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 3i3d_1_D DATA FIRST_RESID 13 DATA SEQUENCE RRDWENPGVT QLNRLAAHPP FASWRNSEEA RTDRPSQQLR SLNGEWRFAW DATA SEQUENCE FPAPEAVPES WLECDLPEAD TVVVPSNWQM HGYDAPIYTN VTYPITVNPP DATA SEQUENCE FVPTENPTGC YSLTFNVDES WLQEGQTRII FDGVNSAFHL WCNGRWVGYG DATA SEQUENCE QDSRLPSEFD LSAFLRAGEN RLAVMVLRWS DGSYLEDQDM WRMSGIFRDV DATA SEQUENCE SLLHKPTTQI SDFHVATRFN DDFSRAVLEA EVQMCGELRD YLRVTVSLWQ DATA SEQUENCE GETQVASGTA PFGGEIIDER GGYADRVTLR LNVENPKLWS AEIPNLYRAV DATA SEQUENCE VELHTADGTL IEAEACDVGF REVRIENGLL LLNGKPLLIR GVNRHEHHPL DATA SEQUENCE HGQVMDEQTM VQDILLMKQN NFNAVRCSHY PNHPLWYTLC DRYGLYVVDE DATA SEQUENCE ANIETHGMVP MNRLTDDPRW LPAMSERVTR MVQRDRNHPS VIIWSLGNES DATA SEQUENCE GHGANHDALY RWIKSVDPSR PVQYEGGGAD TTATDIICPM YARVDEDQPF DATA SEQUENCE PAVPKWSIKK WLSLPGETRP LILCEYAHAA GNSLGGFAKY WQAFRQYPRL DATA SEQUENCE QGGFVWDWVD QSLIKYDENG NPWSAYGGDF GDTPNDRQFC MNGLVFADRT DATA SEQUENCE PHPALTEAKH QQQFFQFRLS GQTIEVTSEY LFRHSDNELL HWMVALDGKP DATA SEQUENCE LASGEVPLDV APQGKQLIEL PELPQPESAG QLWLTVRVVQ PNATAWSEAG DATA SEQUENCE HISAWQQWRL AENLSVTLPA ASHAIPHLTT SEMDFCIELG NKRWQFNRQS DATA SEQUENCE GFLSQMWIGD KKQLLTPLRD QFTRAPLDND IGVSEATRID PNAWVERWKA DATA SEQUENCE AGHYQAEAAL LQCTADTLAD AVLITTAHAW QHQGKTLFIS RKTYRIDGSG DATA SEQUENCE QMAITVDVEV ASDTPHPARI GLNCQLAQVA ERVNWLGLGP QENYPDRLTA DATA SEQUENCE ACFDRWDLPL SDMYTPYVFP SENGLRCGTR ELNYGPHQWR GDFQFNISRY DATA SEQUENCE SQQQLMETSH RHLLHAEEGT WLNIDGFHMG IGGDDSWSPS VSAEFQLSAG DATA SEQUENCE 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 13 R HA 0.000 nan 4.340 nan 0.000 0.208 13 R C 0.000 176.090 176.300 -0.350 0.000 0.893 13 R CA 0.000 55.966 56.100 -0.223 0.000 0.921 13 R CB 0.000 30.172 30.300 -0.213 0.000 0.687 14 R N 1.947 122.133 120.500 -0.523 0.000 3.127 14 R HA -0.148 4.192 4.340 -0.000 0.000 0.247 14 R C -0.354 175.426 176.300 -0.866 0.000 0.896 14 R CA 0.821 56.194 56.100 -1.212 0.000 0.624 14 R CB -1.211 28.500 30.300 -0.981 0.000 1.154 14 R HN 0.248 nan 8.270 nan 0.000 0.474 15 D N -0.084 120.013 120.400 -0.504 0.000 2.309 15 D HA -0.160 4.480 4.640 -0.000 0.000 0.212 15 D C 1.571 177.790 176.300 -0.135 0.000 0.968 15 D CA 1.511 55.288 54.000 -0.372 0.000 0.882 15 D CB -0.077 40.317 40.800 -0.676 0.000 0.918 15 D HN 0.734 nan 8.370 nan 0.000 0.503 16 W N 1.182 122.483 121.300 0.002 0.000 3.292 16 W HA 0.241 4.901 4.660 -0.000 0.000 0.263 16 W C 0.461 177.064 176.519 0.140 0.000 1.318 16 W CA -0.304 57.147 57.345 0.177 0.000 1.663 16 W CB -0.151 29.458 29.460 0.248 0.000 1.114 16 W HN -0.209 nan 8.180 nan 0.000 0.706 17 E N 1.023 121.098 120.200 -0.208 0.000 3.306 17 E HA 0.044 4.394 4.350 -0.000 0.000 0.197 17 E C -0.901 175.530 176.600 -0.281 0.000 0.980 17 E CA -0.218 56.065 56.400 -0.195 0.000 1.259 17 E CB -0.129 29.410 29.700 -0.268 0.000 1.112 17 E HN 0.050 nan 8.360 nan 0.000 0.458 18 N N 1.150 119.726 118.700 -0.207 0.000 2.594 18 N HA 0.132 4.872 4.740 -0.000 0.000 0.280 18 N C -2.276 173.090 175.510 -0.241 0.000 1.156 18 N CA -1.838 51.058 53.050 -0.256 0.000 0.831 18 N CB 1.454 39.801 38.487 -0.233 0.000 1.379 18 N HN -0.181 nan 8.380 nan 0.000 0.536 19 P HA 0.052 nan 4.420 nan 0.000 0.234 19 P C 0.923 177.993 177.300 -0.384 0.000 1.167 19 P CA 0.540 63.323 63.100 -0.530 0.000 0.763 19 P CB 0.158 31.061 31.700 -1.328 0.000 0.835 20 G N -0.316 108.301 108.800 -0.306 0.000 2.712 20 G HA2 0.084 4.043 3.960 -0.000 0.000 0.212 20 G HA3 0.084 4.043 3.960 -0.000 0.000 0.212 20 G C 0.342 175.165 174.900 -0.128 0.000 1.142 20 G CA 0.152 45.123 45.100 -0.215 0.000 0.789 20 G HN 0.203 nan 8.290 nan 0.000 0.535 21 V N 1.689 121.546 119.914 -0.095 0.000 2.349 21 V HA 0.300 4.420 4.120 -0.000 0.000 0.284 21 V C 0.807 176.952 176.094 0.085 0.000 1.014 21 V CA 0.077 62.372 62.300 -0.008 0.000 0.826 21 V CB 1.217 33.023 31.823 -0.029 0.000 1.009 21 V HN 0.309 nan 8.190 nan 0.000 0.431 22 T N 0.525 115.121 114.554 0.070 0.000 3.054 22 T HA 0.385 4.735 4.350 -0.000 0.000 0.255 22 T C 0.240 174.968 174.700 0.047 0.000 1.035 22 T CA 0.086 62.228 62.100 0.069 0.000 0.941 22 T CB 0.302 69.169 68.868 -0.001 0.000 1.026 22 T HN 0.706 nan 8.240 nan 0.000 0.533 23 Q N 0.259 120.137 119.800 0.129 0.000 2.848 23 Q HA 0.631 4.971 4.340 -0.000 0.000 0.288 23 Q C -2.358 173.763 176.000 0.203 0.000 0.907 23 Q CA -1.004 54.865 55.803 0.110 0.000 0.792 23 Q CB 0.605 29.326 28.738 -0.028 0.000 1.534 23 Q HN 0.224 nan 8.270 nan 0.000 0.419 24 L N 1.864 123.231 121.223 0.241 0.000 2.476 24 L HA 0.593 4.933 4.340 -0.000 0.000 0.269 24 L C -0.581 176.405 176.870 0.193 0.000 0.965 24 L CA -0.843 54.149 54.840 0.254 0.000 0.845 24 L CB 1.839 44.168 42.059 0.449 0.000 1.259 24 L HN 0.854 nan 8.230 nan 0.000 0.403 25 N N 0.849 119.634 118.700 0.141 0.000 2.753 25 N HA -0.212 4.528 4.740 -0.000 0.000 0.251 25 N C 0.309 175.884 175.510 0.109 0.000 1.097 25 N CA 0.862 53.985 53.050 0.122 0.000 0.786 25 N CB -0.755 37.777 38.487 0.075 0.000 1.137 25 N HN 0.671 nan 8.380 nan 0.000 0.566 26 R N 0.955 121.442 120.500 -0.022 0.000 2.543 26 R HA 0.354 4.694 4.340 -0.000 0.000 0.277 26 R C 0.522 176.674 176.300 -0.247 0.000 1.074 26 R CA -0.232 55.628 56.100 -0.400 0.000 1.076 26 R CB 0.496 30.552 30.300 -0.407 0.000 0.993 26 R HN 0.134 nan 8.270 nan 0.000 0.459 27 L N 2.898 123.944 121.223 -0.296 0.000 2.456 27 L HA 0.345 4.685 4.340 -0.000 0.000 0.257 27 L C 0.602 177.415 176.870 -0.096 0.000 1.162 27 L CA -0.695 54.068 54.840 -0.127 0.000 0.808 27 L CB 0.947 42.959 42.059 -0.078 0.000 1.136 27 L HN 0.776 nan 8.230 nan 0.000 0.466 28 A N 1.315 124.121 122.820 -0.024 0.000 2.483 28 A HA 0.476 4.796 4.320 -0.000 0.000 0.238 28 A C 0.329 177.923 177.584 0.016 0.000 1.070 28 A CA 0.012 52.046 52.037 -0.006 0.000 0.770 28 A CB 0.152 19.170 19.000 0.029 0.000 1.008 28 A HN 0.794 nan 8.150 nan 0.000 0.497 29 A N 1.447 124.232 122.820 -0.058 0.000 2.366 29 A HA 0.666 4.986 4.320 -0.000 0.000 0.249 29 A C 0.134 177.640 177.584 -0.130 0.000 1.084 29 A CA 0.568 52.503 52.037 -0.171 0.000 0.794 29 A CB -0.081 18.814 19.000 -0.175 0.000 1.034 29 A HN 1.988 nan 8.150 nan 0.000 0.491 30 H N -2.514 116.401 119.070 -0.258 0.000 2.935 30 H HA 0.603 5.159 4.556 -0.000 0.000 0.297 30 H C -3.448 171.575 175.328 -0.507 0.000 1.423 30 H CA -1.714 54.113 56.048 -0.370 0.000 1.161 30 H CB -0.008 29.453 29.762 -0.502 0.000 1.841 30 H HN 0.378 nan 8.280 nan 0.000 0.506 31 P HA 0.209 nan 4.420 nan 0.000 0.272 31 P C -2.582 174.478 177.300 -0.400 0.000 1.240 31 P CA -1.284 61.557 63.100 -0.430 0.000 0.791 31 P CB -0.121 31.251 31.700 -0.547 0.000 0.978 32 P HA 0.024 nan 4.420 nan 0.000 0.261 32 P C -0.839 176.635 177.300 0.291 0.000 1.183 32 P CA 1.132 64.236 63.100 0.007 0.000 0.761 32 P CB -0.127 31.629 31.700 0.093 0.000 0.785 33 F N 1.545 121.585 119.950 0.150 0.000 2.522 33 F HA 0.582 5.109 4.527 -0.000 0.000 0.324 33 F C 0.988 176.716 175.800 -0.119 0.000 1.077 33 F CA -0.975 57.063 58.000 0.063 0.000 0.944 33 F CB 2.179 41.182 39.000 0.004 0.000 1.175 33 F HN 0.228 nan 8.300 nan 0.000 0.468 34 A N 0.721 123.464 122.820 -0.128 0.000 2.474 34 A HA 0.228 4.548 4.320 -0.000 0.000 0.221 34 A C 0.677 177.946 177.584 -0.525 0.000 1.298 34 A CA 0.455 52.154 52.037 -0.564 0.000 1.008 34 A CB -0.057 18.046 19.000 -1.495 0.000 1.217 34 A HN 0.782 nan 8.150 nan 0.000 0.553 35 S N 0.336 115.852 115.700 -0.307 0.000 3.524 35 S HA -0.143 4.327 4.470 -0.000 0.000 0.377 35 S C -0.073 174.459 174.600 -0.115 0.000 0.949 35 S CA 0.389 58.472 58.200 -0.195 0.000 1.264 35 S CB -1.628 61.448 63.200 -0.207 0.000 0.918 35 S HN 0.454 nan 8.310 nan 0.000 0.517 36 W N 1.855 123.141 121.300 -0.024 0.000 2.150 36 W HA 0.312 4.972 4.660 -0.000 0.000 0.341 36 W C 1.352 177.860 176.519 -0.018 0.000 1.276 36 W CA -0.624 56.716 57.345 -0.008 0.000 1.238 36 W CB 0.314 29.767 29.460 -0.012 0.000 1.128 36 W HN 0.349 nan 8.180 nan 0.000 0.581 37 R N 1.663 122.308 120.500 0.242 0.000 2.543 37 R HA 0.100 4.440 4.340 -0.000 0.000 0.323 37 R C -0.167 176.199 176.300 0.110 0.000 1.002 37 R CA -0.143 56.038 56.100 0.135 0.000 1.106 37 R CB -0.195 30.167 30.300 0.102 0.000 1.280 37 R HN 0.366 nan 8.270 nan 0.000 0.549 38 N N 0.007 118.782 118.700 0.125 0.000 2.454 38 N HA 0.117 4.857 4.740 -0.000 0.000 0.291 38 N C -0.073 175.408 175.510 -0.047 0.000 1.079 38 N CA 0.016 53.088 53.050 0.038 0.000 0.893 38 N CB 1.817 40.329 38.487 0.041 0.000 1.512 38 N HN -0.253 nan 8.380 nan 0.000 0.497 39 S N 2.277 117.929 115.700 -0.081 0.000 2.382 39 S HA -0.157 4.313 4.470 -0.000 0.000 0.228 39 S C 1.390 175.820 174.600 -0.282 0.000 1.027 39 S CA 1.130 59.237 58.200 -0.156 0.000 0.991 39 S CB -0.013 63.127 63.200 -0.101 0.000 0.823 39 S HN 0.694 nan 8.310 nan 0.000 0.469 40 E N 1.491 121.546 120.200 -0.241 0.000 2.077 40 E HA -0.133 4.217 4.350 -0.000 0.000 0.193 40 E C 1.965 178.355 176.600 -0.350 0.000 0.989 40 E CA 1.129 57.352 56.400 -0.296 0.000 0.800 40 E CB -0.165 29.420 29.700 -0.191 0.000 0.746 40 E HN 0.302 nan 8.360 nan 0.000 0.452 41 E N -0.070 119.940 120.200 -0.316 0.000 2.106 41 E HA -0.116 4.234 4.350 -0.000 0.000 0.192 41 E C 1.940 177.978 176.600 -0.936 0.000 0.984 41 E CA 1.055 57.230 56.400 -0.373 0.000 0.806 41 E CB -0.441 29.200 29.700 -0.098 0.000 0.750 41 E HN 0.348 nan 8.360 nan 0.000 0.458 42 A N 1.510 123.599 122.820 -1.218 0.000 1.898 42 A HA -0.175 4.145 4.320 -0.000 0.000 0.216 42 A C 2.248 179.231 177.584 -1.002 0.000 1.181 42 A CA 1.606 52.598 52.037 -1.742 0.000 0.620 42 A CB -0.464 18.005 19.000 -0.886 0.000 0.819 42 A HN 0.146 nan 8.150 nan 0.000 0.442 43 R N -0.147 119.946 120.500 -0.678 0.000 2.073 43 R HA -0.139 4.201 4.340 -0.000 0.000 0.234 43 R C 2.139 178.173 176.300 -0.443 0.000 1.134 43 R CA 2.189 57.940 56.100 -0.581 0.000 0.952 43 R CB -0.547 29.275 30.300 -0.797 0.000 0.850 43 R HN 0.617 nan 8.270 nan 0.000 0.433 44 T N -2.474 111.837 114.554 -0.404 0.000 3.118 44 T HA -0.027 4.323 4.350 -0.000 0.000 0.260 44 T C 0.444 175.047 174.700 -0.162 0.000 1.139 44 T CA 0.772 62.724 62.100 -0.246 0.000 1.085 44 T CB -0.112 68.641 68.868 -0.192 0.000 0.934 44 T HN 0.453 nan 8.240 nan 0.000 0.518 45 D N 0.538 120.793 120.400 -0.242 0.000 2.870 45 D HA -0.167 4.473 4.640 -0.000 0.000 0.228 45 D C 0.086 176.495 176.300 0.182 0.000 1.147 45 D CA 0.439 54.433 54.000 -0.011 0.000 0.757 45 D CB -1.146 39.699 40.800 0.074 0.000 1.091 45 D HN 0.584 nan 8.370 nan 0.000 0.429 46 R N -0.138 120.439 120.500 0.129 0.000 2.649 46 R HA 0.481 4.821 4.340 -0.000 0.000 0.270 46 R C -2.085 174.459 176.300 0.408 0.000 1.105 46 R CA -1.361 54.860 56.100 0.202 0.000 1.193 46 R CB 0.148 30.512 30.300 0.106 0.000 1.120 46 R HN 0.076 nan 8.270 nan 0.000 0.561 47 P HA -0.059 nan 4.420 nan 0.000 0.267 47 P C -0.879 176.577 177.300 0.260 0.000 1.200 47 P CA 0.368 63.603 63.100 0.226 0.000 0.772 47 P CB 0.673 32.457 31.700 0.140 0.000 0.855 48 S N 1.410 117.145 115.700 0.058 0.000 2.478 48 S HA 0.137 4.607 4.470 -0.000 0.000 0.312 48 S C 0.906 175.514 174.600 0.013 0.000 1.094 48 S CA -0.561 57.597 58.200 -0.070 0.000 1.081 48 S CB 0.546 63.362 63.200 -0.640 0.000 1.007 48 S HN 0.233 nan 8.310 nan 0.000 0.475 49 Q N 2.752 122.607 119.800 0.091 0.000 2.291 49 Q HA -0.073 4.267 4.340 -0.000 0.000 0.206 49 Q C 1.034 177.183 176.000 0.248 0.000 0.976 49 Q CA 1.354 57.249 55.803 0.153 0.000 0.875 49 Q CB -0.115 28.721 28.738 0.163 0.000 0.927 49 Q HN 0.715 nan 8.270 nan 0.000 0.450 50 Q N -0.293 119.584 119.800 0.130 0.000 2.444 50 Q HA 0.078 4.418 4.340 -0.000 0.000 0.206 50 Q C -0.111 175.917 176.000 0.048 0.000 0.948 50 Q CA 0.178 56.024 55.803 0.071 0.000 0.946 50 Q CB 0.263 28.948 28.738 -0.089 0.000 1.027 50 Q HN 0.056 nan 8.270 nan 0.000 0.513 51 L N 0.827 122.086 121.223 0.060 0.000 2.318 51 L HA 0.408 4.748 4.340 -0.000 0.000 0.277 51 L C -1.092 175.847 176.870 0.115 0.000 1.008 51 L CA -0.321 54.546 54.840 0.044 0.000 0.846 51 L CB 0.937 42.945 42.059 -0.084 0.000 1.220 51 L HN -0.130 nan 8.230 nan 0.000 0.423 52 R N 2.570 123.180 120.500 0.183 0.000 2.460 52 R HA 0.539 4.879 4.340 -0.000 0.000 0.303 52 R C -0.545 175.785 176.300 0.051 0.000 0.968 52 R CA -0.608 55.566 56.100 0.124 0.000 0.889 52 R CB 1.952 32.334 30.300 0.137 0.000 1.123 52 R HN 0.662 nan 8.270 nan 0.000 0.455 53 S N 2.730 118.448 115.700 0.030 0.000 2.499 53 S HA 0.263 4.733 4.470 -0.000 0.000 0.279 53 S C 0.641 175.247 174.600 0.011 0.000 1.219 53 S CA -0.623 57.586 58.200 0.015 0.000 1.062 53 S CB 0.533 63.751 63.200 0.030 0.000 0.978 53 S HN 0.568 nan 8.310 nan 0.000 0.489 54 L N 3.865 125.097 121.223 0.014 0.000 2.818 54 L HA 0.287 4.627 4.340 -0.000 0.000 0.243 54 L C 0.184 177.218 176.870 0.273 0.000 1.185 54 L CA -0.341 54.531 54.840 0.053 0.000 0.988 54 L CB -0.255 41.782 42.059 -0.037 0.000 1.292 54 L HN 0.534 nan 8.230 nan 0.000 0.519 55 N N 1.271 120.076 118.700 0.175 0.000 2.508 55 N HA 0.470 5.210 4.740 -0.000 0.000 0.264 55 N C 0.620 176.267 175.510 0.229 0.000 1.216 55 N CA 0.907 54.068 53.050 0.185 0.000 0.943 55 N CB 1.478 40.002 38.487 0.063 0.000 1.113 55 N HN 0.298 nan 8.380 nan 0.000 0.447 56 G N 0.621 109.579 108.800 0.263 0.000 2.288 56 G HA2 -0.068 3.892 3.960 -0.000 0.000 0.227 56 G HA3 -0.068 3.892 3.960 -0.000 0.000 0.227 56 G C -1.587 173.531 174.900 0.363 0.000 1.339 56 G CA -0.786 44.459 45.100 0.242 0.000 1.057 56 G HN 0.461 nan 8.290 nan 0.000 0.470 57 E N -0.047 120.338 120.200 0.308 0.000 2.259 57 E HA 0.474 4.824 4.350 -0.000 0.000 0.281 57 E C -0.977 175.897 176.600 0.457 0.000 1.037 57 E CA -0.083 56.511 56.400 0.324 0.000 0.854 57 E CB 1.132 30.941 29.700 0.181 0.000 1.051 57 E HN 0.363 nan 8.360 nan 0.000 0.409 58 W N 1.335 122.727 121.300 0.153 0.000 3.021 58 W HA 0.402 5.062 4.660 -0.000 0.000 0.337 58 W C -0.039 176.603 176.519 0.205 0.000 1.171 58 W CA -0.767 56.700 57.345 0.203 0.000 1.060 58 W CB 0.809 30.445 29.460 0.293 0.000 1.472 58 W HN 0.164 nan 8.180 nan 0.000 0.594 59 R N 1.630 122.419 120.500 0.481 0.000 2.294 59 R HA 0.514 4.854 4.340 -0.000 0.000 0.319 59 R C -1.494 175.034 176.300 0.380 0.000 0.984 59 R CA -0.822 55.487 56.100 0.347 0.000 0.861 59 R CB 0.936 31.395 30.300 0.266 0.000 1.104 59 R HN 0.432 nan 8.270 nan 0.000 0.451 60 F N 0.972 120.945 119.950 0.039 0.000 2.565 60 F HA 0.675 5.202 4.527 -0.000 0.000 0.313 60 F C -1.327 174.317 175.800 -0.259 0.000 1.091 60 F CA -0.703 57.166 58.000 -0.219 0.000 0.915 60 F CB 2.003 40.745 39.000 -0.429 0.000 1.208 60 F HN 0.596 nan 8.300 nan 0.000 0.453 61 A N 4.830 126.858 122.820 -1.319 0.000 2.427 61 A HA 0.534 4.854 4.320 -0.000 0.000 0.298 61 A C -2.315 174.350 177.584 -1.531 0.000 1.036 61 A CA -0.505 50.886 52.037 -1.076 0.000 0.701 61 A CB 0.568 19.231 19.000 -0.562 0.000 1.250 61 A HN 0.938 nan 8.150 nan 0.000 0.412 62 W N 2.713 123.182 121.300 -1.385 0.000 2.438 62 W HA 0.756 5.416 4.660 -0.000 0.000 0.324 62 W C -1.681 174.221 176.519 -1.027 0.000 1.119 62 W CA -0.246 56.452 57.345 -1.078 0.000 1.221 62 W CB 0.987 30.113 29.460 -0.557 0.000 1.253 62 W HN 0.501 nan 8.180 nan 0.000 0.555 63 F N 5.399 124.589 119.950 -1.267 0.000 2.599 63 F HA 0.359 4.886 4.527 -0.000 0.000 0.311 63 F C -1.349 173.458 175.800 -1.655 0.000 1.076 63 F CA -2.094 55.283 58.000 -1.039 0.000 0.937 63 F CB 2.004 40.590 39.000 -0.689 0.000 1.282 63 F HN 0.205 nan 8.300 nan 0.000 0.460 64 P HA 0.199 nan 4.420 nan 0.000 0.245 64 P C -0.434 176.733 177.300 -0.221 0.000 1.206 64 P CA 0.689 63.503 63.100 -0.477 0.000 0.781 64 P CB 0.913 32.610 31.700 -0.006 0.000 0.994 65 A N 0.197 122.884 122.820 -0.223 0.000 2.583 65 A HA 0.475 4.795 4.320 -0.000 0.000 0.292 65 A C -2.527 174.940 177.584 -0.196 0.000 1.045 65 A CA -0.865 51.093 52.037 -0.132 0.000 0.672 65 A CB 0.322 19.313 19.000 -0.015 0.000 1.283 65 A HN -0.283 nan 8.150 nan 0.000 0.419 66 P HA -0.093 nan 4.420 nan 0.000 0.222 66 P C 0.545 177.746 177.300 -0.165 0.000 1.147 66 P CA 1.375 64.327 63.100 -0.246 0.000 0.790 66 P CB 0.297 31.798 31.700 -0.331 0.000 0.780 67 E N 0.048 120.206 120.200 -0.071 0.000 2.427 67 E HA 0.065 4.415 4.350 -0.000 0.000 0.196 67 E C 1.918 178.458 176.600 -0.099 0.000 1.028 67 E CA 0.680 57.055 56.400 -0.042 0.000 0.864 67 E CB -0.593 29.122 29.700 0.025 0.000 0.813 67 E HN 0.239 nan 8.360 nan 0.000 0.514 68 A N 0.294 123.019 122.820 -0.159 0.000 2.308 68 A HA 0.135 4.455 4.320 -0.000 0.000 0.217 68 A C 0.555 177.889 177.584 -0.418 0.000 1.216 68 A CA -0.209 51.740 52.037 -0.147 0.000 0.864 68 A CB 0.367 19.365 19.000 -0.004 0.000 0.902 68 A HN 0.037 nan 8.150 nan 0.000 0.499 69 V N 3.650 123.167 119.914 -0.662 0.000 2.405 69 V HA 0.173 4.293 4.120 -0.000 0.000 0.264 69 V C -2.066 173.725 176.094 -0.506 0.000 1.048 69 V CA -1.525 60.149 62.300 -1.043 0.000 0.966 69 V CB 0.493 31.768 31.823 -0.913 0.000 1.015 69 V HN 0.362 nan 8.190 nan 0.000 0.477 70 P HA 0.105 nan 4.420 nan 0.000 0.267 70 P C 0.456 177.710 177.300 -0.077 0.000 1.209 70 P CA -0.122 62.898 63.100 -0.133 0.000 0.763 70 P CB 0.971 32.654 31.700 -0.029 0.000 0.816 71 E N 1.945 122.103 120.200 -0.070 0.000 2.401 71 E HA -0.120 4.230 4.350 -0.000 0.000 0.199 71 E C 1.732 178.296 176.600 -0.059 0.000 1.023 71 E CA 1.202 57.558 56.400 -0.072 0.000 0.859 71 E CB -0.511 29.149 29.700 -0.067 0.000 0.780 71 E HN 0.607 nan 8.360 nan 0.000 0.523 72 S N -0.315 115.375 115.700 -0.015 0.000 2.428 72 S HA -0.151 4.319 4.470 -0.000 0.000 0.230 72 S C 1.773 176.375 174.600 0.003 0.000 1.014 72 S CA 0.442 58.636 58.200 -0.010 0.000 0.957 72 S CB -0.632 62.578 63.200 0.016 0.000 0.784 72 S HN 0.466 nan 8.310 nan 0.000 0.499 73 W N 2.601 123.811 121.300 -0.151 0.000 2.331 73 W HA -0.049 4.610 4.660 -0.000 0.000 0.291 73 W C 1.565 177.973 176.519 -0.184 0.000 1.214 73 W CA 1.109 58.365 57.345 -0.149 0.000 1.228 73 W CB -0.439 28.906 29.460 -0.192 0.000 1.135 73 W HN 0.285 nan 8.180 nan 0.000 0.537 74 L N 0.197 121.148 121.223 -0.454 0.000 2.093 74 L HA -0.178 4.162 4.340 -0.000 0.000 0.208 74 L C 2.498 179.114 176.870 -0.423 0.000 1.085 74 L CA 1.368 55.796 54.840 -0.687 0.000 0.755 74 L CB -0.767 40.924 42.059 -0.613 0.000 0.904 74 L HN -0.071 nan 8.230 nan 0.000 0.435 75 E N -0.648 119.401 120.200 -0.252 0.000 2.140 75 E HA 0.012 4.362 4.350 -0.000 0.000 0.191 75 E C 0.596 177.118 176.600 -0.129 0.000 0.973 75 E CA 0.644 56.952 56.400 -0.154 0.000 0.829 75 E CB 0.304 29.948 29.700 -0.093 0.000 0.781 75 E HN 0.535 nan 8.360 nan 0.000 0.466 76 C N -0.497 118.734 119.300 -0.116 0.000 3.173 76 C HA 0.529 4.989 4.460 -0.000 0.000 0.310 76 C C -0.269 174.708 174.990 -0.021 0.000 1.306 76 C CA -1.618 57.360 59.018 -0.066 0.000 1.426 76 C CB 1.088 28.809 27.740 -0.031 0.000 1.800 76 C HN 0.124 nan 8.230 nan 0.000 0.470 77 D N 0.693 121.102 120.400 0.014 0.000 2.525 77 D HA 0.250 4.890 4.640 -0.000 0.000 0.235 77 D C -0.213 176.157 176.300 0.116 0.000 1.137 77 D CA 0.330 54.382 54.000 0.086 0.000 0.868 77 D CB 0.493 41.336 40.800 0.071 0.000 1.180 77 D HN 0.598 nan 8.370 nan 0.000 0.465 78 L N 6.529 127.864 121.223 0.187 0.000 2.315 78 L HA 0.215 4.555 4.340 -0.000 0.000 0.283 78 L C -0.956 175.971 176.870 0.094 0.000 1.089 78 L CA -1.389 53.540 54.840 0.148 0.000 0.833 78 L CB 1.159 43.324 42.059 0.177 0.000 1.170 78 L HN 0.549 nan 8.230 nan 0.000 0.442 79 P HA -0.225 nan 4.420 nan 0.000 0.218 79 P C 0.815 178.139 177.300 0.040 0.000 1.146 79 P CA 1.309 64.438 63.100 0.048 0.000 0.813 79 P CB 0.167 31.889 31.700 0.037 0.000 0.778 80 E N 0.254 120.473 120.200 0.031 0.000 2.358 80 E HA 0.044 4.394 4.350 -0.000 0.000 0.195 80 E C 1.031 177.635 176.600 0.007 0.000 1.010 80 E CA 0.088 56.495 56.400 0.011 0.000 0.856 80 E CB -0.874 28.819 29.700 -0.011 0.000 0.795 80 E HN 0.098 nan 8.360 nan 0.000 0.504 81 A N 1.649 124.478 122.820 0.014 0.000 2.448 81 A HA 0.087 4.407 4.320 -0.000 0.000 0.239 81 A C -0.009 177.619 177.584 0.073 0.000 1.080 81 A CA 0.061 52.104 52.037 0.010 0.000 0.779 81 A CB 0.220 19.241 19.000 0.036 0.000 1.026 81 A HN 0.111 nan 8.150 nan 0.000 0.499 82 D N -0.493 119.981 120.400 0.123 0.000 2.442 82 D HA 0.495 5.135 4.640 -0.000 0.000 0.254 82 D C -0.646 175.761 176.300 0.179 0.000 1.069 82 D CA -0.008 54.089 54.000 0.160 0.000 1.017 82 D CB 1.270 42.211 40.800 0.236 0.000 1.172 82 D HN 0.398 nan 8.370 nan 0.000 0.561 83 T N 0.595 115.240 114.554 0.152 0.000 2.749 83 T HA 0.486 4.836 4.350 -0.000 0.000 0.287 83 T C 0.038 174.825 174.700 0.144 0.000 0.970 83 T CA -0.566 61.630 62.100 0.160 0.000 0.980 83 T CB 0.690 69.629 68.868 0.119 0.000 0.924 83 T HN 0.264 nan 8.240 nan 0.000 0.456 84 V N 1.462 121.490 119.914 0.189 0.000 3.102 84 V HA 0.810 4.930 4.120 -0.000 0.000 0.312 84 V C -0.240 175.964 176.094 0.184 0.000 1.135 84 V CA -1.046 61.326 62.300 0.120 0.000 1.022 84 V CB 1.645 33.537 31.823 0.116 0.000 1.056 84 V HN 0.502 nan 8.190 nan 0.000 0.436 85 V N 1.985 121.982 119.914 0.138 0.000 2.649 85 V HA 0.564 4.684 4.120 -0.000 0.000 0.292 85 V C 0.045 176.207 176.094 0.113 0.000 1.055 85 V CA -0.089 62.295 62.300 0.140 0.000 1.023 85 V CB 1.361 33.238 31.823 0.090 0.000 0.992 85 V HN 0.765 nan 8.190 nan 0.000 0.480 86 V N 6.108 126.016 119.914 -0.009 0.000 2.709 86 V HA 0.462 4.582 4.120 -0.000 0.000 0.308 86 V C -2.279 173.715 176.094 -0.167 0.000 1.062 86 V CA -1.619 60.546 62.300 -0.225 0.000 0.901 86 V CB 2.611 33.941 31.823 -0.821 0.000 1.003 86 V HN 0.775 nan 8.190 nan 0.000 0.425 87 P HA 0.372 nan 4.420 nan 0.000 0.272 87 P C -0.698 176.540 177.300 -0.104 0.000 1.230 87 P CA 0.092 63.083 63.100 -0.182 0.000 0.788 87 P CB 1.434 33.039 31.700 -0.159 0.000 0.949 88 S N 0.015 115.663 115.700 -0.086 0.000 2.633 88 S HA 0.309 4.779 4.470 -0.000 0.000 0.271 88 S C -1.476 173.037 174.600 -0.144 0.000 1.112 88 S CA -1.071 57.058 58.200 -0.119 0.000 0.828 88 S CB -0.023 63.076 63.200 -0.169 0.000 1.086 88 S HN 0.422 nan 8.310 nan 0.000 0.461 89 N N 1.180 119.727 118.700 -0.255 0.000 2.408 89 N HA 0.452 5.192 4.740 -0.000 0.000 0.280 89 N C 0.493 175.790 175.510 -0.355 0.000 1.002 89 N CA -0.788 52.076 53.050 -0.311 0.000 0.907 89 N CB 0.647 38.925 38.487 -0.347 0.000 1.161 89 N HN 0.854 nan 8.380 nan 0.000 0.488 90 W N 2.155 123.274 121.300 -0.302 0.000 2.538 90 W HA -0.041 4.619 4.660 -0.000 0.000 0.254 90 W C 0.818 177.295 176.519 -0.070 0.000 1.249 90 W CA 0.487 57.650 57.345 -0.303 0.000 1.253 90 W CB -0.320 28.950 29.460 -0.317 0.000 1.130 90 W HN 0.498 nan 8.180 nan 0.000 0.618 91 Q N 0.409 120.152 119.800 -0.095 0.000 2.230 91 Q HA -0.053 4.287 4.340 -0.000 0.000 0.202 91 Q C 2.122 178.056 176.000 -0.109 0.000 0.963 91 Q CA 1.407 57.163 55.803 -0.079 0.000 0.866 91 Q CB -0.458 28.118 28.738 -0.270 0.000 0.931 91 Q HN 0.255 nan 8.270 nan 0.000 0.452 92 M N -0.882 118.620 119.600 -0.164 0.000 2.562 92 M HA -0.017 4.463 4.480 -0.000 0.000 0.257 92 M C 0.659 177.018 176.300 0.098 0.000 1.099 92 M CA 1.298 56.534 55.300 -0.108 0.000 1.099 92 M CB -0.488 32.023 32.600 -0.148 0.000 1.427 92 M HN 0.378 nan 8.290 nan 0.000 0.489 93 H N -1.027 118.078 119.070 0.058 0.000 2.622 93 H HA 0.281 4.837 4.556 -0.000 0.000 0.269 93 H C 1.307 176.592 175.328 -0.072 0.000 0.977 93 H CA 0.198 56.286 56.048 0.067 0.000 1.179 93 H CB 0.597 30.506 29.762 0.245 0.000 1.458 93 H HN 0.534 nan 8.280 nan 0.000 0.531 94 G N 0.539 109.381 108.800 0.070 0.000 2.157 94 G HA2 -0.341 3.619 3.960 -0.000 0.000 0.239 94 G HA3 -0.341 3.619 3.960 -0.000 0.000 0.239 94 G C 0.361 175.138 174.900 -0.205 0.000 0.982 94 G CA 0.209 45.260 45.100 -0.082 0.000 0.650 94 G HN 0.436 nan 8.290 nan 0.000 0.527 95 Y N 1.747 122.049 120.300 0.002 0.000 2.352 95 Y HA 0.262 4.812 4.550 -0.000 0.000 0.292 95 Y C 1.622 177.236 175.900 -0.476 0.000 1.136 95 Y CA 1.625 59.587 58.100 -0.231 0.000 1.227 95 Y CB 0.180 38.566 38.460 -0.123 0.000 0.991 95 Y HN 0.669 nan 8.280 nan 0.000 0.545 96 D N -2.301 118.103 120.400 0.006 0.000 2.692 96 D HA 0.490 5.130 4.640 -0.000 0.000 0.290 96 D C -1.242 175.104 176.300 0.077 0.000 1.281 96 D CA -0.829 53.172 54.000 0.003 0.000 0.804 96 D CB 0.660 41.563 40.800 0.171 0.000 1.331 96 D HN -0.061 nan 8.370 nan 0.000 0.432 97 A N 0.097 122.976 122.820 0.098 0.000 2.327 97 A HA 0.692 5.012 4.320 -0.000 0.000 0.283 97 A C -2.293 175.301 177.584 0.016 0.000 1.127 97 A CA -1.188 50.892 52.037 0.072 0.000 0.810 97 A CB 0.143 19.256 19.000 0.189 0.000 1.066 97 A HN 0.541 nan 8.150 nan 0.000 0.492 98 P HA 0.411 nan 4.420 nan 0.000 0.279 98 P C -0.924 176.529 177.300 0.255 0.000 1.239 98 P CA 0.060 63.084 63.100 -0.126 0.000 0.789 98 P CB 0.920 32.270 31.700 -0.582 0.000 0.933 99 I N 3.055 123.855 120.570 0.384 0.000 2.378 99 I HA 0.253 4.423 4.170 -0.000 0.000 0.291 99 I C -0.435 175.854 176.117 0.285 0.000 0.992 99 I CA -0.996 60.530 61.300 0.376 0.000 1.154 99 I CB 1.441 39.606 38.000 0.275 0.000 1.315 99 I HN 0.314 nan 8.210 nan 0.000 0.448 100 Y N 6.089 126.327 120.300 -0.102 0.000 2.402 100 Y HA 0.506 5.056 4.550 -0.000 0.000 0.332 100 Y C -0.351 175.388 175.900 -0.268 0.000 0.960 100 Y CA -0.519 57.269 58.100 -0.520 0.000 1.228 100 Y CB 1.227 38.915 38.460 -1.286 0.000 1.120 100 Y HN 0.537 nan 8.280 nan 0.000 0.491 101 T N 5.658 119.655 114.554 -0.928 0.000 2.886 101 T HA 0.256 4.606 4.350 -0.000 0.000 0.292 101 T C 0.134 174.359 174.700 -0.792 0.000 1.012 101 T CA -0.608 61.005 62.100 -0.811 0.000 0.982 101 T CB 1.005 69.642 68.868 -0.386 0.000 1.018 101 T HN 0.768 nan 8.240 nan 0.000 0.451 102 N N 2.913 121.183 118.700 -0.717 0.000 2.236 102 N HA 0.023 4.763 4.740 -0.000 0.000 0.195 102 N C 1.678 176.942 175.510 -0.410 0.000 1.048 102 N CA 1.609 54.389 53.050 -0.450 0.000 0.927 102 N CB -0.691 37.558 38.487 -0.396 0.000 1.112 102 N HN 0.398 nan 8.380 nan 0.000 0.482 103 V N 0.507 120.112 119.914 -0.515 0.000 2.331 103 V HA 0.026 4.146 4.120 -0.000 0.000 0.242 103 V C 0.512 176.301 176.094 -0.507 0.000 1.034 103 V CA 1.119 63.031 62.300 -0.647 0.000 1.027 103 V CB -0.927 30.395 31.823 -0.836 0.000 0.667 103 V HN 0.380 nan 8.190 nan 0.000 0.457 104 T N 0.887 115.206 114.554 -0.392 0.000 2.871 104 T HA 0.101 4.450 4.350 -0.000 0.000 0.296 104 T C -0.354 174.212 174.700 -0.222 0.000 0.998 104 T CA 0.237 62.183 62.100 -0.256 0.000 1.162 104 T CB -0.288 68.460 68.868 -0.201 0.000 0.947 104 T HN 0.185 nan 8.240 nan 0.000 0.536 105 Y N 4.834 125.029 120.300 -0.174 0.000 2.702 105 Y HA 0.091 4.641 4.550 -0.000 0.000 0.336 105 Y C -0.628 175.140 175.900 -0.221 0.000 1.235 105 Y CA -1.593 56.395 58.100 -0.186 0.000 1.492 105 Y CB 0.414 38.761 38.460 -0.189 0.000 1.308 105 Y HN 0.522 nan 8.280 nan 0.000 0.589 106 P HA -0.053 nan 4.420 nan 0.000 0.237 106 P C -0.238 176.857 177.300 -0.342 0.000 1.178 106 P CA 1.211 64.207 63.100 -0.174 0.000 0.766 106 P CB 0.076 31.723 31.700 -0.088 0.000 0.876 107 I N -5.127 115.202 120.570 -0.402 0.000 2.892 107 I HA 0.481 4.651 4.170 -0.000 0.000 0.306 107 I C -0.599 175.377 176.117 -0.234 0.000 