.460 -0.021 0.000 1.416 717 W HN 1.257 nan 8.180 nan 0.000 0.568 718 Q N 1.713 121.529 119.800 0.026 0.000 2.522 718 Q HA 0.484 4.835 4.340 0.018 0.000 0.285 718 Q C -1.758 174.038 176.000 -0.341 0.000 0.982 718 Q CA -0.656 55.003 55.803 -0.241 0.000 0.805 718 Q CB 2.507 30.974 28.738 -0.453 0.000 1.457 718 Q HN 0.638 nan 8.270 nan 0.000 0.394 719 Q N 2.432 121.970 119.800 -0.437 0.000 2.353 719 Q HA 0.474 4.825 4.340 0.018 0.000 0.275 719 Q C -1.552 174.426 176.000 -0.036 0.000 1.029 719 Q CA -0.492 55.240 55.803 -0.120 0.000 0.848 719 Q CB 1.376 30.239 28.738 0.207 0.000 1.390 719 Q HN 0.692 nan 8.270 nan 0.000 0.401 720 W N 2.506 123.991 121.300 0.309 0.000 2.882 720 W HA 0.520 5.191 4.660 0.018 0.000 0.345 720 W C -0.186 176.304 176.519 -0.048 0.000 1.125 720 W CA -0.800 56.636 57.345 0.152 0.000 1.167 720 W CB 1.928 31.418 29.460 0.050 0.000 1.431 720 W HN 0.672 nan 8.180 nan 0.000 0.543 721 R N 1.818 122.119 120.500 -0.333 0.000 2.255 721 R HA 0.391 4.742 4.340 0.018 0.000 0.326 721 R C 0.177 176.199 176.300 -0.463 0.000 0.986 721 R CA -0.271 55.203 56.100 -1.043 0.000 0.847 721 R CB 0.870 30.094 30.300 -1.794 0.000 1.111 721 R HN 0.635 nan 8.270 nan 0.000 0.452 722 L N 2.971 123.983 121.223 -0.352 0.000 2.202 722 L HA 0.342 4.693 4.340 0.018 0.000 0.205 722 L C 0.724 177.479 176.870 -0.192 0.000 1.083 722 L CA 0.853 55.575 54.840 -0.197 0.000 0.790 722 L CB 0.059 42.052 42.059 -0.109 0.000 0.942 722 L HN 0.795 nan 8.230 nan 0.000 0.452 723 A N -0.726 121.960 122.820 -0.224 0.000 2.564 723 A HA 0.641 4.972 4.320 0.018 0.000 0.291 723 A C -1.491 176.007 177.584 -0.143 0.000 1.102 723 A CA -0.447 51.500 52.037 -0.151 0.000 0.660 723 A CB 1.617 20.563 19.000 -0.090 0.000 1.283 723 A HN -0.015 nan 8.150 nan 0.000 0.430 724 E N 0.653 120.799 120.200 -0.090 0.000 2.307 724 E HA 0.341 4.702 4.350 0.018 0.000 0.280 724 E C -1.839 174.744 176.600 -0.028 0.000 0.900 724 E CA -0.537 55.827 56.400 -0.060 0.000 0.790 724 E CB 1.249 30.907 29.700 -0.071 0.000 1.261 724 E HN 0.580 nan 8.360 nan 0.000 0.405 725 N N 5.060 123.755 118.700 -0.008 0.000 2.479 725 N HA 0.316 5.067 4.740 0.018 0.000 0.261 725 N C -0.460 175.059 175.510 0.014 0.000 0.979 725 N CA -0.302 52.750 53.050 0.003 0.000 0.930 725 N CB 1.166 39.658 38.487 0.008 0.000 1.172 725 N HN 0.463 nan 8.380 nan 0.000 0.499 726 L N 0.570 121.801 121.223 0.013 0.000 2.464 726 L HA 0.180 4.531 4.340 0.018 0.000 0.264 726 L C 1.244 178.131 176.870 0.027 0.000 1.199 726 L CA -0.040 54.813 54.840 0.022 0.000 0.818 726 L CB 0.469 42.539 42.059 0.020 0.000 1.102 726 L HN 0.318 nan 8.230 nan 0.000 0.473 727 S N 0.267 115.988 115.700 0.035 0.000 2.399 727 S HA 0.270 4.751 4.470 0.018 0.000 0.301 727 S C 0.846 175.465 174.600 0.032 0.000 1.093 727 S CA -0.879 57.342 58.200 0.035 0.000 1.077 727 S CB 0.832 64.057 63.200 0.041 0.000 0.980 727 S HN 0.407 nan 8.310 nan 0.000 0.494 728 V N 3.657 123.587 119.914 0.026 0.000 2.535 728 V HA 0.007 4.138 4.120 0.018 0.000 0.246 728 V C 1.755 177.864 176.094 0.025 0.000 1.045 728 V CA 1.057 63.372 62.300 0.024 0.000 1.058 728 V CB -1.608 30.226 31.823 0.019 0.000 0.689 728 V HN 0.943 nan 8.190 nan 0.000 0.461 729 T N 2.479 117.048 114.554 0.025 0.000 2.933 729 T HA 0.235 4.596 4.350 0.018 0.000 0.306 729 T C -0.340 174.376 174.700 0.028 0.000 1.045 729 T CA -0.302 61.813 62.100 0.026 0.000 1.143 729 T CB -0.051 68.832 68.868 0.025 0.000 1.003 729 T HN 0.171 nan 8.240 nan 0.000 0.540 730 L N 3.716 124.954 121.223 0.026 0.000 2.416 730 L HA 0.726 5.077 4.340 0.018 0.000 0.262 730 L C -1.862 175.024 176.870 0.027 0.000 1.093 730 L CA -2.316 52.539 54.840 0.026 0.000 0.801 730 L CB -1.070 41.003 42.059 0.024 0.000 1.191 730 L HN 0.475 nan 8.230 nan 0.000 0.459 731 P HA 0.454 nan 4.420 nan 0.000 0.276 731 P C -1.189 176.128 177.300 0.029 0.000 1.252 731 P CA -0.635 62.479 63.100 0.024 0.000 0.802 731 P CB 0.727 32.437 31.700 0.017 0.000 1.035 732 A N 1.374 124.214 122.820 0.032 0.000 2.415 732 A HA 0.494 4.824 4.320 0.018 0.000 0.309 732 A C 0.709 178.335 177.584 0.071 0.000 1.356 732 A CA -0.304 51.771 52.037 0.062 0.000 0.998 732 A CB -1.046 18.009 19.000 0.092 0.000 1.145 732 A HN 0.632 nan 8.150 nan 0.000 0.545 733 A N 4.053 126.919 122.820 0.076 0.000 2.415 733 A HA 0.235 4.566 4.320 0.018 0.000 0.298 733 A C 1.051 178.712 177.584 0.129 0.000 1.070 733 A CA 0.853 52.937 52.037 0.078 0.000 1.116 733 A CB -1.549 17.488 19.000 0.063 0.000 0.849 733 A HN 1.782 nan 8.150 nan 0.000 0.478 734 S N 2.158 117.891 115.700 0.055 0.000 4.002 734 S HA -0.203 4.278 4.470 0.018 0.000 0.478 734 S C 0.880 175.577 174.600 0.162 0.000 1.092 734 S CA 1.195 59.411 58.200 0.026 0.000 0.838 734 S CB -0.421 62.778 63.200 -0.001 0.000 0.749 734 S HN 0.826 nan 8.310 nan 0.000 0.453 735 H N 1.423 120.497 119.070 0.007 0.000 2.403 735 H HA 0.194 4.761 4.556 0.018 0.000 0.298 735 H C 1.470 176.805 175.328 0.011 0.000 1.059 735 H CA 0.550 56.604 56.048 0.010 0.000 1.363 735 H CB 0.157 29.926 29.762 0.012 0.000 1.410 735 H HN 0.722 nan 8.280 nan 0.000 0.528 736 A N 1.261 124.146 122.820 0.109 0.000 2.517 736 A HA 0.623 4.954 4.320 0.018 0.000 0.280 736 A C -0.230 177.352 177.584 -0.003 0.000 1.353 736 A CA -0.369 51.697 52.037 0.048 0.000 0.907 736 A CB 0.609 19.621 19.000 0.020 0.000 1.495 736 A HN 0.338 nan 8.150 nan 0.000 0.506 737 I N -2.621 117.901 120.570 -0.080 0.000 2.908 737 I HA 0.598 4.779 4.170 0.018 0.000 0.300 737 I C -3.136 172.732 176.117 -0.415 0.000 1.385 737 I CA -2.006 59.198 61.300 -0.160 0.000 1.004 737 I CB 2.655 40.610 38.000 -0.074 0.000 1.309 737 I HN 0.288 nan 8.210 nan 0.000 0.449 738 P HA 0.380 nan 4.420 nan 0.000 0.286 738 P C -1.649 175.493 177.300 -0.263 0.000 1.269 738 P CA 0.170 63.096 63.100 -0.291 0.000 0.787 738 P CB 0.376 31.977 31.700 -0.165 0.000 0.920 739 H N 1.421 120.525 119.070 0.057 0.000 2.458 739 H HA 0.522 5.089 4.556 0.018 0.000 0.330 739 H C -0.401 174.965 175.328 0.063 0.000 1.111 739 H CA -0.964 55.113 56.048 0.048 0.000 1.245 739 H CB 1.331 31.121 29.762 0.046 0.000 1.456 739 H HN 0.260 nan 8.280 nan 0.000 0.488 740 L N 2.753 124.080 121.223 0.174 0.000 2.325 740 L HA 0.373 4.724 4.340 0.018 0.000 0.281 740 L C -0.620 176.329 176.870 0.132 0.000 1.004 740 L CA -0.146 54.771 54.840 0.128 0.000 0.823 740 L CB 1.503 43.592 42.059 0.049 0.000 1.236 740 L HN 0.584 nan 8.230 nan 0.000 0.415 741 T N 3.126 117.774 114.554 0.155 0.000 2.733 741 T HA 0.327 4.688 4.350 0.018 0.000 0.294 741 T C 0.055 174.872 174.700 0.195 0.000 0.956 741 T CA -0.241 61.942 62.100 0.138 0.000 0.987 741 T CB 0.535 69.467 68.868 0.106 0.000 0.920 741 T HN 0.663 nan 8.240 nan 0.000 0.470 742 T N 2.828 117.486 114.554 0.174 0.000 3.477 742 T HA 0.276 4.636 4.350 0.018 0.000 0.347 742 T C 0.872 175.632 174.700 0.100 0.000 1.567 742 T CA -0.525 61.708 62.100 0.221 0.000 1.169 742 T CB 0.066 69.069 68.868 0.225 0.000 1.196 742 T HN 0.607 nan 8.240 nan 0.000 0.768 743 S N 1.802 117.538 115.700 0.060 0.000 2.617 743 S HA 0.038 4.519 4.470 0.018 0.000 0.255 743 S C 1.605 176.168 174.600 -0.062 0.000 1.318 743 S CA -0.120 58.080 58.200 -0.000 0.000 0.978 743 S CB 0.773 63.973 63.200 -0.001 0.000 0.961 743 S HN 0.717 nan 8.310 nan 0.000 0.582 744 E N 0.629 120.791 120.200 -0.064 0.000 2.318 744 E HA 0.082 4.442 4.350 0.018 0.000 0.193 744 E C 1.535 178.051 176.600 -0.140 0.000 0.998 744 E CA 0.514 56.858 56.400 -0.094 0.000 0.859 744 E CB -0.277 29.390 29.700 -0.055 0.000 0.812 744 E HN 0.510 nan 8.360 nan 0.000 0.492 745 M N 0.844 120.376 119.600 -0.112 0.000 2.447 745 M HA 0.230 4.721 4.480 0.018 0.000 0.266 745 M C -0.429 175.788 176.300 -0.139 0.000 1.120 745 M CA 0.665 55.903 55.300 -0.104 0.000 1.166 745 M CB 0.346 32.918 32.600 -0.046 0.000 1.349 745 M HN -0.017 nan 8.290 nan 0.000 0.463 746 D N -1.773 118.551 120.400 -0.127 0.000 2.553 746 D HA 0.350 5.001 4.640 0.018 0.000 0.249 746 D C -1.269 174.953 176.300 -0.131 0.000 1.062 746 D CA -0.301 53.650 54.000 -0.082 0.000 1.085 746 D CB 1.462 42.296 40.800 0.057 0.000 1.350 746 D HN 0.050 nan 8.370 nan 0.000 0.575 747 F N 0.642 120.678 119.950 0.144 0.000 2.612 747 F HA 0.288 4.826 4.527 0.018 0.000 0.332 747 F C -0.420 175.502 175.800 0.204 0.000 1.167 747 F CA -0.810 57.278 58.000 0.147 0.000 0.970 747 F CB 1.499 40.589 39.000 0.150 0.000 1.234 747 F HN 0.105 nan 8.300 nan 0.000 0.453 748 C N 4.202 123.717 119.300 0.358 0.000 2.435 748 C HA 0.790 5.261 4.460 0.018 0.000 0.333 748 C C -0.450 174.706 174.990 0.277 0.000 1.202 748 C CA -0.691 58.502 59.018 0.292 0.000 1.830 748 C CB 1.285 29.132 27.740 0.177 0.000 2.326 748 C HN 0.523 nan 8.230 nan 0.000 0.507 749 I N 3.265 124.036 120.570 0.334 0.000 2.569 749 I HA 0.518 4.699 4.170 0.018 0.000 0.290 749 I C -0.607 175.770 176.117 0.433 0.000 1.088 749 I CA -0.133 61.371 61.300 0.340 0.000 1.047 749 I CB 1.864 40.037 38.000 0.288 0.000 1.237 749 I HN 0.663 nan 8.210 nan 0.000 0.421 750 E N 6.961 127.350 120.200 0.315 0.000 2.367 750 E HA 0.810 5.171 4.350 0.018 0.000 0.273 750 E C -1.265 175.454 176.600 0.199 0.000 0.903 750 E CA -1.075 55.493 56.400 0.279 0.000 0.764 750 E CB 2.751 32.537 29.700 0.143 0.000 1.252 750 E HN 0.596 nan 8.360 nan 0.000 0.446 751 L N 0.444 121.788 121.223 0.201 0.000 2.949 751 L HA 0.511 4.862 4.340 0.018 0.000 0.258 751 L C 0.177 177.111 176.870 0.106 0.000 0.941 751 L CA 0.661 55.556 54.840 0.092 0.000 1.053 751 L CB 0.654 42.746 42.059 0.055 0.000 1.550 751 L HN 0.986 nan 8.230 nan 0.000 0.493 752 G N 4.485 113.329 108.800 0.074 0.000 2.556 752 G HA2 -0.400 3.571 3.960 0.018 0.000 0.283 752 G HA3 -0.400 3.571 3.960 0.018 0.000 0.283 752 G C 0.579 175.487 174.900 0.014 0.000 1.177 752 G CA 0.592 45.718 45.100 0.044 0.000 0.978 752 G HN 1.306 nan 8.290 nan 0.000 0.554 753 N N 1.183 119.873 118.700 -0.015 0.000 2.457 753 N HA 0.007 4.758 4.740 0.018 0.000 0.180 753 N C 0.649 176.103 175.510 -0.094 0.000 1.050 753 N CA 1.296 54.317 53.050 -0.048 0.000 0.906 753 N CB -0.033 38.427 38.487 -0.046 0.000 0.968 753 N HN 0.755 nan 8.380 nan 0.000 0.445 754 K N 0.575 120.899 120.400 -0.127 0.000 2.234 754 K HA 0.327 4.658 4.320 0.018 0.000 0.282 754 K C -0.246 176.136 176.600 -0.364 0.000 1.039 754 K CA -0.427 55.653 56.287 -0.346 0.000 0.928 754 K CB 1.732 33.927 32.500 -0.507 0.000 1.039 754 K HN 0.036 nan 8.250 nan 0.000 0.470 755 R N 2.639 122.861 120.500 -0.465 0.000 2.651 755 R HA 0.350 4.701 4.340 0.018 0.000 0.278 755 R C -1.622 174.582 176.300 -0.159 0.000 1.010 755 R CA -0.644 55.354 56.100 -0.170 0.000 0.896 755 R CB 1.341 31.560 30.300 -0.134 0.000 1.211 755 R HN 0.627 nan 8.270 nan 0.000 0.456 756 W N 3.587 124.992 121.300 0.175 0.000 2.619 756 W HA 0.304 4.975 4.660 0.018 0.000 0.327 756 W C -0.570 175.989 176.519 0.067 0.000 1.027 756 W CA -0.623 56.759 57.345 0.061 0.000 1.233 756 W CB 2.092 31.559 29.460 0.012 0.000 1.370 756 W HN 0.397 nan 8.180 nan 0.000 0.453 757 Q N 3.049 122.942 119.800 0.154 0.000 2.400 757 Q HA 0.299 4.650 4.340 0.018 0.000 0.255 757 Q C -1.406 174.522 176.000 -0.120 0.000 1.008 757 Q CA -0.495 55.382 55.803 0.124 0.000 0.841 757 Q CB 0.741 29.610 28.738 0.218 0.000 1.220 757 Q HN 0.310 nan 8.270 nan 0.000 0.474 758 F N 3.089 123.156 119.950 0.195 0.000 2.391 758 F HA 0.218 4.756 4.527 0.018 0.000 0.359 758 F C 0.817 176.679 175.800 0.103 0.000 1.122 758 F CA -0.774 57.312 58.000 0.143 0.000 1.120 758 F CB 0.753 39.846 39.000 0.156 0.000 1.142 758 F HN 0.444 nan 8.300 nan 0.000 0.483 759 N N 3.499 122.320 118.700 0.201 0.000 2.497 759 N HA 0.071 4.822 4.740 0.018 0.000 0.268 759 N C 0.903 176.443 175.510 0.050 0.000 1.171 759 N CA 0.057 53.164 53.050 0.094 0.000 0.948 759 N CB 0.762 39.291 38.487 0.070 0.000 1.069 759 N HN 0.640 nan 8.380 nan 0.000 0.460 760 R N 2.130 122.583 120.500 -0.078 0.000 2.276 760 R HA -0.073 4.278 4.340 0.018 0.000 0.203 760 R C 0.857 177.093 176.300 -0.107 0.000 1.017 760 R CA 1.014 57.019 56.100 -0.159 0.000 1.010 760 R CB 0.257 30.338 30.300 -0.365 0.000 0.900 760 R HN 0.692 nan 8.270 nan 0.000 0.469 761 Q N -0.774 118.977 119.800 -0.082 0.000 2.396 761 Q HA 0.043 4.394 4.340 0.018 0.000 0.220 761 Q C 1.771 177.698 176.000 -0.121 0.000 0.900 761 Q CA 0.967 56.716 55.803 -0.090 0.000 0.925 761 Q CB 0.276 28.975 28.738 -0.065 0.000 1.065 761 Q HN 0.129 nan 8.270 nan 0.000 0.535 762 S N -0.237 115.395 115.700 -0.114 0.000 2.503 762 S HA 0.291 4.772 4.470 0.018 0.000 0.217 762 S C 1.756 176.102 174.600 -0.424 0.000 0.999 762 S CA 0.374 58.440 58.200 -0.223 0.000 0.914 762 S CB 0.010 63.154 63.200 -0.094 0.000 0.782 762 S HN 0.600 nan 8.310 nan 0.000 0.520 763 G N 0.516 109.218 108.800 -0.163 0.000 2.189 763 G HA2 -0.271 3.700 3.960 0.018 0.000 0.267 763 G HA3 -0.271 3.700 3.960 0.018 0.000 0.267 763 G C 0.053 175.028 174.900 0.124 0.000 0.975 763 G CA 0.609 45.715 45.100 0.010 0.000 0.644 763 G HN 0.579 nan 8.290 nan 0.000 0.537 764 F N -1.153 118.973 119.950 0.294 0.000 2.364 764 F HA 0.676 5.214 4.527 0.018 0.000 0.316 764 F C 0.777 176.692 175.800 0.191 0.000 1.133 764 F CA -1.050 57.101 58.000 0.252 0.000 1.051 764 F CB 0.896 40.005 39.000 0.181 0.000 1.342 764 F HN 0.025 nan 8.300 nan 0.000 0.507 765 L N 0.851 122.252 121.223 0.296 0.000 2.360 765 L HA 0.287 4.637 4.340 0.018 0.000 0.265 765 L C 0.760 177.573 176.870 -0.095 0.000 1.066 765 L CA -0.062 54.632 54.840 -0.243 0.000 0.929 765 L CB 0.283 41.996 42.059 -0.576 0.000 1.306 765 L HN 0.637 nan 8.230 nan 0.000 0.434 766 S N 2.056 117.733 115.700 -0.038 0.000 2.374 766 S HA -0.145 4.336 4.470 0.018 0.000 0.227 766 S C 0.760 175.279 174.600 -0.134 0.000 1.037 766 S CA 1.092 59.279 58.200 -0.021 0.000 1.024 766 S CB -0.370 62.841 63.200 0.019 0.000 0.861 766 S HN 0.714 nan 8.310 nan 0.000 0.456 767 Q N -0.352 119.312 119.800 -0.225 0.000 2.426 767 Q HA 0.657 5.008 4.340 0.018 0.000 0.278 767 Q C -1.543 174.126 176.000 -0.551 0.000 1.007 767 Q CA -0.552 54.984 55.803 -0.445 0.000 0.850 767 Q CB 1.762 30.161 28.738 -0.565 0.000 1.427 767 Q HN 0.425 nan 8.270 nan 0.000 0.391 768 M N 1.676 120.810 119.600 -0.777 0.000 2.386 768 M HA 0.764 5.255 4.480 0.018 0.000 0.293 768 M C -2.007 173.865 176.300 -0.713 0.000 1.120 768 M CA -0.151 54.763 55.300 -0.643 0.000 0.909 768 M CB 1.829 34.059 32.600 -0.615 0.000 1.661 768 M HN 0.495 nan 8.290 nan 0.000 0.452 769 W N 3.748 124.807 121.300 -0.402 0.000 2.689 769 W HA 0.608 5.279 4.660 0.018 0.000 0.340 769 W C -1.380 174.922 176.519 -0.361 0.000 1.060 769 W CA -0.979 56.184 57.345 -0.304 0.000 1.218 769 W CB 1.899 31.227 29.460 -0.220 0.000 1.410 769 W HN 0.477 nan 8.180 nan 0.000 0.528 770 I N 2.485 123.056 120.570 0.002 0.000 2.405 770 I HA 0.398 4.579 4.170 0.018 0.000 0.280 770 I C 0.751 176.862 176.117 -0.010 0.000 1.027 770 I CA 0.585 61.840 61.300 -0.075 0.000 1.161 770 I CB 0.558 38.494 38.000 -0.106 0.000 1.300 770 I HN 0.761 nan 8.210 nan 0.000 0.463 771 G N 5.787 114.573 108.800 -0.023 0.000 2.536 771 G HA2 -0.331 3.640 3.960 0.018 0.000 0.277 771 G HA3 -0.331 3.640 3.960 0.018 0.000 0.277 771 G C 0.535 175.451 174.900 0.025 0.000 1.155 771 G CA 0.531 45.623 45.100 -0.014 0.000 0.960 771 G HN 0.526 nan 8.290 nan 0.000 0.544 772 D N 1.083 121.518 120.400 0.059 0.000 2.388 772 D HA 0.197 4.847 4.640 0.018 0.000 0.208 772 D C 0.868 177.337 176.300 0.283 0.000 1.035 772 D CA 0.788 54.855 54.000 0.113 0.000 0.875 772 D CB -0.100 40.723 40.800 0.038 0.000 0.984 772 D HN 0.699 nan 8.370 nan 0.000 0.508 773 K N 1.075 121.570 120.400 0.159 0.000 2.368 773 K HA 0.333 4.663 4.320 0.018 0.000 0.282 773 K C -0.065 176.488 176.600 -0.078 0.000 1.035 773 K CA -0.264 56.056 56.287 0.056 0.000 0.973 773 K CB 1.060 33.551 32.500 -0.015 0.000 0.957 773 K HN -0.171 nan 8.250 nan 0.000 0.474 774 K N 1.715 121.959 120.400 -0.259 0.000 2.126 774 K HA 0.095 4.425 4.320 0.018 0.000 0.257 774 K C 0.711 177.088 176.600 -0.372 0.000 1.007 774 K CA -0.343 55.575 56.287 -0.615 0.000 0.928 774 K CB 0.780 32.920 32.500 -0.600 0.000 1.013 774 K HN 0.477 nan 8.250 nan 0.000 0.473 775 Q N 0.697 120.251 119.800 -0.410 0.000 2.322 775 Q HA 0.209 4.560 4.340 0.018 0.000 0.250 775 Q C -0.206 175.680 176.000 -0.189 0.000 0.853 775 Q CA 0.287 55.963 55.803 -0.212 0.000 0.951 775 Q CB 0.680 29.329 28.738 -0.148 0.000 1.114 775 Q HN 0.457 nan 8.270 nan 0.000 0.523 776 L N 1.682 122.743 121.223 -0.270 0.000 2.307 776 L HA 0.374 4.724 4.340 0.018 0.000 0.284 776 L C 1.093 177.831 176.870 -0.219 0.000 1.023 776 L CA -0.274 54.434 54.840 -0.219 0.000 0.810 776 L CB 1.339 43.267 42.059 -0.219 0.000 1.231 776 L HN -0.030 nan 8.230 nan 0.000 0.423 777 L N 1.014 122.112 121.223 -0.209 0.000 2.408 777 L HA 0.181 4.532 4.340 0.018 0.000 0.215 777 L C 0.448 177.228 176.870 -0.150 0.000 1.081 777 L CA 0.602 55.330 54.840 -0.187 0.000 0.840 777 L CB 0.105 42.032 42.059 -0.221 0.000 1.002 777 L HN 0.664 nan 8.230 nan 0.000 0.468 778 T N -1.545 112.909 114.554 -0.167 0.000 2.864 778 T HA 0.514 4.875 4.350 0.018 0.000 0.289 778 T C -2.683 171.975 174.700 -0.070 0.000 1.082 778 T CA -1.424 60.623 62.100 -0.089 0.000 1.009 778 T CB 2.236 71.065 68.868 -0.064 0.000 1.234 778 T HN -0.265 nan 8.240 nan 0.000 0.526 779 P HA 0.469 nan 4.420 nan 0.000 0.284 779 P C -1.106 176.173 177.300 -0.034 0.000 1.287 779 P CA -0.833 62.268 63.100 0.003 0.000 0.824 779 P CB 0.500 32.262 31.700 0.104 0.000 1.180 780 L N 2.432 123.653 121.223 -0.004 0.000 2.325 780 L HA 0.301 4.651 4.340 0.018 0.000 0.284 780 L C 0.164 176.880 176.870 -0.257 0.000 1.089 780 L CA 0.303 55.143 54.840 0.000 0.000 0.836 780 L CB -1.253 40.922 42.059 0.194 0.000 1.184 780 L HN 0.378 nan 8.230 nan 0.000 0.444 781 R N 2.431 122.706 120.500 -0.375 0.000 2.707 781 R HA 0.531 4.882 4.340 0.018 0.000 0.272 781 R C -1.074 175.009 176.300 -0.362 0.000 1.011 781 R CA -0.930 54.750 56.100 -0.699 0.000 0.893 781 R CB 0.837 30.288 30.300 -1.415 0.000 1.233 781 R HN 0.335 nan 8.270 nan 0.000 0.464 782 D N 1.578 121.811 120.400 -0.278 0.000 2.506 782 D HA -0.058 4.593 4.640 0.018 0.000 0.234 782 D C -0.631 175.247 176.300 -0.702 0.000 1.143 782 D CA 0.959 54.685 54.000 -0.456 0.000 0.871 782 D CB 1.024 41.602 40.800 -0.369 0.000 1.190 782 D HN 0.419 nan 8.370 nan 0.000 0.459 783 Q N 1.630 120.799 119.800 -1.051 0.000 2.271 783 Q HA 0.287 4.638 4.340 0.018 0.000 0.268 783 Q C -1.068 174.191 176.000 -1.234 0.000 1.021 783 Q CA -0.562 54.690 55.803 -0.919 0.000 0.802 783 Q CB 0.975 29.428 28.738 -0.475 0.000 1.282 783 Q HN 0.394 nan 8.270 nan 0.000 0.431 784 F N 0.727 120.352 119.950 -0.543 0.000 2.729 784 F HA 0.207 4.745 4.527 0.018 0.000 0.315 784 F C 0.729 176.174 175.800 -0.593 0.000 1.102 784 F CA -0.228 57.365 58.000 -0.678 0.000 1.204 784 F CB 1.444 39.779 39.000 -1.109 0.000 1.052 784 F HN 0.494 nan 8.300 nan 0.000 0.551 785 T N -0.522 113.811 114.554 -0.370 0.000 2.905 785 T HA 0.800 5.161 4.350 0.018 0.000 0.283 785 T C -0.568 173.942 174.700 -0.317 0.000 1.031 785 T CA -0.885 60.932 62.100 -0.472 0.000 1.002 785 T CB 2.602 71.122 68.868 -0.579 0.000 1.200 785 T HN 0.278 nan 8.240 nan 0.000 0.560 786 R N -0.320 120.031 120.500 -0.248 0.000 2.579 786 R HA 0.629 4.980 4.340 0.018 0.000 0.260 786 R C -1.160 175.201 176.300 0.103 0.000 1.103 786 R CA -0.914 55.142 56.100 -0.072 0.000 0.942 786 R CB 1.049 31.293 30.300 -0.094 0.000 1.251 786 R HN 0.918 nan 8.270 nan 0.000 0.450 787 A N 4.910 127.780 122.820 0.082 0.000 2.513 787 A HA 0.249 4.580 4.320 0.018 0.000 0.274 787 A C -1.912 175.746 177.584 0.123 0.000 1.115 787 A CA -1.050 51.035 52.037 0.081 0.000 0.792 787 A CB -0.598 18.401 19.000 -0.001 0.000 1.053 787 A HN 0.568 nan 8.150 nan 0.000 0.515 788 P HA 0.026 nan 4.420 nan 0.000 0.255 788 P C -0.230 177.204 177.300 0.223 0.000 1.161 788 P CA 0.609 63.886 63.100 0.295 0.000 0.768 788 P CB -0.097 31.808 31.700 0.342 0.000 0.746 789 L N 2.279 123.591 121.223 0.148 0.000 2.475 789 L HA 0.199 4.550 4.340 0.018 0.000 0.250 789 L C 1.833 178.722 176.870 0.032 0.000 1.224 789 L CA -0.461 54.408 54.840 0.048 0.000 0.821 789 L CB -0.276 41.721 42.059 -0.103 0.000 1.141 789 L HN 0.168 nan 8.230 nan 0.000 0.494 790 D N 0.377 120.727 120.400 -0.083 0.000 2.126 790 D HA -0.185 4.466 4.640 0.018 0.000 0.190 790 D C 1.733 177.971 176.300 -0.105 0.000 1.001 790 D CA 1.681 55.557 54.000 -0.206 0.000 0.841 790 D CB -0.211 40.391 40.800 -0.331 0.000 0.949 790 D HN 0.549 nan 8.370 nan 0.000 0.446 791 N N 1.091 119.748 118.700 -0.073 0.000 2.381 791 N HA -0.110 4.641 4.740 0.018 0.000 0.182 791 N C 1.005 176.551 175.510 0.060 0.000 1.025 791 N CA 0.701 53.747 53.050 -0.007 0.000 0.888 791 N CB -0.185 38.290 38.487 -0.021 0.000 0.965 791 N HN 0.359 nan 8.380 nan 0.000 0.438 792 D N 0.531 120.985 120.400 0.090 0.000 2.269 792 D HA 0.019 4.670 4.640 0.018 0.000 0.208 792 D C 1.867 178.249 176.300 0.137 0.000 0.963 792 D CA 0.402 54.505 54.000 0.172 0.000 0.864 792 D CB 0.266 41.279 40.800 0.355 0.000 0.936 792 D HN 0.328 nan 8.370 nan 0.000 0.505 793 I N 0.269 120.897 120.570 0.096 0.000 2.556 793 I HA 0.079 4.260 4.170 0.018 0.000 0.251 793 I C 1.819 177.978 176.117 0.069 0.000 1.105 793 I CA 0.786 62.128 61.300 0.070 0.000 1.436 793 I CB -0.243 37.766 38.000 0.015 0.000 1.139 793 I HN 0.067 nan 8.210 nan 0.000 0.438 794 G N 0.964 109.818 108.800 0.089 0.000 2.574 794 G HA2 -0.346 3.625 3.960 0.018 0.000 0.286 794 G HA3 -0.346 3.625 3.960 0.018 0.000 0.286 794 G C 0.734 175.825 174.900 0.319 