1.078 107 I CA -1.227 59.809 61.300 -0.441 0.000 1.032 107 I CB 1.830 39.394 38.000 -0.727 0.000 1.229 107 I HN -0.462 nan 8.210 nan 0.000 0.435 108 T N 3.094 117.554 114.554 -0.156 0.000 2.908 108 T HA 0.116 4.466 4.350 -0.000 0.000 0.301 108 T C 0.236 174.910 174.700 -0.043 0.000 1.019 108 T CA -0.171 61.888 62.100 -0.068 0.000 1.152 108 T CB 0.402 69.254 68.868 -0.027 0.000 0.966 108 T HN 0.380 nan 8.240 nan 0.000 0.540 109 V N 5.096 124.997 119.914 -0.022 0.000 2.381 109 V HA 0.202 4.322 4.120 -0.000 0.000 0.257 109 V C 0.691 176.827 176.094 0.069 0.000 1.057 109 V CA -0.114 62.195 62.300 0.015 0.000 1.013 109 V CB -0.341 31.470 31.823 -0.019 0.000 1.069 109 V HN 0.895 nan 8.190 nan 0.000 0.484 110 N N 6.110 124.915 118.700 0.175 0.000 2.732 110 N HA 0.230 4.970 4.740 -0.000 0.000 0.230 110 N C -2.819 172.783 175.510 0.153 0.000 1.487 110 N CA -1.048 52.092 53.050 0.150 0.000 0.765 110 N CB 1.542 40.138 38.487 0.181 0.000 1.384 110 N HN 0.304 nan 8.380 nan 0.000 0.530 111 P HA 0.175 nan 4.420 nan 0.000 0.266 111 P C -2.183 174.960 177.300 -0.261 0.000 1.195 111 P CA -0.605 62.139 63.100 -0.593 0.000 0.768 111 P CB 0.893 32.134 31.700 -0.765 0.000 0.838 112 P HA 0.196 nan 4.420 nan 0.000 0.263 112 P C -0.229 176.998 177.300 -0.122 0.000 1.448 112 P CA -0.328 62.595 63.100 -0.296 0.000 0.983 112 P CB 0.023 31.525 31.700 -0.331 0.000 1.481 113 F N 1.253 121.310 119.950 0.178 0.000 2.450 113 F HA 0.245 4.772 4.527 -0.000 0.000 0.339 113 F C 1.440 177.405 175.800 0.276 0.000 1.146 113 F CA -0.456 57.658 58.000 0.191 0.000 1.267 113 F CB 0.418 39.478 39.000 0.099 0.000 1.178 113 F HN -0.192 nan 8.300 nan 0.000 0.585 114 V N -1.150 119.021 119.914 0.429 0.000 3.155 114 V HA 0.689 4.809 4.120 -0.000 0.000 0.313 114 V C -2.829 173.421 176.094 0.259 0.000 1.162 114 V CA -3.016 59.461 62.300 0.294 0.000 1.048 114 V CB 1.389 33.452 31.823 0.400 0.000 1.092 114 V HN 0.472 nan 8.190 nan 0.000 0.447 115 P HA 0.193 nan 4.420 nan 0.000 0.266 115 P C 1.108 178.555 177.300 0.245 0.000 1.195 115 P CA 0.590 63.788 63.100 0.164 0.000 0.768 115 P CB 0.679 32.449 31.700 0.117 0.000 0.838 116 T N -0.937 113.732 114.554 0.192 0.000 2.833 116 T HA -0.129 4.221 4.350 -0.000 0.000 0.269 116 T C 0.565 175.380 174.700 0.191 0.000 1.054 116 T CA 1.001 63.218 62.100 0.195 0.000 1.135 116 T CB -0.490 68.457 68.868 0.132 0.000 0.869 116 T HN 0.387 nan 8.240 nan 0.000 0.466 117 E N 2.678 122.989 120.200 0.185 0.000 1.861 117 E HA 0.202 4.552 4.350 -0.000 0.000 0.263 117 E C -0.715 176.043 176.600 0.263 0.000 1.137 117 E CA -0.320 56.192 56.400 0.187 0.000 0.944 117 E CB 0.096 29.909 29.700 0.187 0.000 1.092 117 E HN 0.267 nan 8.360 nan 0.000 0.420 118 N N 3.833 122.662 118.700 0.216 0.000 2.558 118 N HA 0.210 4.950 4.740 -0.000 0.000 0.242 118 N C -2.779 172.764 175.510 0.054 0.000 0.979 118 N CA -2.443 50.760 53.050 0.256 0.000 0.931 118 N CB 1.040 39.660 38.487 0.222 0.000 1.122 118 N HN 0.012 nan 8.380 nan 0.000 0.508 119 P HA -0.028 nan 4.420 nan 0.000 0.257 119 P C -0.866 176.344 177.300 -0.150 0.000 1.162 119 P CA 0.663 63.739 63.100 -0.040 0.000 0.762 119 P CB 0.348 32.330 31.700 0.471 0.000 0.753 120 T N 3.074 117.290 114.554 -0.564 0.000 2.792 120 T HA 0.562 4.912 4.350 -0.000 0.000 0.280 120 T C 0.353 174.592 174.700 -0.768 0.000 0.990 120 T CA -0.551 61.273 62.100 -0.459 0.000 0.960 120 T CB 1.525 70.153 68.868 -0.400 0.000 0.939 120 T HN 0.308 nan 8.240 nan 0.000 0.439 121 G N 1.061 109.485 108.800 -0.627 0.000 2.370 121 G HA2 0.479 4.439 3.960 -0.000 0.000 0.317 121 G HA3 0.479 4.439 3.960 -0.000 0.000 0.317 121 G C -0.311 174.419 174.900 -0.283 0.000 1.162 121 G CA -0.379 44.292 45.100 -0.714 0.000 0.922 121 G HN 0.869 nan 8.290 nan 0.000 0.454 122 C N 3.206 122.104 119.300 -0.671 0.000 2.223 122 C HA 0.487 4.947 4.460 -0.000 0.000 0.324 122 C C -0.480 174.494 174.990 -0.026 0.000 1.196 122 C CA -0.918 57.801 59.018 -0.498 0.000 1.628 122 C CB -1.672 25.339 27.740 -1.215 0.000 2.229 122 C HN 0.625 nan 8.230 nan 0.000 0.486 123 Y N 1.873 122.456 120.300 0.471 0.000 2.419 123 Y HA 0.673 5.223 4.550 -0.000 0.000 0.328 123 Y C 0.789 177.161 175.900 0.787 0.000 1.162 123 Y CA -0.256 58.241 58.100 0.661 0.000 1.174 123 Y CB 1.482 40.313 38.460 0.619 0.000 1.228 123 Y HN 0.690 nan 8.280 nan 0.000 0.473 124 S N 1.744 117.951 115.700 0.845 0.000 2.547 124 S HA 0.767 5.237 4.470 -0.000 0.000 0.270 124 S C -2.042 172.669 174.600 0.184 0.000 1.150 124 S CA -0.802 57.677 58.200 0.466 0.000 0.850 124 S CB 1.986 65.384 63.200 0.330 0.000 1.118 124 S HN 0.622 nan 8.310 nan 0.000 0.461 125 L N 0.957 122.124 121.223 -0.094 0.000 2.526 125 L HA 0.715 5.055 4.340 -0.000 0.000 0.263 125 L C -1.081 175.775 176.870 -0.024 0.000 0.943 125 L CA 0.147 54.796 54.840 -0.318 0.000 0.859 125 L CB 2.288 43.684 42.059 -1.105 0.000 1.313 125 L HN 0.927 nan 8.230 nan 0.000 0.406 126 T N 5.652 120.203 114.554 -0.006 0.000 2.767 126 T HA 0.743 5.093 4.350 -0.000 0.000 0.284 126 T C -0.773 173.975 174.700 0.081 0.000 0.973 126 T CA 0.025 62.132 62.100 0.012 0.000 0.996 126 T CB 0.241 69.087 68.868 -0.037 0.000 0.927 126 T HN 0.456 nan 8.240 nan 0.000 0.456 127 F N 0.874 120.746 119.950 -0.131 0.000 2.685 127 F HA 0.717 5.244 4.527 -0.000 0.000 0.315 127 F C -0.966 174.774 175.800 -0.100 0.000 1.126 127 F CA -1.366 56.558 58.000 -0.125 0.000 0.950 127 F CB 1.471 40.380 39.000 -0.152 0.000 1.360 127 F HN 0.198 nan 8.300 nan 0.000 0.469 128 N N 0.670 119.322 118.700 -0.080 0.000 2.319 128 N HA 0.682 5.422 4.740 -0.000 0.000 0.305 128 N C -1.544 173.917 175.510 -0.083 0.000 1.103 128 N CA -0.578 52.370 53.050 -0.169 0.000 0.815 128 N CB 2.677 41.090 38.487 -0.123 0.000 1.288 128 N HN 0.514 nan 8.380 nan 0.000 0.493 129 V N 0.361 120.186 119.914 -0.149 0.000 2.769 129 V HA 0.186 4.306 4.120 -0.000 0.000 0.312 129 V C 0.050 175.963 176.094 -0.301 0.000 1.061 129 V CA -0.947 61.226 62.300 -0.212 0.000 0.931 129 V CB 2.113 33.907 31.823 -0.048 0.000 1.010 129 V HN 0.641 nan 8.190 nan 0.000 0.433 130 D N 1.587 121.640 120.400 -0.579 0.000 2.443 130 D HA -0.050 4.590 4.640 -0.000 0.000 0.234 130 D C 1.109 177.282 176.300 -0.211 0.000 1.172 130 D CA 0.439 54.163 54.000 -0.460 0.000 0.878 130 D CB 0.966 41.320 40.800 -0.744 0.000 1.204 130 D HN 0.749 nan 8.370 nan 0.000 0.453 131 E N 1.265 121.403 120.200 -0.103 0.000 2.072 131 E HA -0.170 4.180 4.350 -0.000 0.000 0.191 131 E C 1.793 178.419 176.600 0.043 0.000 0.985 131 E CA 1.832 58.219 56.400 -0.022 0.000 0.801 131 E CB -0.423 29.266 29.700 -0.019 0.000 0.750 131 E HN 0.442 nan 8.360 nan 0.000 0.452 132 S N -0.791 114.948 115.700 0.066 0.000 2.419 132 S HA -0.145 4.325 4.470 -0.000 0.000 0.233 132 S C 1.680 176.377 174.600 0.161 0.000 1.016 132 S CA 0.872 59.141 58.200 0.115 0.000 0.974 132 S CB -0.828 62.445 63.200 0.121 0.000 0.786 132 S HN 0.387 nan 8.310 nan 0.000 0.492 133 W N 1.675 122.849 121.300 -0.211 0.000 2.465 133 W HA 0.320 4.980 4.660 -0.000 0.000 0.268 133 W C 1.890 178.397 176.519 -0.021 0.000 1.242 133 W CA -0.180 56.970 57.345 -0.325 0.000 1.248 133 W CB -0.638 28.658 29.460 -0.272 0.000 1.118 133 W HN 0.330 nan 8.180 nan 0.000 0.587 134 L N -0.718 120.635 121.223 0.217 0.000 2.375 134 L HA -0.029 4.311 4.340 -0.000 0.000 0.215 134 L C 2.151 179.094 176.870 0.121 0.000 1.108 134 L CA 0.781 55.715 54.840 0.158 0.000 0.830 134 L CB -0.540 41.579 42.059 0.100 0.000 0.959 134 L HN -0.025 nan 8.230 nan 0.000 0.457 135 Q N -0.499 119.367 119.800 0.111 0.000 2.204 135 Q HA 0.085 4.424 4.340 -0.000 0.000 0.198 135 Q C 0.112 176.169 176.000 0.094 0.000 0.946 135 Q CA 0.649 56.503 55.803 0.085 0.000 0.859 135 Q CB 0.578 29.357 28.738 0.068 0.000 0.946 135 Q HN 0.325 nan 8.270 nan 0.000 0.474 136 E N -0.834 119.444 120.200 0.129 0.000 2.433 136 E HA 0.498 4.848 4.350 -0.000 0.000 0.273 136 E C -0.096 176.628 176.600 0.207 0.000 0.950 136 E CA -0.070 56.408 56.400 0.129 0.000 0.796 136 E CB 1.717 31.483 29.700 0.109 0.000 1.330 136 E HN 0.212 nan 8.360 nan 0.000 0.455 137 G N 1.061 109.913 108.800 0.087 0.000 2.750 137 G HA2 -0.258 3.702 3.960 -0.000 0.000 0.228 137 G HA3 -0.258 3.702 3.960 -0.000 0.000 0.228 137 G C -0.564 174.272 174.900 -0.108 0.000 1.367 137 G CA 0.071 45.117 45.100 -0.091 0.000 0.871 137 G HN 0.523 nan 8.290 nan 0.000 0.560 138 Q N -0.404 119.188 119.800 -0.347 0.000 2.331 138 Q HA 0.636 4.976 4.340 -0.000 0.000 0.267 138 Q C -0.882 174.994 176.000 -0.206 0.000 1.006 138 Q CA -0.487 55.209 55.803 -0.178 0.000 0.818 138 Q CB 1.451 30.102 28.738 -0.146 0.000 1.276 138 Q HN 0.608 nan 8.270 nan 0.000 0.450 139 T N 5.088 119.666 114.554 0.041 0.000 2.770 139 T HA 0.493 4.843 4.350 -0.000 0.000 0.283 139 T C -0.646 174.131 174.700 0.128 0.000 0.988 139 T CA -0.669 61.505 62.100 0.123 0.000 0.957 139 T CB 0.621 69.702 68.868 0.354 0.000 0.930 139 T HN 0.661 nan 8.240 nan 0.000 0.443 140 R N 2.769 123.319 120.500 0.084 0.000 2.854 140 R HA 0.791 5.131 4.340 -0.000 0.000 0.271 140 R C -1.116 175.245 176.300 0.102 0.000 0.996 140 R CA -1.007 55.154 56.100 0.103 0.000 0.961 140 R CB 1.573 31.912 30.300 0.064 0.000 1.182 140 R HN 0.569 nan 8.270 nan 0.000 0.479 141 I N 2.433 123.075 120.570 0.120 0.000 2.493 141 I HA 0.451 4.620 4.170 -0.000 0.000 0.298 141 I C -1.125 175.006 176.117 0.023 0.000 0.998 141 I CA -1.313 60.005 61.300 0.029 0.000 1.137 141 I CB 1.383 39.407 38.000 0.039 0.000 1.310 141 I HN 0.624 nan 8.210 nan 0.000 0.445 142 I N 7.361 127.842 120.570 -0.149 0.000 2.439 142 I HA 0.293 4.462 4.170 -0.000 0.000 0.285 142 I C -1.302 174.646 176.117 -0.281 0.000 1.021 142 I CA -0.398 60.840 61.300 -0.104 0.000 1.091 142 I CB 1.459 39.416 38.000 -0.072 0.000 1.242 142 I HN 0.383 nan 8.210 nan 0.000 0.439 143 F N 4.483 124.416 119.950 -0.029 0.000 2.332 143 F HA 0.280 4.807 4.527 -0.000 0.000 0.368 143 F C 1.326 177.019 175.800 -0.179 0.000 1.110 143 F CA -0.503 57.415 58.000 -0.137 0.000 1.087 143 F CB 0.740 39.614 39.000 -0.210 0.000 1.235 143 F HN 0.452 nan 8.300 nan 0.000 0.470 144 D N 2.355 122.677 120.400 -0.130 0.000 2.219 144 D HA 0.031 4.670 4.640 -0.000 0.000 0.205 144 D C 1.018 177.149 176.300 -0.282 0.000 0.970 144 D CA 0.956 54.830 54.000 -0.211 0.000 0.851 144 D CB 0.371 40.991 40.800 -0.300 0.000 0.943 144 D HN 0.634 nan 8.370 nan 0.000 0.488 145 G N -0.364 108.212 108.800 -0.374 0.000 2.552 145 G HA2 0.435 4.395 3.960 -0.000 0.000 0.288 145 G HA3 0.435 4.395 3.960 -0.000 0.000 0.288 145 G C -1.447 173.211 174.900 -0.404 0.000 1.358 145 G CA -0.416 44.339 45.100 -0.575 0.000 1.305 145 G HN -0.058 nan 8.290 nan 0.000 0.602 146 V N 2.748 122.630 119.914 -0.053 0.000 2.482 146 V HA 0.469 4.589 4.120 -0.000 0.000 0.295 146 V C -0.717 175.487 176.094 0.183 0.000 1.026 146 V CA -1.239 61.054 62.300 -0.011 0.000 0.856 146 V CB 1.812 33.426 31.823 -0.349 0.000 1.001 146 V HN 0.677 nan 8.190 nan 0.000 0.424 147 N N 2.578 121.376 118.700 0.163 0.000 2.437 147 N HA 0.298 5.038 4.740 -0.000 0.000 0.259 147 N C 0.724 176.188 175.510 -0.076 0.000 0.983 147 N CA 0.247 53.290 53.050 -0.013 0.000 0.937 147 N CB 2.049 40.355 38.487 -0.301 0.000 1.122 147 N HN 0.742 nan 8.380 nan 0.000 0.499 148 S N 1.760 117.452 115.700 -0.013 0.000 2.559 148 S HA 0.536 5.006 4.470 -0.000 0.000 0.226 148 S C 0.321 174.987 174.600 0.109 0.000 1.030 148 S CA -0.131 58.102 58.200 0.056 0.000 0.956 148 S CB 0.447 63.689 63.200 0.070 0.000 0.900 148 S HN 0.587 nan 8.310 nan 0.000 0.510 149 A N 0.953 123.849 122.820 0.126 0.000 2.606 149 A HA 0.830 5.150 4.320 -0.000 0.000 0.293 149 A C -1.296 176.378 177.584 0.149 0.000 1.082 149 A CA -0.946 51.124 52.037 0.056 0.000 0.685 149 A CB 1.081 20.156 19.000 0.125 0.000 1.284 149 A HN 1.158 nan 8.150 nan 0.000 0.408 150 F N -0.634 119.161 119.950 -0.259 0.000 2.725 150 F HA 0.692 5.219 4.527 -0.000 0.000 0.309 150 F C -1.411 174.284 175.800 -0.175 0.000 1.132 150 F CA -0.730 57.193 58.000 -0.128 0.000 0.957 150 F CB 1.001 39.905 39.000 -0.159 0.000 1.286 150 F HN 0.642 nan 8.300 nan 0.000 0.440 151 H N 2.051 121.236 119.070 0.193 0.000 2.529 151 H HA 0.735 5.291 4.556 -0.000 0.000 0.348 151 H C -1.458 173.771 175.328 -0.165 0.000 1.152 151 H CA -0.721 55.298 56.048 -0.047 0.000 1.202 151 H CB 2.474 32.196 29.762 -0.066 0.000 1.562 151 H HN 0.794 nan 8.280 nan 0.000 0.515 152 L N 2.835 123.772 121.223 -0.476 0.000 2.365 152 L HA 0.415 4.755 4.340 -0.000 0.000 0.273 152 L C -1.630 174.886 176.870 -0.591 0.000 1.000 152 L CA -0.514 54.099 54.840 -0.379 0.000 0.819 152 L CB 1.442 43.186 42.059 -0.524 0.000 1.284 152 L HN 0.506 nan 8.230 nan 0.000 0.418 153 W N 4.282 125.527 121.300 -0.090 0.000 2.936 153 W HA 0.583 5.243 4.660 -0.000 0.000 0.338 153 W C -1.213 175.247 176.519 -0.099 0.000 1.121 153 W CA -0.774 56.514 57.345 -0.095 0.000 1.209 153 W CB 2.053 31.488 29.460 -0.041 0.000 1.420 153 W HN 0.592 nan 8.180 nan 0.000 0.516 154 C N 4.854 124.240 119.300 0.144 0.000 2.397 154 C HA 0.303 4.763 4.460 -0.000 0.000 0.325 154 C C 0.187 175.303 174.990 0.209 0.000 1.201 154 C CA -0.360 58.743 59.018 0.143 0.000 1.377 154 C CB -0.581 27.195 27.740 0.060 0.000 2.038 154 C HN 0.793 nan 8.230 nan 0.000 0.457 155 N N 3.770 122.545 118.700 0.124 0.000 2.727 155 N HA -0.188 4.552 4.740 -0.000 0.000 0.249 155 N C 0.999 176.564 175.510 0.091 0.000 1.048 155 N CA 1.993 55.088 53.050 0.076 0.000 0.714 155 N CB -1.294 37.245 38.487 0.086 0.000 0.959 155 N HN 1.800 nan 8.380 nan 0.000 0.544 156 G N -1.258 107.584 108.800 0.069 0.000 2.284 156 G HA2 -0.379 3.580 3.960 -0.000 0.000 0.247 156 G HA3 -0.379 3.580 3.960 -0.000 0.000 0.247 156 G C 0.180 175.222 174.900 0.236 0.000 1.012 156 G CA 0.624 45.758 45.100 0.057 0.000 0.618 156 G HN 0.568 nan 8.290 nan 0.000 0.521 157 R N -0.730 119.984 120.500 0.355 0.000 2.349 157 R HA 0.446 4.786 4.340 -0.000 0.000 0.299 157 R C -0.148 176.500 176.300 0.579 0.000 1.027 157 R CA -0.761 55.636 56.100 0.495 0.000 0.958 157 R CB 0.914 31.522 30.300 0.512 0.000 1.047 157 R HN 0.244 nan 8.270 nan 0.000 0.468 158 W N 3.635 125.154 121.300 0.364 0.000 2.308 158 W HA 0.090 4.750 4.660 -0.000 0.000 0.324 158 W C 0.068 176.517 176.519 -0.117 0.000 1.387 158 W CA -0.039 57.237 57.345 -0.114 0.000 1.250 158 W CB 0.613 29.998 29.460 -0.126 0.000 1.257 158 W HN 0.340 nan 8.180 nan 0.000 0.554 159 V N 5.430 124.689 119.914 -1.091 0.000 2.602 159 V HA 0.530 4.650 4.120 -0.000 0.000 0.235 159 V C 1.072 176.277 176.094 -1.481 0.000 1.087 159 V CA 1.123 62.717 62.300 -1.178 0.000 1.117 159 V CB -0.591 30.545 31.823 -1.145 0.000 0.820 159 V HN 0.745 nan 8.190 nan 0.000 0.490 160 G N -2.028 105.701 108.800 -1.784 0.000 2.619 160 G HA2 0.522 4.482 3.960 -0.000 0.000 0.305 160 G HA3 0.522 4.482 3.960 -0.000 0.000 0.305 160 G C -2.463 171.918 174.900 -0.865 0.000 1.330 160 G CA -0.364 43.919 45.100 -1.361 0.000 0.789 160 G HN 0.013 nan 8.290 nan 0.000 0.487 161 Y N -0.500 119.538 120.300 -0.437 0.000 2.524 161 Y HA 0.713 5.263 4.550 -0.000 0.000 0.347 161 Y C -0.020 175.671 175.900 -0.348 0.000 1.005 161 Y CA -0.197 57.617 58.100 -0.477 0.000 1.025 161 Y CB 2.309 40.635 38.460 -0.223 0.000 1.275 161 Y HN 1.059 nan 8.280 nan 0.000 0.460 162 G N 3.944 111.880 108.800 -1.440 0.000 2.696 162 G HA2 0.585 4.545 3.960 -0.000 0.000 0.295 162 G HA3 0.585 4.545 3.960 -0.000 0.000 0.295 162 G C -2.062 172.328 174.900 -0.849 0.000 1.398 162 G CA -0.835 43.722 45.100 -0.905 0.000 0.920 162 G HN 0.623 nan 8.290 nan 0.000 0.492 163 Q N -0.377 119.196 119.800 -0.378 0.000 2.668 163 Q HA 0.572 4.912 4.340 -0.000 0.000 0.298 163 Q C -1.447 174.537 176.000 -0.026 0.000 1.071 163 Q CA -0.802 54.903 55.803 -0.163 0.000 0.789 163 Q CB 2.712 31.406 28.738 -0.074 0.000 1.497 163 Q HN 0.671 nan 8.270 nan 0.000 0.460 164 D N -0.183 120.245 120.400 0.046 0.000 4.280 164 D HA -0.093 4.547 4.640 -0.000 0.000 0.225 164 D C -0.551 175.810 176.300 0.101 0.000 1.273 164 D CA 0.471 54.518 54.000 0.079 0.000 0.948 164 D CB -0.542 40.288 40.800 0.048 0.000 0.545 164 D HN 0.537 nan 8.370 nan 0.000 0.247 165 S N 3.300 119.077 115.700 0.129 0.000 2.547 165 S HA -0.064 4.406 4.470 -0.000 0.000 0.235 165 S C 1.558 176.299 174.600 0.236 0.000 0.980 165 S CA 0.527 58.836 58.200 0.183 0.000 0.941 165 S CB 0.251 63.525 63.200 0.123 0.000 0.763 165 S HN 0.451 nan 8.310 nan 0.000 0.532 166 R N 0.149 120.742 120.500 0.155 0.000 2.508 166 R HA 0.427 4.767 4.340 -0.000 0.000 0.300 166 R C -0.346 176.006 176.300 0.086 0.000 0.970 166 R CA 0.058 56.246 56.100 0.147 0.000 1.102 166 R CB 0.153 30.566 30.300 0.187 0.000 1.246 166 R HN 0.328 nan 8.270 nan 0.000 0.539 167 L N 2.061 123.308 121.223 0.040 0.000 2.388 167 L HA 0.492 4.832 4.340 -0.000 0.000 0.264 167 L C -2.327 174.515 176.870 -0.047 0.000 0.998 167 L CA -2.256 52.577 54.840 -0.011 0.000 0.817 167 L CB 3.008 45.057 42.059 -0.016 0.000 1.338 167 L HN -0.208 nan 8.230 nan 0.000 0.414 168 P HA 0.073 nan 4.420 nan 0.000 0.268 168 P C -0.931 176.330 177.300 -0.066 0.000 1.205 168 P CA -0.166 62.883 63.100 -0.085 0.000 0.771 168 P CB 1.162 32.775 31.700 -0.145 0.000 0.858 169 S N 1.963 117.683 115.700 0.032 0.000 2.478 169 S HA 0.320 4.790 4.470 -0.000 0.000 0.312 169 S C -0.386 174.178 174.600 -0.060 0.000 1.094 169 S CA -0.552 57.628 58.200 -0.034 0.000 1.081 169 S CB 0.972 64.294 63.200 0.203 0.000 1.007 169 S HN 0.388 nan 8.310 nan 0.000 0.475 170 E N 1.770 121.750 120.200 -0.368 0.000 2.212 170 E HA 0.581 4.931 4.350 -0.000 0.000 0.268 170 E C -1.458 174.787 176.600 -0.592 0.000 0.902 170 E CA -0.533 55.714 56.400 -0.255 0.000 0.779 170 E CB 1.580 31.224 29.700 -0.093 0.000 1.172 170 E HN 0.427 nan 8.360 nan 0.000 0.409 171 F N 0.791 120.792 119.950 0.085 0.000 2.569 171 F HA 0.197 4.724 4.527 -0.000 0.000 0.312 171 F C 0.010 175.829 175.800 0.032 0.000 1.109 171 F CA -1.111 56.905 58.000 0.026 0.000 0.919 171 F CB 1.528 40.513 39.000 -0.025 0.000 1.211 171 F HN 0.270 nan 8.300 nan 0.000 0.446 172 D N 3.220 123.741 120.400 0.202 0.000 2.371 172 D HA 0.197 4.837 4.640 -0.000 0.000 0.256 172 D C 0.246 176.682 176.300 0.228 0.000 1.193 172 D CA 0.388 54.493 54.000 0.175 0.000 0.881 172 D CB 1.022 41.912 40.800 0.150 0.000 1.143 172 D HN 0.604 nan 8.370 nan 0.000 0.473 173 L N 2.861 124.227 121.223 0.238 0.000 2.857 173 L HA 0.053 4.393 4.340 -0.000 0.000 0.249 173 L C 2.071 179.174 176.870 0.390 0.000 1.172 173 L CA -0.206 54.825 54.840 0.318 0.000 0.980 173 L CB 0.201 42.402 42.059 0.237 0.000 1.299 173 L HN 0.256 nan 8.230 nan 0.000 0.535 174 S N 1.375 117.250 115.700 0.291 0.000 2.365 174 S HA -0.232 4.238 4.470 -0.000 0.000 0.225 174 S C 2.027 176.738 174.600 0.184 0.000 1.039 174 S CA 1.760 60.092 58.200 0.219 0.000 1.033 174 S CB -0.092 63.196 63.200 0.146 0.000 0.887 174 S HN 0.547 nan 8.310 nan 0.000 0.447 175 A N -0.539 122.376 122.820 0.159 0.000 2.238 175 A HA 0.315 4.635 4.320 -0.000 0.000 0.208 175 A C 1.299 178.743 177.584 -0.234 0.000 1.177 175 A CA 0.403 52.400 52.037 -0.067 0.000 0.804 175 A CB -0.446 18.434 19.000 -0.199 0.000 0.823 175 A HN 0.471 nan 8.150 nan 0.000 0.482 176 F N -0.662 119.337 119.950 0.080 0.000 2.553 176 F HA 0.332 4.859 4.527 -0.000 0.000 0.282 176 F C 0.912 176.754 175.800 0.071 0.000 1.089 176 F CA -0.347 57.699 58.000 0.078 0.000 1.411 176 F CB -0.269 38.784 39.000 0.089 0.000 1.125 176 F HN -0.054 nan 8.300 nan 0.000 0.610 177 L N 2.020 123.410 121.223 0.278 0.000 2.479 177 L HA 0.201 4.541 4.340 -0.000 0.000 0.270 177 L C 0.419 177.340 176.870 0.085 0.000 1.236 177 L CA 0.113 55.055 54.840 0.170 0.000 0.823 177 L CB 0.275 42.457 42.059 0.204 0.000 1.098 177 L HN 0.193 nan 8.230 nan 0.000 0.500 178 R N 0.994 121.507 120.500 0.021 0.000 2.781 178 R HA 0.769 5.109 4.340 -0.000 0.000 0.269 178 R C -1.316 174.963 176.300 -0.036 0.000 1.025 178 R CA -0.968 55.130 56.100 -0.004 0.000 0.914 178 R CB 1.434 31.723 30.300 -0.019 0.000 1.236 178 R HN 0.517 nan 8.270 nan 0.000 0.465 179 A N 0.706 123.508 122.820 -0.031 0.000 2.440 179 A HA 0.561 4.881 4.320 -0.000 0.000 0.251 179 A C 1.004 178.545 177.584 -0.073 0.000 1.089 179 A CA 0.962 52.972 52.037 -0.045 0.000 0.779 179 A CB -0.383 18.599 19.000 -0.029 0.000 1.022 179 A HN 1.391 nan 8.150 nan 0.000 0.492 180 G N 1.657 110.401 108.800 -0.093 0.000 2.578 180 G HA2 -0.131 3.829 3.960 -0.000 0.000 0.232 180 G HA3 -0.131 3.829 3.960 -0.000 0.000 0.232 180 G C -0.270 174.531 174.900 -0.164 0.000 1.176 180 G CA 0.083 45.118 45.100 -0.108 0.000 0.968 180 G HN 0.927 nan 8.290 nan 0.000 0.583 181 E N 1.554 121.654 120.200 -0.168 0.000 2.231 181 E HA 0.521 4.871 4.350 -0.000 0.000 0.277 181 E C -0.357 176.061 176.600 -0.304 0.000 0.999 181 E CA -0.614 55.644 56.400 -0.237 0.000 0.827 181 E CB 1.117 30.719 29.700 -0.164 0.000 1.101 181 E HN 0.449 nan 8.360 nan 0.000 0.393 182 N N 1.784 120.168 118.700 -0.526 0.000 2.405 182 N HA 0.436 5.176 4.740 -0.000 0.000 0.285 182 N C -0.986 174.262 175.510 -0.436 0.000 1.262 182 N CA -0.714 52.010 53.050 -0.542 0.000 0.773 182 N CB 2.632 40.586 38.487 -0.887 0.000 1.490 182 N HN 0.294 nan 8.380 nan 0.000 0.486 183 R N 1.292 121.702 120.500 -0.150 0.000 2.538 183 R HA 0.446 4.786 4.340 -0.000 0.000 0.292 183 R C -1.392 174.978 176.300 0.116 0.000 1.008 183 R CA -0.487 55.613 56.100 0.001 0.000 0.896 183 R CB 1.052 31.317 30.300 -0.058 0.000 1.187 183 R HN 0.483 nan 8.270 nan 0.000 0.440 184 L N 3.207 124.549 121.223 0.197 0.000 2.334 184 L HA 0.720 5.060 4.340 -0.000 0.000 0.277 184 L C -0.163 176.787 176.870 0.132 0.000 1.075 184 L CA -0.813 54.144 54.840 0.195 0.000 0.804 184 L CB 1.853 44.023 42.059 0.184 0.000 1.174 184 L HN 0.757 nan 8.230 nan 0.000 0.438 185 A N 3.438 126.346 122.820 0.146 0.000 2.332 185 A HA 0.735 5.055 4.320 -0.000 0.000 0.300 185 A C -1.000 176.874 177.584 0.483 0.000 1.153 185 A CA -0.440 51.596 52.037 -0.000 0.000 0.764 185 A CB 1.427 20.038 19.000 -0.649 0.000 1.174 185 A HN 0.384 nan 8.150 nan 0.000 0.467 186 V N 3.543 123.921 119.914 0.772 0.000 2.409 186 V HA 0.429 4.549 4.120 -0.000 0.000 0.290 186 V C -0.119 176.508 176.094 0.889 0.000 1.017 186 V CA -0.258 62.479 62.300 0.730 0.000 0.841 186 V CB 1.477 33.531 31.823 0.385 0.000 1.003 186 V HN 0.969 nan 8.190 nan 0.000 0.426 187 M N 6.214 126.354 119.600 0.900 0.000 2.069 187 M HA 0.536 5.016 4.480 -0.000 0.000 0.349 187 M C -1.321 175.229 176.300 0.417 0.000 1.194 187 M CA -0.298 55.343 55.300 0.568 0.000 1.081 187 M CB 0.908 33.892 32.600 0.641 0.000 1.500 187 M HN 0.470 nan 8.290 nan 0.000 0.438 188 V N 6.792 126.915 119.914 0.349 0.000 2.407 188 V HA 0.388 4.508 4.120 -0.000 0.000 0.278 188 V C -0.065 176.194 176.094 0.276 0.000 1.037 188 V CA -0.636 61.871 62.300 0.345 0.000 0.900 188 V CB 1.353 33.442 31.823 0.443 0.000 0.983 188 V HN 0.796 nan 8.190 nan 0.000 0.459 189 L N 4.825 126.149 121.223 0.170 0.000 2.289 189 L HA 0.530 4.870 4.340 -0.000 0.000 0.285 189 L C 1.494 178.395 176.870 0.051 0.000 1.049 189 L CA -0.417 54.452 54.840 0.047 0.000 0.804 189 L CB 1.442 43.427 42.059 -0.124 0.000 1.195 189 L HN 0.621 nan 8.230 nan 0.000 0.428 190 R N 2.533 123.009 120.500 -0.039 0.000 2.075 190 R HA -0.035 4.305 4.340 -0.000 0.000 0.232 190 R C -0.378 175.609 176.300 -0.522 0.000 1.126 190 R CA 1.245 57.083 56.100 -0.438 0.000 0.963 190 R CB 0.230 30.107 30.300 -0.706 0.000 0.858 190 R HN 0.560 nan 8.270 nan 0.000 0.435 191 W N 0.080 121.452 121.300 0.120 0.000 2.627 191 W HA 0.424 5.084 4.660 -0.000 0.000 0.339 191 W C -0.362 176.277 176.519 0.199 0.000 1.058 191 W CA -0.809 56.613 57.345 0.127 0.000 1.223 191 W CB 1.775 31.310 29.460 0.126 0.000 1.389 191 W HN -0.002 nan 8.180 nan 0.000 0.541 192 S N -1.199 114.797 115.700 0.493 0.000 2.636 192 S HA 0.161 4.631 4.470 -0.000 0.000 0.268 192 S C -0.003 174.851 174.600 0.423 0.000 1.159 192 S CA -0.515 57.979 58.200 0.489 0.000 0.815 192 S CB 1.108 64.567 63.200 0.431 0.000 1.130 192 S HN 0.645 nan 8.310 nan 0.000 0.471 193 D N 0.516 121.168 120.400 0.420 0.000 2.311 193 D HA 0.046 4.686 4.640 -0.000 0.000 0.212 193 D C 1.700 178.321 176.300 0.534 0.000 0.972 193 D CA 1.304 55.599 54.000 0.492 0.000 0.887 193 D CB -0.629 40.315 40.800 0.240 0.000 0.915 193 D HN 0.722 nan 8.370 nan 0.000 0.497 194 G N -0.048 108.981 108.800 0.382 0.000 2.484 194 G HA2 -0.210 3.750 3.960 -0.000 0.000 0.218 194 G HA3 -0.210 3.750 3.960 -0.000 0.000 0.218 194 G C 1.678 176.770 174.900 0.320 0.000 1.130 194 G CA 0.512 45.811 45.100 0.331 0.000 0.784 194 G HN 0.301 nan 8.290 nan 0.000 0.543 195 S N -0.061 115.815 115.700 0.293 0.000 2.419 195 S HA -0.084 4.386 4.470 -0.000 0.000 0.233 195 S C 1.852 176.565 174.600 0.188 0.000 1.016 195 S CA 0.570 58.914 58.200 0.239 0.000 0.974 195 S CB -0.386 62.975 63.200 0.269 0.000 0.786 195 S HN 0.551 nan 8.310 nan 0.000 0.492 196 Y N 1.065 121.504 120.300 0.231 0.000 2.497 196 Y HA 0.076 4.626 4.550 -0.000 0.000 0.292 196 Y C 1.536 177.553 175.900 0.196 0.000 1.137 196 Y CA 0.647 58.806 58.100 0.100 0.000 1.285 196 Y CB -0.149 38.228 38.460 -0.139 0.000 0.991 196 Y HN 0.199 nan 8.280 nan 0.000 0.556 197 L N -0.242 121.182 121.223 0.334 0.000 2.769 197 L HA 0.155 4.495 4.340 -0.000 0.000 0.240 197 L C -0.089 176.923 176.870 0.237 0.000 1.163 197 L CA 0.336 55.328 54.840 0.253 0.000 0.962 197 L CB 0.135 42.345 42.059 0.251 0.000 1.258 197 L HN 0.143 nan 8.230 nan 0.000 0.513 198 E N -0.101 120.250 120.200 0.252 0.000 3.846 198 E HA 0.050 4.400 4.350 -0.000 0.000 0.216 198 E C -0.542 176.164 176.600 0.177 0.000 1.092 198 E CA -0.051 56.480 56.400 0.219 0.000 1.370 198 E CB 0.562 30.384 29.700 0.203 0.000 1.227 198 E HN 0.026 nan 8.360 nan 0.000 0.442 199 D N 1.161 121.619 120.400 0.096 0.000 2.561 199 D HA 0.025 4.665 4.640 -0.000 0.000 0.232 199 D C -0.127 176.161 176.300 -0.020 0.000 1.198 199 D CA -0.122 53.817 54.000 -0.102 0.000 0.826 199 D CB 0.206 40.672 40.800 -0.557 0.000 0.992 199 D HN 0.044 nan 8.370 nan 0.000 0.490 200 Q N 0.440 120.327 119.800 0.145 0.000 2.432 200 Q HA 0.098 4.438 4.340 -0.000 0.000 0.264 200 Q C -0.152 175.973 176.000 0.208 0.000 1.035 200 Q CA 0.242 56.211 55.803 0.275 0.000 0.908 200 Q CB 0.536 29.595 28.738 0.535 0.000 1.280 200 Q HN 0.103 nan 8.270 nan 0.000 0.455 201 D N 2.710 123.273 120.400 0.273 0.000 2.455 201 D HA 0.229 4.869 4.640 -0.000 0.000 0.234 201 D C -0.804 175.649 176.300 0.256 0.000 1.224 201 D CA 0.038 54.163 54.000 0.209 0.000 0.999 201 D CB -0.399 40.538 40.800 0.228 0.000 1.072 201 D HN 0.472 nan 8.370 nan 0.000 0.514 202 M N 0.308 120.005 119.600 0.162 0.000 2.949 202 M HA 0.410 4.890 4.480 -0.000 0.000 0.270 202 M C -1.296 175.091 176.300 0.146 0.000 1.221 202 M CA -1.183 54.160 55.300 0.070 0.000 0.818 202 M CB 1.016 33.548 32.600 -0.114 0.000 1.635 202 M HN -0.077 nan 8.290 nan 0.000 0.492 203 W N 1.921 123.297 121.300 0.128 0.000 2.193 203 W HA 0.329 4.989 4.660 -0.000 0.000 0.338 203 W C 0.200 176.730 176.519 