0.000 1.212 794 G CA 0.744 45.966 45.100 0.203 0.000 0.979 794 G HN 0.742 nan 8.290 nan 0.000 0.557 795 V N -1.038 119.019 119.914 0.240 0.000 3.633 795 V HA 0.608 4.739 4.120 0.018 0.000 0.283 795 V C 1.292 177.434 176.094 0.079 0.000 1.305 795 V CA 1.340 63.733 62.300 0.154 0.000 1.153 795 V CB 0.015 31.793 31.823 -0.076 0.000 0.950 795 V HN 1.678 nan 8.190 nan 0.000 0.432 796 S N 1.139 116.880 115.700 0.070 0.000 2.544 796 S HA 0.210 4.691 4.470 0.018 0.000 0.290 796 S C 0.028 174.658 174.600 0.050 0.000 1.276 796 S CA 0.107 58.331 58.200 0.039 0.000 1.075 796 S CB 0.219 63.438 63.200 0.031 0.000 0.849 796 S HN 0.822 nan 8.310 nan 0.000 0.494 797 E N 2.281 122.504 120.200 0.038 0.000 2.334 797 E HA 0.711 5.072 4.350 0.018 0.000 0.256 797 E C 0.774 177.400 176.600 0.043 0.000 0.958 797 E CA -0.188 56.239 56.400 0.046 0.000 0.821 797 E CB 1.053 30.777 29.700 0.039 0.000 1.269 797 E HN 0.593 nan 8.360 nan 0.000 0.413 798 A N -0.371 122.479 122.820 0.050 0.000 1.970 798 A HA -0.081 4.250 4.320 0.018 0.000 0.216 798 A C 1.764 179.371 177.584 0.037 0.000 1.170 798 A CA 1.921 53.987 52.037 0.048 0.000 0.645 798 A CB -0.710 18.323 19.000 0.056 0.000 0.816 798 A HN 0.615 nan 8.150 nan 0.000 0.447 799 T N -1.160 113.414 114.554 0.033 0.000 2.781 799 T HA 0.059 4.420 4.350 0.018 0.000 0.252 799 T C 1.228 175.936 174.700 0.014 0.000 1.039 799 T CA 0.575 62.689 62.100 0.023 0.000 1.147 799 T CB -0.088 68.792 68.868 0.021 0.000 0.865 799 T HN 0.271 nan 8.240 nan 0.000 0.423 800 R N 1.010 121.515 120.500 0.009 0.000 2.522 800 R HA 0.432 4.783 4.340 0.018 0.000 0.290 800 R C -1.202 175.099 176.300 0.002 0.000 1.216 800 R CA -0.471 55.628 56.100 -0.002 0.000 1.250 800 R CB -0.115 30.175 30.300 -0.017 0.000 1.143 800 R HN 0.224 nan 8.270 nan 0.000 0.553 801 I N 1.897 122.470 120.570 0.004 0.000 2.529 801 I HA -0.059 4.122 4.170 0.018 0.000 0.284 801 I C 0.186 176.297 176.117 -0.010 0.000 1.082 801 I CA 0.220 61.522 61.300 0.004 0.000 1.406 801 I CB 0.916 38.921 38.000 0.008 0.000 1.405 801 I HN 0.349 nan 8.210 nan 0.000 0.548 802 D N 9.123 129.515 120.400 -0.012 0.000 2.485 802 D HA 0.320 4.971 4.640 0.018 0.000 0.221 802 D C -1.883 174.385 176.300 -0.053 0.000 1.112 802 D CA -2.277 51.705 54.000 -0.030 0.000 0.911 802 D CB 1.058 41.846 40.800 -0.020 0.000 1.019 802 D HN 0.207 nan 8.370 nan 0.000 0.516 803 P HA -0.057 nan 4.420 nan 0.000 0.234 803 P C 0.470 177.686 177.300 -0.139 0.000 1.162 803 P CA 0.597 63.648 63.100 -0.082 0.000 0.759 803 P CB 0.332 31.991 31.700 -0.068 0.000 0.813 804 N N -0.915 117.693 118.700 -0.153 0.000 2.205 804 N HA 0.132 4.883 4.740 0.018 0.000 0.201 804 N C 0.488 175.809 175.510 -0.314 0.000 1.128 804 N CA -0.082 52.825 53.050 -0.239 0.000 0.867 804 N CB 0.351 38.719 38.487 -0.198 0.000 0.996 804 N HN 0.047 nan 8.380 nan 0.000 0.503 805 A N -0.042 122.651 122.820 -0.211 0.000 2.498 805 A HA 0.024 4.355 4.320 0.018 0.000 0.239 805 A C 0.920 178.321 177.584 -0.305 0.000 1.068 805 A CA -0.229 51.700 52.037 -0.179 0.000 0.766 805 A CB 0.068 19.033 19.000 -0.057 0.000 1.003 805 A HN 0.371 nan 8.150 nan 0.000 0.497 806 W N 1.772 122.820 121.300 -0.420 0.000 2.317 806 W HA -0.202 4.469 4.660 0.018 0.000 0.318 806 W C 2.276 178.176 176.519 -1.031 0.000 1.227 806 W CA 1.862 58.661 57.345 -0.910 0.000 1.269 806 W CB -0.234 28.609 29.460 -1.028 0.000 1.155 806 W HN 0.594 nan 8.180 nan 0.000 0.484 807 V N 0.645 120.454 119.914 -0.176 0.000 2.392 807 V HA -0.287 3.844 4.120 0.018 0.000 0.249 807 V C 2.206 178.425 176.094 0.208 0.000 1.059 807 V CA 2.363 64.862 62.300 0.332 0.000 1.051 807 V CB -0.444 31.610 31.823 0.386 0.000 0.658 807 V HN 0.045 nan 8.190 nan 0.000 0.455 808 E N 0.710 120.926 120.200 0.026 0.000 2.058 808 E HA -0.190 4.171 4.350 0.018 0.000 0.194 808 E C 2.393 178.980 176.600 -0.021 0.000 0.997 808 E CA 1.770 58.173 56.400 0.005 0.000 0.801 808 E CB -0.364 29.306 29.700 -0.051 0.000 0.746 808 E HN 0.688 nan 8.360 nan 0.000 0.450 809 R N -0.827 119.585 120.500 -0.146 0.000 2.115 809 R HA -0.079 4.272 4.340 0.018 0.000 0.226 809 R C 2.313 178.561 176.300 -0.087 0.000 1.100 809 R CA 0.962 56.956 56.100 -0.178 0.000 0.980 809 R CB -0.355 29.738 30.300 -0.346 0.000 0.875 809 R HN 0.255 nan 8.270 nan 0.000 0.445 810 W N 2.068 123.340 121.300 -0.047 0.000 2.407 810 W HA 0.036 4.707 4.660 0.018 0.000 0.305 810 W C 2.081 178.572 176.519 -0.046 0.000 1.196 810 W CA 0.263 57.497 57.345 -0.185 0.000 1.311 810 W CB -0.669 28.811 29.460 0.032 0.000 1.135 810 W HN 0.077 nan 8.180 nan 0.000 0.514 811 K N 0.181 120.834 120.400 0.422 0.000 2.032 811 K HA -0.148 4.183 4.320 0.018 0.000 0.209 811 K C 2.056 178.760 176.600 0.174 0.000 1.048 811 K CA 1.961 58.468 56.287 0.367 0.000 0.927 811 K CB -0.431 32.221 32.500 0.254 0.000 0.712 811 K HN -0.022 nan 8.250 nan 0.000 0.441 812 A N 0.012 122.890 122.820 0.097 0.000 2.209 812 A HA 0.056 4.387 4.320 0.018 0.000 0.212 812 A C 1.793 179.394 177.584 0.028 0.000 1.158 812 A CA 1.381 53.450 52.037 0.054 0.000 0.742 812 A CB -0.170 18.845 19.000 0.025 0.000 0.790 812 A HN 0.360 nan 8.150 nan 0.000 0.472 813 A N -2.244 120.563 122.820 -0.021 0.000 2.343 813 A HA 0.468 4.799 4.320 0.018 0.000 0.223 813 A C 1.584 179.080 177.584 -0.146 0.000 1.214 813 A CA 1.019 53.036 52.037 -0.033 0.000 0.900 813 A CB -0.295 18.666 19.000 -0.066 0.000 0.942 813 A HN 1.718 nan 8.150 nan 0.000 0.507 814 G N -1.177 107.448 108.800 -0.292 0.000 2.131 814 G HA2 -0.271 3.700 3.960 0.018 0.000 0.223 814 G HA3 -0.271 3.700 3.960 0.018 0.000 0.223 814 G C 0.620 175.526 174.900 0.011 0.000 0.990 814 G CA 0.606 45.356 45.100 -0.584 0.000 0.671 814 G HN 0.665 nan 8.290 nan 0.000 0.521 815 H N -1.168 117.878 119.070 -0.040 0.000 2.290 815 H HA -0.124 4.442 4.556 0.018 0.000 0.298 815 H C 2.276 177.578 175.328 -0.043 0.000 1.087 815 H CA 1.748 57.786 56.048 -0.016 0.000 1.291 815 H CB 0.041 29.727 29.762 -0.126 0.000 1.369 815 H HN 0.567 nan 8.280 nan 0.000 0.492 816 Y N 0.990 121.435 120.300 0.241 0.000 2.403 816 Y HA -0.161 4.400 4.550 0.018 0.000 0.291 816 Y C 2.086 178.083 175.900 0.163 0.000 1.143 816 Y CA 0.967 59.166 58.100 0.164 0.000 1.257 816 Y CB 0.279 38.818 38.460 0.130 0.000 0.984 816 Y HN 0.426 nan 8.280 nan 0.000 0.550 817 Q N -0.675 119.284 119.800 0.266 0.000 2.118 817 Q HA 0.409 4.760 4.340 0.018 0.000 0.219 817 Q C 0.360 176.539 176.000 0.298 0.000 0.794 817 Q CA -0.062 55.898 55.803 0.262 0.000 1.035 817 Q CB 0.226 29.112 28.738 0.246 0.000 1.177 817 Q HN 0.163 nan 8.270 nan 0.000 0.478 818 A N 1.731 124.739 122.820 0.312 0.000 2.492 818 A HA 0.181 4.512 4.320 0.018 0.000 0.236 818 A C -0.236 177.595 177.584 0.411 0.000 1.078 818 A CA 0.280 52.547 52.037 0.383 0.000 0.773 818 A CB 0.267 19.535 19.000 0.447 0.000 1.023 818 A HN 0.395 nan 8.150 nan 0.000 0.504 819 E N 0.252 120.652 120.200 0.334 0.000 2.256 819 E HA 0.506 4.867 4.350 0.018 0.000 0.268 819 E C -0.218 176.408 176.600 0.043 0.000 0.877 819 E CA -0.720 55.807 56.400 0.211 0.000 0.757 819 E CB 1.942 31.734 29.700 0.153 0.000 1.183 819 E HN 0.881 nan 8.360 nan 0.000 0.418 820 A N 2.265 124.982 122.820 -0.171 0.000 2.455 820 A HA 0.534 4.865 4.320 0.018 0.000 0.244 820 A C -0.105 177.295 177.584 -0.306 0.000 1.099 820 A CA 0.376 52.070 52.037 -0.571 0.000 0.786 820 A CB 0.282 19.013 19.000 -0.449 0.000 1.051 820 A HN 0.659 nan 8.150 nan 0.000 0.508 821 A N 0.453 123.052 122.820 -0.368 0.000 2.509 821 A HA 0.509 4.840 4.320 0.018 0.000 0.282 821 A C -0.797 176.557 177.584 -0.384 0.000 1.054 821 A CA -0.535 51.346 52.037 -0.260 0.000 0.820 821 A CB 0.515 19.434 19.000 -0.134 0.000 1.333 821 A HN 1.330 nan 8.150 nan 0.000 0.409 822 L N 2.760 123.731 121.223 -0.420 0.000 2.499 822 L HA 0.298 4.649 4.340 0.018 0.000 0.273 822 L C 0.486 177.184 176.870 -0.286 0.000 1.195 822 L CA 0.267 54.799 54.840 -0.513 0.000 0.882 822 L CB 0.160 41.996 42.059 -0.371 0.000 1.133 822 L HN 0.778 nan 8.230 nan 0.000 0.483 823 L N 3.343 124.413 121.223 -0.254 0.000 2.685 823 L HA 0.306 4.657 4.340 0.018 0.000 0.235 823 L C 0.168 176.999 176.870 -0.064 0.000 1.070 823 L CA -0.011 54.767 54.840 -0.105 0.000 0.888 823 L CB 0.213 42.251 42.059 -0.035 0.000 1.203 823 L HN 0.767 nan 8.230 nan 0.000 0.499 824 Q N -0.140 119.615 119.800 -0.075 0.000 2.443 824 Q HA 0.292 4.643 4.340 0.018 0.000 0.258 824 Q C -2.045 173.973 176.000 0.030 0.000 0.967 824 Q CA -0.564 55.236 55.803 -0.005 0.000 0.951 824 Q CB 2.478 31.235 28.738 0.033 0.000 1.459 824 Q HN 0.037 nan 8.270 nan 0.000 0.415 825 C N 3.618 122.955 119.300 0.063 0.000 2.571 825 C HA 0.860 5.330 4.460 0.018 0.000 0.343 825 C C -0.776 174.358 174.990 0.239 0.000 1.082 825 C CA 0.609 59.710 59.018 0.139 0.000 1.339 825 C CB 0.696 28.507 27.740 0.119 0.000 1.893 825 C HN 0.853 nan 8.230 nan 0.000 0.445 826 T N 2.522 117.165 114.554 0.148 0.000 2.896 826 T HA 0.895 5.256 4.350 0.018 0.000 0.297 826 T C -0.645 173.866 174.700 -0.315 0.000 1.108 826 T CA -0.301 61.818 62.100 0.032 0.000 1.004 826 T CB 1.891 70.766 68.868 0.012 0.000 1.159 826 T HN 1.576 nan 8.240 nan 0.000 0.499 827 A N 1.467 123.954 122.820 -0.555 0.000 2.386 827 A HA 0.805 5.135 4.320 0.018 0.000 0.311 827 A C -1.226 176.162 177.584 -0.328 0.000 1.068 827 A CA -0.673 50.962 52.037 -0.669 0.000 0.743 827 A CB 1.396 19.674 19.000 -1.203 0.000 1.258 827 A HN 0.876 nan 8.150 nan 0.000 0.429 828 D N 0.256 120.511 120.400 -0.240 0.000 2.661 828 D HA 0.491 5.142 4.640 0.018 0.000 0.228 828 D C -1.198 175.030 176.300 -0.121 0.000 1.183 828 D CA -0.019 53.899 54.000 -0.136 0.000 0.844 828 D CB 2.453 43.199 40.800 -0.090 0.000 1.555 828 D HN 0.359 nan 8.370 nan 0.000 0.453 829 T N 1.893 116.401 114.554 -0.076 0.000 2.758 829 T HA 0.355 4.716 4.350 0.018 0.000 0.285 829 T C -0.148 174.528 174.700 -0.040 0.000 0.981 829 T CA -0.595 61.471 62.100 -0.057 0.000 0.965 829 T CB 0.492 69.341 68.868 -0.032 0.000 0.927 829 T HN 0.052 nan 8.240 nan 0.000 0.448 830 L N 3.119 124.316 121.223 -0.043 0.000 2.334 830 L HA 0.426 4.776 4.340 0.018 0.000 0.277 830 L C 1.828 178.686 176.870 -0.019 0.000 1.075 830 L CA -0.188 54.634 54.840 -0.031 0.000 0.804 830 L CB 0.381 42.418 42.059 -0.036 0.000 1.174 830 L HN 0.826 nan 8.230 nan 0.000 0.438 831 A N 2.650 125.464 122.820 -0.010 0.000 2.038 831 A HA -0.244 4.087 4.320 0.018 0.000 0.224 831 A C 1.353 178.936 177.584 -0.002 0.000 1.190 831 A CA 2.482 54.518 52.037 -0.002 0.000 0.668 831 A CB -0.523 18.477 19.000 0.000 0.000 0.820 831 A HN 0.911 nan 8.150 nan 0.000 0.474 832 D N -3.533 116.861 120.400 -0.010 0.000 2.486 832 D HA 0.490 5.141 4.640 0.018 0.000 0.243 832 D C 0.405 176.684 176.300 -0.034 0.000 1.146 832 D CA 0.798 54.790 54.000 -0.013 0.000 0.821 832 D CB 0.124 40.921 40.800 -0.005 0.000 1.201 832 D HN 0.541 nan 8.370 nan 0.000 0.525 833 A N 0.209 123.002 122.820 -0.046 0.000 2.533 833 A HA 0.616 4.947 4.320 0.018 0.000 0.293 833 A C -1.440 176.094 177.584 -0.084 0.000 1.228 833 A CA -0.599 51.394 52.037 -0.074 0.000 0.689 833 A CB 1.694 20.649 19.000 -0.074 0.000 1.303 833 A HN -0.012 nan 8.150 nan 0.000 0.444 834 V N 0.520 120.364 119.914 -0.117 0.000 2.435 834 V HA 0.523 4.654 4.120 0.018 0.000 0.290 834 V C -0.844 175.164 176.094 -0.143 0.000 1.030 834 V CA -0.476 61.745 62.300 -0.131 0.000 0.881 834 V CB 1.209 32.949 31.823 -0.139 0.000 0.983 834 V HN 0.691 nan 8.190 nan 0.000 0.445 835 L N 6.491 127.625 121.223 -0.149 0.000 2.262 835 L HA 0.566 4.917 4.340 0.018 0.000 0.288 835 L C -0.591 176.159 176.870 -0.201 0.000 1.035 835 L CA -0.116 54.643 54.840 -0.136 0.000 0.820 835 L CB 0.850 42.849 42.059 -0.101 0.000 1.204 835 L HN 0.405 nan 8.230 nan 0.000 0.424 836 I N 4.392 124.848 120.570 -0.190 0.000 2.312 836 I HA 0.374 4.555 4.170 0.018 0.000 0.290 836 I C 0.580 176.675 176.117 -0.036 0.000 1.008 836 I CA -0.292 60.837 61.300 -0.285 0.000 1.226 836 I CB 0.952 38.509 38.000 -0.738 0.000 1.371 836 I HN 0.475 nan 8.210 nan 0.000 0.468 837 T N 5.738 120.267 114.554 -0.042 0.000 2.902 837 T HA 0.809 5.170 4.350 0.018 0.000 0.283 837 T C 0.050 174.818 174.700 0.113 0.000 1.009 837 T CA -0.297 61.839 62.100 0.059 0.000 1.051 837 T CB 1.419 70.306 68.868 0.031 0.000 0.999 837 T HN 0.824 nan 8.240 nan 0.000 0.474 838 T N -0.930 113.744 114.554 0.200 0.000 2.840 838 T HA 0.769 5.130 4.350 0.018 0.000 0.317 838 T C -1.625 173.265 174.700 0.317 0.000 1.401 838 T CA -1.027 61.236 62.100 0.271 0.000 1.028 838 T CB 1.545 70.675 68.868 0.437 0.000 1.317 838 T HN 0.818 nan 8.240 nan 0.000 0.495 839 A N 1.561 124.581 122.820 0.334 0.000 2.480 839 A HA 0.724 5.055 4.320 0.018 0.000 0.289 839 A C -1.525 176.245 177.584 0.310 0.000 1.044 839 A CA -0.776 51.485 52.037 0.374 0.000 0.761 839 A CB 0.703 19.818 19.000 0.192 0.000 1.289 839 A HN 0.938 nan 8.150 nan 0.000 0.401 840 H N 0.454 119.647 119.070 0.205 0.000 2.710 840 H HA 0.867 5.434 4.556 0.018 0.000 0.361 840 H C 0.096 175.540 175.328 0.192 0.000 1.175 840 H CA -0.080 55.975 56.048 0.012 0.000 1.206 840 H CB 2.027 31.540 29.762 -0.416 0.000 1.750 840 H HN 1.001 nan 8.280 nan 0.000 0.553 841 A N 1.386 124.280 122.820 0.124 0.000 2.356 841 A HA 0.469 4.800 4.320 0.018 0.000 0.310 841 A C -1.382 176.328 177.584 0.209 0.000 1.075 841 A CA -0.725 51.488 52.037 0.293 0.000 0.746 841 A CB 1.155 20.250 19.000 0.158 0.000 1.221 841 A HN 0.559 nan 8.150 nan 0.000 0.443 842 W N 1.768 123.203 121.300 0.225 0.000 2.520 842 W HA 0.510 5.181 4.660 0.018 0.000 0.323 842 W C -0.258 176.305 176.519 0.073 0.000 1.062 842 W CA -0.288 57.193 57.345 0.227 0.000 1.215 842 W CB 1.943 31.631 29.460 0.381 0.000 1.340 842 W HN 0.852 nan 8.180 nan 0.000 0.516 843 Q N 1.161 121.119 119.800 0.263 0.000 2.615 843 Q HA 0.461 4.812 4.340 0.018 0.000 0.298 843 Q C -1.218 174.922 176.000 0.233 0.000 1.023 843 Q CA -1.054 54.848 55.803 0.166 0.000 0.768 843 Q CB 3.489 32.289 28.738 0.104 0.000 1.500 843 Q HN 0.441 nan 8.270 nan 0.000 0.441 844 H N 1.413 120.522 119.070 0.065 0.000 3.289 844 H HA 0.026 4.592 4.556 0.018 0.000 0.330 844 H C -1.226 174.134 175.328 0.054 0.000 1.187 844 H CA -0.091 56.002 56.048 0.077 0.000 1.601 844 H CB 0.799 30.620 29.762 0.098 0.000 1.997 844 H HN 0.806 nan 8.280 nan 0.000 0.489 845 Q N 2.794 122.471 119.800 -0.205 0.000 2.440 845 Q HA -0.153 4.198 4.340 0.018 0.000 0.325 845 Q C 0.818 176.795 176.000 -0.038 0.000 1.454 845 Q CA 1.050 56.764 55.803 -0.148 0.000 0.828 845 Q CB -2.433 26.201 28.738 -0.174 0.000 1.104 845 Q HN 1.142 nan 8.270 nan 0.000 0.358 846 G N 0.349 109.140 108.800 -0.015 0.000 2.219 846 G HA2 -0.412 3.559 3.960 0.018 0.000 0.271 846 G HA3 -0.412 3.559 3.960 0.018 0.000 0.271 846 G C 0.186 175.098 174.900 0.020 0.000 0.991 846 G CA 1.302 46.406 45.100 0.006 0.000 0.685 846 G HN 0.599 nan 8.290 nan 0.000 0.531 847 K N 1.676 122.095 120.400 0.032 0.000 2.281 847 K HA 0.525 4.856 4.320 0.018 0.000 0.272 847 K C 0.480 177.098 176.600 0.031 0.000 1.048 847 K CA -0.133 56.176 56.287 0.036 0.000 0.898 847 K CB 0.466 32.992 32.500 0.043 0.000 1.128 847 K HN 0.073 nan 8.250 nan 0.000 0.460 848 T N 5.117 119.684 114.554 0.022 0.000 2.769 848 T HA 0.135 4.495 4.350 0.018 0.000 0.293 848 T C 1.224 175.883 174.700 -0.068 0.000 0.931 848 T CA -0.459 61.652 62.100 0.019 0.000 1.139 848 T CB 0.363 69.260 68.868 0.049 0.000 0.881 848 T HN 0.509 nan 8.240 nan 0.000 0.532 849 L N 1.428 122.514 121.223 -0.229 0.000 2.200 849 L HA 0.366 4.716 4.340 0.018 0.000 0.200 849 L C 0.130 176.608 176.870 -0.652 0.000 1.072 849 L CA 0.754 55.210 54.840 -0.639 0.000 0.787 849 L CB -0.042 41.185 42.059 -1.386 0.000 0.957 849 L HN 0.551 nan 8.230 nan 0.000 0.459 850 F N -0.856 119.060 119.950 -0.057 0.000 2.626 850 F HA 0.597 5.134 4.527 0.018 0.000 0.311 850 F C -0.484 175.416 175.800 0.166 0.000 1.088 850 F CA -0.915 57.008 58.000 -0.128 0.000 0.949 850 F CB 2.304 40.894 39.000 -0.683 0.000 1.322 850 F HN -0.318 nan 8.300 nan 0.000 0.461 851 I N 1.377 122.194 120.570 0.411 0.000 2.512 851 I HA 0.264 4.445 4.170 0.018 0.000 0.287 851 I C -1.032 175.356 176.117 0.452 0.000 1.069 851 I CA -0.443 61.132 61.300 0.458 0.000 1.056 851 I CB 2.127 40.313 38.000 0.310 0.000 1.229 851 I HN 0.452 nan 8.210 nan 0.000 0.429 852 S N 6.041 122.139 115.700 0.663 0.000 2.456 852 S HA 0.521 5.002 4.470 0.018 0.000 0.316 852 S C -0.430 174.436 174.600 0.444 0.000 1.089 852 S CA -0.601 57.930 58.200 0.552 0.000 1.101 852 S CB 0.763 64.413 63.200 0.751 0.000 0.995 852 S HN 0.482 nan 8.310 nan 0.000 0.468 853 R N 3.971 124.641 120.500 0.283 0.000 2.352 853 R HA 0.340 4.691 4.340 0.018 0.000 0.304 853 R C -0.517 175.854 176.300 0.118 0.000 1.104 853 R CA -0.511 55.718 56.100 0.214 0.000 0.991 853 R CB 1.187 31.597 30.300 0.183 0.000 1.140 853 R HN 0.598 nan 8.270 nan 0.000 0.540 854 K N 0.389 120.865 120.400 0.128 0.000 2.346 854 K HA 0.609 4.940 4.320 0.018 0.000 0.238 854 K C -0.444 176.152 176.600 -0.005 0.000 1.039 854 K CA -0.898 55.377 56.287 -0.021 0.000 0.861 854 K CB 1.972 34.368 32.500 -0.173 0.000 1.278 854 K HN 0.340 nan 8.250 nan 0.000 0.460 855 T N -1.485 112.968 114.554 -0.169 0.000 2.993 855 T HA 0.449 4.809 4.350 0.018 0.000 0.312 855 T C -1.438 173.123 174.700 -0.233 0.000 1.115 855 T CA -0.791 61.268 62.100 -0.068 0.000 1.027 855 T CB 0.391 69.245 68.868 -0.022 0.000 1.116 855 T HN 0.435 nan 8.240 nan 0.000 0.464 856 Y N 1.284 121.530 120.300 -0.090 0.000 2.377 856 Y HA 0.718 5.279 4.550 0.018 0.000 0.339 856 Y C 0.661 176.491 175.900 -0.116 0.000 1.011 856 Y CA -1.356 56.697 58.100 -0.078 0.000 1.093 856 Y CB 1.616 40.023 38.460 -0.089 0.000 1.201 856 Y HN 0.638 nan 8.280 nan 0.000 0.455 857 R N 4.670 125.204 120.500 0.056 0.000 2.473 857 R HA 0.502 4.853 4.340 0.018 0.000 0.303 857 R C -1.879 174.372 176.300 -0.081 0.000 1.002 857 R CA -0.350 55.734 56.100 -0.027 0.000 0.884 857 R CB 0.649 30.935 30.300 -0.024 0.000 1.173 857 R HN 0.755 nan 8.270 nan 0.000 0.464 858 I N 5.180 125.645 120.570 -0.175 0.000 2.330 858 I HA 0.204 4.385 4.170 0.018 0.000 0.289 858 I C 0.024 176.012 176.117 -0.215 0.000 1.001 858 I CA -0.611 60.505 61.300 -0.306 0.000 1.193 858 I CB 1.329 38.968 38.000 -0.602 0.000 1.345 858 I HN 0.656 nan 8.210 nan 0.000 0.461 859 D N 4.400 124.704 120.400 -0.159 0.000 2.621 859 D HA 0.254 4.905 4.640 0.018 0.000 0.255 859 D C 1.230 177.477 176.300 -0.088 0.000 1.122 859 D CA -0.592 53.347 54.000 -0.102 0.000 1.096 859 D CB 1.022 41.787 40.800 -0.057 0.000 1.282 859 D HN 0.486 nan 8.370 nan 0.000 0.619 860 G N -0.697 108.065 108.800 -0.063 0.000 2.517 860 G HA2 -0.271 3.700 3.960 0.018 0.000 0.222 860 G HA3 -0.271 3.700 3.960 0.018 0.000 0.222 860 G C 1.119 175.990 174.900 -0.048 0.000 1.109 860 G CA 1.451 46.520 45.100 -0.053 0.000 0.746 860 G HN 0.562 nan 8.290 nan 0.000 0.576 861 S N -0.384 115.291 115.700 -0.041 0.000 2.593 861 S HA 0.386 4.866 4.470 0.018 0.000 0.217 861 S C 1.603 176.219 174.600 0.027 0.000 0.966 861 S CA 0.630 58.813 58.200 -0.028 0.000 0.914 861 S CB 0.050 63.231 63.200 -0.030 0.000 0.776 861 S HN 1.460 nan 8.310 nan 0.000 0.523 862 G N 1.268 110.093 108.800 0.041 0.000 2.338 862 G HA2 -0.273 3.698 3.960 0.018 0.000 0.296 862 G HA3 -0.273 3.698 3.960 0.018 0.000 0.296 862 G C -0.327 174.697 174.900 0.206 0.000 1.040 862 G CA 0.207 45.414 45.100 0.179 0.000 1.004 862 G HN 0.631 nan 8.290 nan 0.000 0.509 863 Q N -0.604 119.231 119.800 0.058 0.000 2.333 863 Q HA 0.656 5.007 4.340 0.018 0.000 0.267 863 Q C 0.363 176.370 176.000 0.011 0.000 1.012 863 Q CA -1.031 54.819 55.803 0.079 0.000 0.824 863 Q CB 1.049 29.820 28.738 0.056 0.000 1.290 863 Q HN 0.643 nan 8.270 nan 0.000 0.449 864 M N 1.494 121.152 119.600 0.096 0.000 2.205 864 M HA 0.759 5.250 4.480 0.018 0.000 0.344 864 M C -1.220 175.179 176.300 0.164 0.000 1.085 864 M CA -0.580 54.769 55.300 0.081 0.000 1.001 864 M CB 1.827 34.433 32.600 0.010 0.000 1.626 864 M HN 0.445 nan 8.290 nan 0.000 0.442 865 A N 6.174 129.050 122.820 0.094 0.000 2.258 865 A HA 0.743 5.074 4.320 0.018 0.000 0.316 865 A C -0.569 177.026 177.584 0.019 0.000 1.279 865 A CA -0.816 51.266 52.037 0.074 0.000 0.876 865 A CB 0.348 19.372 19.000 0.042 0.000 1.170 865 A HN 0.935 nan 8.150 nan 0.000 0.520 866 I N 2.185 122.756 120.570 0.001 0.000 2.354 866 I HA 0.361 4.542 4.170 0.018 0.000 0.292 866 I C 0.013 176.003 176.117 -0.212 0.000 0.989 866 I CA -0.161 61.033 61.300 -0.177 0.000 1.188 866 I CB 1.691 39.614 38.000 -0.129 0.000 1.342 866 I HN 0.460 nan 8.210 nan 0.000 0.457 867 T N 5.864 120.244 114.554 -0.291 0.000 2.824 867 T HA 0.622 4.983 4.350 0.018 0.000 0.282 867 T C -0.442 174.034 174.700 -0.373 0.000 0.993 867 T CA -0.323 61.616 62.100 -0.268 0.000 0.967 867 T CB 1.892 70.699 68.868 -0.102 0.000 0.960 867 T HN 0.292 nan 8.240 nan 0.000 0.441 868 V N 3.523 123.111 119.914 -0.543 0.000 2.876 868 V HA 0.632 4.763 4.120 0.018 0.000 0.312 868 V C -0.906 175.018 176.094 -0.284 0.000 1.085 868 V CA -0.901 61.100 62.300 -0.497 0.000 0.945 868 V CB 2.405 33.673 31.823 -0.925 0.000 1.017 868 V HN 0.833 nan 8.190 nan 0.000 0.428 869 D N 1.925 122.313 120.400 -0.020 0.000 2.375 869 D HA 0.361 5.012 4.640 0.018 0.000 0.241 869 D C -1.230 175.199 176.300 0.216 0.000 1.361 869 D CA -0.026 54.074 54.000 0.166 0.000 0.995 869 D CB 2.537 43.467 40.800 0.217 0.000 1.312 869 D HN 0.255 nan 8.370 nan 0.000 0.576 870 V N 2.282 122.364 119.914 0.280 0.000 2.481 870 V HA 0.261 4.392 4.120 0.018 0.000 0.286 870 V C 0.388 176.629 176.094 