0.018 0.000 1.310 203 W CA 0.076 57.490 57.345 0.115 0.000 1.243 203 W CB 0.376 29.845 29.460 0.016 0.000 1.165 203 W HN 0.295 nan 8.180 nan 0.000 0.566 204 R N 4.679 125.341 120.500 0.270 0.000 2.215 204 R HA 0.447 4.787 4.340 -0.000 0.000 0.336 204 R C -0.167 176.132 176.300 -0.000 0.000 0.996 204 R CA -0.327 55.853 56.100 0.134 0.000 0.847 204 R CB 0.268 30.714 30.300 0.243 0.000 1.127 204 R HN 0.561 nan 8.270 nan 0.000 0.465 205 M N 0.198 119.688 119.600 -0.184 0.000 2.739 205 M HA 0.550 5.030 4.480 -0.000 0.000 0.284 205 M C 0.005 175.956 176.300 -0.581 0.000 1.103 205 M CA -0.832 54.237 55.300 -0.384 0.000 0.809 205 M CB 2.122 34.491 32.600 -0.386 0.000 1.708 205 M HN 0.653 nan 8.290 nan 0.000 0.481 206 S N -1.323 113.896 115.700 -0.802 0.000 2.636 206 S HA 0.915 5.385 4.470 -0.000 0.000 0.266 206 S C -0.603 173.473 174.600 -0.874 0.000 1.147 206 S CA -0.187 57.482 58.200 -0.886 0.000 0.815 206 S CB 1.492 64.023 63.200 -1.116 0.000 1.119 206 S HN 1.590 nan 8.310 nan 0.000 0.470 207 G N -0.053 108.481 108.800 -0.444 0.000 2.384 207 G HA2 0.133 4.093 3.960 -0.000 0.000 0.668 207 G HA3 0.133 4.093 3.960 -0.000 0.000 0.668 207 G C -1.181 173.717 174.900 -0.004 0.000 1.280 207 G CA -0.578 44.548 45.100 0.044 0.000 0.992 207 G HN 1.267 nan 8.290 nan 0.000 0.512 208 I N 2.114 122.549 120.570 -0.224 0.000 2.243 208 I HA 0.246 4.416 4.170 -0.000 0.000 0.297 208 I C 1.373 177.393 176.117 -0.161 0.000 1.161 208 I CA -0.139 60.946 61.300 -0.359 0.000 1.298 208 I CB -0.360 37.159 38.000 -0.802 0.000 1.475 208 I HN 0.506 nan 8.210 nan 0.000 0.561 209 F N 3.591 123.397 119.950 -0.241 0.000 2.776 209 F HA 0.405 4.932 4.527 -0.000 0.000 0.300 209 F C 0.842 176.564 175.800 -0.130 0.000 1.116 209 F CA -0.524 57.365 58.000 -0.185 0.000 1.375 209 F CB 0.063 38.960 39.000 -0.173 0.000 1.109 209 F HN 0.137 nan 8.300 nan 0.000 0.585 210 R N 0.918 121.045 120.500 -0.622 0.000 2.892 210 R HA 0.207 4.547 4.340 -0.000 0.000 0.265 210 R C -0.533 175.583 176.300 -0.308 0.000 1.025 210 R CA -1.127 54.693 56.100 -0.467 0.000 0.982 210 R CB 0.926 30.836 30.300 -0.650 0.000 1.185 210 R HN 0.011 nan 8.270 nan 0.000 0.484 211 D N 0.765 121.036 120.400 -0.215 0.000 2.515 211 D HA 0.014 4.654 4.640 -0.000 0.000 0.230 211 D C -0.401 175.774 176.300 -0.208 0.000 1.181 211 D CA 0.668 54.571 54.000 -0.162 0.000 0.875 211 D CB 0.581 41.319 40.800 -0.103 0.000 1.213 211 D HN -0.025 nan 8.370 nan 0.000 0.478 212 V N 0.806 120.611 119.914 -0.181 0.000 2.588 212 V HA 0.549 4.669 4.120 -0.000 0.000 0.304 212 V C 0.015 176.002 176.094 -0.178 0.000 1.042 212 V CA -0.522 61.617 62.300 -0.269 0.000 0.877 212 V CB 1.844 33.535 31.823 -0.221 0.000 0.996 212 V HN 0.809 nan 8.190 nan 0.000 0.425 213 S N 4.433 119.998 115.700 -0.225 0.000 2.625 213 S HA 0.837 5.307 4.470 -0.000 0.000 0.271 213 S C -1.426 173.112 174.600 -0.103 0.000 1.161 213 S CA -0.943 57.186 58.200 -0.119 0.000 0.820 213 S CB 1.818 64.981 63.200 -0.062 0.000 1.137 213 S HN 0.458 nan 8.310 nan 0.000 0.470 214 L N 1.204 122.429 121.223 0.005 0.000 2.362 214 L HA 0.709 5.049 4.340 -0.000 0.000 0.275 214 L C -1.500 175.456 176.870 0.143 0.000 0.998 214 L CA -0.872 54.033 54.840 0.108 0.000 0.820 214 L CB 1.777 43.986 42.059 0.251 0.000 1.270 214 L HN 0.678 nan 8.230 nan 0.000 0.415 215 L N 2.834 124.092 121.223 0.059 0.000 2.376 215 L HA 0.453 4.793 4.340 -0.000 0.000 0.275 215 L C -0.935 175.819 176.870 -0.193 0.000 0.987 215 L CA -0.239 54.574 54.840 -0.046 0.000 0.828 215 L CB 1.421 43.468 42.059 -0.019 0.000 1.249 215 L HN 0.482 nan 8.230 nan 0.000 0.409 216 H N 4.172 122.908 119.070 -0.556 0.000 2.556 216 H HA 0.576 5.132 4.556 -0.000 0.000 0.310 216 H C -1.079 173.981 175.328 -0.446 0.000 1.057 216 H CA -0.177 55.426 56.048 -0.742 0.000 1.264 216 H CB 0.715 29.471 29.762 -1.677 0.000 1.404 216 H HN 0.609 nan 8.280 nan 0.000 0.462 217 K N 5.627 125.593 120.400 -0.723 0.000 2.328 217 K HA 0.383 4.703 4.320 -0.000 0.000 0.246 217 K C -2.701 173.588 176.600 -0.519 0.000 0.955 217 K CA -2.180 53.814 56.287 -0.489 0.000 0.817 217 K CB 1.858 34.171 32.500 -0.311 0.000 1.208 217 K HN 0.455 nan 8.250 nan 0.000 0.432 218 P HA 0.043 nan 4.420 nan 0.000 0.272 218 P C 0.220 177.416 177.300 -0.173 0.000 1.240 218 P CA -0.138 62.840 63.100 -0.204 0.000 0.791 218 P CB 0.533 32.167 31.700 -0.110 0.000 0.978 219 T N -1.341 113.145 114.554 -0.114 0.000 2.821 219 T HA -0.041 4.309 4.350 -0.000 0.000 0.267 219 T C 0.594 175.242 174.700 -0.087 0.000 1.046 219 T CA 1.494 63.541 62.100 -0.088 0.000 1.139 219 T CB -0.540 68.298 68.868 -0.051 0.000 0.871 219 T HN 0.406 nan 8.240 nan 0.000 0.454 220 T N 3.869 118.377 114.554 -0.077 0.000 2.762 220 T HA 0.423 4.773 4.350 -0.000 0.000 0.303 220 T C -0.215 174.429 174.700 -0.092 0.000 0.977 220 T CA -0.594 61.455 62.100 -0.085 0.000 0.961 220 T CB 0.463 69.300 68.868 -0.052 0.000 0.944 220 T HN 0.475 nan 8.240 nan 0.000 0.481 221 Q N 2.397 122.127 119.800 -0.115 0.000 2.495 221 Q HA 0.646 4.986 4.340 -0.000 0.000 0.287 221 Q C -1.077 174.853 176.000 -0.116 0.000 1.078 221 Q CA -1.194 54.532 55.803 -0.128 0.000 0.793 221 Q CB 1.574 30.214 28.738 -0.165 0.000 1.459 221 Q HN 0.448 nan 8.270 nan 0.000 0.422 222 I N 2.540 123.019 120.570 -0.151 0.000 2.363 222 I HA 0.038 4.208 4.170 -0.000 0.000 0.292 222 I C 0.552 176.561 176.117 -0.179 0.000 1.075 222 I CA -0.107 61.123 61.300 -0.116 0.000 1.333 222 I CB 1.014 38.911 38.000 -0.172 0.000 1.415 222 I HN 0.872 nan 8.210 nan 0.000 0.502 223 S N 2.673 118.373 115.700 0.000 0.000 2.535 223 S HA 0.203 4.673 4.470 -0.000 0.000 0.214 223 S C 0.074 174.861 174.600 0.313 0.000 0.980 223 S CA -0.297 57.967 58.200 0.107 0.000 0.907 223 S CB 0.155 63.383 63.200 0.046 0.000 0.790 223 S HN 0.735 nan 8.310 nan 0.000 0.510 224 D N -0.380 120.219 120.400 0.331 0.000 2.884 224 D HA 0.470 5.110 4.640 -0.000 0.000 0.255 224 D C -1.949 174.510 176.300 0.264 0.000 1.142 224 D CA -0.674 53.513 54.000 0.311 0.000 0.726 224 D CB 1.024 41.897 40.800 0.121 0.000 1.436 224 D HN 0.183 nan 8.370 nan 0.000 0.441 225 F N -0.378 119.626 119.950 0.090 0.000 2.654 225 F HA 0.583 5.110 4.527 -0.000 0.000 0.314 225 F C -1.670 174.198 175.800 0.113 0.000 1.116 225 F CA -0.741 57.248 58.000 -0.018 0.000 1.017 225 F CB 1.068 40.107 39.000 0.064 0.000 1.285 225 F HN 0.289 nan 8.300 nan 0.000 0.448 226 H N 2.201 121.357 119.070 0.145 0.000 2.489 226 H HA 0.751 5.307 4.556 -0.000 0.000 0.343 226 H C -1.186 174.199 175.328 0.096 0.000 1.086 226 H CA -1.522 54.549 56.048 0.038 0.000 1.198 226 H CB 2.563 32.315 29.762 -0.016 0.000 1.490 226 H HN 0.607 nan 8.280 nan 0.000 0.504 227 V N 2.382 122.410 119.914 0.189 0.000 2.459 227 V HA 0.674 4.794 4.120 -0.000 0.000 0.295 227 V C -0.126 175.966 176.094 -0.002 0.000 1.029 227 V CA -0.515 61.837 62.300 0.088 0.000 0.874 227 V CB 1.236 33.103 31.823 0.074 0.000 0.985 227 V HN 0.938 nan 8.190 nan 0.000 0.438 228 A N 3.304 126.095 122.820 -0.048 0.000 2.454 228 A HA 0.974 5.294 4.320 -0.000 0.000 0.302 228 A C -0.261 177.219 177.584 -0.173 0.000 1.079 228 A CA -0.509 51.479 52.037 -0.082 0.000 0.731 228 A CB 2.212 21.187 19.000 -0.042 0.000 1.299 228 A HN 0.928 nan 8.150 nan 0.000 0.413 229 T N -0.268 114.167 114.554 -0.197 0.000 2.937 229 T HA 0.692 5.042 4.350 -0.000 0.000 0.297 229 T C -0.582 173.882 174.700 -0.394 0.000 0.991 229 T CA -0.729 61.153 62.100 -0.363 0.000 0.990 229 T CB 0.996 69.558 68.868 -0.509 0.000 0.991 229 T HN 0.712 nan 8.240 nan 0.000 0.440 230 R N 1.990 122.204 120.500 -0.476 0.000 2.720 230 R HA 0.809 5.149 4.340 -0.000 0.000 0.272 230 R C -1.114 174.794 176.300 -0.654 0.000 0.991 230 R CA -0.806 55.088 56.100 -0.343 0.000 1.010 230 R CB 1.381 31.590 30.300 -0.152 0.000 1.141 230 R HN 0.545 nan 8.270 nan 0.000 0.494 231 F N 0.020 119.928 119.950 -0.069 0.000 2.620 231 F HA 0.303 4.830 4.527 -0.000 0.000 0.320 231 F C 0.509 176.155 175.800 -0.257 0.000 1.069 231 F CA -1.185 56.709 58.000 -0.177 0.000 0.953 231 F CB 0.947 39.719 39.000 -0.379 0.000 1.322 231 F HN 0.524 nan 8.300 nan 0.000 0.479 232 N N -0.037 118.634 118.700 -0.048 0.000 2.405 232 N HA 0.079 4.819 4.740 -0.000 0.000 0.269 232 N C 0.454 175.843 175.510 -0.200 0.000 1.249 232 N CA -0.112 52.885 53.050 -0.089 0.000 0.974 232 N CB 0.133 38.599 38.487 -0.035 0.000 1.204 232 N HN 0.677 nan 8.380 nan 0.000 0.565 233 D N -0.806 119.526 120.400 -0.114 0.000 2.133 233 D HA -0.270 4.370 4.640 -0.000 0.000 0.195 233 D C 0.517 176.782 176.300 -0.059 0.000 0.997 233 D CA 1.844 55.789 54.000 -0.093 0.000 0.840 233 D CB -0.632 40.157 40.800 -0.017 0.000 0.947 233 D HN 0.754 nan 8.370 nan 0.000 0.452 234 D N -1.390 119.017 120.400 0.012 0.000 2.388 234 D HA -0.006 4.634 4.640 -0.000 0.000 0.221 234 D C 0.066 176.546 176.300 0.300 0.000 1.133 234 D CA -0.914 53.185 54.000 0.166 0.000 0.831 234 D CB -1.037 39.837 40.800 0.125 0.000 0.962 234 D HN 0.221 nan 8.370 nan 0.000 0.502 235 F N 0.500 120.500 119.950 0.084 0.000 3.084 235 F HA -0.289 4.238 4.527 -0.000 0.000 0.286 235 F C 1.639 177.511 175.800 0.121 0.000 0.855 235 F CA 0.870 58.934 58.000 0.106 0.000 1.091 235 F CB -2.519 36.449 39.000 -0.054 0.000 1.177 235 F HN 0.225 nan 8.300 nan 0.000 0.542 236 S N -1.422 114.391 115.700 0.188 0.000 2.528 236 S HA 0.242 4.712 4.470 -0.000 0.000 0.219 236 S C 0.705 175.361 174.600 0.094 0.000 0.985 236 S CA -0.070 58.207 58.200 0.129 0.000 0.914 236 S CB 0.465 63.716 63.200 0.085 0.000 0.776 236 S HN 0.403 nan 8.310 nan 0.000 0.526 237 R N 0.256 120.818 120.500 0.103 0.000 2.673 237 R HA 0.797 5.137 4.340 -0.000 0.000 0.281 237 R C -1.408 174.926 176.300 0.058 0.000 0.991 237 R CA -0.336 55.792 56.100 0.047 0.000 0.896 237 R CB 2.286 32.592 30.300 0.008 0.000 1.201 237 R HN 0.258 nan 8.270 nan 0.000 0.457 238 A N 1.507 124.306 122.820 -0.035 0.000 2.556 238 A HA 0.715 5.035 4.320 -0.000 0.000 0.294 238 A C -1.360 176.145 177.584 -0.131 0.000 1.091 238 A CA -0.622 51.322 52.037 -0.156 0.000 0.704 238 A CB 2.176 21.070 19.000 -0.178 0.000 1.300 238 A HN 0.329 nan 8.150 nan 0.000 0.406 239 V N 1.763 121.571 119.914 -0.178 0.000 2.483 239 V HA 0.428 4.548 4.120 -0.000 0.000 0.297 239 V C -0.552 175.475 176.094 -0.111 0.000 1.027 239 V CA -0.331 61.904 62.300 -0.108 0.000 0.855 239 V CB 1.398 33.159 31.823 -0.103 0.000 0.995 239 V HN 0.810 nan 8.190 nan 0.000 0.424 240 L N 4.646 125.843 121.223 -0.043 0.000 2.275 240 L HA 0.621 4.961 4.340 -0.000 0.000 0.288 240 L C -0.002 176.825 176.870 -0.072 0.000 1.046 240 L CA 0.005 54.795 54.840 -0.083 0.000 0.805 240 L CB 1.136 43.177 42.059 -0.030 0.000 1.193 240 L HN 0.785 nan 8.230 nan 0.000 0.426 241 E N 4.473 124.625 120.200 -0.080 0.000 2.165 241 E HA 0.651 5.001 4.350 -0.000 0.000 0.266 241 E C -1.463 175.123 176.600 -0.023 0.000 0.889 241 E CA -0.762 55.608 56.400 -0.049 0.000 0.756 241 E CB 1.720 31.392 29.700 -0.048 0.000 1.131 241 E HN 0.716 nan 8.360 nan 0.000 0.411 242 A N 4.600 127.413 122.820 -0.012 0.000 2.319 242 A HA 0.335 4.655 4.320 -0.000 0.000 0.310 242 A C -0.762 176.826 177.584 0.007 0.000 1.152 242 A CA -0.671 51.380 52.037 0.024 0.000 0.783 242 A CB 1.202 20.214 19.000 0.019 0.000 1.184 242 A HN 0.728 nan 8.150 nan 0.000 0.474 243 E N 2.568 122.781 120.200 0.021 0.000 2.134 243 E HA 0.541 4.891 4.350 -0.000 0.000 0.278 243 E C -1.390 175.184 176.600 -0.043 0.000 0.959 243 E CA -0.373 55.999 56.400 -0.047 0.000 0.783 243 E CB 1.194 30.836 29.700 -0.098 0.000 1.095 243 E HN 0.393 nan 8.360 nan 0.000 0.399 244 V N 4.739 124.636 119.914 -0.028 0.000 2.495 244 V HA 0.297 4.417 4.120 -0.000 0.000 0.298 244 V C -0.410 175.743 176.094 0.098 0.000 1.031 244 V CA -0.774 61.556 62.300 0.049 0.000 0.871 244 V CB 1.672 33.501 31.823 0.011 0.000 0.988 244 V HN 0.741 nan 8.190 nan 0.000 0.432 245 Q N 3.994 123.861 119.800 0.112 0.000 2.342 245 Q HA 0.812 5.152 4.340 -0.000 0.000 0.267 245 Q C -0.694 175.382 176.000 0.126 0.000 1.038 245 Q CA -0.809 55.062 55.803 0.114 0.000 0.832 245 Q CB 2.553 31.288 28.738 -0.005 0.000 1.323 245 Q HN 0.819 nan 8.270 nan 0.000 0.448 246 M N -0.652 118.968 119.600 0.034 0.000 2.690 246 M HA 0.776 5.256 4.480 -0.000 0.000 0.302 246 M C -1.386 174.824 176.300 -0.149 0.000 1.234 246 M CA -0.581 54.650 55.300 -0.116 0.000 0.853 246 M CB 1.463 33.817 32.600 -0.411 0.000 1.748 246 M HN 0.532 nan 8.290 nan 0.000 0.469 247 C N 0.383 119.597 119.300 -0.143 0.000 2.889 247 C HA 1.037 5.497 4.460 -0.000 0.000 0.307 247 C C 0.585 175.492 174.990 -0.138 0.000 1.251 247 C CA 0.549 59.498 59.018 -0.115 0.000 1.593 247 C CB 1.169 28.867 27.740 -0.070 0.000 2.104 247 C HN 1.457 nan 8.230 nan 0.000 0.476 248 G N 1.362 110.094 108.800 -0.114 0.000 2.409 248 G HA2 0.011 3.971 3.960 -0.000 0.000 0.421 248 G HA3 0.011 3.971 3.960 -0.000 0.000 0.421 248 G C -1.062 173.765 174.900 -0.120 0.000 1.259 248 G CA -0.439 44.597 45.100 -0.106 0.000 1.011 248 G HN 0.933 nan 8.290 nan 0.000 0.497 249 E N -0.126 120.010 120.200 -0.107 0.000 2.229 249 E HA 0.477 4.827 4.350 -0.000 0.000 0.283 249 E C 0.302 176.802 176.600 -0.166 0.000 1.030 249 E CA -0.539 55.795 56.400 -0.111 0.000 0.836 249 E CB 0.412 30.069 29.700 -0.072 0.000 1.068 249 E HN 0.450 nan 8.360 nan 0.000 0.401 250 L N 5.236 126.350 121.223 -0.181 0.000 2.367 250 L HA 0.319 4.659 4.340 -0.000 0.000 0.275 250 L C 0.257 176.984 176.870 -0.238 0.000 1.129 250 L CA -0.296 54.406 54.840 -0.229 0.000 0.839 250 L CB 0.403 42.349 42.059 -0.189 0.000 1.133 250 L HN 0.397 nan 8.230 nan 0.000 0.453 251 R N 1.927 122.218 120.500 -0.348 0.000 2.686 251 R HA 0.225 4.565 4.340 -0.000 0.000 0.283 251 R C -0.039 175.977 176.300 -0.474 0.000 0.978 251 R CA -0.822 54.954 56.100 -0.539 0.000 0.897 251 R CB 1.502 31.110 30.300 -1.153 0.000 1.192 251 R HN 0.507 nan 8.270 nan 0.000 0.457 252 D N 1.254 121.460 120.400 -0.324 0.000 2.309 252 D HA -0.140 4.500 4.640 -0.000 0.000 0.212 252 D C 1.398 177.650 176.300 -0.081 0.000 0.968 252 D CA 1.468 55.383 54.000 -0.142 0.000 0.882 252 D CB 0.195 40.963 40.800 -0.052 0.000 0.918 252 D HN 0.574 nan 8.370 nan 0.000 0.503 253 Y N -0.102 120.210 120.300 0.020 0.000 2.523 253 Y HA 0.256 4.806 4.550 -0.000 0.000 0.279 253 Y C 0.962 176.868 175.900 0.010 0.000 1.139 253 Y CA -0.541 57.569 58.100 0.015 0.000 1.296 253 Y CB -0.861 37.608 38.460 0.016 0.000 1.045 253 Y HN -0.212 nan 8.280 nan 0.000 0.538 254 L N 3.030 124.250 121.223 -0.006 0.000 2.485 254 L HA 0.183 4.523 4.340 -0.000 0.000 0.275 254 L C 0.247 177.152 176.870 0.057 0.000 1.207 254 L CA 0.334 55.238 54.840 0.106 0.000 0.855 254 L CB 0.307 42.412 42.059 0.075 0.000 1.114 254 L HN 0.224 nan 8.230 nan 0.000 0.485 255 R N 2.225 122.656 120.500 -0.114 0.000 2.799 255 R HA 0.708 5.048 4.340 -0.000 0.000 0.270 255 R C -1.508 174.492 176.300 -0.499 0.000 1.010 255 R CA -0.822 55.058 56.100 -0.367 0.000 0.916 255 R CB 2.235 32.217 30.300 -0.530 0.000 1.228 255 R HN 0.268 nan 8.270 nan 0.000 0.469 256 V N 0.865 120.515 119.914 -0.440 0.000 2.638 256 V HA 0.475 4.595 4.120 -0.000 0.000 0.306 256 V C -0.492 175.552 176.094 -0.084 0.000 1.052 256 V CA -0.558 61.577 62.300 -0.275 0.000 0.885 256 V CB 2.313 33.895 31.823 -0.402 0.000 0.999 256 V HN 0.725 nan 8.190 nan 0.000 0.424 257 T N 4.051 118.667 114.554 0.103 0.000 2.824 257 T HA 0.606 4.956 4.350 -0.000 0.000 0.282 257 T C -0.687 174.033 174.700 0.032 0.000 0.993 257 T CA -0.377 61.793 62.100 0.117 0.000 0.967 257 T CB 1.715 70.705 68.868 0.204 0.000 0.960 257 T HN 0.336 nan 8.240 nan 0.000 0.441 258 V N 3.412 123.325 119.914 -0.003 0.000 2.378 258 V HA 0.521 4.641 4.120 -0.000 0.000 0.288 258 V C -0.137 175.961 176.094 0.007 0.000 1.016 258 V CA -0.633 61.659 62.300 -0.013 0.000 0.840 258 V CB 1.722 33.523 31.823 -0.037 0.000 0.994 258 V HN 0.947 nan 8.190 nan 0.000 0.431 259 S N 5.223 120.958 115.700 0.058 0.000 2.472 259 S HA 0.725 5.195 4.470 -0.000 0.000 0.303 259 S C -0.741 173.923 174.600 0.106 0.000 1.099 259 S CA -0.473 57.756 58.200 0.048 0.000 1.077 259 S CB 1.748 65.067 63.200 0.198 0.000 1.031 259 S HN 0.541 nan 8.310 nan 0.000 0.487 260 L N 3.395 124.593 121.223 -0.042 0.000 2.313 260 L HA 0.716 5.056 4.340 -0.000 0.000 0.283 260 L C -1.840 175.027 176.870 -0.005 0.000 1.013 260 L CA -0.197 54.705 54.840 0.104 0.000 0.816 260 L CB 0.490 42.605 42.059 0.093 0.000 1.236 260 L HN 0.713 nan 8.230 nan 0.000 0.419 261 W N 3.229 124.633 121.300 0.173 0.000 2.799 261 W HA 0.668 5.328 4.660 -0.000 0.000 0.349 261 W C -0.704 175.891 176.519 0.128 0.000 1.100 261 W CA -0.564 56.856 57.345 0.124 0.000 1.174 261 W CB 1.445 30.929 29.460 0.040 0.000 1.427 261 W HN 0.391 nan 8.180 nan 0.000 0.547 262 Q N 1.655 121.613 119.800 0.263 0.000 2.490 262 Q HA 0.521 4.861 4.340 -0.000 0.000 0.255 262 Q C 0.370 176.421 176.000 0.084 0.000 0.997 262 Q CA 0.551 56.361 55.803 0.012 0.000 0.709 262 Q CB 0.835 29.515 28.738 -0.096 0.000 1.255 262 Q HN 0.762 nan 8.270 nan 0.000 0.486 263 G N 2.793 111.637 108.800 0.073 0.000 2.531 263 G HA2 -0.336 3.624 3.960 -0.000 0.000 0.274 263 G HA3 -0.336 3.624 3.960 -0.000 0.000 0.274 263 G C 0.286 175.267 174.900 0.136 0.000 1.159 263 G CA 0.292 45.428 45.100 0.060 0.000 0.969 263 G HN 0.609 nan 8.290 nan 0.000 0.554 264 E N 0.875 121.157 120.200 0.136 0.000 2.444 264 E HA 0.236 4.586 4.350 -0.000 0.000 0.191 264 E C 0.114 176.964 176.600 0.415 0.000 1.041 264 E CA 0.404 56.927 56.400 0.204 0.000 0.883 264 E CB 0.318 30.071 29.700 0.088 0.000 1.024 264 E HN 0.318 nan 8.360 nan 0.000 0.470 265 T N 1.366 116.125 114.554 0.342 0.000 2.767 265 T HA 0.134 4.484 4.350 -0.000 0.000 0.284 265 T C -0.283 174.415 174.700 -0.003 0.000 0.973 265 T CA -0.441 61.761 62.100 0.170 0.000 0.996 265 T CB 1.666 70.571 68.868 0.063 0.000 0.927 265 T HN 0.047 nan 8.240 nan 0.000 0.456 266 Q N 2.770 122.283 119.800 -0.478 0.000 2.294 266 Q HA 0.357 4.697 4.340 -0.000 0.000 0.257 266 Q C 0.892 176.631 176.000 -0.436 0.000 0.955 266 Q CA -0.517 54.682 55.803 -1.006 0.000 0.936 266 Q CB 0.842 28.757 28.738 -1.372 0.000 1.188 266 Q HN 0.673 nan 8.270 nan 0.000 0.420 267 V N 0.932 120.669 119.914 -0.295 0.000 3.431 267 V HA 0.619 4.739 4.120 -0.000 0.000 0.253 267 V C 0.255 176.263 176.094 -0.143 0.000 1.184 267 V CA 0.744 62.966 62.300 -0.131 0.000 1.104 267 V CB 0.180 32.014 31.823 0.018 0.000 0.799 267 V HN 0.650 nan 8.190 nan 0.000 0.462 268 A N -0.764 121.944 122.820 -0.187 0.000 2.608 268 A HA 0.830 5.150 4.320 -0.000 0.000 0.292 268 A C -0.677 176.813 177.584 -0.158 0.000 1.066 268 A CA 0.215 52.168 52.037 -0.141 0.000 0.676 268 A CB 1.592 20.539 19.000 -0.087 0.000 1.277 268 A HN 0.734 nan 8.150 nan 0.000 0.413 269 S N -1.000 114.632 115.700 -0.113 0.000 2.543 269 S HA 0.778 5.248 4.470 -0.000 0.000 0.274 269 S C -0.647 173.918 174.600 -0.058 0.000 1.149 269 S CA 0.206 58.352 58.200 -0.090 0.000 0.866 269 S CB 1.659 64.794 63.200 -0.109 0.000 1.111 269 S HN 2.309 nan 8.310 nan 0.000 0.457 270 G N 1.639 110.415 108.800 -0.040 0.000 2.719 270 G HA2 0.644 4.604 3.960 -0.000 0.000 0.298 270 G HA3 0.644 4.604 3.960 -0.000 0.000 0.298 270 G C -1.360 173.527 174.900 -0.023 0.000 1.411 270 G CA -0.398 44.680 45.100 -0.036 0.000 0.991 270 G HN 0.703 nan 8.290 nan 0.000 0.509 271 T N -0.104 114.438 114.554 -0.020 0.000 2.893 271 T HA 0.871 5.221 4.350 -0.000 0.000 0.293 271 T C -0.324 174.346 174.700 -0.051 0.000 1.027 271 T CA -0.046 62.049 62.100 -0.007 0.000 0.988 271 T CB 1.871 70.769 68.868 0.050 0.000 1.043 271 T HN 1.618 nan 8.240 nan 0.000 0.461 272 A N 3.297 126.055 122.820 -0.104 0.000 2.597 272 A HA 0.885 5.205 4.320 -0.000 0.000 0.292 272 A C -3.148 174.315 177.584 -0.203 0.000 1.057 272 A CA -1.430 50.529 52.037 -0.129 0.000 0.674 272 A CB 1.280 20.200 19.000 -0.133 0.000 1.278 272 A HN 0.537 nan 8.150 nan 0.000 0.416 273 P HA 0.579 nan 4.420 nan 0.000 0.280 273 P C -0.649 176.545 177.300 -0.177 0.000 1.272 273 P CA -0.349 62.674 63.100 -0.129 0.000 0.819 273 P CB 0.526 32.204 31.700 -0.037 0.000 1.122 274 F N -0.203 119.708 119.950 -0.065 0.000 2.450 274 F HA 0.457 4.983 4.527 -0.000 0.000 0.339 274 F C 1.510 177.292 175.800 -0.031 0.000 1.146 274 F CA 1.572 59.543 58.000 -0.048 0.000 1.267 274 F CB 0.218 39.184 39.000 -0.056 0.000 1.178 274 F HN 0.599 nan 8.300 nan 0.000 0.585 275 G N 1.674 110.584 108.800 0.182 0.000 2.344 275 G HA2 0.320 4.280 3.960 -0.000 0.000 0.252 275 G HA3 0.320 4.280 3.960 -0.000 0.000 0.252 275 G C -0.301 174.643 174.900 0.074 0.000 1.415 275 G CA -0.729 44.437 45.100 0.110 0.000 1.224 275 G HN 1.055 nan 8.290 nan 0.000 0.616 276 G N 0.589 109.455 108.800 0.109 0.000 2.653 276 G HA2 0.605 4.565 3.960 -0.000 0.000 0.265 276 G HA3 0.605 4.565 3.960 -0.000 0.000 0.265 276 G C 0.540 175.481 174.900 0.068 0.000 1.237 276 G CA 0.071 45.225 45.100 0.090 0.000 0.946 276 G HN 1.116 nan 8.290 nan 0.000 0.522 277 E N -0.961 119.273 120.200 0.057 0.000 2.408 277 E HA 0.130 4.480 4.350 -0.000 0.000 0.259 277 E C -0.224 176.403 176.600 0.045 0.000 1.110 277 E CA -0.464 55.960 56.400 0.039 0.000 0.929 277 E CB 0.839 30.557 29.700 0.031 0.000 0.971 277 E HN 0.286 nan 8.360 nan 0.000 0.438 278 I N 2.693 123.277 120.570 0.023 0.000 2.598 278 I HA -0.062 4.108 4.170 -0.000 0.000 0.284 278 I C 1.215 177.343 176.117 0.019 0.000 1.140 278 I CA 0.329 61.636 61.300 0.011 0.000 1.420 278 I CB 0.286 38.286 38.000 0.001 0.000 1.387 278 I HN 0.644 nan 8.210 nan 0.000 0.553 279 I N 2.023 122.602 120.570 0.015 0.000 3.790 279 I HA 0.274 4.444 4.170 -0.000 0.000 0.305 279 I C -0.081 176.041 176.117 0.008 0.000 1.253 279 I CA 0.098 61.416 61.300 0.029 0.000 1.355 279 I CB 0.437 38.482 38.000 0.075 0.000 1.137 279 I HN 0.615 nan 8.210 nan 0.000 0.435 280 D N -0.443 119.948 120.400 -0.015 0.000 2.825 280 D HA 0.195 4.835 4.640 -0.000 0.000 0.327 280 D C 0.270 176.555 176.300 -0.024 0.000 1.277 280 D CA -0.527 53.463 54.000 -0.017 0.000 0.950 280 D CB 0.553 41.342 40.800 -0.019 0.000 1.438 280 D HN -0.138 nan 8.370 nan 0.000 0.526 281 E N -1.054 119.133 120.200 -0.022 0.000 2.267 281 E HA -0.052 4.298 4.350 -0.000 0.000 0.197 281 E C 1.220 177.802 176.600 -0.030 0.000 0.998 281 E CA 0.940 57.327 56.400 -0.022 0.000 0.830 281 E CB -0.015 29.675 29.700 -0.017 0.000 0.751 281 E HN 0.205 nan 8.360 nan 0.000 0.491 282 R N -0.319 120.155 120.500 -0.044 0.000 2.359 282 R HA 0.298 4.638 4.340 -0.000 0.000 0.231 282 R C 0.765 177.023 176.300 -0.070 0.000 0.913 282 R CA 0.662 56.729 56.100 -0.055 0.000 1.075 282 R CB 0.562 30.823 30.300 -0.066 0.000 1.087 282 R HN 0.208 nan 8.270 nan 0.000 0.515 283 G N -0.599 108.163 108.800 -0.063 0.000 2.418 283 G HA2 -0.114 3.846 3.960 -0.000 0.000 0.206 283 G HA3 -0.114 3.846 3.960 -0.000 0.000 0.206 283 G C -0.191 174.660 174.900 -0.082 0.000 1.202 283 G CA -0.615 44.447 45.100 -0.063 0.000 1.061 283 G HN 0.475 nan 8.290 nan 0.000 0.563 284 G N -2.086 106.661 108.800 -0.088 0.000 3.086 284 G HA2 0.654 4.614 3.960 -0.000 0.000 0.282 284 G HA3 0.654 4.614 3.960 -0.000 0.000 0.282 284 G C -1.611 173.197 174.900 -0.153 0.000 1.343 284 G CA -0.681 44.372 45.100 -0.079 0.000 0.895 284 G HN 0.806 nan 8.290 nan 0.000 0.557 285 Y N 0.926 121.236 120.300 0.017 0.000 2.425 285 Y HA 0.453 5.003 4.550 -0.000 0.000 0.347 285 Y C 1.369 177.293 175.900 0.040 0.000 0.976 285 Y CA 0.148 58.262 58.100 0.024 0.000 1.190 285 Y CB 1.794 40.273 38.460 0.031 0.000 1.136 285 Y HN 0.536 nan 8.280 nan 0.000 0.517 286 A N 1.832 124.725 122.820 0.121 0.000 2.067 286 A HA -0.107 4.213 4.320 -0.000 0.000 0.217 286 A C 1.394 179.050 177.584 0.120 0.000 1.156 286 A CA 1.210 53.304 52.037 0.096 0.000 0.683 286 A CB -0.216 18.797 19.000 0.021 0.000 0.808 286 A HN 0.792 nan 8.150 nan 0.000 0.455 287 D N -0.676 119.796 120.400 0.119 0.000 2.358 287 D HA 0.120 4.760 4.640 -0.000 0.000 0.224 287 D C 0.435 176.854 176.300 0.199 0.000 1.123 287 D CA -0.026 53.976 54.000 0.003 0.000 0.833 287 D CB 0.005 40.779 40.800 -0.044 0.000 0.946 287 D HN 0.367 nan 8.370 nan 0.000 0.505 288 R N -0.766 119.960 120.500 0.376 0.000 2.836 288 R HA 0.732 5.072 4.340 -0.000 0.000 0.269 288 R C -1.618 174.816 176.300 0.224 0.000 1.010 288 R CA -1.107 55.180 56.100 0.311 0.000 0.930 288 R CB 3.069 33.418 30.300 0.082 0.000 1.218 288 R HN -0.021 nan 8.270 nan 0.000 0.473 289 V N 0.349 120.270 119.914 0.012 0.000 3.077 289 V HA 0.497 4.617 4.120 -0.000 0.000 0.299 289 V C -1.610 174.415 176.094 -0.116 0.000 1.276 289 V CA -0.272 61.947 62.300 -0.134 0.000 0.993 289 V CB 2.758 34.319 31.823 -0.436 0.000 1.076 289 V HN 0.816 nan 8.190 nan 0.000 0.434 290 T N 7.290 121.790 114.554 -0.089 0.000 2.812 290 T HA 0.620 4.970 4.350 -0.000 0.000 0.282 290 T C -0.998 173.658 174.700 -0.073 0.000 0.990 290 T CA -0.430 61.629 62.100 -0.069 0.000 0.960 290 T CB 1.131 69.974 68.868 -0.041 0.000 0.948 290 T HN 0.461 nan 8.240 nan 0.000 0.438 291 L N 3.365 124.546 121.223 -0.070 0.000 2.334 291 L HA 0.609 4.949 4.340 -0.000 0.000 0.275 291 L C 0.445 177.286 176.870 -0.049 0.000 1.036 291 L CA -0.545 54.256 54.840 -0.065 0.000 0.807 291 L CB 1.339 43.357 42.059 -0.068 0.000 1.231 291 L HN 0.551 nan 8.230 nan 0.000 0.438 292 R N 3.772 124.244 120.500 -0.047 0.000 2.476 292 R HA 0.694 5.034 4.340 -0.000 0.000 0.305 292 R C -1.205 175.070 176.300 -0.043 0.000 0.965 292 R CA -0.695 55.379 56.100 -0.044 0.000 0.867 292 R CB 2.113 32.387 30.300 -0.043 0.000 1.176 292 R HN 0.473 nan 8.270 nan 0.000 0.447 293 L N 2.624 123.824 121.223 -0.039 0.000 2.341 293 L HA 0.476 4.816 4.340 -0.000 0.000 0.278 293 L C -0.245 176.601 176.870 -0.039 0.000 1.005 293 L CA -1.183 53.634 54.840 -0.038 0.000 0.818 293 L CB 1.690 43.731 42.059 -0.029 0.000 1.259 293 L HN 0.437 nan 8.230 nan 0.000 0.418 294 N N 2.229 120.899 118.700 -0.049 0.000 2.455 294 N HA 0.410 5.150 4.740 -0.000 0.000 0.280 294 N C -0.843 174.621 175.510 -0.076 0.000 1.055 294 N CA -0.242 52.774 53.050 -0.058 0.000 0.961 294 N CB 2.634 41.090 38.487 -0.052 0.000 1.121 294 N HN 0.231 nan 8.380 nan 0.000 0.476 295 V N 2.239 122.091 119.914 -0.104 0.000 2.409 295 V HA 0.193 4.313 4.120 -0.000 0.000 0.290 295 V C -0.138 175.869 176.094 -0.146 0.000 1.017 295 V CA -0.884 61.312 62.300 -0.174 0.000 0.841 295 V CB 1.743 33.340 31.823 -0.376 0.000 1.003 295 V HN 0.450 nan 8.190 nan 0.000 0.426 296 E N 2.848 122.990 120.200 -0.097 0.000 2.283 296 E HA 0.282 4.632 4.350 -0.000 0.000 0.278 296 E C 0.301 176.873 176.600 -0.045 0.000 1.027 296 E CA -0.372 55.996 56.400 -0.054 0.000 0.843 296 E CB 0.521 30.201 29.700 -0.033 0.000 1.062 296 E HN 0.745 nan 8.360 nan 0.000 0.401 297 N N 1.318 120.013 118.700 -0.008 0.000 2.705 297 N HA -0.149 4.591 4.740 -0.000 0.000 0.255 297 N C -2.403 173.108 175.510 0.000 0.000 1.008 297 N CA 0.010 53.072 53.050 0.019 0.000 0.742 297 N CB -0.895 37.605 38.487 0.022 0.000 0.906 297 N HN 0.344 nan 8.380 nan 0.000 0.541 298 P HA -0.020 nan 4.420 nan 0.000 0.269 298 P C -0.553 176.774 177.300 0.046 0.000 1.209 298 P CA 0.403 63.398 63.100 -0.175 0.000 0.776 298 P CB 0.744 32.139 31.700 -0.508 0.000 0.876 299 K N 2.894 123.412 120.400 0.197 0.000 2.316 299 K HA 0.296 4.616 4.320 -0.000 0.000 0.289 299 K C 0.231 177.002 176.600 0.285 0.000 1.070 299 K CA -0.462 55.949 56.287 0.207 0.000 0.928 299 K CB 0.303 32.904 32.500 0.169 0.000 1.039 299 K HN 0.436 nan 8.250 nan 0.000 0.480 300 L N 2.722 124.035 121.223 0.150 0.000 2.397 300 L HA 0.240 4.580 4.340 -0.000 0.000 0.271 300 L C 0.043 176.980 176.870 0.113 0.000 1.148 300 L CA -0.696 54.218 54.840 0.124 0.000 0.825 300 L CB 0.267 42.239 42.059 -0.146 0.000 1.117 300 L HN 0.605 nan 8.230 nan 0.000 0.456 301 W N 3.967 125.294 121.300 0.045 0.000 2.365 301 W HA 0.479 5.139 4.660 -0.000 0.000 0.316 301 W C 0.054 176.526 176.519 -0.079 0.000 1.164 301 W CA 0.146 57.508 57.345 0.027 0.000 1.204 301 W CB 1.272 30.800 29.460 0.114 0.000 1.213 301 W HN 0.644 nan 8.180 nan 0.000 0.539 302 S N 2.962 118.062 115.700 -1.000 0.000 2.611 302 S HA 0.599 5.069 4.470 -0.000 0.000 0.268 302 S C 0.003 173.833 174.600 -1.283 0.000 1.156 302 S CA -0.372 57.312 58.200 -0.859 0.000 0.817 302 S CB 1.012 63.953 63.200 -0.431 0.000 1.122 302 S HN 1.051 nan 8.310 nan 0.000 0.466 303 A N 0.381 122.617 122.820 -0.973 0.000 2.066 303 A HA 0.099 4.419 4.320 -0.000 0.000 0.218 303 A C 1.710 178.997 177.584 -0.495 0.000 1.157 303 A CA 1.355 52.842 52.037 -0.917 0.000 0.670 303 A CB -0.867 17.431 19.000 -1.170 0.000 0.804 303 A HN 0.856 nan 8.150 nan 0.000 0.453 304 E N -0.727 119.307 120.200 -0.276 0.000 2.076 304 E HA 0.087 4.437 4.350 -0.000 0.000 0.190 304 E C -0.198 176.274 176.600 -0.213 0.000 0.979 304 E CA 0.668 56.969 56.400 -0.166 0.000 0.807 304 E CB 0.059 29.793 29.700 0.056 0.000 0.761 304 E HN 0.573 nan 8.360 nan 0.000 0.454 305 I N 2.103 122.516 120.570 -0.261 0.000 2.542 305 I HA 0.149 4.319 4.170 -0.000 0.000 0.278 305 I C -2.412 173.476 176.117 -0.381 0.000 1.069 305 I CA -1.842 59.320 61.300 -0.231 0.000 1.100 305 I CB 2.189 40.108 38.000 -0.136 0.000 1.204 305 I HN -0.190 nan 8.210 nan 0.000 0.470 306 P HA 0.024 nan 4.420 nan 0.000 0.238 306 P C -0.482 176.817 177.300 -0.001 0.000 1.714 306 P CA -0.176 62.632 63.100 -0.487 0.000 0.908 306 P CB -0.308 31.274 31.700 -0.197 0.000 1.893 307 N N 1.440 120.155 118.700 0.025 0.000 2.411 307 N HA 0.068 4.808 4.740 -0.000 0.000 0.261 307 N C 0.124 175.864 175.510 0.384 0.000 1.248 307 N CA 0.627 53.773 53.050 0.159 0.000 0.885 307 N CB 0.647 39.224 38.487 0.149 0.000 1.062 307 N HN 0.330 nan 8.380 nan 0.000 0.471 308 L N 2.506 123.874 121.223 0.242 0.000 2.388 308 L HA 0.464 4.804 4.340 -0.000 0.000 0.264 308 L C -0.907 176.062 176.870 0.164 0.000 0.998 308 L CA -0.857 54.165 54.840 0.303 0.000 0.817 308 L CB 1.365 43.569 42.059 0.241 0.000 1.338 308 L HN 0.382 nan 8.230 nan 0.000 0.414 309 Y N 0.447 120.892 120.300 0.242 0.000 2.587 309 Y HA 0.641 5.191 4.550 -0.000 0.000 0.337 309 Y C -0.172 175.844 175.900 0.192 0.000 1.065 309 Y CA -0.838 57.407 58.100 0.241 0.000 1.126 309 Y CB 1.766 40.434 38.460 0.347 0.000 1.279 309 Y HN 0.372 nan 8.280 nan 0.000 0.489 310 R N 1.331 122.050 120.500 0.365 0.000 2.343 310 R HA 0.788 5.128 4.340 -0.000 0.000 0.320 310 R C -1.548 174.928 176.300 0.294 0.000 0.956 310 R CA -0.577 55.671 56.100 0.246 0.000 0.836 310 R CB 0.852 31.233 30.300 0.134 0.000 1.151 310 R HN 0.732 nan 8.270 nan 0.000 0.450 311 A N 4.089 127.024 122.820 0.193 0.000 2.276 311 A HA 0.590 4.910 4.320 -0.000 0.000 0.316 311 A C -0.996 176.627 177.584 0.064 0.000 1.229 311 A CA -0.648 51.479 52.037 0.150 0.000 0.851 311 A CB 1.160 20.215 19.000 0.091 0.000 1.165 311 A HN 0.492 nan 8.150 nan 0.000 0.513 312 V N 3.704 123.669 119.914 0.084 0.000 2.384 312 V HA 0.336 4.456 4.120 -0.000 0.000 0.287 312 V C -0.272 175.788 176.094 -0.056 0.000 1.020 312 V CA -0.495 61.796 62.300 -0.015 0.000 0.850 312 V CB 1.510 33.341 31.823 0.014 0.000 0.987 312 V HN 0.606 nan 8.190 nan 0.000 0.436 313 V N 5.082 124.896 119.914 -0.166 0.000 2.333 313 V HA 0.387 4.507 4.120 -0.000 0.000 0.274 313 V C 0.032 176.071 176.094 -0.091 0.000 1.028 313 V CA -0.517 61.668 62.300 -0.191 0.000 0.851 313 V CB 1.169 32.725 31.823 -0.445 0.000 1.000 313 V HN 0.919 nan 8.190 nan 0.000 0.456 314 E N 4.052 124.252 120.200 0.000 0.000 2.133 314 E HA 0.440 4.790 4.350 -0.000 0.000 0.274 314 E C -0.920 175.780 176.600 0.167 0.000 0.930 314 E CA -0.844 55.608 56.400 0.087 0.000 0.770 314 E CB 2.298 32.065 29.700 0.110 0.000 1.104 314 E HN 0.477 nan 8.360 nan 0.000 0.403 315 L N 5.073 126.368 121.223 0.120 0.000 2.261 315 L HA 0.326 4.666 4.340 -0.000 0.000 0.289 315 L C -0.761 176.213 176.870 0.175 0.000 1.059 315 L CA 0.301 55.211 54.840 0.116 0.000 0.816 315 L CB -0.409 41.706 42.059 0.094 0.000 1.191 315 L HN 0.667 nan 8.230 nan 0.000 0.431 316 H N 0.669 119.789 119.070 0.083 0.000 3.448 316 H HA 0.885 5.441 4.556 -0.000 0.000 0.311 316 H C -0.662 174.743 175.328 0.129 0.000 1.666 316 H CA -0.407 55.691 56.048 0.082 0.000 1.221 316 H CB 0.831 30.621 29.762 0.046 0.000 1.749 316 H HN 0.438 nan 8.280 nan 0.000 0.659 317 T N -2.746 111.949 114.554 0.235 0.000 2.942 317 T HA 0.605 4.955 4.350 -0.000 0.000 0.289 317 T C 1.186 176.015 174.700 0.216 0.000 1.044 317 T CA -0.481 61.733 62.100 0.191 0.000 1.023 317 T CB 1.726 70.653 68.868 0.099 0.000 1.123 317 T HN 0.912 nan 8.240 nan 0.000 0.512 318 A N 1.040 123.955 122.820 0.158 0.000 1.972 318 A HA -0.046 4.274 4.320 -0.000 0.000 0.219 318 A C 1.703 179.357 177.584 0.117 0.000 1.169 318 A CA 1.690 53.806 52.037 0.131 0.000 0.635 318 A CB -0.972 18.092 19.000 0.107 0.000 0.810 318 A HN 0.942 nan 8.150 nan 0.000 0.446 319 D N -1.569 118.880 120.400 0.083 0.000 2.349 319 D HA 0.288 4.928 4.640 -0.000 0.000 0.224 319 D C 1.010 177.339 176.300 0.048 0.000 1.029 319 D CA 0.720 54.748 54.000 0.047 0.000 0.879 319 D CB -0.713 40.091 40.800 0.008 0.000 0.906 319 D HN 0.840 nan 8.370 nan 0.000 0.528 320 G N -0.232 108.625 108.800 0.096 0.000 2.270 320 G HA2 -0.184 3.776 3.960 -0.000 0.000 0.224 320 G HA3 -0.184 3.776 3.960 -0.000 0.000 0.224 320 G C -0.180 174.741 174.900 0.035 0.000 1.079 320 G CA -0.092 45.039 45.100 0.053 0.000 0.807 320 G HN 0.333 nan 8.290 nan 0.000 0.492 321 T N 0.704 115.307 114.554 0.081 0.000 2.786 321 T HA 0.544 4.894 4.350 -0.000 0.000 0.283 321 T C 0.083 174.845 174.700 0.104 0.000 0.992 321 T CA -0.503 61.630 62.100 0.054 0.000 0.954 321 T CB 1.917 70.796 68.868 0.017 0.000 0.934 321 T HN 0.638 nan 8.240 nan 0.000 0.440 322 L N 4.803 126.067 121.223 0.069 0.000 2.367 322 L HA 0.439 4.779 4.340 -0.000 0.000 0.275 322 L C 0.565 177.485 176.870 0.084 0.000 1.129 322 L CA 0.378 55.272 54.840 0.090 0.000 0.839 322 L CB 0.093 42.178 42.059 0.043 0.000 1.133 322 L HN 0.734 nan 8.230 nan 0.000 0.453 323 I N 2.292 122.922 120.570 0.100 0.000 2.947 323 I HA 0.243 4.412 4.170 -0.000 0.000 0.263 323 I C 0.328 176.470 176.117 0.043 0.000 1.130 323 I CA 0.176 61.516 61.300 0.067 0.000 1.448 323 I CB 0.323 38.367 38.000 0.073 0.000 1.222 323 I HN 0.734 nan 8.210 nan 0.000 0.453 324 E N 0.602 120.830 120.200 0.047 0.000 2.388 324 E HA 0.637 4.987 4.350 -0.000 0.000 0.281 324 E C -1.940 174.682 176.600 0.038 0.000 1.046 324 E CA -0.755 55.660 56.400 0.025 0.000 0.825 324 E CB 2.168 31.845 29.700 -0.039 0.000 1.243 324 E HN 0.054 nan 8.360 nan 0.000 0.438 325 A N 2.885 125.747 122.820 0.070 0.000 2.422 325 A HA 0.721 5.041 4.320 -0.000 0.000 0.302 325 A C -1.066 176.628 177.584 0.182 0.000 1.041 325 A CA -0.689 51.397 52.037 0.081 0.000 0.708 325 A CB 1.768 20.811 19.000 0.070 0.000 1.257 325 A HN 0.533 nan 8.150 nan 0.000 0.414 326 E N -0.255 119.993 120.200 0.079 0.000 2.393 326 E HA 0.870 5.220 4.350 -0.000 0.000 0.265 326 E C -0.429 176.226 176.600 0.093 0.000 0.941 326 E CA -0.458 56.063 56.400 0.203 0.000 0.801 326 E CB 2.402 32.118 29.700 0.027 0.000 1.313 326 E HN 1.260 nan 8.360 nan 0.000 0.435 327 A N -0.279 122.701 122.820 0.267 0.000 2.540 327 A HA 0.732 5.052 4.320 -0.000 0.000 0.291 327 A C -1.265 176.501 177.584 0.303 0.000 1.083 327 A CA -0.252 51.853 52.037 0.114 0.000 0.650 327 A CB 0.702 19.678 19.000 -0.041 0.000 1.292 327 A HN 0.922 nan 8.150 nan 0.000 0.435 328 C N -0.756 118.672 119.300 0.212 0.000 3.312 328 C HA 0.780 5.240 4.460 -0.000 0.000 0.332 328 C C -1.583 173.501 174.990 0.157 0.000 1.340 328 C CA -0.924 58.233 59.018 0.231 0.000 1.265 328 C CB 0.990 28.904 27.740 0.289 0.000 1.563 328 C HN 0.833 nan 8.230 nan 0.000 0.471 329 D N 1.030 121.514 120.400 0.139 0.000 2.255 329 D HA 0.574 5.214 4.640 -0.000 0.000 0.249 329 D C -0.386 175.973 176.300 0.098 0.000 1.078 329 D CA 0.144 54.224 54.000 0.134 0.000 0.896 329 D CB 1.945 42.827 40.800 0.137 0.000 1.194 329 D HN 0.565 nan 8.370 nan 0.000 0.429 330 V N 0.919 120.914 119.914 0.136 0.000 2.540 330 V HA 0.668 4.788 4.120 -0.000 0.000 0.302 330 V C 0.544 176.715 176.094 0.130 0.000 1.035 330 V CA -0.858 61.475 62.300 0.055 0.000 0.873 330 V CB 2.037 33.867 31.823 0.012 0.000 0.992 330 V HN 0.618 nan 8.190 nan 0.000 0.428 331 G N 3.020 111.798 108.800 -0.036 0.000 2.574 331 G HA2 0.602 4.562 3.960 -0.000 0.000 0.306 331 G HA3 0.602 4.562 3.960 -0.000 0.000 0.306 331 G C -0.963 174.025 174.900 0.147 0.000 1.334 331 G CA -0.400 44.767 45.100 0.111 0.000 0.954 331 G HN 0.428 nan 8.290 nan 0.000 0.500 332 F N 2.587 122.730 119.950 0.322 0.000 2.487 332 F HA 0.399 4.926 4.527 -0.000 0.000 0.364 332 F C 1.222 177.284 175.800 0.436 0.000 1.126 332 F CA -0.062 58.196 58.000 0.430 0.000 1.135 332 F CB 0.584 39.842 39.000 0.430 0.000 1.127 332 F HN 0.528 nan 8.300 nan 0.000 0.559 333 R N 1.523 122.334 120.500 0.518 0.000 2.604 333 R HA 0.507 4.847 4.340 -0.000 0.000 0.270 333 R C -1.581 174.880 176.300 0.268 0.000 1.052 333 R CA -1.042 55.194 56.100 0.227 0.000 0.902 333 R CB 1.762 32.237 30.300 0.292 0.000 1.233 333 R HN 0.455 nan 8.270 nan 0.000 0.455 334 E N 2.566 122.825 120.200 0.098 0.000 2.171 334 E HA 0.414 4.764 4.350 -0.000 0.000 0.271 334 E C -1.241 175.446 176.600 0.145 0.000 0.916 334 E CA -1.000 55.552 56.400 0.253 0.000 0.774 334 E CB 2.019 31.953 29.700 0.391 0.000 1.128 334 E HN 0.451 nan 8.360 nan 0.000 0.403 335 V N 5.669 125.662 119.914 0.132 0.000 2.409 335 V HA 0.566 4.686 4.120 -0.000 0.000 0.291 335 V C -0.230 175.914 176.094 0.083 0.000 1.020 335 V CA -0.656 61.691 62.300 0.077 0.000 0.848 335 V CB 1.201 33.048 31.823 0.041 0.000 0.990 335 V HN 0.744 nan 8.190 nan 0.000 0.430 336 R N 4.199 124.743 120.500 0.074 0.000 2.710 336 R HA 0.734 5.074 4.340 -0.000 0.000 0.270 336 R C -1.990 174.342 176.300 0.054 0.000 1.021 336 R CA -0.953 55.191 56.100 0.073 0.000 0.889 336 R CB 1.975 32.331 30.300 0.094 0.000 1.243 336 R HN 0.497 nan 8.270 nan 0.000 0.464 337 I N 1.395 121.996 120.570 0.052 0.000 2.330 337 I HA 0.327 4.497 4.170 -0.000 0.000 0.289 337 I C -0.639 175.503 176.117 0.042 0.000 1.001 337 I CA -0.410 60.914 61.300 0.039 0.000 1.193 337 I CB 1.751 39.776 38.000 0.041 0.000 1.345 337 I HN 0.695 nan 8.210 nan 0.000 0.461 338 E N 6.074 126.295 120.200 0.036 0.000 2.263 338 E HA 0.261 4.611 4.350 -0.000 0.000 0.268 338 E C -0.251 176.365 176.600 0.025 0.000 0.884 338 E CA -0.549 55.872 56.400 0.036 0.000 0.766 338 E CB 1.041 30.768 29.700 0.045 0.000 1.196 338 E HN 0.542 nan 8.360 nan 0.000 0.416 339 N N 3.261 121.976 118.700 0.024 0.000 2.735 339 N HA -0.228 4.512 4.740 -0.000 0.000 0.248 339 N C 0.447 175.964 175.510 0.012 0.000 1.083 339 N CA 1.964 55.025 53.050 0.017 0.000 0.703 339 N CB -1.139 37.357 38.487 0.015 0.000 1.005 339 N HN 0.962 nan 8.380 nan 0.000 0.550 340 G N -2.314 106.494 108.800 0.012 0.000 2.176 340 G HA2 -0.282 3.678 3.960 -0.000 0.000 0.253 340 G HA3 -0.282 3.678 3.960 -0.000 0.000 0.253 340 G C -0.078 174.819 174.900 -0.006 0.000 0.979 340 G CA 0.478 45.581 45.100 0.005 0.000 0.641 340 G HN 0.451 nan 8.290 nan 0.000 0.530 341 L N 0.115 121.336 121.223 -0.004 0.000 2.346 341 L HA 0.718 5.058 4.340 -0.000 0.000 0.274 341 L C 0.101 176.963 176.870 -0.013 0.000 1.007 341 L CA -1.337 53.493 54.840 -0.017 0.000 0.818 341 L CB 1.852 43.901 42.059 -0.016 0.000 1.284 341 L HN 0.101 nan 8.230 nan 0.000 0.424 342 L N 4.417 125.620 121.223 -0.033 0.000 2.278 342 L HA 0.452 4.792 4.340 -0.000 0.000 0.287 342 L C -0.862 175.988 176.870 -0.034 0.000 1.072 342 L CA 0.362 55.184 54.840 -0.031 0.000 0.819 342 L CB 0.347 42.373 42.059 -0.055 0.000 1.176 342 L HN 0.386 nan 8.230 nan 0.000 0.435 343 L N 5.821 127.041 121.223 -0.005 0.000 2.334 343 L HA 0.545 4.885 4.340 -0.000 0.000 0.276 343 L C -0.836 176.041 176.870 0.012 0.000 1.014 343 L CA -0.859 53.985 54.840 0.008 0.000 0.815 343 L CB 1.880 43.965 42.059 0.044 0.000 1.268 343 L HN 0.541 nan 8.230 nan 0.000 0.428 344 L N 3.910 125.146 121.223 0.021 0.000 2.319 344 L HA 0.495 4.835 4.340 -0.000 0.000 0.281 344 L C -0.155 176.719 176.870 0.005 0.000 1.005 344 L CA 0.061 54.915 54.840 0.023 0.000 0.828 344 L CB 0.868 42.943 42.059 0.027 0.000 1.227 344 L HN 0.579 nan 8.230 nan 0.000 0.415 345 N N 4.246 122.824 118.700 -0.203 0.000 2.727 345 N HA -0.213 4.527 4.740 -0.000 0.000 0.249 345 N C 0.944 176.092 175.510 -0.603 0.000 1.048 345 N CA 1.348 53.922 53.050 -0.794 0.000 0.714 345 N CB -1.270 36.663 38.487 -0.923 0.000 0.959 345 N HN 1.218 nan 8.380 nan 0.000 0.544 346 G N -1.999 106.760 108.800 -0.068 0.000 2.162 346 G HA2 -0.351 3.609 3.960 -0.000 0.000 0.260 346 G HA3 -0.351 3.609 3.960 -0.000 0.000 0.260 346 G C -0.074 174.860 174.900 0.056 0.000 0.976 346 G CA 0.897 46.061 45.100 0.106 0.000 0.655 346 G HN 0.405 nan 8.290 nan 0.000 0.533 347 K N 0.628 121.053 120.400 0.043 0.000 2.259 347 K HA 0.518 4.838 4.320 -0.000 0.000 0.252 347 K C -2.708 173.873 176.600 -0.032 0.000 0.936 347 K CA -2.255 54.023 56.287 -0.015 0.000 0.810 347 K CB 2.670 35.096 32.500 -0.123 0.000 1.143 347 K HN 0.073 nan 8.250 nan 0.000 0.427 348 P HA 0.180 nan 4.420 nan 0.000 0.276 348 P C -0.170 177.072 177.300 -0.096 0.000 1.253 348 P CA -0.210 62.849 63.100 -0.068 0.000 0.766 348 P CB 0.596 32.259 31.700 -0.062 0.000 0.845 349 L N 3.683 124.844 121.223 -0.104 0.000 2.453 349 L HA 0.291 4.631 4.340 -0.000 0.000 0.261 349 L C 0.677 177.467 176.870 -0.133 0.000 1.179 349 L CA -0.625 54.141 54.840 -0.123 0.000 0.813 349 L CB 0.407 42.351 42.059 -0.191 0.000 1.110 349 L HN 0.292 nan 8.230 nan 0.000 0.466 350 L N 3.822 124.982 121.223 -0.104 0.000 2.427 350 L HA 0.409 4.749 4.340 -0.000 0.000 0.264 350 L C -0.549 176.271 176.870 -0.084 0.000 0.989 350 L CA -0.268 54.494 54.840 -0.131 0.000 0.865 350 L CB 0.902 42.917 42.059 -0.074 0.000 1.209 350 L HN 0.238 nan 8.230 nan 0.000 0.430 351 I N 4.857 125.307 120.570 -0.201 0.000 2.421 351 I HA 0.167 4.337 4.170 -0.000 0.000 0.291 351 I C 0.632 176.704 176.117 -0.075 0.000 1.089 351 I CA 0.322 61.510 61.300 -0.186 0.000 1.354 351 I CB 0.175 37.927 38.000 -0.413 0.000 1.413 351 I HN 0.557 nan 8.210 nan 0.000 0.513 352 R N 4.751 125.304 120.500 0.088 0.000 3.436 352 R HA 0.431 4.771 4.340 -0.000 0.000 0.247 352 R C 0.582 177.012 176.300 0.217 0.000 1.434 352 R CA -0.268 55.940 56.100 0.180 0.000 1.543 352 R CB 0.804 31.032 30.300 -0.120 0.000 1.289 352 R HN 0.767 nan 8.270 nan 0.000 0.664 353 G N -0.056 108.826 108.800 0.137 0.000 2.601 353 G HA2 0.614 4.574 3.960 -0.000 0.000 0.317 353 G HA3 0.614 4.574 3.960 -0.000 0.000 0.317 353 G C -1.259 173.984 174.900 0.572 0.000 1.246 353 G CA -0.463 44.770 45.100 0.221 0.000 1.012 353 G HN 0.199 nan 8.290 nan 0.000 0.494 354 V N -0.441 119.806 119.914 0.554 0.000 3.048 354 V HA 0.456 4.576 4.120 -0.000 0.000 0.303 354 V C -1.365 174.871 176.094 0.237 0.000 1.214 354 V CA -1.197 61.305 62.300 0.337 0.000 0.984 354 V CB 2.221 33.990 31.823 -0.089 0.000 1.054 354 V HN 0.758 nan 8.190 nan 0.000 0.430 355 N N 4.248 123.000 118.700 0.087 0.000 2.472 355 N HA 0.420 5.160 4.740 -0.000 0.000 0.277 355 N C -0.738 174.575 175.510 -0.328 0.000 1.081 355 N CA -0.304 52.652 53.050 -0.157 0.000 0.973 355 N CB 1.510 39.886 38.487 -0.186 0.000 1.105 355 N HN 0.631 nan 8.380 nan 0.000 0.470 356 R N 2.366 122.647 120.500 -0.364 0.000 2.451 356 R HA 0.223 4.563 4.340 -0.000 0.000 0.307 356 R C -0.855 175.207 176.300 -0.397 0.000 0.965 356 R CA -0.561 55.342 56.100 -0.330 0.000 0.865 356 R CB 0.736 30.819 30.300 -0.360 0.000 1.174 356 R HN 0.563 nan 8.270 nan 0.000 0.455 357 H N 2.141 121.058 119.070 -0.254 0.000 2.508 357 H HA 0.153 4.709 4.556 -0.000 0.000 0.358 357 H C -0.459 174.855 175.328 -0.023 0.000 1.212 357 H CA 0.005 55.984 56.048 -0.114 0.000 1.356 357 H CB 1.441 31.191 29.762 -0.021 0.000 1.525 357 H HN 0.585 nan 8.280 nan 0.000 0.578 358 E N 1.957 122.349 120.200 0.319 0.000 1.963 358 E HA 0.104 4.454 4.350 -0.000 0.000 0.274 358 E C -0.706 176.039 176.600 0.242 0.000 1.061 358 E CA -0.084 56.427 56.400 0.185 0.000 0.847 358 E CB 0.348 30.179 29.700 0.218 0.000 1.083 358 E HN 0.365 nan 8.360 nan 0.000 0.402 359 H N 1.603 120.726 119.070 0.090 0.000 2.771 359 H HA 0.270 4.826 4.556 -0.000 0.000 0.361 359 H C -1.608 173.771 175.328 0.086 0.000 1.108 359 H CA -0.626 55.471 56.048 0.081 0.000 1.201 359 H CB 1.121 30.920 29.762 0.061 0.000 1.681 359 H HN 0.381 nan 8.280 nan 0.000 0.534 360 H N 6.311 124.965 119.070 -0.693 0.000 2.782 360 H HA 0.202 4.758 4.556 -0.000 0.000 0.347 360 H C -2.272 172.643 175.328 -0.688 0.000 1.038 360 H CA -2.318 53.449 56.048 -0.469 0.000 1.255 360 H CB 2.760 32.418 29.762 -0.172 0.000 1.623 360 H HN 0.546 nan 8.280 nan 0.000 0.525 361 P HA -0.141 nan 4.420 nan 0.000 0.219 361 P C 1.130 178.328 177.300 -0.170 0.000 1.146 361 P CA 0.677 63.622 63.100 -0.259 0.000 0.808 361 P CB 0.926 32.511 31.700 -0.192 0.000 0.779 362 L N -1.326 119.895 121.223 -0.002 0.000 2.349 362 L HA 0.141 4.481 4.340 -0.000 0.000 0.200 362 L C 2.267 178.967 176.870 -0.283 0.000 1.064 362 L CA 1.286 56.018 54.840 -0.180 0.000 0.821 362 L CB -0.878 40.988 42.059 -0.322 0.000 1.027 362 L HN -0.054 nan 8.230 nan 0.000 0.476 363 H N -0.614 118.415 119.070 -0.068 0.000 2.526 363 H HA 0.412 4.968 4.556 -0.000 0.000 0.274 363 H C 1.435 176.659 175.328 -0.173 0.000 0.999 363 H CA 0.480 56.409 56.048 -0.199 0.000 1.157 363 H CB -0.084 29.450 29.762 -0.381 0.000 1.407 363 H HN 0.366 nan 8.280 nan 0.000 0.568 364 G N 1.727 110.449 108.800 -0.131 0.000 2.601 364 G HA2 -0.364 3.596 3.960 -0.000 0.000 0.306 364 G HA3 -0.364 3.596 3.960 -0.000 0.000 0.306 364 G C 0.687 175.509 174.900 -0.131 0.000 1.172 364 G CA 0.442 45.419 45.100 -0.205 0.000 0.966 364 G HN 0.472 nan 8.290 nan 0.000 0.542 365 Q N -0.003 119.744 119.800 -0.088 0.000 2.175 365 Q HA 0.503 4.843 4.340 -0.000 0.000 0.225 365 Q C -0.094 175.984 176.000 0.130 0.000 0.837 365 Q CA -0.201 55.595 55.803 -0.013 0.000 1.032 365 Q CB 1.685 30.324 28.738 -0.164 0.000 1.137 365 Q HN 0.344 nan 8.270 nan 0.000 0.483 366 V N 2.021 121.992 119.914 0.094 0.000 2.432 366 V HA 0.244 4.364 4.120 -0.000 0.000 0.275 366 V C 0.143 176.274 176.094 0.062 0.000 1.043 366 V CA -0.091 62.274 62.300 0.109 0.000 0.925 366 V CB 1.142 32.968 31.823 0.005 0.000 0.985 366 V HN 0.353 nan 8.190 nan 0.000 0.466 367 M N 5.380 125.024 119.600 0.073 0.000 2.423 367 M HA 0.494 4.974 4.480 -0.000 0.000 0.335 367 M C -0.351 175.893 176.300 -0.093 0.000 1.177 367 M CA -0.417 54.882 55.300 -0.002 0.000 1.038 367 M CB 1.702 34.286 32.600 -0.027 0.000 1.641 367 M HN 0.838 nan 8.290 nan 0.000 0.455 368 D N 0.337 120.686 120.400 -0.084 0.000 2.523 368 D HA 0.235 4.875 4.640 -0.000 0.000 0.236 368 D C 0.092 176.357 176.300 -0.059 0.000 1.094 368 D CA -0.470 53.478 54.000 -0.086 0.000 0.942 368 D CB 1.864 42.631 40.800 -0.055 0.000 1.447 368 D HN 0.689 nan 8.370 nan 0.000 0.479 369 E N -0.003 120.176 120.200 -0.034 0.000 2.051 369 E HA -0.257 4.093 4.350 -0.000 0.000 0.192 369 E C 2.011 178.645 176.600 0.056 0.000 0.991 369 E CA 1.672 58.081 56.400 0.016 0.000 0.799 369 E CB 0.089 29.814 29.700 0.042 0.000 0.748 369 E HN 0.591 nan 8.360 nan 0.000 0.449 370 Q N -0.551 119.286 119.800 0.061 0.000 2.167 370 Q HA -0.107 4.233 4.340 -0.000 0.000 0.202 370 Q C 1.917 177.973 176.000 0.092 0.000 0.970 370 Q CA 1.770 57.620 55.803 0.078 0.000 0.855 370 Q CB -0.251 28.535 28.738 0.079 0.000 0.911 370 Q HN 0.082 nan 8.270 nan 0.000 0.438 371 T N 1.187 115.805 114.554 0.107 0.000 2.812 371 T HA -0.015 4.335 4.350 -0.000 0.000 0.264 371 T C 1.801 176.572 174.700 0.119 0.000 1.042 371 T CA 1.434 63.613 62.100 0.131 0.000 1.140 371 T CB -0.124 68.856 68.868 0.187 0.000 0.870 371 T HN 0.268 nan 8.240 nan 0.000 0.445 372 M N 0.612 120.283 119.600 0.119 0.000 2.117 372 M HA -0.081 4.399 4.480 -0.000 0.000 0.262 372 M C 2.443 178.850 176.300 0.178 0.000 1.065 372 M CA 1.281 56.716 55.300 0.225 0.000 1.114 372 M CB -0.553 32.222 32.600 0.292 0.000 1.361 372 M HN 0.099 nan 8.290 nan 0.000 0.408 373 V N 0.269 120.223 119.914 0.068 0.000 2.343 373 V HA -0.294 3.826 4.120 -0.000 0.000 0.247 373 V C 2.317 178.379 176.094 -0.053 0.000 1.051 373 V CA 2.091 64.357 62.300 -0.058 0.000 1.036 373 V CB -0.946 30.882 31.823 0.008 0.000 0.654 373 V HN 0.561 nan 8.190 nan 0.000 0.451 374 Q N -0.111 119.714 119.800 0.041 0.000 2.061 374 Q HA -0.285 4.055 4.340 -0.000 0.000 0.204 374 Q C 1.975 178.035 176.000 0.099 0.000 0.984 374 Q CA 2.266 58.114 55.803 0.075 0.000 0.846 374 Q CB -0.179 28.622 28.738 0.104 0.000 0.902 374 Q HN 0.610 nan 8.270 nan 0.000 0.421 375 D N 0.328 120.798 120.400 0.116 0.000 2.097 375 D HA -0.141 4.499 4.640 -0.000 0.000 0.195 375 D C 1.941 178.166 176.300 -0.126 0.000 0.989 375 D CA 1.213 55.268 54.000 0.092 0.000 0.827 375 D CB -0.180 40.647 40.800 0.045 0.000 0.966 375 D HN 0.378 nan 8.370 nan 0.000 0.456 376 I N 0.622 121.117 120.570 -0.126 0.000 2.226 376 I HA -0.224 3.946 4.170 -0.000 0.000 0.245 376 I C 2.394 178.367 176.117 -0.240 0.000 1.100 376 I CA 0.607 61.734 61.300 -0.288 0.000 1.374 376 I CB -0.159 37.541 38.000 -0.500 0.000 1.057 376 I HN -0.002 nan 8.210 nan 0.000 0.413 377 L N 0.168 121.298 121.223 -0.156 0.000 2.046 377 L HA -0.224 4.116 4.340 -0.000 0.000 0.208 377 L C 2.549 179.486 176.870 0.112 0.000 1.077 377 L CA 1.386 56.234 54.840 0.015 0.000 0.747 377 L CB -0.596 41.495 42.059 0.054 0.000 0.896 377 L HN 0.285 nan 8.230 nan 0.000 0.432 378 L N -1.005 120.296 121.223 0.129 0.000 2.093 378 L HA -0.206 4.134 4.340 -0.000 0.000 0.208 378 L C 2.665 179.685 176.870 0.251 0.000 1.085 378 L CA 1.196 56.195 54.840 0.265 0.000 0.755 378 L CB -0.262 42.060 42.059 0.439 0.000 0.904 378 L HN 0.294 nan 8.230 nan 0.000 0.435 379 M N -0.595 118.971 119.600 -0.056 0.000 2.077 379 M HA -0.219 4.261 4.480 -0.000 0.000 0.261 379 M C 2.257 178.626 176.300 0.116 0.000 1.070 379 M CA 1.846 57.055 55.300 -0.152 0.000 1.125 379 M CB -0.298 31.979 32.600 -0.537 0.000 1.339 379 M HN 0.049 nan 8.290 nan 0.000 0.409 380 K N -0.055 120.296 120.400 -0.083 0.000 2.148 380 K HA -0.162 4.158 4.320 -0.000 0.000 0.204 380 K C 1.942 178.442 176.600 -0.167 0.000 1.050 380 K CA 1.148 57.246 56.287 -0.316 0.000 0.942 380 K CB -0.169 31.863 32.500 -0.781 0.000 0.724 380 K HN 0.423 nan 8.250 nan 0.000 0.446 381 Q N 0.318 120.230 119.800 0.185 0.000 2.364 381 Q HA -0.020 4.320 4.340 -0.000 0.000 0.207 381 Q C 0.599 176.897 176.000 0.497 0.000 0.970 381 Q CA 0.705 56.773 55.803 0.441 0.000 0.888 381 Q CB 0.248 29.222 28.738 0.395 0.000 0.951 381 Q HN 0.231 nan 8.270 nan 0.000 0.469 382 N N 0.643 119.581 118.700 0.397 0.000 2.389 382 N HA 0.068 4.808 4.740 -0.000 0.000 0.260 382 N C -0.801 174.811 175.510 0.169 0.000 1.191 382 N CA 0.016 53.291 53.050 0.376 0.000 0.885 382 N CB 0.751 39.547 38.487 0.514 0.000 1.162 382 N HN 0.131 nan 8.380 nan 0.000 0.512 383 N N 0.309 119.116 118.700 0.178 0.000 2.725 383 N HA -0.202 4.538 4.740 -0.000 0.000 0.249 383 N C -0.914 174.536 175.510 -0.099 0.000 1.103 383 N CA 0.898 54.016 53.050 0.113 0.000 0.707 383 N CB -1.728 36.744 38.487 -0.026 0.000 1.043 383 N HN 0.286 nan 8.380 nan 0.000 0.553 384 F N 0.849 120.819 119.950 0.034 0.000 2.399 384 F HA 0.325 4.852 4.527 -0.000 0.000 0.334 384 F C 1.705 177.503 175.800 -0.005 0.000 1.097 384 F CA -0.696 57.311 58.000 0.011 0.000 1.076 384 F CB 0.988 39.975 39.000 -0.020 0.000 1.162 384 F HN 0.041 nan 8.300 nan 0.000 0.495 385 N N 0.727 119.550 118.700 0.204 0.000 2.143 385 N HA 0.414 5.153 4.740 -0.000 0.000 0.222 385 N C -0.863 174.698 175.510 0.084 0.000 1.264 385 N CA -0.023 53.076 53.050 0.082 0.000 0.897 385 N CB 0.730 39.318 38.487 0.170 0.000 1.092 385 N HN 0.457 nan 8.380 nan 0.000 0.516 386 A N -0.429 122.517 122.820 0.210 0.000 2.572 386 A HA 0.775 5.095 4.320 -0.000 0.000 0.295 386 A C -1.701 176.118 177.584 0.391 0.000 1.072 386 A CA -0.730 51.498 52.037 0.318 0.000 0.691 386 A CB 1.970 21.186 19.000 0.361 0.000 1.291 386 A HN 0.205 nan 8.150 nan 0.000 0.404 387 V N 1.220 121.400 119.914 0.442 0.000 2.888 387 V HA 0.772 4.892 4.120 -0.000 0.000 0.309 387 V C -0.706 175.484 176.094 0.159 0.000 1.114 387 V CA -0.716 61.777 62.300 0.322 0.000 0.940 387 V CB 1.899 33.846 31.823 0.206 0.000 1.021 387 V HN 1.065 nan 8.190 nan 0.000 0.426 388 R N 5.049 125.470 120.500 -0.131 0.000 2.343 388 R HA 0.465 4.805 4.340 -0.000 0.000 0.320 388 R C -0.775 175.356 176.300 -0.282 0.000 0.956 388 R CA -0.500 55.342 56.100 -0.430 0.000 0.836 388 R CB 1.038 30.823 30.300 -0.858 0.000 1.151 388 R HN 0.815 nan 8.270 nan 0.000 0.450 389 C N 4.383 123.557 119.300 -0.210 0.000 2.896 389 C HA 0.099 4.559 4.460 -0.000 0.000 0.499 389 C C 0.672 175.394 174.990 -0.446 0.000 1.022 389 C CA -0.417 58.436 59.018 -0.275 0.000 1.127 389 C CB -2.073 25.612 27.740 -0.090 0.000 1.452 389 C HN 0.692 nan 8.230 nan 0.000 0.580 390 S N 0.742 116.056 115.700 -0.644 0.000 2.455 390 S HA 0.255 4.725 4.470 -0.000 0.000 0.278 390 S C -0.478 173.247 174.600 -1.458 0.000 1.216 390 S CA -0.113 57.487 58.200 -1.001 0.000 1.055 390 S CB -0.094 62.461 63.200 -1.075 0.000 0.939 390 S HN 0.801 nan 8.310 nan 0.000 0.494 391 H N 2.879 121.354 119.070 -0.992 0.000 2.439 391 H HA 0.431 4.987 4.556 -0.000 0.000 0.228 391 H C -1.266 173.956 175.328 -0.178 0.000 1.423 391 H CA -0.593 55.255 56.048 -0.334 0.000 1.386 391 H CB 0.160 29.930 29.762 0.013 0.000 1.641 391 H HN 0.822 nan 8.280 nan 0.000 0.508 392 Y N -3.172 117.238 120.300 0.183 0.000 2.765 392 Y HA 0.399 4.949 4.550 -0.000 0.000 0.350 392 Y C -3.484 172.528 175.900 0.188 0.000 1.196 392 Y CA -3.539 54.678 58.100 0.194 0.000 1.119 392 Y CB 0.001 38.583 38.460 0.204 0.000 1.368 392 Y HN -0.044 nan 8.280 nan 0.000 0.463 393 P HA 0.171 nan 4.420 nan 0.000 0.268 393 P C -0.692 176.898 177.300 0.484 0.000 1.205 393 P CA 0.314 63.670 63.100 0.427 0.000 0.771 393 P CB 0.598 32.480 31.700 0.304 0.000 0.858 394 N N 0.662 119.662 118.700 0.499 0.000 2.447 394 N HA 0.109 4.849 