0.246 0.000 1.042 870 V CA -0.419 62.048 62.300 0.278 0.000 0.928 870 V CB 2.073 34.083 31.823 0.311 0.000 0.986 870 V HN 0.332 nan 8.190 nan 0.000 0.462 871 E N 2.709 123.042 120.200 0.222 0.000 2.166 871 E HA 0.558 4.919 4.350 0.018 0.000 0.275 871 E C -1.473 175.252 176.600 0.208 0.000 0.941 871 E CA -0.508 56.001 56.400 0.183 0.000 0.784 871 E CB 2.246 32.039 29.700 0.156 0.000 1.115 871 E HN 0.472 nan 8.360 nan 0.000 0.399 872 V N 1.950 121.981 119.914 0.193 0.000 2.407 872 V HA 0.365 4.496 4.120 0.018 0.000 0.291 872 V C 0.160 176.352 176.094 0.163 0.000 1.018 872 V CA -1.137 61.304 62.300 0.234 0.000 0.842 872 V CB 1.262 33.263 31.823 0.298 0.000 0.996 872 V HN 0.794 nan 8.190 nan 0.000 0.426 873 A N 3.434 126.322 122.820 0.114 0.000 2.553 873 A HA 0.261 4.592 4.320 0.018 0.000 0.258 873 A C 1.822 179.478 177.584 0.119 0.000 1.069 873 A CA 0.827 52.913 52.037 0.081 0.000 0.767 873 A CB 0.203 19.217 19.000 0.024 0.000 0.997 873 A HN 1.377 nan 8.150 nan 0.000 0.512 874 S N 2.276 118.040 115.700 0.107 0.000 2.378 874 S HA -0.247 4.234 4.470 0.018 0.000 0.229 874 S C 1.144 175.827 174.600 0.139 0.000 1.052 874 S CA 1.976 60.252 58.200 0.127 0.000 1.084 874 S CB -0.554 62.697 63.200 0.085 0.000 0.950 874 S HN 0.889 nan 8.310 nan 0.000 0.440 875 D N 0.699 121.153 120.400 0.091 0.000 2.504 875 D HA 0.206 4.857 4.640 0.018 0.000 0.243 875 D C 0.182 176.522 176.300 0.067 0.000 1.203 875 D CA 0.049 54.090 54.000 0.068 0.000 0.847 875 D CB -0.551 40.275 40.800 0.042 0.000 0.973 875 D HN 0.258 nan 8.370 nan 0.000 0.490 876 T N 0.411 115.033 114.554 0.114 0.000 2.893 876 T HA 0.465 4.826 4.350 0.018 0.000 0.291 876 T C -2.761 172.042 174.700 0.173 0.000 1.028 876 T CA -2.015 60.166 62.100 0.135 0.000 0.995 876 T CB 1.527 70.489 68.868 0.156 0.000 1.051 876 T HN -0.165 nan 8.240 nan 0.000 0.470 877 P HA 0.120 nan 4.420 nan 0.000 0.266 877 P C -0.550 177.040 177.300 0.483 0.000 1.193 877 P CA -0.103 63.060 63.100 0.106 0.000 0.770 877 P CB 0.193 31.912 31.700 0.032 0.000 0.836 878 H N 2.209 121.671 119.070 0.654 0.000 2.848 878 H HA 0.150 4.716 4.556 0.018 0.000 0.341 878 H C -1.871 173.830 175.328 0.623 0.000 1.060 878 H CA -2.040 54.330 56.048 0.537 0.000 1.444 878 H CB -0.899 29.091 29.762 0.381 0.000 1.446 878 H HN 0.315 nan 8.280 nan 0.000 0.583 879 P HA 0.049 nan 4.420 nan 0.000 0.271 879 P C 0.346 177.590 177.300 -0.094 0.000 1.218 879 P CA -0.216 62.944 63.100 0.100 0.000 0.780 879 P CB 0.687 32.316 31.700 -0.118 0.000 0.901 880 A N 3.379 125.938 122.820 -0.434 0.000 2.067 880 A HA -0.066 4.265 4.320 0.018 0.000 0.219 880 A C 1.054 178.312 177.584 -0.544 0.000 1.158 880 A CA 1.291 53.017 52.037 -0.520 0.000 0.661 880 A CB -0.538 17.972 19.000 -0.818 0.000 0.801 880 A HN 0.751 nan 8.150 nan 0.000 0.452 881 R N -2.764 117.488 120.500 -0.414 0.000 2.752 881 R HA 0.682 5.033 4.340 0.018 0.000 0.277 881 R C -2.109 174.017 176.300 -0.290 0.000 1.024 881 R CA -0.804 55.097 56.100 -0.332 0.000 0.866 881 R CB 0.443 30.612 30.300 -0.219 0.000 1.278 881 R HN 0.035 nan 8.270 nan 0.000 0.473 882 I N 1.046 121.458 120.570 -0.263 0.000 2.529 882 I HA 0.689 4.870 4.170 0.018 0.000 0.284 882 I C -0.277 175.594 176.117 -0.410 0.000 1.088 882 I CA -0.223 60.906 61.300 -0.285 0.000 1.062 882 I CB 2.034 39.926 38.000 -0.180 0.000 1.218 882 I HN 1.046 nan 8.210 nan 0.000 0.442 883 G N 5.360 113.894 108.800 -0.443 0.000 2.356 883 G HA2 0.554 4.524 3.960 0.018 0.000 0.281 883 G HA3 0.554 4.524 3.960 0.018 0.000 0.281 883 G C -1.924 172.804 174.900 -0.287 0.000 1.246 883 G CA -0.709 44.168 45.100 -0.371 0.000 0.889 883 G HN 0.392 nan 8.290 nan 0.000 0.486 884 L N -0.171 120.926 121.223 -0.211 0.000 2.257 884 L HA 0.891 5.242 4.340 0.018 0.000 0.257 884 L C -0.353 176.383 176.870 -0.223 0.000 1.033 884 L CA -1.097 53.612 54.840 -0.218 0.000 0.835 884 L CB 2.100 44.078 42.059 -0.135 0.000 1.398 884 L HN 0.923 nan 8.230 nan 0.000 0.429 885 N N -0.333 118.263 118.700 -0.172 0.000 2.708 885 N HA 0.742 5.493 4.740 0.018 0.000 0.257 885 N C -1.309 174.185 175.510 -0.028 0.000 1.373 885 N CA -0.355 52.636 53.050 -0.098 0.000 0.843 885 N CB 2.071 40.533 38.487 -0.041 0.000 1.503 885 N HN 1.134 nan 8.380 nan 0.000 0.504 886 C N -1.275 118.037 119.300 0.020 0.000 3.306 886 C HA 0.634 5.105 4.460 0.018 0.000 0.335 886 C C -1.306 173.552 174.990 -0.219 0.000 1.382 886 C CA -0.796 58.205 59.018 -0.029 0.000 1.254 886 C CB 0.918 28.643 27.740 -0.025 0.000 1.555 886 C HN 0.896 nan 8.230 nan 0.000 0.463 887 Q N 1.268 120.791 119.800 -0.462 0.000 2.372 887 Q HA 0.609 4.960 4.340 0.018 0.000 0.259 887 Q C -1.056 174.695 176.000 -0.416 0.000 0.993 887 Q CA -0.463 54.848 55.803 -0.820 0.000 0.854 887 Q CB 0.870 28.890 28.738 -1.198 0.000 1.231 887 Q HN 0.769 nan 8.270 nan 0.000 0.462 888 L N 3.656 124.700 121.223 -0.299 0.000 2.410 888 L HA 0.162 4.513 4.340 0.018 0.000 0.273 888 L C 1.286 178.077 176.870 -0.131 0.000 1.144 888 L CA -0.106 54.671 54.840 -0.104 0.000 0.863 888 L CB 0.854 42.968 42.059 0.090 0.000 1.140 888 L HN 0.912 nan 8.230 nan 0.000 0.463 889 A N 3.356 126.109 122.820 -0.112 0.000 1.986 889 A HA -0.168 4.163 4.320 0.018 0.000 0.220 889 A C 1.181 178.725 177.584 -0.066 0.000 1.171 889 A CA 1.063 53.030 52.037 -0.116 0.000 0.640 889 A CB -0.234 18.693 19.000 -0.121 0.000 0.811 889 A HN 0.761 nan 8.150 nan 0.000 0.451 890 Q N -1.634 118.162 119.800 -0.006 0.000 2.526 890 Q HA 0.542 4.893 4.340 0.018 0.000 0.207 890 Q C -0.701 175.320 176.000 0.034 0.000 1.078 890 Q CA 0.297 56.103 55.803 0.006 0.000 1.041 890 Q CB 0.818 29.576 28.738 0.034 0.000 1.228 890 Q HN 0.192 nan 8.270 nan 0.000 0.603 891 V N 0.110 120.018 119.914 -0.009 0.000 2.735 891 V HA 0.620 4.751 4.120 0.018 0.000 0.276 891 V C -0.930 175.132 176.094 -0.054 0.000 1.083 891 V CA -0.727 61.601 62.300 0.047 0.000 0.923 891 V CB 1.124 32.962 31.823 0.027 0.000 1.053 891 V HN 0.804 nan 8.190 nan 0.000 0.471 892 A N 2.619 125.340 122.820 -0.164 0.000 2.263 892 A HA 0.817 5.148 4.320 0.018 0.000 0.318 892 A C 0.844 178.463 177.584 0.058 0.000 1.111 892 A CA -0.068 51.858 52.037 -0.185 0.000 0.901 892 A CB 1.425 20.137 19.000 -0.481 0.000 1.280 892 A HN 0.832 nan 8.150 nan 0.000 0.503 893 E N -0.857 119.369 120.200 0.044 0.000 2.307 893 E HA 0.066 4.427 4.350 0.018 0.000 0.195 893 E C 0.211 176.895 176.600 0.140 0.000 0.975 893 E CA 0.167 56.619 56.400 0.087 0.000 0.878 893 E CB 0.226 29.953 29.700 0.043 0.000 0.845 893 E HN 0.502 nan 8.360 nan 0.000 0.488 894 R N 0.252 120.844 120.500 0.153 0.000 2.854 894 R HA 0.512 4.863 4.340 0.018 0.000 0.271 894 R C -1.191 175.295 176.300 0.311 0.000 0.996 894 R CA -0.809 55.408 56.100 0.195 0.000 0.961 894 R CB 2.410 32.788 30.300 0.130 0.000 1.182 894 R HN -0.115 nan 8.270 nan 0.000 0.479 895 V N 2.327 122.442 119.914 0.334 0.000 2.577 895 V HA 0.323 4.454 4.120 0.018 0.000 0.303 895 V C -0.461 175.907 176.094 0.457 0.000 1.042 895 V CA -0.964 61.586 62.300 0.415 0.000 0.872 895 V CB 1.863 33.898 31.823 0.354 0.000 0.998 895 V HN 0.653 nan 8.190 nan 0.000 0.423 896 N N 4.659 123.605 118.700 0.411 0.000 2.346 896 N HA 0.517 5.268 4.740 0.018 0.000 0.289 896 N C -1.330 174.421 175.510 0.402 0.000 1.027 896 N CA -0.475 52.760 53.050 0.309 0.000 0.864 896 N CB 2.467 41.030 38.487 0.126 0.000 1.370 896 N HN 0.804 nan 8.380 nan 0.000 0.481 897 W N 3.150 124.507 121.300 0.094 0.000 3.083 897 W HA 0.596 5.266 4.660 0.018 0.000 0.333 897 W C -1.860 174.657 176.519 -0.003 0.000 1.217 897 W CA -1.189 56.191 57.345 0.060 0.000 1.170 897 W CB 0.776 30.305 29.460 0.113 0.000 1.437 897 W HN 0.223 nan 8.180 nan 0.000 0.557 898 L N 4.220 125.450 121.223 0.012 0.000 2.297 898 L HA 0.880 5.231 4.340 0.018 0.000 0.277 898 L C -0.010 176.753 176.870 -0.179 0.000 1.040 898 L CA 0.367 55.035 54.840 -0.285 0.000 0.867 898 L CB 0.362 42.297 42.059 -0.207 0.000 1.244 898 L HN 0.943 nan 8.230 nan 0.000 0.433 899 G N 3.826 112.438 108.800 -0.315 0.000 2.450 899 G HA2 0.223 4.194 3.960 0.018 0.000 0.273 899 G HA3 0.223 4.194 3.960 0.018 0.000 0.273 899 G C -1.557 173.443 174.900 0.167 0.000 1.221 899 G CA -0.970 44.118 45.100 -0.019 0.000 0.900 899 G HN 0.293 nan 8.290 nan 0.000 0.483 900 L N 1.451 122.890 121.223 0.360 0.000 2.331 900 L HA 0.597 4.948 4.340 0.018 0.000 0.278 900 L C 1.008 177.949 176.870 0.118 0.000 1.106 900 L CA 0.806 55.786 54.840 0.234 0.000 0.824 900 L CB 0.301 42.436 42.059 0.127 0.000 1.142 900 L HN 1.134 nan 8.230 nan 0.000 0.443 901 G N 3.618 112.244 108.800 -0.290 0.000 2.435 901 G HA2 0.248 4.219 3.960 0.018 0.000 0.296 901 G HA3 0.248 4.219 3.960 0.018 0.000 0.296 901 G C -2.690 171.505 174.900 -1.174 0.000 1.240 901 G CA -0.193 44.470 45.100 -0.728 0.000 0.872 901 G HN 0.302 nan 8.290 nan 0.000 0.480 902 P HA 0.043 nan 4.420 nan 0.000 0.218 902 P C 0.622 177.732 177.300 -0.317 0.000 1.152 902 P CA 0.899 63.389 63.100 -1.017 0.000 0.826 902 P CB -0.128 31.165 31.700 -0.678 0.000 0.790 903 Q N 1.056 120.670 119.800 -0.311 0.000 2.614 903 Q HA 0.019 4.370 4.340 0.018 0.000 0.244 903 Q C 0.592 176.473 176.000 -0.198 0.000 1.097 903 Q CA -0.106 55.579 55.803 -0.197 0.000 0.986 903 Q CB -0.432 28.211 28.738 -0.157 0.000 1.308 903 Q HN 0.244 nan 8.270 nan 0.000 0.546 904 E N 0.917 121.014 120.200 -0.171 0.000 2.413 904 E HA -0.010 4.351 4.350 0.018 0.000 0.263 904 E C -1.073 175.449 176.600 -0.131 0.000 1.015 904 E CA 0.067 56.358 56.400 -0.182 0.000 0.916 904 E CB 0.262 29.911 29.700 -0.086 0.000 0.947 904 E HN 0.743 nan 8.360 nan 0.000 0.440 905 N N 2.549 121.091 118.700 -0.263 0.000 2.452 905 N HA 0.248 4.999 4.740 0.018 0.000 0.277 905 N C -1.872 173.387 175.510 -0.419 0.000 1.078 905 N CA -0.676 52.267 53.050 -0.179 0.000 0.947 905 N CB 0.657 39.064 38.487 -0.134 0.000 1.655 905 N HN 0.245 nan 8.380 nan 0.000 0.490 906 Y N 0.839 121.064 120.300 -0.124 0.000 2.631 906 Y HA 0.548 5.109 4.550 0.018 0.000 0.328 906 Y C -1.535 174.295 175.900 -0.117 0.000 1.118 906 Y CA -2.177 55.850 58.100 -0.122 0.000 1.206 906 Y CB 1.124 39.526 38.460 -0.098 0.000 1.337 906 Y HN 0.427 nan 8.280 nan 0.000 0.515 907 P HA -0.107 nan 4.420 nan 0.000 0.216 907 P C 0.360 177.414 177.300 -0.409 0.000 1.153 907 P CA 1.833 64.895 63.100 -0.063 0.000 0.844 907 P CB 0.191 31.935 31.700 0.074 0.000 0.787 908 D N -1.897 118.064 120.400 -0.731 0.000 2.340 908 D HA -0.032 4.619 4.640 0.018 0.000 0.220 908 D C 0.816 176.939 176.300 -0.294 0.000 1.039 908 D CA 0.245 53.600 54.000 -1.074 0.000 0.866 908 D CB -0.341 39.681 40.800 -1.297 0.000 0.913 908 D HN 0.104 nan 8.370 nan 0.000 0.523 909 R N 1.047 121.474 120.500 -0.122 0.000 2.653 909 R HA 0.217 4.568 4.340 0.018 0.000 0.269 909 R C -0.703 175.627 176.300 0.050 0.000 1.603 909 