4.740 -0.000 0.000 0.271 394 N C -0.096 175.668 175.510 0.424 0.000 1.226 394 N CA -0.387 52.877 53.050 0.357 0.000 0.980 394 N CB 0.039 38.541 38.487 0.024 0.000 1.206 394 N HN 0.476 nan 8.380 nan 0.000 0.558 395 H N 2.340 121.532 119.070 0.203 0.000 3.034 395 H HA -0.009 4.547 4.556 -0.000 0.000 0.324 395 H C -1.520 173.995 175.328 0.312 0.000 1.015 395 H CA -0.790 55.360 56.048 0.170 0.000 1.429 395 H CB 0.816 30.641 29.762 0.105 0.000 1.429 395 H HN 0.425 nan 8.280 nan 0.000 0.585 396 P HA -0.225 nan 4.420 nan 0.000 0.217 396 P C 1.765 179.367 177.300 0.503 0.000 1.148 396 P CA 0.798 64.113 63.100 0.358 0.000 0.834 396 P CB 0.258 32.008 31.700 0.083 0.000 0.783 397 L N -1.013 120.599 121.223 0.649 0.000 2.201 397 L HA -0.039 4.301 4.340 -0.000 0.000 0.212 397 L C 2.454 179.511 176.870 0.311 0.000 1.105 397 L CA 1.333 56.423 54.840 0.416 0.000 0.775 397 L CB -1.447 40.798 42.059 0.310 0.000 0.913 397 L HN 0.022 nan 8.230 nan 0.000 0.440 398 W N -0.519 120.852 121.300 0.117 0.000 2.338 398 W HA -0.321 4.339 4.660 -0.000 0.000 0.304 398 W C 1.992 178.385 176.519 -0.210 0.000 1.212 398 W CA 1.790 59.065 57.345 -0.116 0.000 1.264 398 W CB -0.313 28.989 29.460 -0.262 0.000 1.142 398 W HN 0.270 nan 8.180 nan 0.000 0.512 399 Y N 0.628 120.848 120.300 -0.134 0.000 2.293 399 Y HA -0.170 4.380 4.550 -0.000 0.000 0.291 399 Y C 2.827 178.473 175.900 -0.423 0.000 1.137 399 Y CA 1.961 59.778 58.100 -0.473 0.000 1.202 399 Y CB -1.277 36.633 38.460 -0.917 0.000 0.990 399 Y HN -0.226 nan 8.280 nan 0.000 0.537 400 T N 0.567 115.097 114.554 -0.040 0.000 2.746 400 T HA -0.133 4.217 4.350 -0.000 0.000 0.267 400 T C 1.986 176.713 174.700 0.045 0.000 1.039 400 T CA 1.311 63.465 62.100 0.090 0.000 1.142 400 T CB -0.485 68.494 68.868 0.185 0.000 0.866 400 T HN 0.241 nan 8.240 nan 0.000 0.444 401 L N 0.261 121.472 121.223 -0.020 0.000 2.093 401 L HA -0.067 4.273 4.340 -0.000 0.000 0.208 401 L C 2.807 179.650 176.870 -0.046 0.000 1.085 401 L CA 0.777 55.636 54.840 0.032 0.000 0.755 401 L CB -0.655 41.370 42.059 -0.057 0.000 0.904 401 L HN 0.369 nan 8.230 nan 0.000 0.435 402 C N -0.199 118.906 119.300 -0.326 0.000 2.435 402 C HA -0.125 4.335 4.460 -0.000 0.000 0.279 402 C C 2.399 177.420 174.990 0.053 0.000 1.321 402 C CA 0.377 59.230 59.018 -0.274 0.000 1.752 402 C CB -0.728 26.726 27.740 -0.476 0.000 1.959 402 C HN 0.535 nan 8.230 nan 0.000 0.500 403 D N 0.559 120.995 120.400 0.060 0.000 2.097 403 D HA -0.087 4.553 4.640 -0.000 0.000 0.197 403 D C 2.394 178.895 176.300 0.336 0.000 0.984 403 D CA 1.186 55.294 54.000 0.179 0.000 0.826 403 D CB -0.324 40.535 40.800 0.100 0.000 0.973 403 D HN 0.524 nan 8.370 nan 0.000 0.460 404 R N -0.921 119.682 120.500 0.172 0.000 2.100 404 R HA 0.008 4.348 4.340 -0.000 0.000 0.220 404 R C 2.143 178.423 176.300 -0.032 0.000 1.091 404 R CA 0.572 56.714 56.100 0.068 0.000 0.986 404 R CB -0.181 30.094 30.300 -0.042 0.000 0.888 404 R HN 0.268 nan 8.270 nan 0.000 0.444 405 Y N 0.016 120.328 120.300 0.020 0.000 2.420 405 Y HA 0.167 4.717 4.550 -0.000 0.000 0.292 405 Y C 1.015 176.853 175.900 -0.103 0.000 1.119 405 Y CA 0.868 58.955 58.100 -0.022 0.000 1.229 405 Y CB 0.586 39.003 38.460 -0.072 0.000 1.026 405 Y HN 0.236 nan 8.280 nan 0.000 0.554 406 G N 1.075 109.908 108.800 0.055 0.000 2.780 406 G HA2 -0.118 3.842 3.960 -0.000 0.000 0.364 406 G HA3 -0.118 3.842 3.960 -0.000 0.000 0.364 406 G C -1.223 173.518 174.900 -0.264 0.000 1.045 406 G CA -0.577 44.422 45.100 -0.167 0.000 1.202 406 G HN 0.161 nan 8.290 nan 0.000 0.534 407 L N 1.147 122.283 121.223 -0.145 0.000 2.526 407 L HA 0.435 4.775 4.340 -0.000 0.000 0.263 407 L C -0.153 176.707 176.870 -0.016 0.000 0.943 407 L CA -1.216 53.499 54.840 -0.208 0.000 0.859 407 L CB 1.964 43.919 42.059 -0.174 0.000 1.313 407 L HN 0.479 nan 8.230 nan 0.000 0.406 408 Y N 2.053 122.479 120.300 0.209 0.000 2.377 408 Y HA 0.386 4.936 4.550 -0.000 0.000 0.330 408 Y C 0.258 176.278 175.900 0.200 0.000 1.108 408 Y CA -0.656 57.597 58.100 0.255 0.000 1.308 408 Y CB 1.198 39.791 38.460 0.221 0.000 1.216 408 Y HN 0.161 nan 8.280 nan 0.000 0.518 409 V N 4.249 124.337 119.914 0.289 0.000 2.680 409 V HA 0.356 4.476 4.120 -0.000 0.000 0.309 409 V C -0.589 175.573 176.094 0.113 0.000 1.052 409 V CA -1.018 61.385 62.300 0.172 0.000 0.908 409 V CB 1.985 33.860 31.823 0.086 0.000 1.001 409 V HN 0.451 nan 8.190 nan 0.000 0.431 410 V N 2.959 122.908 119.914 0.058 0.000 2.311 410 V HA 0.326 4.446 4.120 -0.000 0.000 0.275 410 V C -0.329 175.792 176.094 0.046 0.000 1.022 410 V CA -0.443 61.854 62.300 -0.004 0.000 0.830 410 V CB 1.376 33.107 31.823 -0.153 0.000 1.012 410 V HN 0.858 nan 8.190 nan 0.000 0.452 411 D N 4.177 124.644 120.400 0.112 0.000 2.317 411 D HA 0.231 4.871 4.640 -0.000 0.000 0.252 411 D C -0.110 176.383 176.300 0.322 0.000 1.174 411 D CA 0.126 54.298 54.000 0.287 0.000 0.866 411 D CB 1.174 42.207 40.800 0.389 0.000 1.127 411 D HN 0.679 nan 8.370 nan 0.000 0.467 412 E N 1.799 122.151 120.200 0.254 0.000 2.187 412 E HA 0.585 4.935 4.350 -0.000 0.000 0.268 412 E C -0.925 175.822 176.600 0.244 0.000 0.896 412 E CA -1.042 55.497 56.400 0.232 0.000 0.766 412 E CB 1.304 31.093 29.700 0.148 0.000 1.142 412 E HN 0.460 nan 8.360 nan 0.000 0.408 413 A N 3.919 126.877 122.820 0.230 0.000 2.483 413 A HA 0.014 4.334 4.320 -0.000 0.000 0.238 413 A C 0.338 178.054 177.584 0.221 0.000 1.070 413 A CA -0.152 52.000 52.037 0.191 0.000 0.770 413 A CB 0.095 19.172 19.000 0.129 0.000 1.008 413 A HN 0.709 nan 8.150 nan 0.000 0.497 414 N N 1.372 120.209 118.700 0.228 0.000 2.971 414 N HA 0.262 5.002 4.740 -0.000 0.000 0.294 414 N C -0.998 174.646 175.510 0.222 0.000 1.210 414 N CA 0.223 53.441 53.050 0.280 0.000 1.157 414 N CB -0.801 37.850 38.487 0.274 0.000 1.450 414 N HN 0.469 nan 8.380 nan 0.000 0.527 415 I N 1.099 121.796 120.570 0.212 0.000 2.531 415 I HA 0.255 4.425 4.170 -0.000 0.000 0.283 415 I C -0.690 175.530 176.117 0.172 0.000 1.083 415 I CA -0.628 60.778 61.300 0.176 0.000 1.071 415 I CB 1.697 39.776 38.000 0.133 0.000 1.210 415 I HN 0.276 nan 8.210 nan 0.000 0.450 416 E N 4.339 124.634 120.200 0.158 0.000 2.294 416 E HA 0.362 4.712 4.350 -0.000 0.000 0.272 416 E C -0.556 176.103 176.600 0.098 0.000 0.896 416 E CA -0.500 55.962 56.400 0.104 0.000 0.802 416 E CB 1.615 31.355 29.700 0.067 0.000 1.267 416 E HN 0.583 nan 8.360 nan 0.000 0.406 417 T N 0.699 115.307 114.554 0.089 0.000 3.355 417 T HA 0.159 4.509 4.350 -0.000 0.000 0.276 417 T C 0.926 175.675 174.700 0.082 0.000 1.003 417 T CA -0.301 61.877 62.100 0.129 0.000 0.943 417 T CB -0.305 68.628 68.868 0.109 0.000 1.158 417 T HN 0.677 nan 8.240 nan 0.000 0.513 418 H N 1.256 120.242 119.070 -0.140 0.000 2.357 418 H HA -0.105 4.451 4.556 -0.000 0.000 0.296 418 H C 2.327 177.542 175.328 -0.190 0.000 1.108 418 H CA 1.334 57.275 56.048 -0.178 0.000 1.273 418 H CB -0.239 29.380 29.762 -0.238 0.000 1.367 418 H HN 0.586 nan 8.280 nan 0.000 0.498 419 G N 0.317 108.977 108.800 -0.234 0.000 2.625 419 G HA2 -0.083 3.877 3.960 -0.000 0.000 0.214 419 G HA3 -0.083 3.877 3.960 -0.000 0.000 0.214 419 G C 0.536 175.553 174.900 0.196 0.000 1.132 419 G CA -0.061 44.950 45.100 -0.148 0.000 0.782 419 G HN 0.161 nan 8.290 nan 0.000 0.538 420 M N 0.334 120.083 119.600 0.247 0.000 2.226 420 M HA 0.316 4.796 4.480 -0.000 0.000 0.324 420 M C -0.424 175.910 176.300 0.056 0.000 1.112 420 M CA -0.232 55.159 55.300 0.151 0.000 1.176 420 M CB 1.431 34.081 32.600 0.084 0.000 1.430 420 M HN -0.203 nan 8.290 nan 0.000 0.462 421 V N 4.093 124.018 119.914 0.019 0.000 2.419 421 V HA 0.339 4.459 4.120 -0.000 0.000 0.287 421 V C -1.895 174.192 176.094 -0.012 0.000 1.017 421 V CA -1.262 61.037 62.300 -0.002 0.000 0.844 421 V CB 1.580 33.396 31.823 -0.012 0.000 1.011 421 V HN 0.743 nan 8.190 nan 0.000 0.429 422 P HA 0.233 nan 4.420 nan 0.000 0.275 422 P C 0.990 178.297 177.300 0.011 0.000 1.266 422 P CA -0.557 62.542 63.100 -0.001 0.000 0.793 422 P CB 1.151 32.852 31.700 0.001 0.000 1.074 423 M N 0.671 120.285 119.600 0.024 0.000 2.435 423 M HA -0.167 4.313 4.480 -0.000 0.000 0.262 423 M C 1.152 177.482 176.300 0.051 0.000 1.065 423 M CA 1.669 56.996 55.300 0.045 0.000 1.076 423 M CB -0.441 32.184 32.600 0.040 0.000 1.403 423 M HN 0.371 nan 8.290 nan 0.000 0.454 424 N N -0.271 118.454 118.700 0.042 0.000 2.251 424 N HA -0.046 4.694 4.740 -0.000 0.000 0.217 424 N C 1.127 176.622 175.510 -0.024 0.000 1.124 424 N CA 0.019 53.094 53.050 0.041 0.000 0.843 424 N CB -0.608 37.922 38.487 0.072 0.000 1.024 424 N HN 0.348 nan 8.380 nan 0.000 0.501 425 R N 0.445 120.917 120.500 -0.047 0.000 2.103 425 R HA -0.006 4.334 4.340 -0.000 0.000 0.242 425 R C 1.424 177.632 176.300 -0.153 0.000 1.142 425 R CA 1.364 57.414 56.100 -0.084 0.000 0.960 425 R CB -0.020 30.227 30.300 -0.089 0.000 0.858 425 R HN 0.273 nan 8.270 nan 0.000 0.439 426 L N -0.673 120.400 121.223 -0.249 0.000 2.145 426 L HA -0.018 4.322 4.340 -0.000 0.000 0.201 426 L C 2.516 179.250 176.870 -0.227 0.000 1.075 426 L CA 1.347 55.922 54.840 -0.442 0.000 0.773 426 L CB -0.624 40.950 42.059 -0.808 0.000 0.936 426 L HN 0.349 nan 8.230 nan 0.000 0.451 427 T N -4.026 110.423 114.554 -0.175 0.000 3.025 427 T HA -0.192 4.158 4.350 -0.000 0.000 0.270 427 T C 1.199 175.799 174.700 -0.168 0.000 1.126 427 T CA 1.434 63.410 62.100 -0.208 0.000 1.105 427 T CB -0.277 68.420 68.868 -0.284 0.000 0.884 427 T HN 0.185 nan 8.240 nan 0.000 0.522 428 D N 0.714 121.056 120.400 -0.097 0.000 2.369 428 D HA 0.088 4.728 4.640 -0.000 0.000 0.211 428 D C -0.219 176.060 176.300 -0.036 0.000 1.077 428 D CA -0.279 53.678 54.000 -0.073 0.000 0.842 428 D CB 0.004 40.770 40.800 -0.057 0.000 0.947 428 D HN 0.259 nan 8.370 nan 0.000 0.509 429 D N 0.240 120.634 120.400 -0.009 0.000 2.317 429 D HA 0.096 4.736 4.640 -0.000 0.000 0.234 429 D C -1.510 174.839 176.300 0.082 0.000 1.112 429 D CA -2.131 51.904 54.000 0.057 0.000 0.840 429 D CB 1.977 42.857 40.800 0.134 0.000 1.078 429 D HN 0.033 nan 8.370 nan 0.000 0.486 430 P HA -0.174 nan 4.420 nan 0.000 0.219 430 P C 1.350 178.657 177.300 0.011 0.000 1.146 430 P CA 0.595 63.704 63.100 0.016 0.000 0.808 430 P CB 0.383 32.082 31.700 -0.001 0.000 0.779 431 R N -0.704 119.810 120.500 0.023 0.000 2.152 431 R HA -0.127 4.213 4.340 -0.000 0.000 0.232 431 R C 1.373 177.566 176.300 -0.179 0.000 1.117 431 R CA 1.360 57.413 56.100 -0.080 0.000 0.981 431 R CB -0.516 29.734 30.300 -0.082 0.000 0.870 431 R HN 0.197 nan 8.270 nan 0.000 0.451 432 W N -0.116 121.131 121.300 -0.088 0.000 3.278 432 W HA 0.124 4.784 4.660 -0.000 0.000 0.308 432 W C 1.377 177.840 176.519 -0.093 0.000 1.253 432 W CA -0.595 56.698 57.345 -0.087 0.000 1.759 432 W CB 0.119 29.527 29.460 -0.087 0.000 1.093 432 W HN 0.104 nan 8.180 nan 0.000 0.648 433 L N 2.052 123.308 121.223 0.056 0.000 2.046 433 L HA -0.038 4.302 4.340 -0.000 0.000 0.208 433 L C -0.690 176.150 176.870 -0.050 0.000 1.077 433 L CA 2.198 57.031 54.840 -0.011 0.000 0.747 433 L CB -1.627 40.412 42.059 -0.032 0.000 0.896 433 L HN -0.220 nan 8.230 nan 0.000 0.432 434 P HA -0.156 nan 4.420 nan 0.000 0.214 434 P C 1.636 178.885 177.300 -0.085 0.000 1.163 434 P CA 2.166 65.207 63.100 -0.098 0.000 0.883 434 P CB -0.207 31.424 31.700 -0.115 0.000 0.788 435 A N -1.140 121.643 122.820 -0.062 0.000 1.908 435 A HA -0.220 4.100 4.320 -0.000 0.000 0.218 435 A C 2.237 179.836 177.584 0.025 0.000 1.181 435 A CA 2.018 54.051 52.037 -0.006 0.000 0.627 435 A CB -1.506 17.522 19.000 0.047 0.000 0.818 435 A HN 0.114 nan 8.150 nan 0.000 0.445 436 M N 0.217 119.839 119.600 0.037 0.000 2.132 436 M HA -0.147 4.333 4.480 -0.000 0.000 0.263 436 M C 2.548 178.797 176.300 -0.086 0.000 1.065 436 M CA 1.752 57.052 55.300 -0.000 0.000 1.122 436 M CB -0.353 32.235 32.600 -0.021 0.000 1.365 436 M HN 0.665 nan 8.290 nan 0.000 0.411 437 S N 0.214 115.832 115.700 -0.137 0.000 2.383 437 S HA -0.172 4.298 4.470 -0.000 0.000 0.229 437 S C 1.603 176.024 174.600 -0.298 0.000 1.030 437 S CA 1.362 59.408 58.200 -0.257 0.000 1.002 437 S CB -0.656 62.373 63.200 -0.286 0.000 0.829 437 S HN 0.515 nan 8.310 nan 0.000 0.467 438 E N 1.264 121.343 120.200 -0.201 0.000 2.106 438 E HA -0.081 4.269 4.350 -0.000 0.000 0.192 438 E C 2.411 178.921 176.600 -0.151 0.000 0.984 438 E CA 0.905 57.195 56.400 -0.184 0.000 0.806 438 E CB -0.168 29.460 29.700 -0.119 0.000 0.750 438 E HN 0.562 nan 8.360 nan 0.000 0.458 439 R N 0.269 120.715 120.500 -0.090 0.000 2.148 439 R HA -0.080 4.260 4.340 -0.000 0.000 0.227 439 R C 2.258 178.521 176.300 -0.061 0.000 1.103 439 R CA 0.661 56.740 56.100 -0.035 0.000 0.983 439 R CB -0.001 30.318 30.300 0.031 0.000 0.874 439 R HN 0.020 nan 8.270 nan 0.000 0.451 440 V N 0.047 119.878 119.914 -0.138 0.000 2.326 440 V HA -0.191 3.929 4.120 -0.000 0.000 0.238 440 V C 2.510 178.434 176.094 -0.282 0.000 1.038 440 V CA 2.131 64.330 62.300 -0.169 0.000 1.032 440 V CB -0.490 31.223 31.823 -0.184 0.000 0.675 440 V HN 0.502 nan 8.190 nan 0.000 0.467 441 T N -0.379 113.863 114.554 -0.520 0.000 2.720 441 T HA -0.289 4.061 4.350 -0.000 0.000 0.268 441 T C 1.909 176.452 174.700 -0.262 0.000 1.037 441 T CA 1.722 63.427 62.100 -0.659 0.000 1.144 441 T CB -0.485 67.772 68.868 -1.018 0.000 0.864 441 T HN 0.400 nan 8.240 nan 0.000 0.444 442 R N 0.249 120.617 120.500 -0.220 0.000 2.189 442 R HA 0.214 4.553 4.340 -0.000 0.000 0.223 442 R C 2.620 178.841 176.300 -0.131 0.000 1.092 442 R CA 1.278 57.286 56.100 -0.153 0.000 0.989 442 R CB -0.432 29.785 30.300 -0.138 0.000 0.876 442 R HN 0.533 nan 8.270 nan 0.000 0.457 443 M N 0.467 119.997 119.600 -0.117 0.000 2.123 443 M HA -0.118 4.362 4.480 -0.000 0.000 0.263 443 M C 1.817 178.048 176.300 -0.115 0.000 1.069 443 M CA 1.597 56.861 55.300 -0.060 0.000 1.133 443 M CB 0.129 32.738 32.600 0.015 0.000 1.356 443 M HN -0.048 nan 8.290 nan 0.000 0.415 444 V N 1.206 120.942 119.914 -0.298 0.000 2.343 444 V HA -0.289 3.831 4.120 -0.000 0.000 0.247 444 V C 2.284 178.265 176.094 -0.189 0.000 1.051 444 V CA 2.039 64.042 62.300 -0.496 0.000 1.036 444 V CB -1.024 30.478 31.823 -0.534 0.000 0.654 444 V HN 0.595 nan 8.190 nan 0.000 0.451 445 Q N -0.659 119.066 119.800 -0.126 0.000 2.226 445 Q HA -0.208 4.132 4.340 -0.000 0.000 0.204 445 Q C 2.445 178.348 176.000 -0.161 0.000 0.975 445 Q CA 1.383 57.117 55.803 -0.115 0.000 0.866 445 Q CB -0.155 28.541 28.738 -0.070 0.000 0.915 445 Q HN 0.544 nan 8.270 nan 0.000 0.440 446 R N 0.305 120.706 120.500 -0.164 0.000 2.090 446 R HA -0.068 4.272 4.340 -0.000 0.000 0.219 446 R C 0.475 176.680 176.300 -0.158 0.000 1.100 446 R CA 1.148 57.122 56.100 -0.210 0.000 0.991 446 R CB 0.498 30.672 30.300 -0.209 0.000 0.893 446 R HN 0.158 nan 8.270 nan 0.000 0.443 447 D N 0.031 120.409 120.400 -0.038 0.000 2.398 447 D HA -0.007 4.633 4.640 -0.000 0.000 0.210 447 D C 1.289 177.685 176.300 0.159 0.000 1.094 447 D CA 0.065 54.092 54.000 0.045 0.000 0.839 447 D CB 0.233 41.012 40.800 -0.035 0.000 0.963 447 D HN 0.358 nan 8.370 nan 0.000 0.506 448 R N 0.791 121.397 120.500 0.177 0.000 2.249 448 R HA -0.024 4.316 4.340 -0.000 0.000 0.230 448 R C 0.751 177.056 176.300 0.007 0.000 1.121 448 R CA 0.930 57.149 56.100 0.198 0.000 0.997 448 R CB -0.301 30.031 30.300 0.053 0.000 0.867 448 R HN -0.069 nan 8.270 nan 0.000 0.465 449 N N 0.144 118.772 118.700 -0.120 0.000 2.280 449 N HA 0.005 4.745 4.740 -0.000 0.000 0.192 449 N C -0.501 174.893 175.510 -0.195 0.000 1.109 449 N CA 0.202 53.161 53.050 -0.151 0.000 0.855 449 N CB 0.135 38.526 38.487 -0.159 0.000 0.974 449 N HN 0.275 nan 8.380 nan 0.000 0.482 450 H N 1.579 120.600 119.070 -0.080 0.000 2.742 450 H HA 0.098 4.654 4.556 -0.000 0.000 0.302 450 H C -1.169 174.022 175.328 -0.229 0.000 1.069 450 H CA -1.205 54.775 56.048 -0.114 0.000 1.446 450 H CB 1.413 31.144 29.762 -0.051 0.000 1.462 450 H HN 0.087 nan 8.280 nan 0.000 0.499 451 P HA -0.135 nan 4.420 nan 0.000 0.221 451 P C 1.376 178.203 177.300 -0.789 0.000 1.150 451 P CA 0.949 63.699 63.100 -0.583 0.000 0.800 451 P CB 0.357 31.515 31.700 -0.904 0.000 0.787 452 S N -0.409 114.932 115.700 -0.598 0.000 2.399 452 S HA -0.048 4.422 4.470 -0.000 0.000 0.231 452 S C 1.164 175.738 174.600 -0.043 0.000 1.022 452 S CA 0.442 58.475 58.200 -0.278 0.000 0.983 452 S CB -1.576 61.591 63.200 -0.055 0.000 0.803 452 S HN -0.054 nan 8.310 nan 0.000 0.480 453 V N 3.888 123.754 119.914 -0.081 0.000 2.421 453 V HA 0.213 4.333 4.120 -0.000 0.000 0.271 453 V C 1.095 177.058 176.094 -0.218 0.000 1.031 453 V CA 0.093 62.312 62.300 -0.135 0.000 1.032 453 V CB 0.184 31.848 31.823 -0.266 0.000 1.009 453 V HN 0.643 nan 8.190 nan 0.000 0.477 454 I N 2.505 123.004 120.570 -0.120 0.000 4.181 454 I HA 0.511 4.681 4.170 -0.000 0.000 0.331 454 I C 0.332 176.351 176.117 -0.163 0.000 1.312 454 I CA 0.447 61.686 61.300 -0.101 0.000 1.146 454 I CB 0.462 38.485 38.000 0.038 0.000 1.074 454 I HN 0.320 nan 8.210 nan 0.000 0.402 455 I N 0.248 120.691 120.570 -0.212 0.000 2.656 455 I HA 0.358 4.527 4.170 -0.000 0.000 0.292 455 I C -1.566 174.453 176.117 -0.163 0.000 1.144 455 I CA -0.411 60.807 61.300 -0.137 0.000 1.038 455 I CB 2.043 40.058 38.000 0.024 0.000 1.244 455 I HN 0.021 nan 8.210 nan 0.000 0.420 456 W N 3.814 125.176 121.300 0.104 0.000 2.438 456 W HA 0.618 5.278 4.660 -0.000 0.000 0.324 456 W C 0.386 176.982 176.519 0.129 0.000 1.119 456 W CA -0.655 56.758 57.345 0.112 0.000 1.221 456 W CB 1.700 31.222 29.460 0.103 0.000 1.253 456 W HN 0.294 nan 8.180 nan 0.000 0.555 457 S N 2.771 118.715 115.700 0.407 0.000 2.502 457 S HA 0.379 4.849 4.470 -0.000 0.000 0.304 457 S C 0.319 175.091 174.600 0.288 0.000 1.097 457 S CA -0.696 57.688 58.200 0.307 0.000 1.045 457 S CB 0.721 64.056 63.200 0.225 0.000 1.019 457 S HN 0.578 nan 8.310 nan 0.000 0.481 458 L N 4.311 125.692 121.223 0.263 0.000 2.610 458 L HA 0.306 4.646 4.340 -0.000 0.000 0.232 458 L C 1.410 178.340 176.870 0.100 0.000 1.149 458 L CA 0.539 55.451 54.840 0.120 0.000 0.872 458 L CB -1.146 40.884 42.059 -0.049 0.000 0.992 458 L HN 0.977 nan 8.230 nan 0.000 0.447 459 G N -0.088 108.863 108.800 0.251 0.000 2.265 459 G HA2 -0.128 3.832 3.960 -0.000 0.000 0.246 459 G HA3 -0.128 3.832 3.960 -0.000 0.000 0.246 459 G C -1.608 173.493 174.900 0.334 0.000 1.299 459 G CA -0.494 44.764 45.100 0.262 0.000 1.117 459 G HN 0.187 nan 8.290 nan 0.000 0.485 460 N N 0.100 118.940 118.700 0.234 0.000 2.405 460 N HA 0.462 5.202 4.740 -0.000 0.000 0.274 460 N C -0.519 174.949 175.510 -0.070 0.000 1.170 460 N CA 0.057 53.093 53.050 -0.023 0.000 0.848 460 N CB 1.580 39.769 38.487 -0.496 0.000 1.629 460 N HN 0.864 nan 8.380 nan 0.000 0.481 461 E N 0.613 120.673 120.200 -0.232 0.000 2.023 461 E HA -0.188 4.162 4.350 -0.000 0.000 0.164 461 E C -0.788 175.746 176.600 -0.110 0.000 1.456 461 E CA 0.775 56.976 56.400 -0.331 0.000 0.617 461 E CB -1.256 27.997 29.700 -0.744 0.000 1.042 461 E HN 0.416 nan 8.360 nan 0.000 0.301 462 S N 0.094 115.866 115.700 0.119 0.000 2.941 462 S HA 0.388 4.858 4.470 -0.000 0.000 0.251 462 S C 0.674 175.448 174.600 0.290 0.000 1.029 462 S CA -0.191 58.138 58.200 0.214 0.000 1.062 462 S CB 1.384 64.772 63.200 0.313 0.000 0.977 462 S HN 0.851 nan 8.310 nan 0.000 0.552 463 G N 2.012 110.918 108.800 0.175 0.000 2.598 463 G HA2 -0.270 3.690 3.960 -0.000 0.000 0.269 463 G HA3 -0.270 3.690 3.960 -0.000 0.000 0.269 463 G C -0.504 174.614 174.900 0.362 0.000 1.289 463 G CA -0.073 45.135 45.100 0.180 0.000 0.926 463 G HN 0.637 nan 8.290 nan 0.000 0.567 464 H N 0.492 119.695 119.070 0.222 0.000 2.727 464 H HA 0.573 5.129 4.556 -0.000 0.000 0.330 464 H C 0.341 175.841 175.328 0.288 0.000 0.986 464 H CA -0.035 56.193 56.048 0.300 0.000 1.251 464 H CB 0.723 30.588 29.762 0.172 0.000 1.493 464 H HN 1.047 nan 8.280 nan 0.000 0.515 465 G N 1.435 110.273 108.800 0.064 0.000 2.714 465 G HA2 0.452 4.412 3.960 -0.000 0.000 0.292 465 G HA3 0.452 4.412 3.960 -0.000 0.000 0.292 465 G C 0.530 175.281 174.900 -0.249 0.000 1.308 465 G CA -0.143 44.850 45.100 -0.178 0.000 0.964 465 G HN 0.654 nan 8.290 nan 0.000 0.484 466 A N 0.039 122.759 122.820 -0.167 0.000 2.019 466 A HA -0.076 4.244 4.320 -0.000 0.000 0.219 466 A C 2.092 179.647 177.584 -0.048 0.000 1.164 466 A CA 1.829 53.815 52.037 -0.085 0.000 0.644 466 A CB -0.425 18.548 19.000 -0.045 0.000 0.805 466 A HN 0.514 nan 8.150 nan 0.000 0.449 467 N N -0.293 118.340 118.700 -0.111 0.000 2.223 467 N HA -0.135 4.605 4.740 -0.000 0.000 0.185 467 N C 1.377 176.823 175.510 -0.105 0.000 1.016 467 N CA 1.618 54.593 53.050 -0.125 0.000 0.863 467 N CB -0.637 37.736 38.487 -0.190 0.000 0.983 467 N HN 0.787 nan 8.380 nan 0.000 0.429 468 H N 0.333 119.387 119.070 -0.026 0.000 2.357 468 H HA -0.007 4.549 4.556 -0.000 0.000 0.301 468 H C 1.206 176.609 175.328 0.126 0.000 1.082 468 H CA 1.179 57.225 56.048 -0.004 0.000 1.342 468 H CB 0.200 29.972 29.762 0.017 0.000 1.389 468 H HN 0.182 nan 8.280 nan 0.000 0.511 469 D N 0.331 120.896 120.400 0.276 0.000 2.144 469 D HA -0.103 4.537 4.640 -0.000 0.000 0.200 469 D C 2.240 178.702 176.300 0.271 0.000 0.978 469 D CA 1.077 55.246 54.000 0.282 0.000 0.833 469 D CB -0.244 40.688 40.800 0.221 0.000 0.961 469 D HN 0.426 nan 8.370 nan 0.000 0.470 470 A N 0.823 123.747 122.820 0.172 0.000 1.898 470 A HA -0.070 4.250 4.320 -0.000 0.000 0.216 470 A C 2.361 180.050 177.584 0.175 0.000 1.181 470 A CA 0.732 52.857 52.037 0.146 0.000 0.620 470 A CB -0.645 18.400 19.000 0.074 0.000 0.819 470 A HN 0.178 nan 8.150 nan 0.000 0.442 471 L N -1.870 119.442 121.223 0.148 0.000 2.217 471 L HA -0.109 4.231 4.340 -0.000 0.000 0.211 471 L C 2.526 179.533 176.870 0.228 0.000 1.107 471 L CA 1.243 56.172 54.840 0.147 0.000 0.783 471 L CB -0.577 41.505 42.059 0.039 0.000 0.919 471 L HN 0.638 nan 8.230 nan 0.000 0.442 472 Y N 1.285 121.672 120.300 0.145 0.000 2.163 472 Y HA -0.271 4.279 4.550 -0.000 0.000 0.288 472 Y C 2.774 178.757 175.900 0.137 0.000 1.136 472 Y CA 1.572 59.759 58.100 0.145 0.000 1.147 472 Y CB -0.144 38.403 38.460 0.145 0.000 0.987 472 Y HN -0.050 nan 8.280 nan 0.000 0.509 473 R N -0.078 120.462 120.500 0.068 0.000 2.115 473 R HA -0.181 4.159 4.340 -0.000 0.000 0.230 473 R C 1.983 178.253 176.300 -0.049 0.000 1.111 473 R CA 1.778 57.852 56.100 -0.044 0.000 0.976 473 R CB -1.469 28.910 30.300 0.131 0.000 0.870 473 R HN 0.643 nan 8.270 nan 0.000 0.445 474 W N 0.452 121.691 121.300 -0.102 0.000 2.355 474 W HA -0.121 4.539 4.660 -0.000 0.000 0.309 474 W C 1.620 178.040 176.519 -0.164 0.000 1.206 474 W CA 1.932 59.212 57.345 -0.109 0.000 1.284 474 W CB -0.258 29.145 29.460 -0.094 0.000 1.145 474 W HN 0.067 nan 8.180 nan 0.000 0.502 475 I N 0.819 121.357 120.570 -0.054 0.000 2.179 475 I HA -0.336 3.834 4.170 -0.000 0.000 0.242 475 I C 2.409 178.319 176.117 -0.344 0.000 1.088 475 I CA 1.303 62.433 61.300 -0.282 0.000 1.357 475 I CB -0.724 37.189 38.000 -0.145 0.000 1.051 475 I HN -0.122 nan 8.210 nan 0.000 0.409 476 K N 0.350 120.554 120.400 -0.327 0.000 2.152 476 K HA -0.167 4.153 4.320 -0.000 0.000 0.206 476 K C 2.261 178.718 176.600 -0.238 0.000 1.048 476 K CA 1.480 57.601 56.287 -0.277 0.000 0.933 476 K CB -0.554 31.729 32.500 -0.362 0.000 0.721 476 K HN 0.265 nan 8.250 nan 0.000 0.447 477 S N 0.916 116.434 115.700 -0.303 0.000 2.362 477 S HA -0.081 4.389 4.470 -0.000 0.000 0.221 477 S C 1.989 176.372 174.600 -0.361 0.000 1.032 477 S CA 1.167 59.193 58.200 -0.290 0.000 0.973 477 S CB -0.090 62.937 63.200 -0.288 0.000 0.849 477 S HN 0.180 nan 8.310 nan 0.000 0.465 478 V N -0.758 118.802 119.914 -0.589 0.000 3.052 478 V HA 0.306 4.426 4.120 -0.000 0.000 0.254 478 V C 0.143 176.010 176.094 -0.379 0.000 1.100 478 V CA 1.312 63.270 62.300 -0.571 0.000 1.112 478 V CB -0.232 31.009 31.823 -0.970 0.000 0.738 478 V HN 0.439 nan 8.190 nan 0.000 0.469 479 D N 0.768 120.986 120.400 -0.303 0.000 2.472 479 D HA 0.354 4.993 4.640 -0.000 0.000 0.248 479 D C -2.049 174.235 176.300 -0.027 0.000 1.271 479 D CA -1.467 52.463 54.000 -0.117 0.000 0.888 479 D CB 1.662 42.457 40.800 -0.008 0.000 1.337 479 D HN 0.222 nan 8.370 nan 0.000 0.526 480 P HA -0.015 nan 4.420 nan 0.000 0.245 480 P C 0.896 178.219 177.300 0.039 0.000 1.212 480 P CA 0.258 63.354 63.100 -0.007 0.000 0.774 480 P CB 0.218 31.904 31.700 -0.024 0.000 0.999 481 S N -0.937 114.797 115.700 0.056 0.000 2.562 481 S HA 0.082 4.552 4.470 -0.000 0.000 0.221 481 S C 0.910 175.551 174.600 0.068 0.000 0.975 481 S CA -0.250 57.990 58.200 0.068 0.000 0.918 481 S CB -0.345 62.890 63.200 0.058 0.000 0.772 481 S HN 0.107 nan 8.310 nan 0.000 0.531 482 R N 1.159 121.717 120.500 0.096 0.000 2.628 482 R HA 0.543 4.883 4.340 -0.000 0.000 0.288 482 R C -3.239 173.136 176.300 0.124 0.000 0.980 482 R CA -2.198 53.935 56.100 0.054 0.000 0.891 482 R CB 1.512 31.744 30.300 -0.114 0.000 1.188 482 R HN 0.145 nan 8.270 nan 0.000 0.450 483 P HA 0.099 nan 4.420 nan 0.000 0.272 483 P C -0.834 176.591 177.300 0.208 0.000 1.230 483 P CA -0.400 62.781 63.100 0.134 0.000 0.788 483 P CB 0.727 32.485 31.700 0.097 0.000 0.949 484 V N 2.365 122.439 119.914 0.266 0.000 2.495 484 V HA 0.427 4.547 4.120 -0.000 0.000 0.298 484 V C 0.111 176.404 176.094 0.332 0.000 1.031 484 V CA -0.290 62.218 62.300 0.346 0.000 0.871 484 V CB 1.204 33.239 31.823 0.353 0.000 0.988 484 V HN 0.605 nan 8.190 nan 0.000 0.432 485 Q N 3.824 123.794 119.800 0.283 0.000 2.433 485 Q HA 0.817 5.157 4.340 -0.000 0.000 0.279 485 Q C -1.860 174.301 176.000 0.268 0.000 1.105 485 Q CA -0.926 55.003 55.803 0.210 0.000 0.815 485 Q CB 2.986 31.800 28.738 0.126 0.000 1.403 485 Q HN 0.630 nan 8.270 nan 0.000 0.435 486 Y N 0.108 120.416 120.300 0.013 0.000 2.409 486 Y HA 0.158 4.708 4.550 -0.000 0.000 0.321 486 Y C -0.584 175.259 175.900 -0.096 0.000 1.209 486 Y CA -0.773 57.303 58.100 -0.039 0.000 1.086 486 Y CB 2.076 40.498 38.460 -0.064 0.000 1.320 486 Y HN 0.947 nan 8.280 nan 0.000 0.440 487 E N 3.260 122.969 120.200 -0.819 0.000 2.276 487 E HA 0.142 4.492 4.350 -0.000 0.000 0.193 487 E C 0.662 176.829 176.600 -0.721 0.000 0.983 487 E CA 0.756 56.788 56.400 -0.614 0.000 0.861 487 E CB 0.234 29.707 29.700 -0.378 0.000 0.817 487 E HN 0.890 nan 8.360 nan 0.000 0.485 488 G N -0.067 107.929 108.800 -1.339 0.000 2.474 488 G HA2 0.217 4.177 3.960 -0.000 0.000 0.233 488 G HA3 0.217 4.177 3.960 -0.000 0.000 0.233 488 G C 0.809 175.581 174.900 -0.214 0.000 1.278 488 G CA 0.351 45.070 45.100 -0.635 0.000 0.861 488 G HN 0.363 nan 8.290 nan 0.000 0.567 489 G N -0.302 108.475 108.800 -0.038 0.000 2.160 489 G HA2 0.232 4.192 3.960 -0.000 0.000 0.251 489 G HA3 0.232 4.192 3.960 -0.000 0.000 0.251 489 G C 1.244 176.164 174.900 0.033 0.000 1.008 489 G CA 0.974 46.113 45.100 0.065 0.000 0.724 489 G HN 2.622 nan 8.290 nan 0.000 0.514 490 G N -1.596 107.218 108.800 0.023 0.000 2.205 490 G HA2 0.435 4.395 3.960 -0.000 0.000 0.180 490 G HA3 0.435 4.395 3.960 -0.000 0.000 0.180 490 G C 1.111 176.141 174.900 0.216 0.000 1.004 490 G CA 1.294 46.469 45.100 0.126 0.000 0.670 490 G HN 2.312 nan 8.290 nan 0.000 0.496 491 A N -0.093 122.735 122.820 0.015 0.000 3.420 491 A HA -0.168 4.152 4.320 -0.000 0.000 0.269 491 A C 1.169 178.688 177.584 -0.109 0.000 1.122 491 A CA 2.729 54.710 52.037 -0.093 0.000 1.023 491 A CB -1.749 17.177 19.000 -0.124 0.000 1.099 491 A HN 2.083 nan 8.150 nan 0.000 0.860 492 D N -0.942 119.479 120.400 0.036 0.000 2.692 492 D HA 0.301 4.941 4.640 -0.000 0.000 0.290 492 D C 0.450 176.746 176.300 -0.006 0.000 1.455 492 D CA 0.833 54.854 54.000 0.035 0.000 0.796 492 D CB -1.170 39.790 40.800 0.266 0.000 1.131 492 D HN 0.808 nan 8.370 nan 0.000 0.467 493 T N -2.274 112.209 114.554 -0.118 0.000 2.689 493 T HA 0.168 4.518 4.350 -0.000 0.000 0.308 493 T C 1.587 176.154 174.700 -0.221 0.000 1.021 493 T CA 0.536 62.495 62.100 -0.234 0.000 0.973 493 T CB 0.667 69.147 68.868 -0.646 0.000 1.113 493 T HN 0.087 nan 8.240 nan 0.000 0.522 494 T N -2.733 111.689 114.554 -0.221 0.000 3.160 494 T HA 0.267 4.617 4.350 -0.000 0.000 0.257 494 T C 1.428 175.893 174.700 -0.391 0.000 1.147 494 T CA 0.200 62.188 62.100 -0.186 0.000 1.064 494 T CB -0.468 68.376 68.868 -0.039 0.000 0.949 494 T HN 0.832 nan 8.240 nan 0.000 0.526 495 A N 0.458 123.055 122.820 -0.373 0.000 2.460 495 A HA 0.534 4.854 4.320 -0.000 0.000 0.258 495 A C 0.753 178.136 177.584 -0.336 0.000 1.300 495 A CA -0.342 51.436 52.037 -0.433 0.000 0.913 495 A CB 0.097 19.118 19.000 0.034 0.000 1.031 495 A HN 0.429 nan 8.150 nan 0.000 0.512 496 T N -1.355 113.007 114.554 -0.320 0.000 2.952 496 T HA 0.351 4.701 4.350 -0.000 0.000 0.305 496 T C -0.679 174.002 174.700 -0.033 0.000 1.064 496 T CA -0.453 61.606 62.100 -0.067 0.000 1.008 496 T CB 1.209 70.054 68.868 -0.038 0.000 1.078 496 T HN 0.105 nan 8.240 nan 0.000 0.459 497 D N 2.995 123.460 120.400 0.109 0.000 2.348 497 D HA 0.245 4.885 4.640 -0.000 0.000 0.211 497 D C 0.399 176.722 176.300 0.038 0.000 0.998 497 D CA 0.668 54.733 54.000 0.108 0.000 0.873 497 D CB 0.537 41.444 40.800 0.178 0.000 0.925 497 D HN 0.542 nan 8.370 nan 0.000 0.524 498 I N 1.054 121.628 120.570 0.008 0.000 2.582 498 I HA 0.255 4.424 4.170 -0.000 0.000 0.292 498 I C -0.170 175.877 176.117 -0.117 0.000 1.066 498 I CA -0.896 60.377 61.300 -0.045 0.000 1.053 498 I CB 2.841 40.828 38.000 -0.023 0.000 1.241 498 I HN -0.358 nan 8.210 nan 0.000 0.421 499 I N 5.648 126.102 120.570 -0.193 0.000 2.494 499 I HA 0.038 4.208 4.170 -0.000 0.000 0.289 499 I C 0.293 176.198 176.117 -0.353 0.000 1.106 499 I CA -0.001 61.085 61.300 -0.357 0.000 1.369 499 I CB 0.099 37.772 38.000 -0.545 0.000 1.410 499 I HN 0.688 nan 8.210 nan 0.000 0.523 500 C N 5.818 124.932 119.300 -0.311 0.000 3.163 500 C HA 0.454 4.914 4.460 -0.000 0.000 0.228 500 C C -1.955 172.901 174.990 -0.224 0.000 1.593 500 C CA -2.301 56.586 59.018 -0.220 0.000 1.489 500 C CB -0.997 26.675 27.740 -0.113 0.000 2.294 500 C HN 0.448 nan 8.230 nan 0.000 0.508 501 P HA 0.251 nan 4.420 nan 0.000 0.272 501 P C -0.453 176.812 177.300 -0.058 0.000 1.230 501 P CA 0.473 63.480 63.100 -0.154 0.000 0.788 501 P CB 0.919 32.518 31.700 -0.168 0.000 0.949 502 M N 0.843 120.447 119.600 0.006 0.000 2.227 502 M HA 0.414 4.894 4.480 -0.000 0.000 0.335 502 M C -0.731 175.613 176.300 0.073 0.000 1.053 502 M CA -0.666 54.560 55.300 -0.124 0.000 0.973 502 M CB 1.080 33.621 32.600 -0.099 0.000 1.623 502 M HN 0.319 nan 8.290 nan 0.000 0.434 503 Y N -0.157 120.320 120.300 0.294 0.000 4.490 503 Y HA -0.216 4.334 4.550 -0.000 0.000 0.233 503 Y C 0.510 176.595 175.900 0.308 0.000 1.101 503 Y CA 0.490 58.773 58.100 0.304 0.000 2.010 503 Y CB -2.226 36.409 38.460 0.292 0.000 1.622 503 Y HN 0.977 nan 8.280 nan 0.000 0.675 504 A N 1.167 124.212 122.820 0.375 0.000 2.440 504 A HA 0.563 4.883 4.320 -0.000 0.000 0.251 504 A C 0.714 178.524 177.584 0.378 0.000 1.089 504 A CA -0.442 51.821 52.037 0.377 0.000 0.779 504 A CB 0.380 19.643 19.000 0.437 0.000 1.022 504 A HN 0.412 nan 8.150 nan 0.000 0.492 505 R N 1.602 122.256 120.500 0.255 0.000 2.543 505 R HA 0.325 4.665 4.340 -0.000 0.000 0.268 505 R C 1.027 177.309 176.300 -0.031 0.000 1.067 505 R CA -0.727 55.456 56.100 0.138 0.000 1.142 505 R CB 0.577 30.921 30.300 0.073 0.000 1.110 505 R HN 0.487 nan 8.270 nan 0.000 0.549 506 V N 0.784 120.511 119.914 -0.312 0.000 2.244 506 V HA -0.226 3.894 4.120 -0.000 0.000 0.244 506 V C 1.046 177.026 176.094 -0.189 0.000 1.042 506 V CA 1.923 64.002 62.300 -0.367 0.000 1.006 506 V CB -0.277 31.201 31.823 -0.574 0.000 0.641 506 V HN 0.764 nan 8.190 nan 0.000 0.446 507 D N -1.409 118.910 120.400 -0.135 0.000 2.455 507 D HA 0.085 4.725 4.640 -0.000 0.000 0.228 507 D C 0.980 177.264 176.300 -0.026 0.000 1.070 507 D CA 0.042 53.999 54.000 -0.072 0.000 0.881 507 D CB 0.570 41.333 40.800 -0.063 0.000 1.087 507 D HN 0.512 nan 8.370 nan 0.000 0.498 508 E N 2.024 122.212 120.200 -0.021 0.000 2.229 508 E HA 0.090 4.440 4.350 -0.000 0.000 0.283 508 E C -0.765 175.834 176.600 -0.003 0.000 1.030 508 E CA -0.541 55.854 56.400 -0.007 0.000 0.836 508 E CB 0.913 30.609 29.700 -0.006 0.000 1.068 508 E HN -0.168 nan 8.360 nan 0.000 0.401 509 D N 3.740 124.139 120.400 -0.002 0.000 2.313 509 D HA 0.133 4.773 4.640 -0.000 0.000 0.247 509 D C -0.534 175.651 176.300 -0.193 0.000 1.094 509 D CA 0.083 54.071 54.000 -0.019 0.000 0.925 509 D CB 1.246 42.116 40.800 0.116 0.000 1.188 509 D HN 0.445 nan 8.370 nan 0.000 0.430 510 Q N 1.156 120.708 119.800 -0.415 0.000 2.932 510 Q HA 0.215 4.555 4.340 -0.000 0.000 0.248 510 Q C -2.170 173.190 176.000 -1.068 0.000 0.982 510 Q CA -1.444 53.898 55.803 -0.768 0.000 0.730 510 Q CB 2.215 30.435 28.738 -0.864 0.000 1.249 510 Q HN 0.185 nan 8.270 nan 0.000 0.476 511 P HA -0.107 nan 4.420 nan 0.000 0.271 511 P C -0.561 176.464 177.300 -0.459 0.000 1.601 511 P CA 0.206 62.897 63.100 -0.682 0.000 0.856 511 P CB -0.674 30.831 31.700 -0.326 0.000 1.820 512 F N 1.283 121.054 119.950 -0.299 0.000 2.602 512 F HA 0.059 4.586 4.527 -0.000 0.000 0.367 512 F C -1.156 174.538 175.800 -0.177 0.000 1.126 512 F CA -2.161 55.727 58.000 -0.186 0.000 1.321 512 F CB -0.719 38.192 39.000 -0.149 0.000 1.094 512 F HN 0.011 nan 8.300 nan 0.000 0.594 513 P HA 0.083 nan 4.420 nan 0.000 0.268 513 P C 0.262 177.578 177.300 0.026 0.000 1.205 513 P CA 1.212 64.329 63.100 0.030 0.000 0.771 513 P CB 1.118 32.835 31.700 0.029 0.000 0.858 514 A N 2.768 125.597 122.820 0.015 0.000 2.066 514 A HA -0.262 4.058 4.320 -0.000 0.000 0.231 514 A C 0.835 178.433 177.584 0.023 0.000 0.465 514 A CA 2.188 54.241 52.037 0.026 0.000 1.110 514 A CB -2.719 16.300 19.000 0.030 0.000 1.434 514 A HN 0.656 nan 8.150 nan 0.000 0.706 515 V N -2.638 117.287 119.914 0.018 0.000 2.446 515 V HA 0.549 4.669 4.120 -0.000 0.000 0.257 515 V C -2.001 174.094 176.094 0.002 0.000 1.036 515 V CA -1.255 61.059 62.300 0.024 0.000 1.196 515 V CB 0.408 32.253 31.823 0.038 0.000 1.446 515 V HN 0.571 nan 8.190 nan 0.000 0.558 516 P HA 0.234 nan 4.420 nan 0.000 0.269 516 P C -0.657 176.230 177.300 -0.689 0.000 1.215 516 P CA 0.074 62.803 63.100 -0.619 0.000 0.780 516 P CB 1.103 32.025 31.700 -1.296 0.000 0.898 517 K N 2.305 122.332 120.400 -0.622 0.000 2.478 517 K HA 0.218 4.538 4.320 -0.000 0.000 0.236 517 K C -0.462 175.868 176.600 -0.451 0.000 1.021 517 K CA -0.284 55.839 56.287 -0.273 0.000 1.010 517 K CB 0.462 33.042 32.500 0.133 0.000 1.331 517 K HN 0.471 nan 8.250 nan 0.000 0.470 518 W N 1.224 122.217 121.300 -0.512 0.000 2.129 518 W HA 0.096 4.756 4.660 -0.000 0.000 0.349 518 W C 1.289 177.808 176.519 -0.000 0.000 1.279 518 W CA -0.524 56.608 57.345 -0.355 0.000 1.306 518 W CB 0.504 29.587 29.460 -0.629 0.000 1.140 518 W HN 0.358 nan 8.180 nan 0.000 0.613 519 S N 2.876 118.731 115.700 0.259 0.000 2.558 519 S HA -0.069 4.401 4.470 -0.000 0.000 0.293 519 S C 1.177 175.923 174.600 0.244 0.000 1.292 519 S CA -0.221 58.076 58.200 0.161 0.000 1.063 519 S CB 0.128 63.370 63.200 0.070 0.000 0.831 519 S HN 0.511 nan 8.310 nan 0.000 0.499 520 I N 2.394 123.074 120.570 0.183 0.000 2.361 520 I HA -0.123 4.047 4.170 -0.000 0.000 0.251 520 I C 2.012 178.158 176.117 0.048 0.000 1.133 520 I CA 1.159 62.571 61.300 0.186 0.000 1.413 520 I CB -0.408 37.644 38.000 0.087 0.000 1.073 520 I HN 0.602 nan 8.210 nan 0.000 0.424 521 K N 1.610 121.938 120.400 -0.120 0.000 2.097 521 K HA -0.169 4.151 4.320 -0.000 0.000 0.205 521 K C 2.283 178.884 176.600 0.002 0.000 1.050 521 K CA 1.715 57.843 56.287 -0.264 0.000 0.938 521 K CB -0.186 32.077 32.500 -0.394 0.000 0.718 521 K HN 0.414 nan 8.250 nan 0.000 0.442 522 K N 0.241 120.665 120.400 0.041 0.000 2.116 522 K HA -0.155 4.165 4.320 -0.000 0.000 0.203 522 K C 1.919 178.552 176.600 0.055 0.000 1.052 522 K CA 0.677 56.978 56.287 0.022 0.000 0.952 522 K CB -0.069 32.410 32.500 -0.035 0.000 0.729 522 K HN 0.182 nan 8.250 nan 0.000 0.446 523 W N 2.212 123.501 121.300 -0.018 0.000 2.318 523 W HA -0.211 4.449 4.660 -0.000 0.000 0.313 523 W C 1.642 178.147 176.519 -0.022 0.000 1.221 523 W CA 1.248 58.595 57.345 0.003 0.000 1.266 523 W CB -0.662 28.869 29.460 0.119 0.000 1.150 523 W HN 0.104 nan 8.180 nan 0.000 0.496 524 L N 0.743 122.126 121.223 0.266 0.000 2.081 524 L HA -0.257 4.083 4.340 -0.000 0.000 0.212 524 L C 2.245 179.183 176.870 0.113 0.000 1.080 524 L CA 2.055 56.986 54.840 0.151 0.000 0.754 524 L CB -1.005 41.132 42.059 0.130 0.000 0.893 524 L HN -0.006 nan 8.230 nan 0.000 0.433 525 S N -1.411 114.340 115.700 0.086 0.000 2.572 525 S HA 0.258 4.728 4.470 -0.000 0.000 0.228 525 S C 0.531 175.121 174.600 -0.016 0.000 0.963 525 S CA -0.545 57.676 58.200 0.035 0.000 0.939 525 S CB -0.446 62.773 63.200 0.032 0.000 0.804 525 S HN 0.151 nan 8.310 nan 0.000 0.480 526 L N 2.067 123.270 121.223 -0.033 0.000 2.514 526 L HA 0.217 4.557 4.340 -0.000 0.000 0.280 526 L C -2.215 174.623 176.870 -0.053 0.000 1.223 526 L CA -1.706 53.067 54.840 -0.112 0.000 0.864 526 L CB -0.382 41.580 42.059 -0.161 0.000 1.118 526 L HN 0.021 nan 8.230 nan 0.000 0.494 527 P HA -0.084 nan 4.420 nan 0.000 0.255 527 P C 0.772 178.065 177.300 -0.011 0.000 1.161 527 P CA 1.331 64.408 63.100 -0.038 0.000 0.768 527 P CB 0.322 31.993 31.700 -0.048 0.000 0.746 528 G N 2.059 110.860 108.800 0.001 0.000 2.225 528 G HA2 -0.278 3.682 3.960 -0.000 0.000 0.254 528 G HA3 -0.278 3.682 3.960 -0.000 0.000 0.254 528 G C 0.289 175.205 174.900 0.027 0.000 0.988 528 G CA 0.088 45.196 45.100 0.014 0.000 0.625 528 G HN 0.613 nan 8.290 nan 0.000 0.527 529 E N 1.182 121.403 120.200 0.036 0.000 2.360 529 E HA 0.566 4.916 4.350 -0.000 0.000 0.269 529 E C 1.407 178.031 176.600 0.041 0.000 1.022 529 E CA 0.839 57.273 56.400 0.056 0.000 0.887 529 E CB 0.788 30.548 29.700 0.099 0.000 0.990 529 E HN 0.581 nan 8.360 nan 0.000 0.426 530 T N 0.644 115.219 114.554 0.035 0.000 3.009 530 T HA 0.302 4.652 4.350 -0.000 0.000 0.267 530 T C 0.546 175.255 174.700 0.016 0.000 0.942 530 T CA -0.448 61.666 62.100 0.025 0.000 0.883 530 T CB 0.078 68.960 68.868 0.023 0.000 1.192 530 T HN 0.267 nan 8.240 nan 0.000 0.524 531 R N 2.766 123.272 120.500 0.009 0.000 2.641 531 R HA 0.391 4.731 4.340 -0.000 0.000 0.269 531 R C -2.420 173.860 176.300 -0.034 0.000 1.074 531 R CA -1.618 54.475 56.100 -0.011 0.000 1.133 531 R CB 0.116 30.402 30.300 -0.024 0.000 1.029 531 R HN 0.301 nan 8.270 nan 0.000 0.488 532 P HA 0.083 nan 4.420 nan 0.000 0.276 532 P C -1.055 176.174 177.300 -0.118 0.000 1.244 532 P CA -0.158 62.901 63.100 -0.069 0.000 0.801 532 P CB 0.883 32.545 31.700 -0.063 0.000 1.006 533 L N 3.084 124.218 121.223 -0.148 0.000 2.356 533 L HA 0.572 4.912 4.340 -0.000 0.000 0.277 533 L C -0.844 175.879 176.870 -0.245 0.000 0.996 533 L CA -0.781 53.931 54.840 -0.213 0.000 0.822 533 L CB 0.652 42.580 42.059 -0.217 0.000 1.256 533 L HN 0.263 nan 8.230 nan 0.000 0.413 534 I N 5.848 126.275 120.570 -0.238 0.000 2.497 534 I HA 0.234 4.404 4.170 -0.000 0.000 0.284 534 I C -0.784 175.227 176.117 -0.177 0.000 1.060 534 I CA -0.560 60.583 61.300 -0.262 0.000 1.071 534 I CB 1.935 39.833 38.000 -0.170 0.000 1.216 534 I HN 0.469 nan 8.210 nan 0.000 0.442 535 L N 5.524 126.612 121.223 -0.225 0.000 2.513 535 L HA 0.015 4.355 4.340 -0.000 0.000 0.272 535 L C 1.527 178.454 176.870 0.095 0.000 1.187 535 L CA -0.129 54.645 54.840 -0.109 0.000 0.895 535 L CB 0.510 42.474 42.059 -0.159 0.000 1.147 535 L HN 0.853 nan 8.230 nan 0.000 0.483 536 C N 0.245 119.601 119.300 0.093 0.000 2.448 536 C HA 0.147 4.607 4.460 -0.000 0.000 0.280 536 C C 0.624 175.763 174.990 0.248 0.000 1.398 536 C CA -0.217 58.912 59.018 0.184 0.000 1.774 536 C CB -1.093 26.667 27.740 0.034 0.000 1.888 536 C HN 0.831 nan 8.230 nan 0.000 0.519 537 E N -0.785 119.490 120.200 0.125 0.000 2.321 537 E HA 0.582 4.932 4.350 -0.000 0.000 0.281 537 E C -1.393 175.112 176.600 -0.158 0.000 0.910 537 E CA -0.363 56.081 56.400 0.073 0.000 0.770 537 E CB 1.921 31.538 29.700 -0.137 0.000 1.225 537 E HN 0.664 nan 8.360 nan 0.000 0.417 538 Y N -0.728 119.495 120.300 -0.128 0.000 2.656 538 Y HA 0.621 5.171 4.550 -0.000 0.000 0.334 538 Y C -0.705 175.299 175.900 0.173 0.000 1.179 538 Y CA -0.743 57.281 58.100 -0.128 0.000 1.050 538 Y CB 1.037 39.325 38.460 -0.287 0.000 1.308 538 Y HN 0.665 nan 8.280 nan 0.000 0.456 539 A N 2.157 124.994 122.820 0.029 0.000 2.360 539 A HA -0.256 4.064 4.320 -0.000 0.000 0.289 539 A C -0.409 177.296 177.584 0.203 0.000 1.437 539 A CA 0.979 53.047 52.037 0.052 0.000 0.734 539 A CB -2.516 16.389 19.000 -0.159 0.000 1.145 539 A HN 1.120 nan 8.150 nan 0.000 0.374 540 H N 0.637 119.890 119.070 0.304 0.000 3.226 540 H HA 0.234 4.790 4.556 -0.000 0.000 0.260 540 H C 1.151 176.552 175.328 0.120 0.000 0.967 540 H CA 0.974 57.215 56.048 0.322 0.000 1.435 540 H CB 0.424 30.278 29.762 0.154 0.000 1.533 540 H HN 0.828 nan 8.280 nan 0.000 0.525 541 A N 5.038 127.800 122.820 -0.096 0.000 2.648 541 A HA 0.325 4.645 4.320 -0.000 0.000 0.269 541 A C 1.027 178.507 177.584 -0.175 0.000 1.392 541 A CA 0.100 52.056 52.037 -0.135 0.000 1.019 541 A CB -0.542 18.359 19.000 -0.165 0.000 1.009 541 A HN 0.733 nan 8.150 nan 0.000 0.565 542 A N 0.331 123.050 122.820 -0.169 0.000 2.438 542 A HA 0.519 4.839 4.320 -0.000 0.000 0.280 542 A C 1.430 178.884 177.584 -0.216 0.000 1.160 542 A CA 0.577 52.513 52.037 -0.169 0.000 0.821 542 A CB -0.947 18.007 19.000 -0.077 0.000 1.101 542 A HN 2.204 nan 8.150 nan 0.000 0.515 543 G N 2.604 111.255 108.800 -0.248 0.000 2.566 543 G HA2 -0.323 3.637 3.960 -0.000 0.000 0.280 543 G HA3 -0.323 3.637 3.960 -0.000 0.000 0.280 543 G C 0.417 174.863 174.900 -0.758 0.000 1.225 543 G CA 0.254 45.034 45.100 -0.533 0.000 0.966 543 G HN 1.204 nan 8.290 nan 0.000 0.560 544 N N 1.351 119.381 118.700 -1.117 0.000 2.410 544 N HA 0.425 5.165 4.740 -0.000 0.000 0.281 544 N C 0.115 175.372 175.510 -0.421 0.000 1.241 544 N CA 1.195 53.776 53.050 -0.782 0.000 0.998 544 N CB 0.230 38.269 38.487 -0.746 0.000 1.376 544 N HN 0.791 nan 8.380 nan 0.000 0.490 545 S N 1.917 117.458 115.700 -0.265 0.000 3.132 545 S HA 0.598 5.068 4.470 -0.000 0.000 0.322 545 S C -0.078 174.456 174.600 -0.109 0.000 1.124 545 S CA -0.376 57.720 58.200 -0.172 0.000 0.906 545 S CB 0.142 63.265 63.200 -0.129 0.000 1.349 545 S HN 0.357 nan 8.310 nan 0.000 0.686 546 L N 0.161 121.350 121.223 -0.056 0.000 4.406 546 L HA -0.054 4.286 4.340 -0.000 0.000 0.406 546 L C 0.464 177.370 176.870 0.061 0.000 1.133 546 L CA 0.871 55.704 54.840 -0.012 0.000 0.974 546 L CB -1.754 40.219 42.059 -0.145 0.000 2.152 546 L HN 0.712 nan 8.230 nan 0.000 0.736 547 G N -0.757 108.045 108.800 0.004 0.000 2.365 547 G HA2 0.484 4.444 3.960 -0.000 0.000 0.249 547 G HA3 0.484 4.444 3.960 -0.000 0.000 0.249 547 G C 1.209 176.130 174.900 0.036 0.000 1.288 547 G CA 0.164 45.237 45.100 -0.044 0.000 0.887 547 G HN 1.420 nan 8.290 nan 0.000 0.524 548 G N 1.558 110.366 108.800 0.013 0.000 2.143 548 G HA2 -0.314 3.646 3.960 -0.000 0.000 0.249 548 G HA3 -0.314 3.646 3.960 -0.000 0.000 0.249 548 G C 0.931 175.994 174.900 0.273 0.000 0.981 548 G CA 0.734 45.897 45.100 0.105 0.000 0.665 548 G HN 0.826 nan 8.290 nan 0.000 0.528 549 F N 1.627 121.682 119.950 0.175 0.000 2.171 549 F HA 0.184 4.711 4.527 -0.000 0.000 0.300 549 F C 2.574 178.578 175.800 0.339 0.000 1.090 549 F CA 2.258 60.437 58.000 0.297 0.000 1.293 549 F CB -0.375 38.743 39.000 0.197 0.000 1.013 549 F HN 0.337 nan 8.300 nan 0.000 0.486 550 A N -0.223 122.742 122.820 0.242 0.000 2.019 550 A HA -0.222 4.097 4.320 -0.000 0.000 0.219 550 A C 2.284 179.880 177.584 0.020 0.000 1.164 550 A CA 1.675 53.792 52.037 0.134 0.000 0.644 550 A CB -0.789 18.304 19.000 0.155 0.000 0.805 550 A HN 0.459 nan 8.150 nan 0.000 0.449 551 K N -1.654 118.739 120.400 -0.012 0.000 2.097 551 K HA -0.152 4.168 4.320 -0.000 0.000 0.205 551 K C 1.651 178.021 176.600 -0.384 0.000 1.050 551 K CA 1.426 57.624 56.287 -0.148 0.000 0.938 551 K CB -0.296 32.118 32.500 -0.143 0.000 0.718 551 K HN 0.562 nan 8.250 nan 0.000 0.442 552 Y N -0.880 119.146 120.300 -0.457 0.000 2.163 552 Y HA -0.216 4.334 4.550 -0.000 0.000 0.288 552 Y C 1.892 176.820 175.900 -1.621 0.000 1.136 552 Y CA 1.506 58.988 58.100 -1.030 0.000 1.147 552 Y CB -0.249 37.630 38.460 -0.969 0.000 0.987 552 Y HN 0.158 nan 8.280 nan 0.000 0.509 553 W N 0.191 121.052 121.300 -0.731 0.000 2.402 553 W HA -0.161 4.499 4.660 -0.000 0.000 0.286 553 W C 2.613 178.958 176.519 -0.291 0.000 1.221 553 W CA 1.595 58.644 57.345 -0.494 0.000 1.257 553 W CB -0.541 28.720 29.460 -0.331 0.000 1.120 553 W HN 0.113 nan 8.180 nan 0.000 0.551 554 Q N 0.328 120.044 119.800 -0.139 0.000 2.079 554 Q HA -0.182 4.158 4.340 -0.000 0.000 0.200 554 Q C 2.324 178.266 176.000 -0.098 0.000 0.974 554 Q CA 1.965 57.728 55.803 -0.067 0.000 0.840 554 Q CB -0.355 28.354 28.738 -0.048 0.000 0.898 554 Q HN 0.204 nan 8.270 nan 0.000 0.430 555 A N 0.368 123.035 122.820 -0.254 0.000 1.877 555 A HA -0.169 4.151 4.320 -0.000 0.000 0.216 555 A C 1.723 179.268 177.584 -0.065 0.000 1.186 555 A CA 1.300 53.203 52.037 -0.223 0.000 0.620 555 A CB -0.903 17.834 19.000 -0.438 0.000 0.822 555 A HN 0.469 nan 8.150 nan 0.000 0.443 556 F N 0.149 119.928 119.950 -0.285 0.000 2.120 556 F HA -0.149 4.378 4.527 -0.000 0.000 0.300 556 F C 2.528 178.239 175.800 -0.148 0.000 1.095 556 F CA 1.359 59.164 58.000 -0.325 0.000 1.249 556 F CB -0.872 37.723 39.000 -0.675 0.000 0.995 556 F HN 0.192 nan 8.300 nan 0.000 0.480 557 R N -0.365 120.200 120.500 0.109 0.000 2.119 557 R HA -0.121 4.219 4.340 -0.000 0.000 0.222 557 R C 2.150 178.492 176.300 0.070 0.000 1.088 557 R CA 0.997 57.143 56.100 0.078 0.000 0.984 557 R CB -0.415 29.925 30.300 0.068 0.000 0.884 557 R HN 0.381 nan 8.270 nan 0.000 0.447 558 Q N -0.198 119.671 119.800 0.115 0.000 2.187 558 Q HA -0.053 4.287 4.340 -0.000 0.000 0.199 558 Q C -0.430 175.612 176.000 0.069 0.000 0.957 558 Q CA 0.878 56.742 55.803 0.101 0.000 0.857 558 Q CB 0.381 29.210 28.738 0.151 0.000 0.929 558 Q HN 0.184 nan 8.270 nan 0.000 0.453 559 Y N 0.373 120.659 120.300 -0.024 0.000 2.404 559 Y HA 0.243 4.793 4.550 -0.000 0.000 0.344 559 Y C -1.761 174.116 175.900 -0.037 0.000 0.970 559 Y CA -2.777 55.308 58.100 -0.025 0.000 1.180 559 Y CB 1.257 39.707 38.460 -0.017 0.000 1.138 559 Y HN 0.143 nan 8.280 nan 0.000 0.510 560 P HA -0.188 nan 4.420 nan 0.000 0.215 560 P C 1.138 178.441 177.300 0.004 0.000 1.157 560 P CA 1.931 65.032 63.100 0.002 0.000 0.874 560 P CB 0.293 31.978 31.700 -0.024 0.000 0.790 561 R N -1.165 119.355 120.500 0.034 0.000 2.316 561 R HA 0.075 4.415 4.340 -0.000 0.000 0.202 561 R C 0.407 176.692 176.300 -0.026 0.000 1.029 561 R CA 0.187 56.291 56.100 0.006 0.000 1.018 561 R CB -0.522 29.794 30.300 0.025 0.000 0.888 561 R HN 0.253 nan 8.270 nan 0.000 0.471 562 L N 1.877 123.101 121.223 0.002 0.000 2.282 562 L HA 0.150 4.490 4.340 -0.000 0.000 0.287 562 L C 0.390 177.119 176.870 -0.234 0.000 1.075 562 L CA 0.084 54.875 54.840 -0.081 0.000 0.839 562 L CB 1.214 43.296 42.059 0.038 0.000 1.219 562 L HN 0.061 nan 8.230 nan 0.000 0.434 563 Q N 2.931 122.514 119.800 -0.361 0.000 2.237 563 Q HA 0.319 4.659 4.340 -0.000 0.000 0.252 563 Q C 0.847 176.406 176.000 -0.735 0.000 0.877 563 Q CA 0.057 55.600 55.803 -0.432 0.000 1.011 563 Q CB 0.987 29.566 28.738 -0.266 0.000 1.118 563 Q HN 0.940 nan 8.270 nan 0.000 0.458 564 G N -0.266 107.664 108.800 -1.452 0.000 2.466 564 G HA2 0.046 4.006 3.960 -0.000 0.000 0.218 564 G HA3 0.046 4.006 3.960 -0.000 0.000 0.218 564 G C -0.154 173.872 174.900 -1.457 0.000 1.237 564 G CA -0.727 43.137 45.100 -2.061 0.000 0.954 564 G HN 0.671 nan 8.290 nan 0.000 0.580 565 G N -2.416 105.814 108.800 -0.949 0.000 2.320 565 G HA2 0.630 4.590 3.960 -0.000 0.000 0.296 565 G HA3 0.630 4.590 3.960 -0.000 0.000 0.296 565 G C -1.742 173.027 174.900 -0.218 0.000 1.306 565 G CA -0.174 44.581 45.100 -0.575 0.000 0.836 565 G HN 1.200 nan 8.290 nan 0.000 0.517 566 F N 0.679 120.832 119.950 0.337 0.000 2.427 566 F HA 0.538 5.065 4.527 -0.000 0.000 0.348 566 F C 0.822 176.924 175.800 0.503 0.000 1.125 566 F CA -0.785 57.472 58.000 0.428 0.000 0.989 566 F CB 1.985 41.133 39.000 0.247 0.000 1.165 566 F HN 0.254 nan 8.300 nan 0.000 0.442 567 V N 3.210 123.446 119.914 0.537 0.000 2.872 567 V HA -0.144 3.976 4.120 -0.000 0.000 0.307 567 V C -0.291 175.951 176.094 0.247 0.000 1.072 567 V CA -0.178 62.224 62.300 0.170 0.000 1.148 567 V CB 0.728 32.649 31.823 0.163 0.000 0.954 567 V HN 0.777 nan 8.190 nan 0.000 0.490 568 W N 6.307 127.655 121.300 0.079 0.000 2.336 568 W HA 0.461 5.121 4.660 -0.000 0.000 0.315 568 W C -0.941 175.554 176.519 -0.041 0.000 1.016 568 W CA -0.698 56.718 57.345 0.118 0.000 1.318 568 W CB 1.350 31.011 29.460 0.334 0.000 1.247 568 W HN 0.931 nan 8.180 nan 0.000 0.414 569 D N 2.424 122.528 120.400 -0.493 0.000 3.009 569 D HA 0.096 4.736 4.640 -0.000 0.000 0.318 569 D C 0.765 176.851 176.300 -0.358 0.000 1.273 569 D CA -0.503 53.111 54.000 -0.644 0.000 1.001 569 D CB 0.185 40.062 40.800 -1.540 0.000 1.411 569 D HN 0.374 nan 8.370 nan 0.000 0.577 570 W N 0.399 121.396 121.300 -0.505 0.000 2.413 570 W HA 0.144 4.804 4.660 -0.000 0.000 0.315 570 W C -0.060 176.241 176.519 -0.364 0.000 1.186 570 W CA 1.289 58.388 57.345 -0.409 0.000 1.326 570 W CB 0.336 29.575 29.460 -0.368 0.000 1.153 570 W HN 0.144 nan 8.180 nan 0.000 0.489 571 V N 2.586 122.234 119.914 -0.443 0.000 2.709 571 V HA 0.251 4.371 4.120 -0.000 0.000 0.308 571 V C -0.861 175.033 176.094 -0.333 0.000 1.062 571 V CA -0.827 61.174 62.300 -0.499 0.000 0.901 571 V CB 1.558 33.204 31.823 -0.295 0.000 1.003 571 V HN -0.101 nan 8.190 nan 0.000 0.425 572 D N 4.151 124.352 120.400 -0.332 0.000 2.493 572 D HA 0.098 4.737 4.640 -0.000 0.000 0.240 572 D C 0.268 176.444 176.300 -0.207 0.000 1.142 572 D CA 0.643 54.518 54.000 -0.208 0.000 0.872 572 D CB 0.929 41.683 40.800 -0.076 0.000 1.173 572 D HN 0.618 nan 8.370 nan 0.000 0.467 573 Q N 1.123 120.740 119.800 -0.305 0.000 3.122 573 Q HA 0.124 4.464 4.340 -0.000 0.000 0.360 573 Q C -0.090 175.873 176.000 -0.061 0.000 1.300 573 Q CA -0.306 55.106 55.803 -0.652 0.000 0.982 573 Q CB 0.081 28.529 28.738 -0.484 0.000 1.534 573 Q HN 0.348 nan 8.270 nan 0.000 0.474 574 S N -0.167 115.613 115.700 0.133 0.000 2.578 574 S HA 0.635 5.105 4.470 -0.000 0.000 0.283 574 S C -0.134 174.634 174.600 0.281 0.000 1.195 574 S CA -0.774 57.608 58.200 0.304 0.000 1.050 574 S CB 1.419 64.776 63.200 0.262 0.000 1.012 574 S HN 0.318 nan 8.310 nan 0.000 0.511 575 L N 1.897 123.210 121.223 0.149 0.000 2.330 575 L HA 0.573 4.913 4.340 -0.000 0.000 0.271 575 L C -0.303 176.467 176.870 -0.166 0.000 1.013 575 L CA -1.073 53.733 54.840 -0.057 0.000 0.816 575 L CB 1.478 43.394 42.059 -0.237 0.000 1.287 575 L HN 0.632 nan 8.230 nan 0.000 0.435 576 I N 2.131 122.547 120.570 -0.257 0.000 2.395 576 I HA 0.248 4.418 4.170 -0.000 0.000 0.289 576 I C -0.058 175.654 176.117 -0.675 0.000 1.023 576 I CA -0.127 60.883 61.300 -0.483 0.000 1.350 576 I CB 0.887 38.626 38.000 -0.436 0.000 1.409 576 I HN 0.537 nan 8.210 nan 0.000 0.507 577 K N 5.240 124.949 120.400 -1.152 0.000 2.400 577 K HA 0.604 4.924 4.320 -0.000 0.000 0.246 577 K C -1.690 174.111 176.600 -1.331 0.000 0.995 577 K CA -0.825 54.748 56.287 -1.190 0.000 0.840 577 K CB 2.408 33.933 32.500 -1.624 0.000 1.293 577 K HN 0.250 nan 8.250 nan 0.000 0.445 578 Y N 0.536 120.600 120.300 -0.393 0.000 2.446 578 Y HA 0.176 4.726 4.550 -0.000 0.000 0.345 578 Y C -0.001 176.010 175.900 0.185 0.000 0.984 578 Y CA -1.208 56.844 58.100 -0.079 0.000 1.058 578 Y CB 1.241 39.668 38.460 -0.055 0.000 1.220 578 Y HN 0.664 nan 8.280 nan 0.000 0.455 579 D N -0.405 120.258 120.400 0.439 0.000 2.451 579 D HA 0.124 4.764 4.640 -0.000 0.000 0.259 579 D C 0.505 176.915 176.300 0.185 0.000 1.201 579 D CA -0.481 53.705 54.000 0.311 0.000 1.028 579 D CB 0.624 41.542 40.800 0.197 0.000 1.095 579 D HN 0.649 nan 8.370 nan 0.000 0.539 580 E N -0.891 119.376 120.200 0.112 0.000 2.219 580 E HA -0.186 4.164 4.350 -0.000 0.000 0.198 580 E C 0.825 177.463 176.600 0.063 0.000 0.998 580 E CA 0.893 57.335 56.400 0.069 0.000 0.818 580 E CB -0.234 29.489 29.700 0.039 0.000 0.741 580 E HN 0.364 nan 8.360 nan 0.000 0.477 581 N N -0.232 118.514 118.700 0.076 0.000 2.383 581 N HA -0.001 4.739 4.740 -0.000 0.000 0.192 581 N C 0.965 176.525 175.510 0.082 0.000 1.141 581 N CA 0.847 53.936 53.050 0.065 0.000 0.851 581 N CB 1.091 39.615 38.487 0.061 0.000 0.976 581 N HN 0.290 nan 8.380 nan 0.000 0.465 582 G N 1.019 109.886 108.800 0.112 0.000 2.189 582 G HA2 -0.306 3.654 3.960 -0.000 0.000 0.267 582 G HA3 -0.306 3.654 3.960 -0.000 0.000 0.267 582 G C -0.080 174.963 174.900 0.238 0.000 0.975 582 G CA -0.045 45.129 45.100 0.123 0.000 0.644 582 G HN 0.449 nan 8.290 nan 0.000 0.537 583 N N 2.367 121.200 118.700 0.222 0.000 2.497 583 N HA 0.431 5.171 4.740 -0.000 0.000 0.271 583 N C -2.368 173.285 175.510 0.238 0.000 1.142 583 N CA -1.020 52.158 53.050 0.213 0.000 0.965 583 N CB 1.374 39.956 38.487 0.158 0.000 1.077 583 N HN 0.201 nan 8.380 nan 0.000 0.462 584 P HA 0.187 nan 4.420 nan 0.000 0.284 584 P C -0.976 176.268 177.300 -0.093 0.000 1.253 584 P CA -0.354 62.598 63.100 -0.247 0.000 0.800 584 P CB 0.706 32.237 31.700 -0.281 0.000 0.961 585 W N 0.072 121.132 121.300 -0.401 0.000 3.107 585 W HA 0.430 5.090 4.660 -0.000 0.000 0.331 585 W C -1.386 174.943 176.519 -0.317 0.000 1.204 585 W CA -1.121 55.996 57.345 -0.379 0.000 1.184 585 W CB 0.438 29.458 29.460 -0.733 0.000 1.421 585 W HN 0.129 nan 8.180 nan 0.000 0.544 586 S N 1.607 117.346 115.700 0.064 0.000 2.505 586 S HA 0.572 5.042 4.470 -0.000 0.000 0.276 586 S C 0.194 174.920 174.600 0.211 0.000 1.274 586 S CA -0.183 58.053 58.200 0.060 0.000 1.053 586 S CB 0.876 64.177 63.200 0.169 0.000 0.919 586 S HN 0.607 nan 8.310 nan 0.000 0.490 587 A N 2.815 125.635 122.820 0.001 0.000 2.330 587 A HA 0.920 5.240 4.320 -0.000 0.000 0.329 587 A C -0.786 177.020 177.584 0.370 0.000 1.135 587 A CA -0.747 51.342 