R CA -0.197 55.912 56.100 0.014 0.000 1.671 909 R CB 0.071 30.394 30.300 0.038 0.000 1.300 909 R HN 0.099 nan 8.270 nan 0.000 0.668 910 L N -1.467 119.791 121.223 0.059 0.000 3.519 910 L HA 0.317 4.667 4.340 0.018 0.000 0.323 910 L C 1.179 178.117 176.870 0.113 0.000 1.289 910 L CA -0.114 54.765 54.840 0.065 0.000 1.039 910 L CB 0.148 42.227 42.059 0.033 0.000 1.438 910 L HN 0.056 nan 8.230 nan 0.000 0.619 911 T N -3.028 111.616 114.554 0.150 0.000 2.995 911 T HA 0.100 4.460 4.350 0.018 0.000 0.269 911 T C 1.632 176.474 174.700 0.237 0.000 1.091 911 T CA 1.129 63.349 62.100 0.199 0.000 1.128 911 T CB -0.113 68.882 68.868 0.212 0.000 0.891 911 T HN 0.389 nan 8.240 nan 0.000 0.492 912 A N 1.027 123.981 122.820 0.223 0.000 2.178 912 A HA 0.724 5.054 4.320 0.018 0.000 0.211 912 A C 1.501 179.228 177.584 0.239 0.000 1.157 912 A CA 0.280 52.444 52.037 0.211 0.000 0.780 912 A CB -0.656 18.520 19.000 0.295 0.000 0.828 912 A HN 0.780 nan 8.150 nan 0.000 0.476 913 A N -1.027 121.864 122.820 0.118 0.000 2.351 913 A HA 0.491 4.822 4.320 0.018 0.000 0.257 913 A C -0.095 177.529 177.584 0.066 0.000 1.087 913 A CA -0.131 51.917 52.037 0.019 0.000 0.798 913 A CB 0.028 19.024 19.000 -0.006 0.000 1.033 913 A HN 0.469 nan 8.150 nan 0.000 0.488 914 C N 0.427 119.737 119.300 0.017 0.000 2.507 914 C HA 0.544 5.015 4.460 0.018 0.000 0.319 914 C C -0.264 174.846 174.990 0.201 0.000 1.208 914 C CA -0.519 58.561 59.018 0.102 0.000 1.619 914 C CB 0.685 28.492 27.740 0.113 0.000 2.230 914 C HN 0.778 nan 8.230 nan 0.000 0.492 915 F N 3.970 123.793 119.950 -0.212 0.000 2.445 915 F HA 0.542 5.080 4.527 0.018 0.000 0.359 915 F C 0.304 175.854 175.800 -0.417 0.000 1.101 915 F CA 1.156 58.932 58.000 -0.374 0.000 1.177 915 F CB 0.032 38.400 39.000 -1.053 0.000 1.110 915 F HN 0.635 nan 8.300 nan 0.000 0.522 916 D N 3.544 123.395 120.400 -0.916 0.000 2.913 916 D HA 0.112 4.763 4.640 0.018 0.000 0.293 916 D C -1.611 173.723 176.300 -1.611 0.000 1.238 916 D CA -0.782 52.497 54.000 -1.203 0.000 0.738 916 D CB 1.359 41.407 40.800 -1.254 0.000 1.254 916 D HN 0.557 nan 8.370 nan 0.000 0.429 917 R N 1.124 120.775 120.500 -1.415 0.000 2.220 917 R HA 0.434 4.785 4.340 0.018 0.000 0.340 917 R C -1.089 174.380 176.300 -1.386 0.000 1.076 917 R CA -0.157 55.263 56.100 -1.134 0.000 0.920 917 R CB 0.169 30.051 30.300 -0.697 0.000 1.062 917 R HN 0.225 nan 8.270 nan 0.000 0.469 918 W N 3.038 123.789 121.300 -0.916 0.000 2.606 918 W HA 0.357 5.028 4.660 0.018 0.000 0.332 918 W C -0.313 175.767 176.519 -0.730 0.000 1.052 918 W CA -0.700 56.079 57.345 -0.943 0.000 1.223 918 W CB 1.497 30.004 29.460 -1.588 0.000 1.383 918 W HN 0.361 nan 8.180 nan 0.000 0.524 919 D N 3.413 123.745 120.400 -0.114 0.000 2.620 919 D HA 0.546 5.197 4.640 0.018 0.000 0.252 919 D C -1.489 174.886 176.300 0.124 0.000 1.207 919 D CA -0.186 53.824 54.000 0.017 0.000 0.884 919 D CB 1.191 41.979 40.800 -0.018 0.000 1.262 919 D HN 0.409 nan 8.370 nan 0.000 0.552 920 L N 3.268 124.636 121.223 0.241 0.000 2.465 920 L HA 0.423 4.774 4.340 0.018 0.000 0.257 920 L C -2.529 174.480 176.870 0.232 0.000 0.988 920 L CA -2.027 52.955 54.840 0.237 0.000 0.827 920 L CB 3.046 45.290 42.059 0.308 0.000 1.397 920 L HN 0.177 nan 8.230 nan 0.000 0.410 921 P HA 0.057 nan 4.420 nan 0.000 0.271 921 P C 0.471 177.861 177.300 0.151 0.000 1.216 921 P CA -0.324 62.861 63.100 0.143 0.000 0.776 921 P CB 0.751 32.513 31.700 0.102 0.000 0.881 922 L N 3.690 125.006 121.223 0.155 0.000 2.051 922 L HA -0.268 4.083 4.340 0.018 0.000 0.214 922 L C 1.972 178.912 176.870 0.116 0.000 1.076 922 L CA 2.209 57.131 54.840 0.138 0.000 0.758 922 L CB -1.537 40.614 42.059 0.154 0.000 0.890 922 L HN 0.293 nan 8.230 nan 0.000 0.433 923 S N -0.450 115.315 115.700 0.109 0.000 2.402 923 S HA -0.180 4.300 4.470 0.018 0.000 0.233 923 S C 1.390 176.073 174.600 0.139 0.000 1.030 923 S CA 1.388 59.660 58.200 0.121 0.000 1.003 923 S CB -0.601 62.653 63.200 0.091 0.000 0.813 923 S HN 0.566 nan 8.310 nan 0.000 0.477 924 D N 1.000 121.463 120.400 0.105 0.000 2.347 924 D HA 0.081 4.732 4.640 0.018 0.000 0.213 924 D C 1.144 177.469 176.300 0.041 0.000 0.985 924 D CA 0.480 54.522 54.000 0.070 0.000 0.879 924 D CB -0.169 40.668 40.800 0.062 0.000 0.919 924 D HN 0.329 nan 8.370 nan 0.000 0.526 925 M N -0.226 119.410 119.600 0.060 0.000 2.563 925 M HA 0.088 4.579 4.480 0.018 0.000 0.231 925 M C -0.115 176.203 176.300 0.030 0.000 1.136 925 M CA -0.061 55.230 55.300 -0.014 0.000 1.026 925 M CB -1.103 31.478 32.600 -0.031 0.000 1.597 925 M HN -0.008 nan 8.290 nan 0.000 0.495 926 Y N -0.255 120.015 120.300 -0.049 0.000 2.391 926 Y HA 0.489 5.050 4.550 0.018 0.000 0.341 926 Y C -0.785 175.055 175.900 -0.100 0.000 0.965 926 Y CA -0.840 57.237 58.100 -0.039 0.000 1.067 926 Y CB 1.329 39.825 38.460 0.061 0.000 1.199 926 Y HN -0.100 nan 8.280 nan 0.000 0.450 927 T N 9.010 123.048 114.554 -0.860 0.000 2.781 927 T HA 0.259 4.620 4.350 0.018 0.000 0.305 927 T C -2.651 171.280 174.700 -1.281 0.000 1.001 927 T CA -1.512 60.002 62.100 -0.977 0.000 0.950 927 T CB 0.742 69.093 68.868 -0.861 0.000 0.955 927 T HN 0.450 nan 8.240 nan 0.000 0.471 928 P HA 0.072 nan 4.420 nan 0.000 0.235 928 P C -0.725 176.486 177.300 -0.147 0.000 1.720 928 P CA -0.259 62.519 63.100 -0.536 0.000 1.003 928 P CB -0.942 30.591 31.700 -0.278 0.000 1.968 929 Y N 0.347 120.604 120.300 -0.072 0.000 2.674 929 Y HA -0.059 4.502 4.550 0.018 0.000 0.354 929 Y C 2.106 178.095 175.900 0.149 0.000 1.089 929 Y CA -0.612 57.545 58.100 0.094 0.000 1.444 929 Y CB 0.123 38.592 38.460 0.015 0.000 1.187 929 Y HN -0.058 nan 8.280 nan 0.000 0.523 930 V N 3.195 123.346 119.914 0.395 0.000 2.319 930 V HA -0.390 3.741 4.120 0.018 0.000 0.264 930 V C 0.813 177.100 176.094 0.322 0.000 1.107 930 V CA 1.904 64.403 62.300 0.333 0.000 1.101 930 V CB -0.711 31.335 31.823 0.372 0.000 0.704 930 V HN 0.649 nan 8.190 nan 0.000 0.454 931 F N 3.400 123.445 119.950 0.158 0.000 2.329 931 F HA 0.480 5.018 4.527 0.018 0.000 0.362 931 F C -2.182 173.658 175.800 0.067 0.000 1.113 931 F CA -3.403 54.644 58.000 0.079 0.000 1.212 931 F CB 0.422 39.385 39.000 -0.062 0.000 1.509 931 F HN 0.029 nan 8.300 nan 0.000 0.546 932 P HA 0.030 nan 4.420 nan 0.000 0.261 932 P C -0.666 176.395 177.300 -0.399 0.000 1.165 932 P CA 0.529 63.467 63.100 -0.270 0.000 0.759 932 P CB 0.856 32.385 31.700 -0.286 0.000 0.772 933 S N 0.573 116.217 115.700 -0.093 0.000 2.672 933 S HA 0.459 4.940 4.470 0.018 0.000 0.271 933 S C -0.715 173.900 174.600 0.024 0.000 1.171 933 S CA -0.987 57.203 58.200 -0.017 0.000 0.817 933 S CB 0.779 64.031 63.200 0.087 0.000 1.150 933 S HN 0.357 nan 8.310 nan 0.000 0.478 934 E N 1.008 121.227 120.200 0.032 0.000 2.481 934 E HA 0.376 4.737 4.350 0.018 0.000 0.263 934 E C -0.069 176.587 176.600 0.093 0.000 0.992 934 E CA 0.897 57.329 56.400 0.054 0.000 0.938 934 E CB -0.110 29.641 29.700 0.085 0.000 0.933 934 E HN 0.851 nan 8.360 nan 0.000 0.453 935 N N 0.718 119.493 118.700 0.125 0.000 3.356 935 N HA 0.408 5.159 4.740 0.018 0.000 0.246 935 N C 0.169 175.717 175.510 0.063 0.000 1.480 935 N CA -0.649 52.513 53.050 0.188 0.000 0.877 935 N CB 0.368 38.971 38.487 0.194 0.000 1.431 935 N HN 0.767 nan 8.380 nan 0.000 0.500 936 G N -1.024 107.785 108.800 0.015 0.000 2.175 936 G HA2 -0.296 3.675 3.960 0.018 0.000 0.265 936 G HA3 -0.296 3.675 3.960 0.018 0.000 0.265 936 G C -0.024 174.661 174.900 -0.359 0.000 0.979 936 G CA 0.552 45.557 45.100 -0.158 0.000 0.663 936 G HN 0.774 nan 8.290 nan 0.000 0.533 937 L N 0.773 121.738 121.223 -0.431 0.000 2.554 937 L HA 0.372 4.723 4.340 0.018 0.000 0.293 937 L C 0.751 177.087 176.870 -0.890 0.000 1.252 937 L CA 0.554 54.894 54.840 -0.834 0.000 0.862 937 L CB 0.354 41.598 42.059 -1.358 0.000 1.113 937 L HN 0.321 nan 8.230 nan 0.000 0.510 938 R N 4.412 124.290 120.500 -1.037 0.000 2.502 938 R HA 0.435 4.786 4.340 0.018 0.000 0.300 938 R C -1.180 174.758 176.300 -0.603 0.000 0.984 938 R CA -0.689 54.883 56.100 -0.879 0.000 0.882 938 R CB 0.911 30.529 30.300 -1.137 0.000 1.180 938 R HN 0.578 nan 8.270 nan 0.000 0.444 939 C N 0.112 119.212 119.300 -0.333 0.000 2.349 939 C HA 0.640 5.111 4.460 0.018 0.000 0.361 939 C C 1.371 176.347 174.990 -0.024 0.000 1.189 939 C CA 0.255 59.163 59.018 -0.183 0.000 2.155 939 C CB 1.156 28.802 27.740 -0.156 0.000 2.336 939 C HN 1.072 nan 8.230 nan 0.000 0.540 940 G N 2.352 111.144 108.800 -0.013 0.000 2.366 940 G HA2 -0.187 3.784 3.960 0.018 0.000 0.299 940 G HA3 -0.187 3.784 3.960 0.018 0.000 0.299 940 G C -0.061 174.876 174.900 0.062 0.000 1.020 940 G CA 0.470 45.593 45.100 0.039 0.000 1.026 940 G HN 0.813 nan 8.290 nan 0.000 0.512 941 T N 0.187 114.644 114.554 -0.163 0.000 2.780 941 T HA 0.427 4.788 4.350 0.018 0.000 0.294 941 T C 1.624 175.951 174.700 -0.623 0.000 0.949 941 T CA -0.511 61.452 62.100 -0.228 0.000 1.074 941 T CB 0.883 69.724 68.868 -0.046 0.000 0.910 941 T HN 0.345 nan 8.240 nan 0.000 0.501 942 R N 2.011 122.418 120.500 -0.155 0.000 2.237 942 R HA 0.254 4.604 4.340 0.018 0.000 0.195 942 R C 0.672 176.975 176.300 0.005 0.000 0.956 942 R CA 0.262 56.325 56.100 -0.062 0.000 1.029 942 R CB 0.485 30.890 30.300 0.175 0.000 0.972 942 R HN 0.724 nan 8.270 nan 0.000 0.493 943 E N 0.464 120.694 120.200 0.050 0.000 2.388 943 E HA 0.388 4.749 4.350 0.018 0.000 0.280 943 E C -1.961 174.788 176.600 0.249 0.000 1.019 943 E CA -0.722 55.787 56.400 0.182 0.000 0.806 943 E CB 1.710 31.492 29.700 0.137 0.000 1.246 943 E HN -0.009 nan 8.360 nan 0.000 0.443 944 L N 2.316 123.724 121.223 0.309 0.000 2.611 944 L HA 0.589 4.940 4.340 0.018 0.000 0.260 944 L C -2.259 174.831 176.870 0.366 0.000 0.924 944 L CA -0.553 54.455 54.840 0.280 0.000 0.901 944 L CB 2.049 44.098 42.059 -0.017 0.000 1.369 944 L HN 0.447 nan 8.230 nan 0.000 0.415 945 N N 3.564 122.439 118.700 0.291 0.000 2.372 945 N HA 0.472 5.223 4.740 0.018 0.000 0.291 945 N C -1.901 173.839 175.510 0.383 0.000 1.024 945 N CA -0.256 52.949 53.050 0.259 0.000 0.873 945 N CB 2.073 40.642 38.487 0.136 0.000 1.206 945 N HN 0.700 nan 8.380 nan 0.000 0.486 946 Y N 0.912 121.362 120.300 0.250 0.000 2.332 946 Y HA 0.419 4.980 4.550 0.018 0.000 0.325 946 Y C 0.771 176.771 175.900 0.167 0.000 1.054 946 Y CA 0.078 58.330 58.100 0.253 0.000 1.119 946 Y CB 0.719 39.401 38.460 0.370 0.000 1.168 946 Y HN 0.850 nan 8.280 nan 0.000 0.439 947 G N 6.422 115.083 108.800 -0.231 0.000 2.629 947 G HA2 -0.314 3.657 3.960 0.018 0.000 0.313 947 G HA3 -0.314 3.657 3.960 0.018 0.000 0.313 947 G C -1.772 172.999 174.900 -0.214 0.000 1.217 947 G CA 0.271 45.207 45.100 -0.274 0.000 0.994 947 G HN 0.572 nan 8.290 nan 0.000 0.549 948 P HA 0.227 nan 4.420 nan 0.000 0.261 948 P C 0.121 177.046 177.300 -0.625 0.000 