52.037 0.088 0.000 0.817 587 A CB 0.786 19.549 19.000 -0.396 0.000 1.269 587 A HN 0.845 nan 8.150 nan 0.000 0.469 588 Y N -1.228 119.379 120.300 0.512 0.000 3.068 588 Y HA 0.757 5.307 4.550 -0.000 0.000 0.302 588 Y C 0.651 176.898 175.900 0.578 0.000 1.610 588 Y CA -1.415 56.997 58.100 0.521 0.000 1.078 588 Y CB -0.120 38.466 38.460 0.211 0.000 1.418 588 Y HN 0.968 nan 8.280 nan 0.000 0.525 589 G N -0.034 109.140 108.800 0.622 0.000 2.224 589 G HA2 0.368 4.327 3.960 -0.000 0.000 0.239 589 G HA3 0.368 4.327 3.960 -0.000 0.000 0.239 589 G C 0.975 176.207 174.900 0.553 0.000 1.240 589 G CA 0.556 45.959 45.100 0.505 0.000 0.896 589 G HN 2.004 nan 8.290 nan 0.000 0.496 590 G N 2.224 111.311 108.800 0.477 0.000 2.241 590 G HA2 -0.274 3.686 3.960 -0.000 0.000 0.244 590 G HA3 -0.274 3.686 3.960 -0.000 0.000 0.244 590 G C 0.874 175.965 174.900 0.317 0.000 0.998 590 G CA 0.637 45.955 45.100 0.363 0.000 0.621 590 G HN 0.644 nan 8.290 nan 0.000 0.519 591 D N -0.216 120.380 120.400 0.327 0.000 2.378 591 D HA 0.151 4.791 4.640 -0.000 0.000 0.227 591 D C 1.165 177.355 176.300 -0.184 0.000 1.012 591 D CA 0.486 54.523 54.000 0.061 0.000 0.905 591 D CB -0.163 40.609 40.800 -0.046 0.000 0.895 591 D HN 0.478 nan 8.370 nan 0.000 0.532 592 F N -0.725 119.355 119.950 0.216 0.000 2.698 592 F HA 0.306 4.833 4.527 -0.000 0.000 0.304 592 F C 1.781 177.669 175.800 0.147 0.000 1.108 592 F CA -0.272 57.817 58.000 0.147 0.000 1.263 592 F CB 0.786 39.869 39.000 0.138 0.000 1.013 592 F HN -0.055 nan 8.300 nan 0.000 0.532 593 G N 0.362 109.321 108.800 0.265 0.000 2.184 593 G HA2 -0.304 3.656 3.960 -0.000 0.000 0.264 593 G HA3 -0.304 3.656 3.960 -0.000 0.000 0.264 593 G C -0.073 174.962 174.900 0.224 0.000 0.975 593 G CA 0.262 45.484 45.100 0.203 0.000 0.642 593 G HN 0.444 nan 8.290 nan 0.000 0.536 594 D N 0.620 121.202 120.400 0.305 0.000 2.434 594 D HA 0.448 5.088 4.640 -0.000 0.000 0.252 594 D C 0.085 176.506 176.300 0.202 0.000 1.185 594 D CA 1.089 55.255 54.000 0.276 0.000 0.886 594 D CB 1.387 42.409 40.800 0.370 0.000 1.148 594 D HN 0.307 nan 8.370 nan 0.000 0.483 595 T N 1.635 116.276 114.554 0.146 0.000 2.982 595 T HA 0.404 4.754 4.350 -0.000 0.000 0.321 595 T C -2.671 172.064 174.700 0.060 0.000 1.229 595 T CA -1.137 61.019 62.100 0.094 0.000 1.044 595 T CB 1.451 70.374 68.868 0.092 0.000 1.184 595 T HN 0.385 nan 8.240 nan 0.000 0.477 596 P HA 0.466 nan 4.420 nan 0.000 0.272 596 P C -1.091 176.195 177.300 -0.025 0.000 1.240 596 P CA -0.371 62.726 63.100 -0.006 0.000 0.791 596 P CB 0.538 32.212 31.700 -0.044 0.000 0.978 597 N N -1.739 116.940 118.700 -0.035 0.000 2.732 597 N HA 0.238 4.978 4.740 -0.000 0.000 0.259 597 N C -0.980 174.465 175.510 -0.109 0.000 1.402 597 N CA -0.777 52.230 53.050 -0.072 0.000 0.829 597 N CB 0.703 39.239 38.487 0.082 0.000 1.495 597 N HN 0.124 nan 8.380 nan 0.000 0.511 598 D N -0.194 120.092 120.400 -0.189 0.000 2.643 598 D HA 0.133 4.773 4.640 -0.000 0.000 0.244 598 D C 0.503 176.957 176.300 0.256 0.000 1.257 598 D CA -0.162 53.776 54.000 -0.105 0.000 0.831 598 D CB 0.165 40.747 40.800 -0.363 0.000 1.043 598 D HN 0.689 nan 8.370 nan 0.000 0.488 599 R N 0.967 121.637 120.500 0.283 0.000 3.667 599 R HA -0.339 4.001 4.340 -0.000 0.000 0.512 599 R C 1.312 177.623 176.300 0.018 0.000 0.242 599 R CA 1.696 57.968 56.100 0.288 0.000 1.587 599 R CB -1.647 28.747 30.300 0.158 0.000 0.889 599 R HN 0.188 nan 8.270 nan 0.000 0.605 600 Q N 1.613 121.151 119.800 -0.437 0.000 2.444 600 Q HA 0.007 4.347 4.340 -0.000 0.000 0.206 600 Q C 1.598 177.409 176.000 -0.314 0.000 0.948 600 Q CA 1.200 56.575 55.803 -0.714 0.000 0.946 600 Q CB 0.027 28.151 28.738 -1.024 0.000 1.027 600 Q HN 0.607 nan 8.270 nan 0.000 0.513 601 F N 1.616 121.465 119.950 -0.169 0.000 2.722 601 F HA -0.069 4.458 4.527 -0.000 0.000 0.298 601 F C 1.942 177.710 175.800 -0.054 0.000 1.175 601 F CA 0.714 58.708 58.000 -0.010 0.000 1.462 601 F CB -0.188 38.871 39.000 0.099 0.000 1.111 601 F HN 0.417 nan 8.300 nan 0.000 0.592 602 C N -1.601 117.476 119.300 -0.371 0.000 2.697 602 C HA 0.322 4.782 4.460 -0.000 0.000 0.267 602 C C 0.874 175.691 174.990 -0.289 0.000 1.278 602 C CA -0.522 58.113 59.018 -0.639 0.000 1.708 602 C CB -1.623 25.159 27.740 -1.596 0.000 1.860 602 C HN 0.157 nan 8.230 nan 0.000 0.589 603 M N 2.753 122.234 119.600 -0.198 0.000 2.023 603 M HA 0.305 4.785 4.480 -0.000 0.000 0.325 603 M C -0.741 175.474 176.300 -0.141 0.000 0.963 603 M CA 0.301 55.518 55.300 -0.138 0.000 0.928 603 M CB 0.256 32.813 32.600 -0.070 0.000 1.429 603 M HN 0.361 nan 8.290 nan 0.000 0.404 604 N N 0.682 119.283 118.700 -0.166 0.000 2.390 604 N HA 0.231 4.971 4.740 -0.000 0.000 0.259 604 N C 0.155 175.475 175.510 -0.316 0.000 1.395 604 N CA -0.549 52.360 53.050 -0.235 0.000 0.852 604 N CB 1.153 39.489 38.487 -0.251 0.000 1.371 604 N HN 0.639 nan 8.380 nan 0.000 0.491 605 G N -0.121 108.458 108.800 -0.367 0.000 2.504 605 G HA2 0.389 4.349 3.960 -0.000 0.000 0.288 605 G HA3 0.389 4.349 3.960 -0.000 0.000 0.288 605 G C 0.652 175.160 174.900 -0.654 0.000 1.182 605 G CA -0.610 44.174 45.100 -0.527 0.000 0.894 605 G HN 0.140 nan 8.290 nan 0.000 0.521 606 L N -0.118 120.702 121.223 -0.672 0.000 2.313 606 L HA 0.121 4.461 4.340 -0.000 0.000 0.214 606 L C 0.873 177.215 176.870 -0.880 0.000 1.119 606 L CA 0.368 54.847 54.840 -0.602 0.000 0.809 606 L CB -0.269 41.541 42.059 -0.415 0.000 0.933 606 L HN 0.391 nan 8.230 nan 0.000 0.449 607 V N -4.961 114.264 119.914 -1.149 0.000 2.914 607 V HA 0.471 4.591 4.120 -0.000 0.000 0.314 607 V C -0.223 175.304 176.094 -0.945 0.000 1.084 607 V CA -1.260 60.445 62.300 -0.992 0.000 0.963 607 V CB 1.616 32.899 31.823 -0.901 0.000 1.025 607 V HN -0.140 nan 8.190 nan 0.000 0.432 608 F N 1.647 121.319 119.950 -0.464 0.000 2.480 608 F HA 0.538 5.065 4.527 -0.000 0.000 0.319 608 F C 1.984 177.662 175.800 -0.203 0.000 1.230 608 F CA 0.647 58.529 58.000 -0.196 0.000 1.285 608 F CB 0.823 39.815 39.000 -0.014 0.000 1.208 608 F HN 0.785 nan 8.300 nan 0.000 0.579 609 A N 0.751 123.644 122.820 0.121 0.000 1.986 609 A HA -0.221 4.099 4.320 -0.000 0.000 0.220 609 A C 1.620 179.176 177.584 -0.047 0.000 1.171 609 A CA 1.934 53.998 52.037 0.046 0.000 0.640 609 A CB -0.932 18.134 19.000 0.111 0.000 0.811 609 A HN 0.782 nan 8.150 nan 0.000 0.451 610 D N -2.597 117.792 120.400 -0.019 0.000 2.336 610 D HA 0.131 4.771 4.640 -0.000 0.000 0.228 610 D C 0.473 176.754 176.300 -0.031 0.000 1.120 610 D CA -0.117 53.843 54.000 -0.067 0.000 0.839 610 D CB -0.176 40.589 40.800 -0.059 0.000 0.932 610 D HN 0.159 nan 8.370 nan 0.000 0.509 611 R N -1.321 119.156 120.500 -0.039 0.000 3.989 611 R HA -0.130 4.210 4.340 -0.000 0.000 0.377 611 R C -0.346 175.945 176.300 -0.016 0.000 1.158 611 R CA 1.026 57.094 56.100 -0.053 0.000 1.035 611 R CB -3.229 27.085 30.300 0.024 0.000 1.557 611 R HN 0.244 nan 8.270 nan 0.000 0.551 612 T N 2.045 116.637 114.554 0.064 0.000 2.851 612 T HA 0.347 4.697 4.350 -0.000 0.000 0.298 612 T C -2.301 172.492 174.700 0.156 0.000 0.977 612 T CA -0.909 61.268 62.100 0.129 0.000 1.126 612 T CB 1.127 70.089 68.868 0.155 0.000 0.916 612 T HN -0.096 nan 8.240 nan 0.000 0.529 613 P HA 0.155 nan 4.420 nan 0.000 0.271 613 P C -0.143 177.197 177.300 0.066 0.000 1.216 613 P CA -0.150 62.942 63.100 -0.012 0.000 0.771 613 P CB 0.362 32.070 31.700 0.014 0.000 0.864 614 H N 3.461 122.369 119.070 -0.269 0.000 2.505 614 H HA 0.105 4.661 4.556 -0.000 0.000 0.355 614 H C -1.286 173.941 175.328 -0.168 0.000 1.179 614 H CA -1.923 53.929 56.048 -0.327 0.000 1.343 614 H CB 0.618 30.136 29.762 -0.407 0.000 1.501 614 H HN 0.359 nan 8.280 nan 0.000 0.569 615 P HA -0.190 nan 4.420 nan 0.000 0.217 615 P C 1.116 178.411 177.300 -0.008 0.000 1.148 615 P CA 1.567 64.648 63.100 -0.032 0.000 0.828 615 P CB 0.090 31.762 31.700 -0.046 0.000 0.783 616 A N -0.647 122.171 122.820 -0.004 0.000 2.024 616 A HA -0.196 4.124 4.320 -0.000 0.000 0.220 616 A C 2.061 179.599 177.584 -0.076 0.000 1.164 616 A CA 1.281 53.286 52.037 -0.053 0.000 0.643 616 A CB -1.599 17.351 19.000 -0.084 0.000 0.806 616 A HN 0.163 nan 8.150 nan 0.000 0.451 617 L N -0.464 120.734 121.223 -0.041 0.000 2.042 617 L HA -0.142 4.198 4.340 -0.000 0.000 0.210 617 L C 2.520 179.432 176.870 0.071 0.000 1.076 617 L CA 2.786 57.633 54.840 0.012 0.000 0.749 617 L CB -1.086 40.980 42.059 0.011 0.000 0.893 617 L HN 0.389 nan 8.230 nan 0.000 0.432 618 T N -1.764 112.838 114.554 0.080 0.000 2.867 618 T HA -0.189 4.161 4.350 -0.000 0.000 0.268 618 T C 1.799 176.608 174.700 0.182 0.000 1.057 618 T CA 1.395 63.596 62.100 0.169 0.000 1.136 618 T CB -0.124 68.826 68.868 0.136 0.000 0.874 618 T HN 0.498 nan 8.240 nan 0.000 0.466 619 E N 0.761 121.008 120.200 0.078 0.000 2.072 619 E HA 0.091 4.441 4.350 -0.000 0.000 0.191 619 E C 2.175 178.795 176.600 0.034 0.000 0.985 619 E CA 1.330 57.781 56.400 0.084 0.000 0.801 619 E CB -0.614 29.104 29.700 0.030 0.000 0.750 619 E HN 0.527 nan 8.360 nan 0.000 0.452 620 A N 1.047 123.776 122.820 -0.151 0.000 1.902 620 A HA -0.208 4.112 4.320 -0.000 0.000 0.217 620 A C 2.170 179.635 177.584 -0.200 0.000 1.181 620 A CA 1.865 53.757 52.037 -0.242 0.000 0.623 620 A CB -0.625 18.195 19.000 -0.302 0.000 0.818 620 A HN 0.269 nan 8.150 nan 0.000 0.443 621 K N -1.193 119.159 120.400 -0.079 0.000 2.032 621 K HA -0.290 4.030 4.320 -0.000 0.000 0.209 621 K C 2.054 178.540 176.600 -0.189 0.000 1.048 621 K CA 2.029 58.279 56.287 -0.062 0.000 0.927 621 K CB -0.359 32.255 32.500 0.191 0.000 0.712 621 K HN 0.636 nan 8.250 nan 0.000 0.441 622 H N 0.319 119.206 119.070 -0.305 0.000 2.321 622 H HA -0.030 4.526 4.556 -0.000 0.000 0.300 622 H C 1.910 176.962 175.328 -0.459 0.000 1.087 622 H CA 1.833 57.513 56.048 -0.614 0.000 1.319 622 H CB 0.121 29.554 29.762 -0.548 0.000 1.379 622 H HN 0.238 nan 8.280 nan 0.000 0.501 623 Q N 0.109 119.664 119.800 -0.407 0.000 2.297 623 Q HA -0.055 4.285 4.340 -0.000 0.000 0.204 623 Q C 1.458 176.908 176.000 -0.916 0.000 0.962 623 Q CA 0.981 56.465 55.803 -0.531 0.000 0.879 623 Q CB 0.163 28.740 28.738 -0.268 0.000 0.947 623 Q HN 0.696 nan 8.270 nan 0.000 0.462 624 Q N 0.051 119.281 119.800 -0.950 0.000 2.320 624 Q HA 0.082 4.422 4.340 -0.000 0.000 0.201 624 Q C -0.140 175.300 176.000 -0.933 0.000 0.910 624 Q CA -0.207 54.882 55.803 -1.190 0.000 0.946 624 Q CB 0.439 28.532 28.738 -1.075 0.000 1.062 624 Q HN 0.383 nan 8.270 nan 0.000 0.503 625 Q N -0.462 118.940 119.800 -0.663 0.000 2.414 625 Q HA -0.054 4.286 4.340 -0.000 0.000 0.288 625 Q C -0.150 175.504 176.000 -0.577 0.000 1.086 625 Q CA 0.451 56.001 55.803 -0.421 0.000 0.943 625 Q CB 0.424 28.995 28.738 -0.278 0.000 1.282 625 Q HN 0.289 nan 8.270 nan 0.000 0.438 626 F N 0.116 119.816 119.950 -0.416 0.000 2.727 626 F HA 0.242 4.769 4.527 -0.000 0.000 0.302 626 F C -0.182 175.052 175.800 -0.944 0.000 1.097 626 F CA -0.037 57.478 58.000 -0.807 0.000 1.330 626 F CB 0.526 38.702 39.000 -1.373 0.000 1.084 626 F HN 0.296 nan 8.300 nan 0.000 0.578 627 F N 0.344 120.204 119.950 -0.150 0.000 2.540 627 F HA 0.504 5.031 4.527 -0.000 0.000 0.317 627 F C -0.085 175.384 175.800 -0.552 0.000 1.104 627 F CA -1.082 56.725 58.000 -0.322 0.000 0.913 627 F CB 1.352 40.184 39.000 -0.280 0.000 1.170 627 F HN -0.324 nan 8.300 nan 0.000 0.450 628 Q N 2.937 122.482 119.800 -0.426 0.000 2.306 628 Q HA 0.591 4.931 4.340 -0.000 0.000 0.265 628 Q C -1.334 174.380 176.000 -0.477 0.000 1.022 628 Q CA -0.672 54.931 55.803 -0.333 0.000 0.853 628 Q CB 2.840 31.504 28.738 -0.123 0.000 1.327 628 Q HN 0.514 nan 8.270 nan 0.000 0.449 629 F N 0.014 120.097 119.950 0.223 0.000 2.588 629 F HA 0.633 5.160 4.527 -0.000 0.000 0.314 629 F C 0.283 176.323 175.800 0.400 0.000 1.069 629 F CA -0.888 57.319 58.000 0.346 0.000 0.931 629 F CB 1.855 41.218 39.000 0.605 0.000 1.260 629 F HN 0.142 nan 8.300 nan 0.000 0.465 630 R N 1.397 122.167 120.500 0.451 0.000 2.698 630 R HA 0.725 5.065 4.340 -0.000 0.000 0.275 630 R C -2.056 174.228 176.300 -0.026 0.000 1.001 630 R CA -1.183 55.084 56.100 0.279 0.000 0.896 630 R CB 3.055 33.444 30.300 0.148 0.000 1.218 630 R HN 0.585 nan 8.270 nan 0.000 0.462 631 L N 0.570 121.657 121.223 -0.228 0.000 2.365 631 L HA 0.620 4.960 4.340 -0.000 0.000 0.273 631 L C -1.087 175.622 176.870 -0.268 0.000 1.000 631 L CA -0.032 54.495 54.840 -0.523 0.000 0.819 631 L CB 2.210 43.539 42.059 -1.216 0.000 1.284 631 L HN 0.582 nan 8.230 nan 0.000 0.418 632 S N 3.527 119.091 115.700 -0.226 0.000 2.706 632 S HA 0.682 5.152 4.470 -0.000 0.000 0.270 632 S C 0.132 174.646 174.600 -0.143 0.000 1.163 632 S CA 0.280 58.395 58.200 -0.141 0.000 1.042 632 S CB 0.274 63.421 63.200 -0.089 0.000 1.079 632 S HN 1.744 nan 8.310 nan 0.000 0.474 633 G N 4.589 113.310 108.800 -0.132 0.000 2.565 633 G HA2 -0.260 3.700 3.960 -0.000 0.000 0.295 633 G HA3 -0.260 3.700 3.960 -0.000 0.000 0.295 633 G C 0.169 174.975 174.900 -0.157 0.000 1.165 633 G CA 0.559 45.586 45.100 -0.120 0.000 0.977 633 G HN 0.681 nan 8.290 nan 0.000 0.546 634 Q N 1.176 120.885 119.800 -0.153 0.000 2.198 634 Q HA 0.264 4.604 4.340 -0.000 0.000 0.209 634 Q C 0.398 176.272 176.000 -0.210 0.000 0.848 634 Q CA 0.607 56.297 55.803 -0.190 0.000 0.974 634 Q CB 0.763 29.404 28.738 -0.161 0.000 1.115 634 Q HN 0.499 nan 8.270 nan 0.000 0.494 635 T N 1.493 115.934 114.554 -0.187 0.000 2.767 635 T HA 0.540 4.890 4.350 -0.000 0.000 0.284 635 T C 0.248 174.830 174.700 -0.198 0.000 0.973 635 T CA -0.258 61.743 62.100 -0.166 0.000 0.996 635 T CB 1.069 69.870 68.868 -0.111 0.000 0.927 635 T HN 0.026 nan 8.240 nan 0.000 0.456 636 I N 2.938 123.404 120.570 -0.173 0.000 2.339 636 I HA 0.309 4.479 4.170 -0.000 0.000 0.290 636 I C 0.498 176.603 176.117 -0.020 0.000 0.994 636 I CA -0.620 60.592 61.300 -0.147 0.000 1.191 636 I CB 1.367 39.298 38.000 -0.115 0.000 1.343 636 I HN 0.565 nan 8.210 nan 0.000 0.458 637 E N 6.709 126.920 120.200 0.019 0.000 2.109 637 E HA 0.401 4.751 4.350 -0.000 0.000 0.278 637 E C -1.456 175.208 176.600 0.107 0.000 0.954 637 E CA -0.575 55.855 56.400 0.051 0.000 0.779 637 E CB 1.512 31.231 29.700 0.032 0.000 1.093 637 E HN 0.347 nan 8.360 nan 0.000 0.401 638 V N 4.359 124.319 119.914 0.077 0.000 2.398 638 V HA 0.298 4.418 4.120 -0.000 0.000 0.286 638 V C -0.012 176.076 176.094 -0.009 0.000 1.026 638 V CA -0.512 61.792 62.300 0.007 0.000 0.868 638 V CB 1.697 33.546 31.823 0.042 0.000 0.982 638 V HN 0.706 nan 8.190 nan 0.000 0.443 639 T N 3.401 117.916 114.554 -0.066 0.000 2.807 639 T HA 0.338 4.688 4.350 -0.000 0.000 0.279 639 T C -0.064 174.629 174.700 -0.013 0.000 0.993 639 T CA -0.249 61.836 62.100 -0.026 0.000 0.970 639 T CB 1.541 70.381 68.868 -0.046 0.000 0.950 639 T HN 0.683 nan 8.240 nan 0.000 0.441 640 S N 1.929 117.639 115.700 0.017 0.000 2.525 640 S HA 0.228 4.698 4.470 -0.000 0.000 0.278 640 S C 0.705 175.196 174.600 -0.181 0.000 1.234 640 S CA -0.545 57.614 58.200 -0.068 0.000 1.058 640 S CB 0.556 63.792 63.200 0.059 0.000 0.983 640 S HN 0.716 nan 8.310 nan 0.000 0.495 641 E N 3.074 123.059 120.200 -0.357 0.000 2.501 641 E HA 0.099 4.449 4.350 -0.000 0.000 0.200 641 E C -0.855 175.571 176.600 -0.290 0.000 1.016 641 E CA -0.101 56.122 56.400 -0.295 0.000 0.921 641 E CB 0.340 29.845 29.700 -0.324 0.000 1.034 641 E HN 0.689 nan 8.360 nan 0.000 0.468 642 Y N 0.399 120.597 120.300 -0.170 0.000 2.346 642 Y HA 0.055 4.605 4.550 -0.000 0.000 0.330 642 Y C 1.426 177.174 175.900 -0.253 0.000 1.178 642 Y CA -0.139 57.856 58.100 -0.175 0.000 1.331 642 Y CB 0.871 39.207 38.460 -0.207 0.000 1.253 642 Y HN -0.023 nan 8.280 nan 0.000 0.529 643 L N 1.605 122.665 121.223 -0.271 0.000 2.408 643 L HA 0.050 4.390 4.340 -0.000 0.000 0.215 643 L C 0.628 176.986 176.870 -0.854 0.000 1.081 643 L CA 0.668 55.086 54.840 -0.703 0.000 0.840 643 L CB 0.010 41.367 42.059 -1.169 0.000 1.002 643 L HN 0.648 nan 8.230 nan 0.000 0.468 644 F N -0.528 119.446 119.950 0.040 0.000 2.581 644 F HA 0.205 4.732 4.527 -0.000 0.000 0.278 644 F C 1.377 177.171 175.800 -0.011 0.000 1.000 644 F CA -0.800 57.196 58.000 -0.008 0.000 1.230 644 F CB 0.157 39.129 39.000 -0.047 0.000 1.008 644 F HN -0.165 nan 8.300 nan 0.000 0.695 645 R N 0.575 121.132 120.500 0.095 0.000 2.528 645 R HA 0.386 4.726 4.340 -0.000 0.000 0.271 645 R C -0.966 175.346 176.300 0.020 0.000 1.056 645 R CA -0.568 55.529 56.100 -0.005 0.000 1.117 645 R CB 0.632 30.816 30.300 -0.192 0.000 1.085 645 R HN 0.105 nan 8.270 nan 0.000 0.530 646 H N 0.153 119.207 119.070 -0.028 0.000 2.488 646 H HA 0.136 4.692 4.556 -0.000 0.000 0.347 646 H C -0.166 175.180 175.328 0.030 0.000 1.174 646 H CA -0.085 55.981 56.048 0.029 0.000 1.307 646 H CB 1.360 31.142 29.762 0.033 0.000 1.517 646 H HN 0.744 nan 8.280 nan 0.000 0.554 647 S N 1.757 117.338 115.700 -0.198 0.000 4.175 647 S HA -0.026 4.444 4.470 -0.000 0.000 0.193 647 S C 0.110 174.774 174.600 0.107 0.000 1.373 647 S CA -0.161 58.073 58.200 0.055 0.000 0.908 647 S CB -0.890 62.370 63.200 0.100 0.000 1.547 647 S HN 0.715 nan 8.310 nan 0.000 0.440 648 D N 0.696 121.177 120.400 0.136 0.000 2.349 648 D HA -0.003 4.637 4.640 -0.000 0.000 0.224 648 D C 0.469 176.818 176.300 0.083 0.000 1.029 648 D CA 0.066 54.151 54.000 0.141 0.000 0.879 648 D CB -0.253 40.612 40.800 0.109 0.000 0.906 648 D HN 0.523 nan 8.370 nan 0.000 0.528 649 N N -0.196 118.550 118.700 0.076 0.000 2.620 649 N HA 0.138 4.878 4.740 -0.000 0.000 0.277 649 N C -1.670 173.888 175.510 0.079 0.000 1.726 649 N CA -0.256 52.831 53.050 0.061 0.000 0.840 649 N CB 0.294 38.804 38.487 0.038 0.000 1.379 649 N HN -0.066 nan 8.380 nan 0.000 0.506 650 E N -0.001 120.240 120.200 0.068 0.000 2.308 650 E HA 0.514 4.863 4.350 -0.000 0.000 0.275 650 E C -1.722 174.891 176.600 0.021 0.000 0.890 650 E CA -0.642 55.780 56.400 0.036 0.000 0.754 650 E CB 2.466 32.151 29.700 -0.025 0.000 1.207 650 E HN 0.207 nan 8.360 nan 0.000 0.426 651 L N 3.119 124.356 121.223 0.023 0.000 2.385 651 L HA 0.578 4.918 4.340 -0.000 0.000 0.273 651 L C -1.875 175.047 176.870 0.086 0.000 0.990 651 L CA -0.890 53.998 54.840 0.080 0.000 0.821 651 L CB 1.578 43.720 42.059 0.139 0.000 1.279 651 L HN 0.579 nan 8.230 nan 0.000 0.412 652 L N 5.114 126.439 121.223 0.170 0.000 2.257 652 L HA 0.471 4.811 4.340 -0.000 0.000 0.290 652 L C -0.780 176.324 176.870 0.389 0.000 1.044 652 L CA 0.245 55.218 54.840 0.222 0.000 0.810 652 L CB 0.473 42.665 42.059 0.221 0.000 1.193 652 L HN 0.630 nan 8.230 nan 0.000 0.425 653 H N 5.590 124.740 119.070 0.133 0.000 2.458 653 H HA 0.404 4.960 4.556 -0.000 0.000 0.330 653 H C -1.123 174.304 175.328 0.165 0.000 1.111 653 H CA -0.787 55.303 56.048 0.071 0.000 1.245 653 H CB 1.011 30.777 29.762 0.005 0.000 1.456 653 H HN 0.691 nan 8.280 nan 0.000 0.488 654 W N 3.300 124.692 121.300 0.154 0.000 2.864 654 W HA 0.582 5.242 4.660 -0.000 0.000 0.343 654 W C -1.765 174.808 176.519 0.090 0.000 1.109 654 W CA -1.296 56.121 57.345 0.120 0.000 1.192 654 W CB 1.480 30.997 29.460 0.094 0.000 1.426 654 W HN 0.425 nan 8.180 nan 0.000 0.529 655 M N 3.177 122.984 119.600 0.346 0.000 2.322 655 M HA 0.524 5.004 4.480 -0.000 0.000 0.286 655 M C -2.427 174.062 176.300 0.315 0.000 1.111 655 M CA -0.468 54.932 55.300 0.167 0.000 0.941 655 M CB 2.044 34.670 32.600 0.044 0.000 1.671 655 M HN 0.219 nan 8.290 nan 0.000 0.470 656 V N 4.093 124.184 119.914 0.295 0.000 2.417 656 V HA 0.994 5.114 4.120 -0.000 0.000 0.291 656 V C -0.437 175.766 176.094 0.183 0.000 1.024 656 V CA -0.338 62.130 62.300 0.279 0.000 0.861 656 V CB 1.204 33.204 31.823 0.296 0.000 0.985 656 V HN 1.010 nan 8.190 nan 0.000 0.436 657 A N 4.737 127.677 122.820 0.199 0.000 2.422 657 A HA 0.842 5.162 4.320 -0.000 0.000 0.302 657 A C -1.304 176.399 177.584 0.198 0.000 1.041 657 A CA -0.615 51.506 52.037 0.140 0.000 0.708 657 A CB 1.600 20.639 19.000 0.065 0.000 1.257 657 A HN 0.830 nan 8.150 nan 0.000 0.414 658 L N 2.023 123.330 121.223 0.140 0.000 2.255 658 L HA 0.438 4.777 4.340 -0.000 0.000 0.289 658 L C -0.358 176.602 176.870 0.151 0.000 1.046 658 L CA 0.351 55.287 54.840 0.160 0.000 0.816 658 L CB 0.069 42.190 42.059 0.103 0.000 1.197 658 L HN 0.765 nan 8.230 nan 0.000 0.427 659 D N 5.023 125.575 120.400 0.254 0.000 2.704 659 D HA -0.226 4.414 4.640 -0.000 0.000 0.232 659 D C 1.181 177.490 176.300 0.015 0.000 1.183 659 D CA 1.371 55.502 54.000 0.217 0.000 0.647 659 D CB -0.905 39.996 40.800 0.169 0.000 1.013 659 D HN 1.162 nan 8.370 nan 0.000 0.415 660 G N -0.456 108.307 108.800 -0.062 0.000 2.253 660 G HA2 -0.376 3.584 3.960 -0.000 0.000 0.251 660 G HA3 -0.376 3.584 3.960 -0.000 0.000 0.251 660 G C 0.340 175.144 174.900 -0.161 0.000 0.998 660 G CA 0.529 45.489 45.100 -0.233 0.000 0.621 660 G HN 0.479 nan 8.290 nan 0.000 0.524 661 K N 2.713 123.072 120.400 -0.068 0.000 2.284 661 K HA 0.412 4.732 4.320 -0.000 0.000 0.287 661 K C -2.298 174.287 176.600 -0.025 0.000 1.081 661 K CA -1.559 54.696 56.287 -0.052 0.000 0.910 661 K CB 1.476 33.963 32.500 -0.022 0.000 1.088 661 K HN 0.183 nan 8.250 nan 0.000 0.478 662 P HA -0.053 nan 4.420 nan 0.000 0.267 662 P C -0.371 176.926 177.300 -0.006 0.000 1.209 662 P CA -0.062 63.021 63.100 -0.029 0.000 0.763 662 P CB 0.983 32.644 31.700 -0.066 0.000 0.816 663 L N 2.989 124.228 121.223 0.027 0.000 2.577 663 L HA 0.465 4.805 4.340 -0.000 0.000 0.225 663 L C 0.875 177.773 176.870 0.046 0.000 1.053 663 L CA 0.783 55.647 54.840 0.040 0.000 0.866 663 L CB -0.106 41.993 42.059 0.068 0.000 1.132 663 L HN 0.525 nan 8.230 nan 0.000 0.486 664 A N -1.603 121.253 122.820 0.059 0.000 2.604 664 A HA 0.778 5.098 4.320 -0.000 0.000 0.295 664 A C -0.995 176.503 177.584 -0.143 0.000 1.067 664 A CA 0.200 52.265 52.037 0.046 0.000 0.683 664 A CB 1.306 20.450 19.000 0.241 0.000 1.281 664 A HN 0.071 nan 8.150 nan 0.000 0.407 665 S N -0.364 115.003 115.700 -0.555 0.000 2.578 665 S HA 0.922 5.392 4.470 -0.000 0.000 0.272 665 S C -0.308 173.432 174.600 -1.433 0.000 1.145 665 S CA 0.038 57.531 58.200 -1.178 0.000 0.835 665 S CB 1.006 63.864 63.200 -0.569 0.000 1.104 665 S HN 2.606 nan 8.310 nan 0.000 0.458 666 G N 0.236 107.878 108.800 -1.931 0.000 2.554 666 G HA2 0.716 4.676 3.960 -0.000 0.000 0.306 666 G HA3 0.716 4.676 3.960 -0.000 0.000 0.306 666 G C -2.076 172.407 174.900 -0.695 0.000 1.320 666 G CA -0.421 44.079 45.100 -1.000 0.000 0.800 666 G HN 1.206 nan 8.290 nan 0.000 0.481 667 E N -1.754 118.348 120.200 -0.164 0.000 2.366 667 E HA 0.678 5.028 4.350 -0.000 0.000 0.278 667 E C -1.853 174.852 176.600 0.175 0.000 0.923 667 E CA -0.993 55.421 56.400 0.022 0.000 0.761 667 E CB 2.621 32.217 29.700 -0.174 0.000 1.231 667 E HN 0.506 nan 8.360 nan 0.000 0.443 668 V N 1.838 121.890 119.914 0.229 0.000 2.733 668 V HA 0.394 4.514 4.120 -0.000 0.000 0.306 668 V C -2.522 173.661 176.094 0.148 0.000 1.084 668 V CA -1.961 60.447 62.300 0.179 0.000 0.905 668 V CB 2.044 33.979 31.823 0.187 0.000 1.010 668 V HN 0.686 nan 8.190 nan 0.000 0.424 669 P HA 0.228 nan 4.420 nan 0.000 0.268 669 P C -0.722 176.623 177.300 0.075 0.000 1.205 669 P CA -0.040 63.115 63.100 0.092 0.000 0.771 669 P CB 0.519 32.268 31.700 0.082 0.000 0.858 670 L N 3.117 124.367 121.223 0.044 0.000 2.265 670 L HA 0.288 4.628 4.340 -0.000 0.000 0.288 670 L C 0.372 177.259 176.870 0.029 0.000 1.058 670 L CA 0.149 54.990 54.840 0.002 0.000 0.809 670 L CB 0.739 42.728 42.059 -0.118 0.000 1.179 670 L HN 0.364 nan 8.230 nan 0.000 0.429 671 D N 3.293 123.720 120.400 0.044 0.000 2.513 671 D HA 0.329 4.968 4.640 -0.000 0.000 0.295 671 D C -1.173 175.126 176.300 -0.001 0.000 1.202 671 D CA -0.189 53.882 54.000 0.118 0.000 0.849 671 D CB 0.812 41.729 40.800 0.195 0.000 1.116 671 D HN 0.059 nan 8.370 nan 0.000 0.502 672 V N 1.425 121.182 119.914 -0.261 0.000 2.448 672 V HA 0.815 4.935 4.120 -0.000 0.000 0.295 672 V C 0.838 176.683 176.094 -0.415 0.000 1.025 672 V CA -1.181 61.014 62.300 -0.174 0.000 0.859 672 V CB 1.225 33.065 31.823 0.029 0.000 0.988 672 V HN 0.501 nan 8.190 nan 0.000 0.431 673 A N 6.971 129.752 122.820 -0.066 0.000 2.313 673 A HA 0.671 4.991 4.320 -0.000 0.000 0.261 673 A C -2.187 175.432 177.584 0.059 0.000 1.090 673 A CA -1.430 50.685 52.037 0.130 0.000 0.807 673 A CB -0.125 19.005 19.000 0.217 0.000 1.055 673 A HN 0.694 nan 8.150 nan 0.000 0.492 674 P HA 0.022 nan 4.420 nan 0.000 0.264 674 P C -0.565 176.735 177.300 -0.000 0.000 1.193 674 P CA 0.576 63.698 63.100 0.036 0.000 0.763 674 P CB 0.863 32.570 31.700 0.011 0.000 0.810 675 Q N -0.857 118.927 119.800 -0.028 0.000 2.305 675 Q HA -0.157 4.183 4.340 -0.000 0.000 0.203 675 Q C 0.801 176.794 176.000 -0.012 0.000 0.663 675 Q CA 1.818 57.596 55.803 -0.041 0.000 1.389 675 Q CB -2.475 26.232 28.738 -0.052 0.000 1.566 675 Q HN 0.788 nan 8.270 nan 0.000 0.755 676 G N 0.220 109.027 108.800 0.013 0.000 2.543 676 G HA2 0.539 4.499 3.960 -0.000 0.000 0.290 676 G HA3 0.539 4.499 3.960 -0.000 0.000 0.290 676 G C -0.208 174.708 174.900 0.027 0.000 1.310 676 G CA -0.481 44.635 45.100 0.027 0.000 1.025 676 G HN 0.003 nan 8.290 nan 0.000 0.502 677 K N -0.730 119.689 120.400 0.032 0.000 2.435 677 K HA 0.481 4.801 4.320 -0.000 0.000 0.251 677 K C -1.032 175.591 176.600 0.038 0.000 0.954 677 K CA -0.645 55.660 56.287 0.030 0.000 0.820 677 K CB 2.622 35.134 32.500 0.021 0.000 1.292 677 K HN 0.505 nan 8.250 nan 0.000 0.436 678 Q N 2.643 122.466 119.800 0.038 0.000 2.271 678 Q HA 0.365 4.705 4.340 -0.000 0.000 0.268 678 Q C -1.662 174.359 176.000 0.036 0.000 1.021 678 Q CA -0.611 55.216 55.803 0.041 0.000 0.802 678 Q CB 1.435 30.200 28.738 0.045 0.000 1.282 678 Q HN 0.542 nan 8.270 nan 0.000 0.431 679 L N 5.207 126.445 121.223 0.025 0.000 2.275 679 L HA 0.539 4.879 4.340 -0.000 0.000 0.288 679 L C -0.397 176.475 176.870 0.004 0.000 1.046 679 L CA -0.570 54.275 54.840 0.009 0.000 0.805 679 L CB 1.136 43.193 42.059 -0.003 0.000 1.193 679 L HN 0.574 nan 8.230 nan 0.000 0.426 680 I N 2.810 123.373 120.570 -0.011 0.000 2.389 680 I HA 0.218 4.388 4.170 -0.000 0.000 0.288 680 I C -0.243 175.821 176.117 -0.088 0.000 0.999 680 I CA -0.566 60.718 61.300 -0.026 0.000 1.129 680 I CB 2.035 40.035 38.000 -0.000 0.000 1.288 680 I HN 0.518 nan 8.210 nan 0.000 0.444 681 E N 7.096 127.244 120.200 -0.087 0.000 2.089 681 E HA 0.380 4.729 4.350 -0.000 0.000 0.284 681 E C -0.948 175.541 176.600 -0.186 0.000 1.023 681 E CA -0.314 56.013 56.400 -0.122 0.000 0.819 681 E CB 0.734 30.388 29.700 -0.077 0.000 1.076 681 E HN 0.421 nan 8.360 nan 0.000 0.396 682 L N 6.902 127.949 121.223 -0.293 0.000 2.397 682 L HA 0.340 4.680 4.340 -0.000 0.000 0.271 682 L C -1.569 175.126 176.870 -0.292 0.000 1.148 682 L CA -1.793 52.766 54.840 -0.469 0.000 0.825 682 L CB 0.413 42.083 42.059 -0.649 0.000 1.117 682 L HN 0.517 nan 8.230 nan 0.000 0.456 683 P HA 0.029 nan 4.420 nan 0.000 0.272 683 P C -0.830 176.424 177.300 -0.077 0.000 1.240 683 P CA -0.483 62.571 63.100 -0.077 0.000 0.791 683 P CB 0.464 32.191 31.700 0.045 0.000 0.978 684 E N 0.559 120.741 120.200 -0.031 