1.268 948 P CA 0.596 63.427 63.100 -0.447 0.000 0.833 948 P CB 0.016 31.412 31.700 -0.506 0.000 1.231 949 H N 0.103 119.079 119.070 -0.157 0.000 2.483 949 H HA 0.566 5.133 4.556 0.018 0.000 0.338 949 H C 0.354 175.312 175.328 -0.616 0.000 1.152 949 H CA -0.403 55.378 56.048 -0.445 0.000 1.264 949 H CB 1.091 30.391 29.762 -0.770 0.000 1.510 949 H HN -0.075 nan 8.280 nan 0.000 0.530 950 Q N 2.634 122.032 119.800 -0.670 0.000 2.268 950 Q HA 0.229 4.580 4.340 0.018 0.000 0.266 950 Q C -1.957 173.747 176.000 -0.493 0.000 1.006 950 Q CA -0.803 54.762 55.803 -0.397 0.000 0.824 950 Q CB 1.729 30.411 28.738 -0.094 0.000 1.306 950 Q HN 0.639 nan 8.270 nan 0.000 0.424 951 W N 3.861 125.155 121.300 -0.011 0.000 2.632 951 W HA 0.628 5.299 4.660 0.018 0.000 0.328 951 W C -0.196 176.413 176.519 0.150 0.000 1.044 951 W CA -0.849 56.473 57.345 -0.038 0.000 1.225 951 W CB 1.981 31.271 29.460 -0.283 0.000 1.396 951 W HN 0.572 nan 8.180 nan 0.000 0.499 952 R N 0.890 121.617 120.500 0.380 0.000 2.725 952 R HA 0.779 5.130 4.340 0.018 0.000 0.277 952 R C 0.044 176.558 176.300 0.357 0.000 0.987 952 R CA -0.670 55.636 56.100 0.343 0.000 0.901 952 R CB 2.374 32.801 30.300 0.213 0.000 1.207 952 R HN 0.762 nan 8.270 nan 0.000 0.463 953 G N 1.027 110.014 108.800 0.312 0.000 2.403 953 G HA2 -0.034 3.937 3.960 0.018 0.000 0.223 953 G HA3 -0.034 3.937 3.960 0.018 0.000 0.223 953 G C -1.962 173.005 174.900 0.111 0.000 1.287 953 G CA -0.596 44.659 45.100 0.258 0.000 0.982 953 G HN 0.487 nan 8.290 nan 0.000 0.471 954 D N 0.222 120.701 120.400 0.130 0.000 2.492 954 D HA 0.736 5.387 4.640 0.018 0.000 0.248 954 D C -0.561 175.758 176.300 0.033 0.000 1.101 954 D CA -0.149 53.827 54.000 -0.041 0.000 0.840 954 D CB 1.261 42.068 40.800 0.011 0.000 1.209 954 D HN 0.830 nan 8.370 nan 0.000 0.524 955 F N 0.192 120.129 119.950 -0.021 0.000 3.265 955 F HA 0.403 4.941 4.527 0.018 0.000 0.328 955 F C -1.942 173.816 175.800 -0.069 0.000 1.117 955 F CA -1.072 56.857 58.000 -0.120 0.000 0.850 955 F CB 0.443 39.358 39.000 -0.142 0.000 1.470 955 F HN 0.026 nan 8.300 nan 0.000 0.473 956 Q N 1.629 121.628 119.800 0.332 0.000 2.365 956 Q HA 0.699 5.049 4.340 0.018 0.000 0.269 956 Q C -1.339 174.758 176.000 0.161 0.000 1.061 956 Q CA -0.446 55.415 55.803 0.097 0.000 0.816 956 Q CB 2.899 31.548 28.738 -0.148 0.000 1.325 956 Q HN 0.854 nan 8.270 nan 0.000 0.446 957 F N -0.773 119.088 119.950 -0.148 0.000 2.715 957 F HA 0.810 5.348 4.527 0.018 0.000 0.318 957 F C -1.548 174.023 175.800 -0.381 0.000 1.141 957 F CA -1.046 56.773 58.000 -0.301 0.000 0.950 957 F CB 1.892 40.710 39.000 -0.303 0.000 1.374 957 F HN 0.584 nan 8.300 nan 0.000 0.477 958 N N 0.973 119.556 118.700 -0.195 0.000 2.521 958 N HA 0.498 5.249 4.740 0.018 0.000 0.269 958 N C -2.431 173.041 175.510 -0.064 0.000 1.079 958 N CA -0.596 52.307 53.050 -0.245 0.000 0.980 958 N CB 1.907 40.217 38.487 -0.295 0.000 1.667 958 N HN 1.137 nan 8.380 nan 0.000 0.498 959 I N 1.866 122.405 120.570 -0.051 0.000 2.563 959 I HA 0.669 4.850 4.170 0.018 0.000 0.285 959 I C -1.169 174.914 176.117 -0.058 0.000 1.123 959 I CA 0.027 61.266 61.300 -0.102 0.000 1.059 959 I CB 1.028 38.878 38.000 -0.250 0.000 1.229 959 I HN 0.937 nan 8.210 nan 0.000 0.442 960 S N 6.381 122.095 115.700 0.022 0.000 2.903 960 S HA 0.616 5.097 4.470 0.018 0.000 0.314 960 S C 0.013 174.633 174.600 0.034 0.000 1.177 960 S CA -0.995 57.252 58.200 0.078 0.000 0.859 960 S CB 1.638 64.989 63.200 0.251 0.000 1.265 960 S HN 0.571 nan 8.310 nan 0.000 0.584 961 R N 0.007 120.398 120.500 -0.182 0.000 2.609 961 R HA 0.335 4.685 4.340 0.018 0.000 0.326 961 R C -1.328 174.678 176.300 -0.490 0.000 1.090 961 R CA 0.112 55.987 56.100 -0.375 0.000 1.072 961 R CB -0.686 29.235 30.300 -0.632 0.000 1.330 961 R HN 0.629 nan 8.270 nan 0.000 0.572 962 Y N -0.078 120.339 120.300 0.195 0.000 2.386 962 Y HA 0.171 4.732 4.550 0.018 0.000 0.334 962 Y C 0.619 176.090 175.900 -0.715 0.000 1.002 962 Y CA -1.026 57.016 58.100 -0.097 0.000 1.068 962 Y CB 1.568 39.948 38.460 -0.132 0.000 1.203 962 Y HN -0.035 nan 8.280 nan 0.000 0.443 963 S N 1.500 116.633 115.700 -0.944 0.000 2.580 963 S HA 0.024 4.505 4.470 0.018 0.000 0.266 963 S C 0.913 175.143 174.600 -0.617 0.000 1.354 963 S CA -0.601 56.714 58.200 -1.475 0.000 1.008 963 S CB 0.965 63.555 63.200 -1.016 0.000 0.898 963 S HN 0.784 nan 8.310 nan 0.000 0.555 964 Q N 0.382 119.870 119.800 -0.519 0.000 2.079 964 Q HA -0.149 4.201 4.340 0.018 0.000 0.200 964 Q C 2.337 178.232 176.000 -0.176 0.000 0.974 964 Q CA 1.444 57.097 55.803 -0.249 0.000 0.840 964 Q CB -0.420 28.215 28.738 -0.171 0.000 0.898 964 Q HN 0.789 nan 8.270 nan 0.000 0.430 965 Q N 0.559 120.250 119.800 -0.182 0.000 2.077 965 Q HA -0.239 4.112 4.340 0.018 0.000 0.206 965 Q C 2.128 178.065 176.000 -0.105 0.000 0.989 965 Q CA 1.465 57.202 55.803 -0.110 0.000 0.853 965 Q CB -0.089 28.599 28.738 -0.083 0.000 0.907 965 Q HN 0.411 nan 8.270 nan 0.000 0.418 966 Q N 0.106 119.835 119.800 -0.119 0.000 2.181 966 Q HA -0.159 4.192 4.340 0.018 0.000 0.205 966 Q C 2.113 178.044 176.000 -0.116 0.000 0.980 966 Q CA 0.831 56.590 55.803 -0.072 0.000 0.862 966 Q CB 0.026 28.769 28.738 0.008 0.000 0.905 966 Q HN 0.416 nan 8.270 nan 0.000 0.429 967 L N -0.344 120.794 121.223 -0.142 0.000 2.072 967 L HA -0.161 4.190 4.340 0.018 0.000 0.205 967 L C 2.578 179.338 176.870 -0.185 0.000 1.079 967 L CA 0.828 55.567 54.840 -0.169 0.000 0.752 967 L CB -0.299 41.680 42.059 -0.132 0.000 0.906 967 L HN 0.352 nan 8.230 nan 0.000 0.436 968 M N -0.257 119.262 119.600 -0.135 0.000 2.175 968 M HA -0.195 4.295 4.480 0.018 0.000 0.264 968 M C 1.631 177.865 176.300 -0.111 0.000 1.063 968 M CA 1.747 56.978 55.300 -0.115 0.000 1.119 968 M CB 0.099 32.635 32.600 -0.108 0.000 1.377 968 M HN 0.163 nan 8.290 nan 0.000 0.415 969 E N -0.881 119.258 120.200 -0.101 0.000 2.489 969 E HA 0.026 4.387 4.350 0.018 0.000 0.193 969 E C -0.326 176.226 176.600 -0.081 0.000 1.057 969 E CA 0.199 56.557 56.400 -0.069 0.000 0.866 969 E CB 0.334 30.008 29.700 -0.044 0.000 0.916 969 E HN 0.293 nan 8.360 nan 0.000 0.500 970 T N 0.346 114.815 114.554 -0.142 0.000 2.758 970 T HA 0.118 4.479 4.350 0.018 0.000 0.285 970 T C 1.040 175.636 174.700 -0.173 0.000 0.981 970 T CA -0.534 61.481 62.100 -0.142 0.000 0.965 970 T CB 1.652 70.419 68.868 -0.169 0.000 0.927 970 T HN 0.012 nan 8.240 nan 0.000 0.448 971 S N 2.056 117.760 115.700 0.006 0.000 2.461 971 S HA 0.010 4.491 4.470 0.018 0.000 0.228 971 S C 0.337 175.057 174.600 0.201 0.000 1.005 971 S CA 0.492 58.785 58.200 0.155 0.000 0.942 971 S CB -0.260 63.170 63.200 0.383 0.000 0.776 971 S HN 0.769 nan 8.310 nan 0.000 0.514 972 H N -0.054 119.000 119.070 -0.026 0.000 2.895 972 H HA 0.519 5.086 4.556 0.018 0.000 0.373 972 H C 0.887 176.226 175.328 0.017 0.000 1.174 972 H CA -1.079 55.034 56.048 0.107 0.000 1.144 972 H CB 1.151 31.115 29.762 0.336 0.000 1.793 972 H HN 0.077 nan 8.280 nan 0.000 0.551 973 R N 0.822 121.489 120.500 0.278 0.000 2.096 973 R HA -0.133 4.218 4.340 0.018 0.000 0.235 973 R C 0.887 177.245 176.300 0.097 0.000 1.127 973 R CA 1.687 57.870 56.100 0.139 0.000 0.968 973 R CB -0.464 29.935 30.300 0.165 0.000 0.861 973 R HN 0.742 nan 8.270 nan 0.000 0.440 974 H N 0.790 119.887 119.070 0.043 0.000 2.612 974 H HA 0.140 4.706 4.556 0.018 0.000 0.285 974 H C 0.824 176.050 175.328 -0.170 0.000 1.066 974 H CA 0.253 56.281 56.048 -0.033 0.000 1.180 974 H CB -0.019 29.768 29.762 0.042 0.000 1.312 974 H HN 0.343 nan 8.280 nan 0.000 0.606 975 L N 0.362 121.280 121.223 -0.509 0.000 3.086 975 L HA 0.277 4.628 4.340 0.018 0.000 0.274 975 L C 0.284 176.765 176.870 -0.647 0.000 1.184 975 L CA -0.097 54.360 54.840 -0.638 0.000 1.002 975 L CB 0.641 42.346 42.059 -0.590 0.000 1.383 975 L HN 0.072 nan 8.230 nan 0.000 0.582 976 L N -0.426 120.498 121.223 -0.498 0.000 2.456 976 L HA 0.290 4.641 4.340 0.018 0.000 0.257 976 L C -0.552 176.015 176.870 -0.504 0.000 1.162 976 L CA -0.253 54.334 54.840 -0.422 0.000 0.808 976 L CB 0.619 42.469 42.059 -0.349 0.000 1.136 976 L HN 0.089 nan 8.230 nan 0.000 0.466 977 H N -0.538 118.639 119.070 0.177 0.000 2.851 977 H HA 0.565 5.132 4.556 0.018 0.000 0.372 977 H C -0.426 174.951 175.328 0.082 0.000 1.158 977 H CA -0.779 55.338 56.048 0.116 0.000 1.159 977 H CB 1.466 31.243 29.762 0.026 0.000 1.757 977 H HN 0.730 nan 8.280 nan 0.000 0.546 978 A N 1.888 124.735 122.820 0.045 0.000 2.483 978 A HA 0.189 4.520 4.320 0.018 0.000 0.238 978 A C 0.022 177.550 177.584 -0.093 0.000 1.070 978 A CA -0.252 51.644 52.037 -0.235 0.000 0.770 978 A CB 0.052 18.946 19.000 -0.178 0.000 1.008 978 A HN 0.780 nan 8.150 nan 0.000 0.497 979 E N 0.935 121.069 120.200 -0.111 0.000 2.239 979 E HA 0.221 4.582 4.350 0.018 0.000 0.261 979 E C 0.329 176.904 176.600 -0.042 0.000 1.016 979 E CA -0.760 55.648 56.400 0.012 0.000 0.882 979 E CB 0.950 30.766 29.700 0.194 0.000 1.190 979 E HN 0.784 nan 8.360 nan 0.000 0.415 980 E N 0.615 120.792 120.200 -0.038 0.000 2.132 980 E HA -0.289 4.072 4.350 0.018 0.000 0.218 980 E C 0.989 177.523 176.600 -0.109 0.000 1.058 980 E CA 2.048 58.404 56.400 -0.074 0.000 0.882 980 E CB -0.042 29.618 29.700 -0.066 0.000 0.774 980 E HN 0.594 nan 8.360 nan 0.000 0.467 981 G N -1.856 106.834 108.800 -0.183 0.000 3.407 981 G HA2 0.322 4.293 3.960 0.018 0.000 0.187 981 G HA3 0.322 4.293 3.960 0.018 0.000 0.187 981 G C -0.764 174.017 174.900 -0.198 0.000 1.262 981 G CA -0.093 44.899 45.100 -0.180 0.000 0.808 981 G HN 0.103 nan 8.290 nan 0.000 0.687 982 T N 0.545 114.960 114.554 -0.231 0.000 2.890 982 T HA 0.291 4.652 4.350 0.018 0.000 0.295 982 T C -1.354 173.152 174.700 -0.324 0.000 0.993 982 T CA -0.183 61.809 62.100 -0.179 0.000 0.979 982 T CB 1.215 70.109 68.868 0.042 0.000 0.967 982 T HN 0.339 nan 8.240 nan 0.000 0.441 983 W N 3.792 125.032 121.300 -0.101 0.000 2.529 983 W HA 0.451 5.122 4.660 0.018 0.000 0.319 983 W C -0.028 176.387 176.519 -0.174 0.000 1.362 983 W CA -0.628 56.650 57.345 -0.112 0.000 1.348 983 W CB 0.331 29.740 29.460 -0.085 0.000 1.403 983 W HN 0.374 nan 8.180 nan 0.000 0.519 984 L N 5.785 127.041 121.223 0.055 0.000 2.341 984 L HA 0.487 4.838 4.340 0.018 0.000 0.278 984 L C -0.812 175.964 176.870 -0.155 0.000 1.005 984 L CA -0.395 54.345 54.840 -0.167 0.000 0.818 984 L CB 1.031 42.843 42.059 -0.411 0.000 1.259 984 L HN 0.277 nan 8.230 nan 0.000 0.418 985 N N 6.488 125.063 118.700 -0.207 0.000 2.483 985 N HA 0.455 5.206 4.740 0.018 0.000 0.267 985 N C -1.295 174.029 175.510 -0.310 0.000 0.998 985 N CA -0.278 52.642 53.050 -0.217 0.000 0.918 985 N CB 2.163 40.552 38.487 -0.163 0.000 1.215 985 N HN 0.507 nan 8.380 nan 0.000 0.500 986 I N 1.785 122.120 120.570 -0.392 0.000 2.355 986 I HA 0.244 4.424 4.170 0.018 0.000 0.288 986 I C -0.528 175.342 176.117 -0.412 0.000 0.999 986 I CA -0.511 60.479 61.300 -0.516 0.000 1.163 986 I CB 1.548 39.114 38.000 -0.724 0.000 1.316 986 I HN 0.153 nan 8.210 nan 0.000 0.454 987 D N 4.780 124.973 120.400 -0.345 0.000 2.256 987 D HA 0.275 4.926 4.640 0.018 0.000 0.240 987 D C 1.016 177.027 176.300 -0.481 0.000 1.062 987 D CA -0.185 53.591 54.000 -0.373 0.000 0.832 987 D CB 2.472 43.132 40.800 -0.234 0.000 1.135 987 D HN 0.706 nan 8.370 nan 0.000 0.484 988 G N 1.721 109.926 108.800 -0.992 0.000 2.404 988 G HA2 -0.050 3.921 3.960 0.018 0.000 0.215 988 G HA3 -0.050 3.921 3.960 0.018 0.000 0.215 988 G C 0.130 174.318 174.900 -1.187 0.000 1.174 988 G CA 0.748 45.027 45.100 -1.368 0.000 0.780 988 G HN 0.419 nan 8.290 nan 0.000 0.537 989 F N -2.184 117.517 119.950 -0.415 0.000 2.626 989 F HA 0.586 5.124 4.527 0.018 0.000 0.311 989 F C -0.534 175.154 175.800 -0.188 0.000 1.088 989 F CA -1.287 56.560 58.000 -0.255 0.000 0.949 989 F CB 1.874 40.663 39.000 -0.352 0.000 1.322 989 F HN -0.014 nan 8.300 nan 0.000 0.461 990 H N 2.826 121.895 119.070 -0.001 0.000 3.042 990 H HA 0.383 4.950 4.556 0.018 0.000 0.345 990 H C -1.155 174.175 175.328 0.003 0.000 1.052 990 H CA -0.781 55.237 56.048 -0.049 0.000 1.311 990 H CB 2.190 31.907 29.762 -0.075 0.000 1.810 990 H HN 0.912 nan 8.280 nan 0.000 0.505 991 M N 3.607 122.934 119.600 -0.454 0.000 2.245 991 M HA 0.355 4.845 4.480 0.018 0.000 0.330 991 M C 0.253 176.506 176.300 -0.079 0.000 1.098 991 M CA 0.415 55.586 55.300 -0.214 0.000 1.172 991 M CB 0.631 33.087 32.600 -0.241 0.000 1.467 991 M HN 0.606 nan 8.290 nan 0.000 0.454 992 G N 2.401 111.204 108.800 0.005 0.000 2.716 992 G HA2 0.265 4.236 3.960 0.018 0.000 0.251 992 G HA3 0.265 4.236 3.960 0.018 0.000 0.251 992 G C 0.689 175.537 174.900 -0.087 0.000 1.224 992 G CA -0.248 44.815 45.100 -0.061 0.000 0.891 992 G HN 1.026 nan 8.290 nan 0.000 0.561 993 I N -1.694 118.798 120.570 -0.130 0.000 2.494 993 I HA 0.424 4.605 4.170 0.018 0.000 0.250 993 I C 1.159 177.213 176.117 -0.106 0.000 1.112 993 I CA 0.728 61.922 61.300 -0.176 0.000 1.438 993 I CB -0.702 37.100 38.000 -0.330 0.000 1.111 993 I HN 1.014 nan 8.210 nan 0.000 0.431 994 G N 0.457 109.222 108.800 -0.058 0.000 2.685 994 G HA2 0.176 4.146 3.960 0.018 0.000 0.387 994 G HA3 0.176 4.146 3.960 0.018 0.000 0.387 994 G C 0.324 175.230 174.900 0.011 0.000 1.324 994 G CA -0.247 44.862 45.100 0.014 0.000 0.878 994 G HN 1.202 nan 8.290 nan 0.000 0.527 995 G N -1.989 106.838 108.800 0.045 0.000 3.509 995 G HA2 0.065 4.036 3.960 0.018 0.000 0.220 995 G HA3 0.065 4.036 3.960 0.018 0.000 0.220 995 G C 0.687 175.664 174.900 0.129 0.000 0.951 995 G CA 1.015 46.153 45.100 0.063 0.000 0.844 995 G HN 0.963 nan 8.290 nan 0.000 0.568 996 D N 1.470 121.965 120.400 0.158 0.000 2.239 996 D HA 0.095 4.746 4.640 0.018 0.000 0.202 996 D C 0.743 177.101 176.300 0.097 0.000 0.993 996 D CA 2.189 56.335 54.000 0.242 0.000 0.874 996 D CB 0.085 41.011 40.800 0.211 0.000 0.922 996 D HN 0.764 nan 8.370 nan 0.000 0.464 997 D N -3.300 116.987 120.400 -0.188 0.000 2.720 997 D HA 0.141 4.792 4.640 0.018 0.000 0.239 997 D C -0.994 174.962 176.300 -0.573 0.000 1.218 997 D CA -0.717 52.819 54.000 -0.773 0.000 0.748 997 D CB 0.584 40.472 40.800 -1.519 0.000 1.387 997 D HN -0.253 nan 8.370 nan 0.000 0.438 998 S N 0.569 115.928 115.700 -0.569 0.000 2.562 998 S HA 0.290 4.771 4.470 0.018 0.000 0.246 998 S C -0.135 174.560 174.600 0.159 0.000 1.056 998 S CA -0.593 57.594 58.200 -0.022 0.000 1.042 998 S CB -0.785 62.611 63.200 0.326 0.000 0.822 998 S HN 0.653 nan 8.310 nan 0.000 0.465 999 W N 0.653 121.944 121.300 -0.015 0.000 2.355 999 W HA 0.502 5.173 4.660 0.017 0.000 0.303 999 W C 0.001 176.486 176.519 -0.055 0.000 0.939 999 W CA -0.130 57.175 57.345 -0.066 0.000 1.377 999 W CB -0.310 29.026 29.460 -0.208 0.000 1.048 999 W HN 0.221 nan 8.180 nan 0.000 0.542 1000 S N -0.572 115.048 115.700 -0.134 0.000 2.550 1000 S HA 0.598 5.079 4.470 0.018 0.000 0.270 1000 S C -3.067 171.485 174.600 -0.080 0.000 1.145 1000 S CA -1.703 56.455 58.200 -0.070 0.000 0.852 1000 S CB 1.564 64.752 63.200 -0.020 0.000 1.119 1000 S HN -0.205 nan 8.310 nan 0.000 0.465 1001 P HA 0.118 nan 4.420 nan 0.000 0.258 1001 P C 0.258 177.596 177.300 0.064 0.000 1.172 1001 P CA 0.217 63.331 63.100 0.023 0.000 0.762 1001 P CB 0.280 31.902 31.700 -0.130 0.000 0.764 1002 S N 0.982 116.750 115.700 0.114 0.000 2.855 1002 S HA 0.231 4.712 4.470 0.018 0.000 0.249 1002 S C 0.048 174.729 174.600 0.136 0.000 1.033 1002 S CA -0.459 57.791 58.200 0.082 0.000 1.038 1002 S CB -0.249 62.957 63.200 0.009 0.000 0.960 1002 S HN 0.136 nan 8.310 nan 0.000 0.548 1003 V N 3.640 123.683 119.914 0.215 0.000 2.370 1003 V HA 0.467 4.598 4.120 0.018 0.000 0.279 1003 V C 0.398 176.647 176.094 0.259 0.000 1.029 1003 V CA -0.568 61.864 62.300 0.219 0.000 0.870 1003 V CB 1.278 33.191 31.823 0.151 0.000 0.984 1003 V HN 0.654 nan 8.190 nan 0.000 0.451 1004 S N 4.139 120.009 115.700 0.283 0.000 2.564 1004 S HA 0.364 4.845 4.470 0.018 0.000 0.278 1004 S C 1.473 176.187 174.600 0.190 0.000 1.333 1004 S CA -0.010 58.326 58.200 0.227 0.000 1.048 1004 S CB 1.449 64.739 63.200 0.151 0.000 0.900 1004 S HN 1.029 nan 8.310 nan 0.000 0.505 1005 A N 2.158 125.047 122.820 0.114 0.000 1.997 1005 A HA -0.209 4.122 4.320 0.018 0.000 0.221 1005 A C 1.920 179.515 177.584 0.019 0.000 1.172 1005 A CA 1.930 54.028 52.037 0.101 0.000 0.645 1005 A CB -0.946 18.097 19.000 0.072 0.000 0.813 1005 A HN 0.933 nan 8.150 nan 0.000 0.454 1006 E N -0.909 119.202 120.200 -0.148 0.000 2.204 1006 E HA -0.107 4.253 4.350 0.018 0.000 0.195 1006 E C 1.068 177.485 176.600 -0.305 0.000 0.990 1006 E CA 1.184 57.373 56.400 -0.351 0.000 0.821 1006 E CB -0.342 28.911 29.700 -0.746 0.000 0.750 1006 E HN 0.798 nan 8.360 nan 0.000 0.477 1007 F N 0.766 120.750 119.950 0.058 0.000 2.660 1007 F HA 0.188 4.726 4.527 0.018 0.000 0.302 1007 F C 0.606 176.413 175.800 0.011 0.000 1.103 1007 F CA -0.501 57.526 58.000 0.046 0.000 1.340 1007 F CB 0.400 39.430 39.000 0.050 0.000 1.048 1007 F HN -0.153 nan 8.300 nan 0.000 0.551 1008 Q N 1.521 121.426 119.800 0.175 0.000 2.256 1008 Q HA 0.400 4.751 4.340 0.018 0.000 0.257 1008 Q C -0.333 175.694 176.000 0.046 0.000 0.936 1008 Q CA -0.659 55.212 55.803 0.114 0.000 0.903 1008 Q CB 2.189 31.079 28.738 0.254 0.000 1.263 1008 Q HN 0.286 nan 8.270 nan 0.000 0.440 1009 L N 1.831 123.051 121.223 -0.004 0.000 2.384 1009 L HA 0.149 4.499 4.340 0.018 0.000 0.258 1009 L C 0.802 177.625 176.870 -0.077 0.000 1.266 1009 L CA -0.193 54.634 54.840 -0.023 0.000 1.162 1009 L CB -0.579 41.331 42.059 -0.249 0.000 1.375 1009 L HN 0.616 nan 8.230 nan 0.000 0.420 1010 S N -0.567 115.027 115.700 -0.177 0.000 2.577 1010 S HA 0.162 4.643 4.470 0.018 0.000 0.219 1010 S C 1.764 176.244 174.600 -0.200 0.000 0.962 1010 S CA 0.153 58.096 58.200 -0.428 0.000 0.921 1010 S CB 0.625 63.609 63.200 -0.361 0.000 0.789 1010 S HN 0.592 nan 8.310 nan 0.000 0.497 1011 A N 1.767 124.467 122.820 -0.200 0.000 1.972 1011 A HA 0.400 4.730 4.320 0.018 0.000 0.219 1011 A C 2.132 179.484 177.584 -0.387 0.000 1.169 1011 A CA 1.579 53.330 52.037 -0.476 0.000 0.635 1011 A CB -1.317 17.144 19.000 -0.899 0.000 0.810 1011 A HN 1.422 nan 8.150 nan 0.000 0.446 1012 G N -1.452 107.196 108.800 -0.254 0.000 4.365 1012 G HA2 -0.291 3.680 3.960 0.018 0.000 0.214 1012 G HA3 -0.291 3.680 3.960 0.018 0.000 0.214 1012 G C 0.445 175.273 174.900 -0.119 0.000 1.450 1012 G CA 0.373 45.422 45.100 -0.085 0.000 0.937 1012 G HN 0.670 nan 8.290 nan 0.000 0.625 1013 R N 0.584 120.920 120.500 -0.274 0.000 2.265 1013 R HA 0.720 5.071 4.340 0.018 0.000 0.314 1013 R C -1.113 174.905 176.300 -0.469 0.000 1.053 1013 R CA -0.033 55.943 56.100 -0.207 0.000 0.931 1013 R CB 0.426 30.657 30.300 -0.116 0.000 1.024 1013 R HN 0.467 nan 8.270 nan 0.000 0.457 1014 Y N 1.003 121.333 120.300 0.049 0.000 2.457 1014 Y HA 0.308 4.869 4.550 0.018 0.000 0.343 1014 Y C -0.517 175.603 175.900 0.366 0.000 0.994 1014 Y CA -0.945 57.190 58.100 0.059 0.000 1.031 1014 Y CB 2.109 40.486 38.460 -0.138 0.000 1.246 1014 Y HN 0.620 nan 8.280 nan 0.000 0.449 1015 H N 3.143 122.586 119.070 0.622 0.000 2.717 1015 H HA 0.631 5.198 4.556 0.018 0.000 0.366 1015 H C -1.781 173.894 175.328 0.577 0.000 1.132 1015 H CA -0.848 55.494 56.048 0.489 0.000 1.180 1015 H CB 1.500 31.428 29.762 0.275 0.000 1.678 1015 H HN 0.586 nan 8.280 nan 0.000 0.537 1016 Y N 1.987 122.017 120.300 -0.451 0.000 2.592 1016 Y HA 0.410 4.971 4.550 0.018 0.000 0.334 1016 Y C -2.021 173.659 175.900 -0.367 0.000 1.136 1016 Y CA -1.068 56.841 58.100 -0.318 0.000 1.042 1016 Y CB 1.321 39.639 38.460 -0.236 0.000 1.325 1016 Y HN 0.835 nan 8.280 nan 0.000 0.457 1017 Q N 3.606 123.355 119.800 -0.086 0.000 2.377 1017 Q HA 0.758 5.109 4.340 0.018 0.000 0.279 1017 Q C -2.463 173.571 176.000 0.056 0.000 1.049 1017 Q CA -1.011 54.737 55.803 -0.092 0.000 0.825 1017 Q CB 3.121 31.843 28.738 -0.027 0.000 1.401 1017 Q HN 0.911 nan 8.270 nan 0.000 0.404 1018 L N 1.993 123.234 121.223 0.030 0.000 2.354 1018 L HA 0.735 5.086 4.340 0.018 0.000 0.264 1018 L C -1.193 175.768 176.870 0.153 0.000 1.008 1018 L CA -1.395 53.514 54.840 0.116 0.000 0.819 1018 L CB 2.628 44.734 42.059 0.078 0.000 1.339 1018 L HN 0.617 nan 8.230 nan 0.000 0.420 1019 V N 1.829 121.871 119.914 0.213 0.000 2.409 1019 V HA 0.335 4.466 4.120 0.018 0.000 0.290 1019 V C -1.197 175.073 176.094 0.293 0.000 1.017 1019 V CA -0.425 62.010 62.300 0.224 0.000 0.841 1019 V CB 2.063 33.990 31.823 0.174 0.000 1.003 1019 V HN 0.559 nan 8.190 nan 0.000 0.426 1020 W N 7.490 128.867 121.300 0.129 0.000 2.376 1020 W HA 0.711 5.382 4.660 0.018 0.000 0.312 1020 W C -0.172 176.376 176.519 0.049 0.000 1.060 1020 W CA -1.062 56.321 57.345 0.063 0.000 1.221 1020 W CB 1.341 30.900 29.460 0.165 0.000 1.281 1020 W HN 0.819 nan 8.180 nan 0.000 0.456 1021 C N 4.269 123.900 119.300 0.552 0.000 3.336 1021 C HA 0.766 5.237 4.460 0.018 0.000 0.339 1021 C C -0.644 174.460 174.990 0.189 0.000 1.468 1021 C CA -0.657 58.535 59.018 0.290 0.000 1.287 1021 C CB 1.542 29.381 27.740 0.165 0.000 1.682 1021 C HN 0.574 nan 8.230 nan 0.000 0.451 1022 Q N 0.624 120.462 119.800 0.064 0.000 2.699 1022 Q HA 0.871 5.222 4.340 0.018 0.000 0.240 1022 Q C -0.756 175.208 176.000 -0.061 0.000 1.033 1022 Q CA -0.360 55.410 55.803 -0.055 0.000 0.938 1022 Q CB 1.050 29.728 28.738 -0.101 0.000 1.312 1022 Q HN 0.781 nan 8.270 nan 0.000 0.507 1023 K N 0.000 120.337 120.400 -0.105 0.000 2.780 1023 K HA 0.000 4.331 4.320 0.018 0.000 0.191 1023 K CA 0.000 56.238 56.287 -0.082 0.000 0.838 1023 K CB 0.000 32.453 32.500 -0.078 0.000 1.064 1023 K HN 0.000 nan 8.250 nan 0.000 0.543