0.000 2.498 684 E HA 0.056 4.406 4.350 -0.000 0.000 0.252 684 E C -0.215 176.387 176.600 0.004 0.000 1.025 684 E CA 0.086 56.472 56.400 -0.023 0.000 0.938 684 E CB -0.162 29.533 29.700 -0.009 0.000 0.947 684 E HN 0.309 nan 8.360 nan 0.000 0.478 685 L N 6.273 127.492 121.223 -0.006 0.000 2.326 685 L HA 0.307 4.647 4.340 -0.000 0.000 0.278 685 L C -1.709 175.181 176.870 0.032 0.000 1.092 685 L CA -2.093 52.766 54.840 0.032 0.000 0.810 685 L CB 0.256 42.327 42.059 0.019 0.000 1.153 685 L HN 0.367 nan 8.230 nan 0.000 0.439 686 P HA 0.138 nan 4.420 nan 0.000 0.282 686 P C -1.123 176.197 177.300 0.034 0.000 1.274 686 P CA -0.674 62.448 63.100 0.037 0.000 0.770 686 P CB 1.034 32.759 31.700 0.042 0.000 0.867 687 Q N 4.685 124.499 119.800 0.023 0.000 2.247 687 Q HA 0.125 4.465 4.340 -0.000 0.000 0.288 687 Q C -1.666 174.349 176.000 0.026 0.000 1.079 687 Q CA -0.536 55.279 55.803 0.021 0.000 0.932 687 Q CB -0.588 28.157 28.738 0.013 0.000 1.133 687 Q HN 0.419 nan 8.270 nan 0.000 0.377 688 P HA 0.007 nan 4.420 nan 0.000 0.276 688 P C -0.489 176.827 177.300 0.028 0.000 1.243 688 P CA -0.008 63.112 63.100 0.034 0.000 0.768 688 P CB 1.182 32.908 31.700 0.045 0.000 0.856 689 E N 1.249 121.464 120.200 0.025 0.000 2.015 689 E HA -0.085 4.265 4.350 -0.000 0.000 0.191 689 E C 1.107 177.722 176.600 0.025 0.000 0.991 689 E CA 0.824 57.237 56.400 0.022 0.000 0.802 689 E CB -0.282 29.430 29.700 0.019 0.000 0.759 689 E HN 0.495 nan 8.360 nan 0.000 0.447 690 S N 0.049 115.766 115.700 0.028 0.000 2.563 690 S HA 0.178 4.648 4.470 -0.000 0.000 0.269 690 S C -0.057 174.566 174.600 0.037 0.000 1.364 690 S CA -0.108 58.111 58.200 0.032 0.000 1.010 690 S CB 0.570 63.791 63.200 0.034 0.000 0.877 690 S HN 0.275 nan 8.310 nan 0.000 0.549 691 A N 1.744 124.588 122.820 0.040 0.000 2.286 691 A HA 0.806 5.126 4.320 -0.000 0.000 0.286 691 A C 0.787 178.406 177.584 0.059 0.000 1.097 691 A CA 0.215 52.279 52.037 0.044 0.000 0.821 691 A CB 0.028 19.054 19.000 0.042 0.000 1.076 691 A HN 1.934 nan 8.150 nan 0.000 0.490 692 G N -0.749 108.088 108.800 0.063 0.000 2.346 692 G HA2 0.432 4.392 3.960 -0.000 0.000 0.294 692 G HA3 0.432 4.392 3.960 -0.000 0.000 0.294 692 G C -1.195 173.755 174.900 0.082 0.000 1.294 692 G CA -0.182 44.971 45.100 0.088 0.000 0.962 692 G HN 1.146 nan 8.290 nan 0.000 0.508 693 Q N -0.243 119.633 119.800 0.127 0.000 2.307 693 Q HA 0.737 5.077 4.340 -0.000 0.000 0.262 693 Q C -0.440 175.653 176.000 0.155 0.000 0.961 693 Q CA -0.587 55.263 55.803 0.079 0.000 0.882 693 Q CB 1.347 30.120 28.738 0.058 0.000 1.264 693 Q HN 0.587 nan 8.270 nan 0.000 0.446 694 L N 4.400 125.640 121.223 0.027 0.000 2.305 694 L HA 0.453 4.793 4.340 -0.000 0.000 0.281 694 L C -0.873 176.003 176.870 0.010 0.000 1.085 694 L CA -0.401 54.495 54.840 0.094 0.000 0.813 694 L CB 0.668 42.756 42.059 0.048 0.000 1.157 694 L HN 0.702 nan 8.230 nan 0.000 0.436 695 W N 4.511 125.881 121.300 0.117 0.000 2.702 695 W HA 0.487 5.147 4.660 -0.000 0.000 0.331 695 W C -0.702 175.928 176.519 0.184 0.000 1.049 695 W CA -0.517 56.920 57.345 0.153 0.000 1.230 695 W CB 1.667 31.246 29.460 0.198 0.000 1.408 695 W HN 0.129 nan 8.180 nan 0.000 0.492 696 L N 3.473 124.961 121.223 0.442 0.000 2.307 696 L HA 0.766 5.106 4.340 -0.000 0.000 0.284 696 L C -0.359 176.812 176.870 0.500 0.000 1.023 696 L CA 0.145 55.239 54.840 0.424 0.000 0.810 696 L CB 1.337 43.609 42.059 0.355 0.000 1.231 696 L HN 0.320 nan 8.230 nan 0.000 0.423 697 T N 5.101 119.904 114.554 0.415 0.000 2.879 697 T HA 0.647 4.997 4.350 -0.000 0.000 0.290 697 T C -0.810 174.086 174.700 0.328 0.000 0.993 697 T CA -0.447 61.857 62.100 0.339 0.000 0.975 697 T CB 1.497 70.506 68.868 0.235 0.000 0.981 697 T HN 0.598 nan 8.240 nan 0.000 0.439 698 V N 1.748 121.830 119.914 0.280 0.000 2.769 698 V HA 0.964 5.084 4.120 -0.000 0.000 0.312 698 V C -0.688 175.492 176.094 0.144 0.000 1.061 698 V CA -1.345 61.087 62.300 0.221 0.000 0.931 698 V CB 1.843 33.753 31.823 0.145 0.000 1.010 698 V HN 1.031 nan 8.190 nan 0.000 0.433 699 R N 1.882 122.481 120.500 0.166 0.000 2.626 699 R HA 0.824 5.164 4.340 -0.000 0.000 0.274 699 R C -2.162 174.209 176.300 0.119 0.000 1.031 699 R CA -0.819 55.388 56.100 0.178 0.000 0.898 699 R CB 2.124 32.505 30.300 0.135 0.000 1.222 699 R HN 0.526 nan 8.270 nan 0.000 0.455 700 V N 3.084 123.098 119.914 0.167 0.000 2.407 700 V HA 0.407 4.527 4.120 -0.000 0.000 0.278 700 V C -0.279 175.828 176.094 0.021 0.000 1.037 700 V CA -0.589 61.762 62.300 0.086 0.000 0.900 700 V CB 1.515 33.410 31.823 0.120 0.000 0.983 700 V HN 0.564 nan 8.190 nan 0.000 0.459 701 V N 5.087 124.945 119.914 -0.093 0.000 2.555 701 V HA 0.400 4.519 4.120 -0.000 0.000 0.302 701 V C -0.253 175.838 176.094 -0.004 0.000 1.038 701 V CA -0.773 61.462 62.300 -0.109 0.000 0.887 701 V CB 2.012 33.631 31.823 -0.341 0.000 0.991 701 V HN 0.900 nan 8.190 nan 0.000 0.434 702 Q N 5.059 124.894 119.800 0.059 0.000 2.390 702 Q HA 0.253 4.593 4.340 -0.000 0.000 0.249 702 Q C -1.894 174.128 176.000 0.036 0.000 0.996 702 Q CA -1.695 54.152 55.803 0.074 0.000 0.899 702 Q CB 1.673 30.477 28.738 0.112 0.000 1.216 702 Q HN 0.464 nan 8.270 nan 0.000 0.465 703 P HA -0.172 nan 4.420 nan 0.000 0.215 703 P C -0.263 177.043 177.300 0.009 0.000 1.153 703 P CA 1.224 64.342 63.100 0.031 0.000 0.853 703 P CB 0.381 32.107 31.700 0.044 0.000 0.788 704 N N -0.472 118.224 118.700 -0.007 0.000 2.473 704 N HA 0.370 5.110 4.740 -0.000 0.000 0.291 704 N C -0.142 175.319 175.510 -0.081 0.000 1.083 704 N CA -0.419 52.611 53.050 -0.033 0.000 0.951 704 N CB 1.195 39.666 38.487 -0.028 0.000 1.164 704 N HN -0.075 nan 8.380 nan 0.000 0.480 705 A N 0.843 123.606 122.820 -0.095 0.000 2.366 705 A HA 0.477 4.797 4.320 -0.000 0.000 0.249 705 A C 0.780 178.233 177.584 -0.218 0.000 1.084 705 A CA -0.018 51.923 52.037 -0.159 0.000 0.794 705 A CB 0.067 19.000 19.000 -0.112 0.000 1.034 705 A HN 0.750 nan 8.150 nan 0.000 0.491 706 T N -3.180 111.155 114.554 -0.365 0.000 2.773 706 T HA 0.628 4.978 4.350 -0.000 0.000 0.278 706 T C 0.947 175.466 174.700 -0.302 0.000 1.011 706 T CA 0.049 61.911 62.100 -0.398 0.000 1.014 706 T CB 1.079 69.482 68.868 -0.774 0.000 1.293 706 T HN 1.340 nan 8.240 nan 0.000 0.554 707 A N -0.148 122.575 122.820 -0.162 0.000 2.121 707 A HA 0.125 4.445 4.320 -0.000 0.000 0.218 707 A C 1.586 179.309 177.584 0.232 0.000 1.154 707 A CA 0.958 53.014 52.037 0.031 0.000 0.679 707 A CB -0.860 18.154 19.000 0.023 0.000 0.795 707 A HN 0.908 nan 8.150 nan 0.000 0.458 708 W N -0.769 120.607 121.300 0.128 0.000 2.714 708 W HA 0.430 5.090 4.660 -0.000 0.000 0.353 708 W C -0.223 176.277 176.519 -0.031 0.000 0.999 708 W CA 0.457 57.857 57.345 0.091 0.000 1.629 708 W CB -0.994 28.515 29.460 0.082 0.000 1.106 708 W HN 0.414 nan 8.180 nan 0.000 0.545 709 S N -0.134 115.199 115.700 -0.612 0.000 2.570 709 S HA 0.444 4.914 4.470 -0.000 0.000 0.270 709 S C -0.958 173.420 174.600 -0.370 0.000 1.149 709 S CA -0.760 57.091 58.200 -0.582 0.000 0.837 709 S CB 2.735 65.196 63.200 -1.232 0.000 1.124 709 S HN 0.119 nan 8.310 nan 0.000 0.465 710 E N 0.450 120.538 120.200 -0.187 0.000 2.280 710 E HA 0.597 4.947 4.350 -0.000 0.000 0.264 710 E C 0.137 176.699 176.600 -0.062 0.000 1.064 710 E CA -0.931 55.414 56.400 -0.090 0.000 0.900 710 E CB 1.256 30.947 29.700 -0.015 0.000 1.123 710 E HN 0.871 nan 8.360 nan 0.000 0.418 711 A N 0.386 123.183 122.820 -0.039 0.000 2.511 711 A HA 0.406 4.726 4.320 -0.000 0.000 0.242 711 A C 1.057 178.655 177.584 0.023 0.000 1.069 711 A CA 0.790 52.818 52.037 -0.015 0.000 0.763 711 A CB -0.432 18.561 19.000 -0.011 0.000 1.001 711 A HN 0.788 nan 8.150 nan 0.000 0.498 712 G N 0.794 109.616 108.800 0.036 0.000 2.175 712 G HA2 -0.229 3.731 3.960 -0.000 0.000 0.244 712 G HA3 -0.229 3.731 3.960 -0.000 0.000 0.244 712 G C 0.234 175.170 174.900 0.060 0.000 0.982 712 G CA 0.537 45.660 45.100 0.039 0.000 0.641 712 G HN 1.693 nan 8.290 nan 0.000 0.527 713 H N 0.881 119.949 119.070 -0.003 0.000 3.034 713 H HA 0.415 4.971 4.556 -0.000 0.000 0.324 713 H C 0.789 176.170 175.328 0.089 0.000 1.015 713 H CA 0.407 56.480 56.048 0.042 0.000 1.429 713 H CB 0.139 29.910 29.762 0.016 0.000 1.429 713 H HN 0.319 nan 8.280 nan 0.000 0.585 714 I N 4.867 125.195 120.570 -0.404 0.000 2.325 714 I HA 0.037 4.207 4.170 -0.000 0.000 0.291 714 I C 1.009 176.976 176.117 -0.250 0.000 1.019 714 I CA 0.049 61.224 61.300 -0.208 0.000 1.302 714 I CB 1.454 39.403 38.000 -0.085 0.000 1.401 714 I HN 0.773 nan 8.210 nan 0.000 0.485 715 S N 4.291 120.042 115.700 0.084 0.000 2.497 715 S HA 0.510 4.980 4.470 -0.000 0.000 0.218 715 S C 0.527 175.368 174.600 0.400 0.000 1.023 715 S CA 0.051 58.437 58.200 0.309 0.000 0.913 715 S CB 0.554 64.050 63.200 0.493 0.000 0.800 715 S HN 0.714 nan 8.310 nan 0.000 0.505 716 A N 0.359 123.445 122.820 0.444 0.000 2.608 716 A HA 0.686 5.006 4.320 -0.000 0.000 0.292 716 A C -1.872 176.038 177.584 0.543 0.000 1.066 716 A CA -0.804 51.482 52.037 0.416 0.000 0.676 716 A CB 0.474 19.777 19.000 0.505 0.000 1.277 716 A HN 0.986 nan 8.150 nan 0.000 0.413 717 W N -0.347 121.101 121.300 0.247 0.000 3.059 717 W HA 0.780 5.440 4.660 -0.000 0.000 0.329 717 W C -1.374 175.155 176.519 0.015 0.000 1.246 717 W CA -0.516 56.865 57.345 0.061 0.000 1.190 717 W CB 1.101 30.591 29.460 0.049 0.000 1.423 717 W HN 0.991 nan 8.180 nan 0.000 0.571 718 Q N 1.163 120.966 119.800 0.005 0.000 2.527 718 Q HA 0.437 4.777 4.340 -0.000 0.000 0.280 718 Q C -1.565 174.238 176.000 -0.329 0.000 0.977 718 Q CA -0.474 55.153 55.803 -0.294 0.000 0.837 718 Q CB 2.469 30.773 28.738 -0.723 0.000 1.454 718 Q HN 0.617 nan 8.270 nan 0.000 0.387 719 Q N 1.287 120.833 119.800 -0.423 0.000 2.413 719 Q HA 0.658 4.998 4.340 -0.000 0.000 0.276 719 Q C -1.171 174.655 176.000 -0.290 0.000 1.099 719 Q CA -0.698 55.061 55.803 -0.074 0.000 0.814 719 Q CB 2.404 31.316 28.738 0.289 0.000 1.379 719 Q HN 0.584 nan 8.270 nan 0.000 0.436 720 W N 1.102 122.539 121.300 0.228 0.000 3.274 720 W HA 0.389 5.049 4.660 -0.000 0.000 0.327 720 W C -0.523 175.873 176.519 -0.206 0.000 1.172 720 W CA -0.625 56.736 57.345 0.027 0.000 1.217 720 W CB 1.661 31.127 29.460 0.011 0.000 1.376 720 W HN 0.437 nan 8.180 nan 0.000 0.507 721 R N 2.261 122.584 120.500 -0.296 0.000 2.389 721 R HA 0.422 4.762 4.340 -0.000 0.000 0.295 721 R C 0.558 176.686 176.300 -0.287 0.000 1.075 721 R CA -0.076 55.596 56.100 -0.714 0.000 1.005 721 R CB 1.134 30.971 30.300 -0.772 0.000 0.987 721 R HN 0.332 nan 8.270 nan 0.000 0.452 722 L N 1.472 122.546 121.223 -0.249 0.000 2.719 722 L HA 0.488 4.828 4.340 -0.000 0.000 0.182 722 L C 0.720 177.512 176.870 -0.130 0.000 1.940 722 L CA -0.860 53.908 54.840 -0.121 0.000 2.839 722 L CB -0.157 41.871 42.059 -0.051 0.000 2.949 722 L HN 0.592 nan 8.230 nan 0.000 0.669 723 A N 0.313 123.086 122.820 -0.079 0.000 2.425 723 A HA 0.241 4.561 4.320 -0.000 0.000 0.242 723 A C -0.307 177.238 177.584 -0.066 0.000 1.077 723 A CA 0.187 52.187 52.037 -0.063 0.000 0.781 723 A CB 0.219 19.199 19.000 -0.034 0.000 1.020 723 A HN 0.612 nan 8.150 nan 0.000 0.494 724 E N 1.103 121.272 120.200 -0.053 0.000 2.275 724 E HA 0.295 4.645 4.350 -0.000 0.000 0.270 724 E C -1.564 175.029 176.600 -0.012 0.000 0.882 724 E CA -0.702 55.676 56.400 -0.037 0.000 0.758 724 E CB 0.966 30.632 29.700 -0.057 0.000 1.195 724 E HN 0.677 nan 8.360 nan 0.000 0.419 725 N N 5.355 124.059 118.700 0.007 0.000 2.511 725 N HA 0.270 5.010 4.740 -0.000 0.000 0.249 725 N C -0.453 175.071 175.510 0.022 0.000 0.971 725 N CA -0.349 52.709 53.050 0.014 0.000 0.938 725 N CB 1.224 39.723 38.487 0.019 0.000 1.131 725 N HN 0.497 nan 8.380 nan 0.000 0.505 726 L N 0.816 122.051 121.223 0.019 0.000 2.456 726 L HA 0.078 4.418 4.340 -0.000 0.000 0.272 726 L C 1.305 178.193 176.870 0.030 0.000 1.189 726 L CA 0.147 55.003 54.840 0.027 0.000 0.846 726 L CB 0.457 42.530 42.059 0.023 0.000 1.111 726 L HN 0.371 nan 8.230 nan 0.000 0.475 727 S N 1.655 117.378 115.700 0.038 0.000 2.474 727 S HA 0.269 4.739 4.470 -0.000 0.000 0.276 727 S C 0.580 175.200 174.600 0.033 0.000 1.227 727 S CA -0.776 57.447 58.200 0.037 0.000 1.050 727 S CB 0.857 64.085 63.200 0.045 0.000 0.939 727 S HN 0.469 nan 8.310 nan 0.000 0.490 728 V N 2.226 122.157 119.914 0.028 0.000 3.477 728 V HA 0.322 4.442 4.120 -0.000 0.000 0.297 728 V C 0.684 176.792 176.094 0.023 0.000 1.433 728 V CA 0.207 62.522 62.300 0.024 0.000 1.052 728 V CB -0.679 31.156 31.823 0.020 0.000 0.895 728 V HN 0.853 nan 8.190 nan 0.000 0.438 729 T N 1.422 115.991 114.554 0.026 0.000 2.814 729 T HA 0.609 4.959 4.350 -0.000 0.000 0.297 729 T C -0.223 174.493 174.700 0.026 0.000 0.956 729 T CA -0.340 61.774 62.100 0.024 0.000 1.123 729 T CB 0.993 69.876 68.868 0.025 0.000 0.902 729 T HN 0.170 nan 8.240 nan 0.000 0.528 730 L N 5.297 126.533 121.223 0.022 0.000 2.461 730 L HA 0.348 4.688 4.340 -0.000 0.000 0.272 730 L C -1.097 175.788 176.870 0.024 0.000 1.197 730 L CA -1.262 53.591 54.840 0.022 0.000 0.836 730 L CB -0.701 41.367 42.059 0.015 0.000 1.105 730 L HN 0.628 nan 8.230 nan 0.000 0.477 731 P HA 0.241 nan 4.420 nan 0.000 0.274 731 P C -1.054 176.261 177.300 0.026 0.000 1.231 731 P CA -0.670 62.448 63.100 0.030 0.000 0.790 731 P CB 0.864 32.585 31.700 0.035 0.000 0.951 732 A N 2.343 125.182 122.820 0.031 0.000 2.537 732 A HA 0.387 4.707 4.320 -0.000 0.000 0.260 732 A C 0.886 178.486 177.584 0.027 0.000 1.082 732 A CA -0.028 52.028 52.037 0.032 0.000 0.765 732 A CB -0.883 18.143 19.000 0.043 0.000 1.019 732 A HN 0.710 nan 8.150 nan 0.000 0.507 733 A N 3.927 126.750 122.820 0.005 0.000 2.492 733 A HA 0.494 4.814 4.320 -0.000 0.000 0.254 733 A C 0.997 178.566 177.584 -0.025 0.000 1.091 733 A CA 0.385 52.408 52.037 -0.024 0.000 0.768 733 A CB -0.261 18.702 19.000 -0.062 0.000 1.028 733 A HN 1.747 nan 8.150 nan 0.000 0.498 734 S N 1.739 117.438 115.700 -0.001 0.000 2.687 734 S HA 0.505 4.975 4.470 -0.000 0.000 0.283 734 S C 0.471 175.071 174.600 0.001 0.000 1.170 734 S CA -0.340 57.905 58.200 0.075 0.000 1.008 734 S CB 0.643 63.900 63.200 0.094 0.000 1.026 734 S HN 0.691 nan 8.310 nan 0.000 0.541 735 H N 0.847 119.930 119.070 0.023 0.000 2.388 735 H HA 0.467 5.023 4.556 -0.000 0.000 0.304 735 H C 1.207 176.549 175.328 0.024 0.000 1.049 735 H CA 0.840 56.900 56.048 0.020 0.000 1.371 735 H CB -0.724 29.049 29.762 0.017 0.000 1.436 735 H HN 0.861 nan 8.280 nan 0.000 0.544 736 A N 1.594 124.514 122.820 0.168 0.000 2.498 736 A HA 0.334 4.654 4.320 -0.000 0.000 0.239 736 A C -0.103 177.532 177.584 0.085 0.000 1.068 736 A CA 0.151 52.253 52.037 0.108 0.000 0.766 736 A CB -0.321 18.737 19.000 0.097 0.000 1.003 736 A HN 0.339 nan 8.150 nan 0.000 0.497 737 I N 3.063 123.679 120.570 0.078 0.000 2.465 737 I HA 0.295 4.465 4.170 -0.000 0.000 0.291 737 I C -2.249 173.920 176.117 0.088 0.000 1.014 737 I CA -2.141 59.198 61.300 0.065 0.000 1.093 737 I CB 2.132 40.162 38.000 0.051 0.000 1.267 737 I HN 0.445 nan 8.210 nan 0.000 0.431 738 P HA -0.002 nan 4.420 nan 0.000 0.266 738 P C -0.926 176.444 177.300 0.118 0.000 1.195 738 P CA 0.249 63.408 63.100 0.098 0.000 0.768 738 P CB 0.297 32.005 31.700 0.013 0.000 0.838 739 H N 2.875 121.982 119.070 0.062 0.000 2.489 739 H HA 0.367 4.923 4.556 -0.000 0.000 0.343 739 H C -1.147 174.211 175.328 0.049 0.000 1.086 739 H CA -0.951 55.122 56.048 0.043 0.000 1.198 739 H CB 1.179 30.968 29.762 0.045 0.000 1.490 739 H HN 0.227 nan 8.280 nan 0.000 0.504 740 L N 4.721 125.599 121.223 -0.575 0.000 2.292 740 L HA 0.306 4.646 4.340 -0.000 0.000 0.284 740 L C -0.621 176.024 176.870 -0.375 0.000 1.065 740 L CA 0.138 54.758 54.840 -0.365 0.000 0.806 740 L CB 1.333 43.202 42.059 -0.316 0.000 1.175 740 L HN 0.586 nan 8.230 nan 0.000 0.431 741 T N 3.736 118.260 114.554 -0.050 0.000 2.840 741 T HA 0.507 4.857 4.350 -0.000 0.000 0.287 741 T C -0.361 174.426 174.700 0.146 0.000 0.991 741 T CA -0.399 61.745 62.100 0.074 0.000 0.964 741 T CB 1.195 70.156 68.868 0.155 0.000 0.954 741 T HN 0.698 nan 8.240 nan 0.000 0.438 742 T N 2.636 117.279 114.554 0.147 0.000 2.945 742 T HA 0.824 5.174 4.350 -0.000 0.000 0.286 742 T C -0.121 174.654 174.700 0.125 0.000 1.025 742 T CA -0.738 61.496 62.100 0.222 0.000 1.039 742 T CB 1.454 70.475 68.868 0.255 0.000 1.068 742 T HN 0.740 nan 8.240 nan 0.000 0.497 743 S N 0.004 115.751 115.700 0.078 0.000 2.615 743 S HA 0.379 4.849 4.470 -0.000 0.000 0.269 743 S C 0.694 175.270 174.600 -0.040 0.000 1.161 743 S CA -0.810 57.404 58.200 0.023 0.000 0.817 743 S CB 1.575 64.791 63.200 0.026 0.000 1.131 743 S HN 0.751 nan 8.310 nan 0.000 0.467 744 E N -0.127 120.050 120.200 -0.038 0.000 2.077 744 E HA -0.128 4.222 4.350 -0.000 0.000 0.193 744 E C 1.134 177.668 176.600 -0.111 0.000 0.989 744 E CA 1.420 57.780 56.400 -0.067 0.000 0.800 744 E CB -0.126 29.551 29.700 -0.037 0.000 0.746 744 E HN 0.642 nan 8.360 nan 0.000 0.452 745 M N 0.558 120.109 119.600 -0.081 0.000 2.510 745 M HA 0.169 4.649 4.480 -0.000 0.000 0.256 745 M C -0.266 175.973 176.300 -0.103 0.000 1.132 745 M CA 0.573 55.825 55.300 -0.081 0.000 1.105 745 M CB 0.236 32.819 32.600 -0.027 0.000 1.375 745 M HN -0.081 nan 8.290 nan 0.000 0.477 746 D N -0.949 119.385 120.400 -0.110 0.000 2.602 746 D HA 0.414 5.054 4.640 -0.000 0.000 0.236 746 D C -1.417 174.872 176.300 -0.018 0.000 1.209 746 D CA -0.346 53.620 54.000 -0.057 0.000 0.831 746 D CB 2.267 43.114 40.800 0.078 0.000 1.478 746 D HN -0.036 nan 8.370 nan 0.000 0.438 747 F N 0.971 120.995 119.950 0.124 0.000 2.427 747 F HA 0.351 4.878 4.527 -0.000 0.000 0.348 747 F C 0.104 176.018 175.800 0.190 0.000 1.125 747 F CA -0.864 57.193 58.000 0.094 0.000 0.989 747 F CB 1.548 40.558 39.000 0.016 0.000 1.165 747 F HN 0.113 nan 8.300 nan 0.000 0.442 748 C N 6.253 125.765 119.300 0.353 0.000 2.417 748 C HA 0.806 5.266 4.460 -0.000 0.000 0.324 748 C C -0.667 174.484 174.990 0.268 0.000 1.240 748 C CA -0.516 58.696 59.018 0.325 0.000 1.632 748 C CB 0.214 28.103 27.740 0.247 0.000 2.241 748 C HN 0.671 nan 8.230 nan 0.000 0.499 749 I N 4.233 125.022 120.570 0.365 0.000 2.509 749 I HA 0.561 4.731 4.170 -0.000 0.000 0.293 749 I C -0.152 176.244 176.117 0.464 0.000 1.020 749 I CA 0.032 61.534 61.300 0.337 0.000 1.088 749 I CB 1.664 39.833 38.000 0.282 0.000 1.267 749 I HN 0.669 nan 8.210 nan 0.000 0.430 750 E N 5.406 125.821 120.200 0.358 0.000 2.248 750 E HA 0.736 5.086 4.350 -0.000 0.000 0.267 750 E C -1.920 174.867 176.600 0.311 0.000 0.877 750 E CA -0.836 55.752 56.400 0.314 0.000 0.759 750 E CB 2.245 32.062 29.700 0.194 0.000 1.182 750 E HN 0.494 nan 8.360 nan 0.000 0.418 751 L N 4.725 126.131 121.223 0.305 0.000 2.596 751 L HA 0.527 4.867 4.340 -0.000 0.000 0.265 751 L C 0.116 177.078 176.870 0.154 0.000 0.962 751 L CA 0.798 55.790 54.840 0.254 0.000 0.891 751 L CB 1.288 43.571 42.059 0.373 0.000 1.248 751 L HN 0.788 nan 8.230 nan 0.000 0.410 752 G N 4.584 113.441 108.800 0.095 0.000 2.611 752 G HA2 -0.417 3.543 3.960 -0.000 0.000 0.301 752 G HA3 -0.417 3.543 3.960 -0.000 0.000 0.301 752 G C 0.480 175.391 174.900 0.019 0.000 1.233 752 G CA 0.586 45.715 45.100 0.049 0.000 0.993 752 G HN 1.372 nan 8.290 nan 0.000 0.553 753 N N 1.432 120.129 118.700 -0.005 0.000 2.322 753 N HA 0.117 4.857 4.740 -0.000 0.000 0.216 753 N C 0.168 175.635 175.510 -0.071 0.000 1.144 753 N CA 0.630 53.658 53.050 -0.036 0.000 0.830 753 N CB 0.134 38.599 38.487 -0.037 0.000 1.034 753 N HN 0.732 nan 8.380 nan 0.000 0.484 754 K N 0.445 120.790 120.400 -0.092 0.000 2.221 754 K HA 0.488 4.808 4.320 -0.000 0.000 0.258 754 K C -0.436 175.977 176.600 -0.312 0.000 0.944 754 K CA -0.587 55.530 56.287 -0.284 0.000 0.823 754 K CB 2.202 34.450 32.500 -0.421 0.000 1.113 754 K HN 0.004 nan 8.250 nan 0.000 0.431 755 R N 1.533 121.802 120.500 -0.384 0.000 2.686 755 R HA 0.417 4.757 4.340 -0.000 0.000 0.283 755 R C -1.205 174.980 176.300 -0.191 0.000 0.978 755 R CA -0.822 55.231 56.100 -0.078 0.000 0.897 755 R CB 1.796 32.191 30.300 0.158 0.000 1.192 755 R HN 0.531 nan 8.270 nan 0.000 0.457 756 W N 2.341 123.772 121.300 0.219 0.000 2.702 756 W HA 0.339 4.999 4.660 -0.000 0.000 0.331 756 W C -0.445 176.201 176.519 0.212 0.000 1.049 756 W CA -0.496 56.922 57.345 0.123 0.000 1.230 756 W CB 2.218 31.777 29.460 0.164 0.000 1.408 756 W HN 0.418 nan 8.180 nan 0.000 0.492 757 Q N 2.946 122.884 119.800 0.231 0.000 2.309 757 Q HA 0.404 4.744 4.340 -0.000 0.000 0.270 757 Q C -1.917 174.099 176.000 0.027 0.000 1.023 757 Q CA -0.455 55.500 55.803 0.253 0.000 0.758 757 Q CB 1.262 30.180 28.738 0.301 0.000 1.247 757 Q HN 0.297 nan 8.270 nan 0.000 0.455 758 F N 2.682 122.707 119.950 0.124 0.000 2.411 758 F HA 0.326 4.853 4.527 -0.000 0.000 0.352 758 F C 0.625 176.452 175.800 0.045 0.000 1.123 758 F CA -0.903 57.137 58.000 0.067 0.000 1.044 758 F CB 1.183 40.222 39.000 0.064 0.000 1.135 758 F HN 0.503 nan 8.300 nan 0.000 0.461 759 N N 3.523 122.315 118.700 0.153 0.000 2.452 759 N HA 0.068 4.808 4.740 -0.000 0.000 0.266 759 N C 0.939 176.459 175.510 0.017 0.000 1.175 759 N CA 0.102 53.196 53.050 0.074 0.000 0.945 759 N CB 0.721 39.258 38.487 0.083 0.000 1.063 759 N HN 0.671 nan 8.380 nan 0.000 0.472 760 R N 2.332 122.769 120.500 -0.105 0.000 2.236 760 R HA -0.066 4.274 4.340 -0.000 0.000 0.208 760 R C 1.566 177.789 176.300 -0.129 0.000 1.036 760 R CA 0.662 56.636 56.100 -0.209 0.000 1.001 760 R CB 0.204 30.251 30.300 -0.422 0.000 0.896 760 R HN 0.684 nan 8.270 nan 0.000 0.464 761 Q N 0.357 120.114 119.800 -0.071 0.000 2.204 761 Q HA -0.064 4.276 4.340 -0.000 0.000 0.198 761 Q C 1.863 177.848 176.000 -0.025 0.000 0.946 761 Q CA 1.481 57.256 55.803 -0.046 0.000 0.859 761 Q CB 0.334 29.061 28.738 -0.019 0.000 0.946 761 Q HN 0.288 nan 8.270 nan 0.000 0.474 762 S N -1.897 113.812 115.700 0.016 0.000 2.456 762 S HA 0.204 4.674 4.470 -0.000 0.000 0.224 762 S C 1.415 175.957 174.600 -0.097 0.000 1.035 762 S CA 0.655 58.892 58.200 0.061 0.000 0.940 762 S CB 0.528 63.868 63.200 0.234 0.000 0.799 762 S HN 0.590 nan 8.310 nan 0.000 0.508 763 G N 0.469 109.221 108.800 -0.081 0.000 2.132 763 G HA2 -0.194 3.766 3.960 -0.000 0.000 0.234 763 G HA3 -0.194 3.766 3.960 -0.000 0.000 0.234 763 G C -0.123 174.707 174.900 -0.116 0.000 0.989 763 G CA 0.183 45.216 45.100 -0.111 0.000 0.676 763 G HN 0.529 nan 8.290 nan 0.000 0.522 764 F N -1.187 118.915 119.950 0.253 0.000 2.556 764 F HA 0.673 5.200 4.527 -0.000 0.000 0.327 764 F C 0.456 176.225 175.800 -0.052 0.000 1.059 764 F CA -1.490 56.601 58.000 0.152 0.000 0.953 764 F CB 1.490 40.551 39.000 0.101 0.000 1.227 764 F HN 0.006 nan 8.300 nan 0.000 0.478 765 L N 2.123 123.311 121.223 -0.059 0.000 2.485 765 L HA 0.163 4.503 4.340 -0.000 0.000 0.279 765 L C 0.986 177.711 176.870 -0.241 0.000 1.124 765 L CA 0.413 54.901 54.840 -0.585 0.000 0.888 765 L CB 0.180 41.837 42.059 -0.670 0.000 1.217 765 L HN 0.697 nan 8.230 nan 0.000 0.464 766 S N 2.515 118.095 115.700 -0.201 0.000 2.503 766 S HA 0.241 4.711 4.470 -0.000 0.000 0.217 766 S C 0.625 175.082 174.600 -0.238 0.000 0.999 766 S CA -0.064 58.059 58.200 -0.128 0.000 0.914 766 S CB 0.079 63.258 63.200 -0.035 0.000 0.782 766 S HN 0.685 nan 8.310 nan 0.000 0.520 767 Q N -0.318 119.268 119.800 -0.356 0.000 2.578 767 Q HA 0.666 5.006 4.340 -0.000 0.000 0.284 767 Q C -2.024 173.555 176.000 -0.703 0.000 0.960 767 Q CA -0.289 55.153 55.803 -0.603 0.000 0.809 767 Q CB 1.696 29.955 28.738 -0.799 0.000 1.462 767 Q HN 0.420 nan 8.270 nan 0.000 0.392 768 M N 1.429 120.490 119.600 -0.899 0.000 2.421 768 M HA 0.539 5.019 4.480 -0.000 0.000 0.287 768 M C -1.577 174.280 176.300 -0.738 0.000 1.183 768 M CA -0.474 54.393 55.300 -0.723 0.000 0.916 768 M CB 2.250 34.464 32.600 -0.644 0.000 1.701 768 M HN 0.486 nan 8.290 nan 0.000 0.470 769 W N 3.551 124.629 121.300 -0.370 0.000 2.785 769 W HA 0.573 5.233 4.660 -0.000 0.000 0.333 769 W C -1.197 175.140 176.519 -0.303 0.000 1.062 769 W CA -0.598 56.587 57.345 -0.268 0.000 1.233 769 W CB 1.629 30.970 29.460 -0.198 0.000 1.413 769 W HN 0.503 nan 8.180 nan 0.000 0.489 770 I N 3.814 124.383 120.570 -0.003 0.000 2.412 770 I HA 0.358 4.528 4.170 -0.000 0.000 0.279 770 I C 0.856 176.964 176.117 -0.015 0.000 1.063 770 I CA 0.314 61.572 61.300 -0.070 0.000 1.193 770 I CB 0.513 38.451 38.000 -0.104 0.000 1.370 770 I HN 0.736 nan 8.210 nan 0.000 0.479 771 G N 6.044 114.833 108.800 -0.019 0.000 2.596 771 G HA2 -0.312 3.648 3.960 -0.000 0.000 0.258 771 G HA3 -0.312 3.648 3.960 -0.000 0.000 0.258 771 G C 0.052 174.947 174.900 -0.009 0.000 1.207 771 G CA 0.453 45.539 45.100 -0.024 0.000 0.954 771 G HN 0.751 nan 8.290 nan 0.000 0.551 772 D N 0.519 120.924 120.400 0.008 0.000 2.593 772 D HA 0.417 5.056 4.640 -0.000 0.000 0.241 772 D C 0.332 176.726 176.300 0.157 0.000 1.257 772 D CA -0.080 53.927 54.000 0.012 0.000 0.828 772 D CB 0.335 41.108 40.800 -0.044 0.000 1.049 772 D HN 0.555 nan 8.370 nan 0.000 0.490 773 K N 1.418 121.933 120.400 0.192 0.000 2.265 773 K HA 0.261 4.581 4.320 -0.000 0.000 0.267 773 K C -0.035 176.641 176.600 0.127 0.000 0.994 773 K CA -0.954 55.419 56.287 0.143 0.000 0.860 773 K CB 1.873 34.394 32.500 0.034 0.000 1.099 773 K HN 0.133 nan 8.250 nan 0.000 0.448 774 K N 2.280 122.696 120.400 0.027 0.000 2.355 774 K HA 0.016 4.336 4.320 -0.000 0.000 0.270 774 K C 0.185 176.637 176.600 -0.247 0.000 1.003 774 K CA -0.104 55.986 56.287 -0.328 0.000 0.957 774 K CB 0.803 33.155 32.500 -0.246 0.000 0.939 774 K HN 0.405 nan 8.250 nan 0.000 0.482 775 Q N 1.514 121.110 119.800 -0.340 0.000 2.378 775 Q HA 0.238 4.578 4.340 -0.000 0.000 0.229 775 Q C 0.181 176.103 176.000 -0.130 0.000 0.882 775 Q CA 0.457 56.175 55.803 -0.142 0.000 0.936 775 Q CB 0.398 29.081 28.738 -0.093 0.000 1.092 775 Q HN 0.623 nan 8.270 nan 0.000 0.535 776 L N 0.350 121.424 121.223 -0.247 0.000 2.333 776 L HA 0.414 4.754 4.340 -0.000 0.000 0.269 776 L C 0.877 177.620 176.870 -0.212 0.000 1.010 776 L CA -0.400 54.313 54.840 -0.212 0.000 0.818 776 L CB 1.665 43.583 42.059 -0.236 0.000 1.306 776 L HN -0.090 nan 8.230 nan 0.000 0.430 777 L N 0.095 121.187 121.223 -0.218 0.000 2.642 777 L HA 0.272 4.612 4.340 -0.000 0.000 0.233 777 L C -0.098 176.659 176.870 -0.189 0.000 1.077 777 L CA 0.563 55.286 54.840 -0.196 0.000 0.879 777 L CB 0.927 42.853 42.059 -0.221 0.000 1.151 777 L HN 0.631 nan 8.230 nan 0.000 0.495 778 T N 0.037 114.450 114.554 -0.236 0.000 2.952 778 T HA 0.373 4.723 4.350 -0.000 0.000 0.305 778 T C -2.612 172.004 174.700 -0.140 0.000 1.064 778 T CA -1.079 60.920 62.100 -0.167 0.000 1.008 778 T CB 2.531 71.271 68.868 -0.213 0.000 1.078 778 T HN -0.288 nan 8.240 nan 0.000 0.459 779 P HA 0.145 nan 4.420 nan 0.000 0.268 779 P C -0.612 176.638 177.300 -0.084 0.000 1.208 779 P CA -0.708 62.349 63.100 -0.072 0.000 0.777 779 P CB 0.421 32.114 31.700 -0.011 0.000 0.875 780 L N 4.078 125.276 121.223 -0.041 0.000 2.385 780 L HA 0.203 4.543 4.340 -0.000 0.000 0.281 780 L C 0.134 176.930 176.870 -0.123 0.000 1.106 780 L CA 0.705 55.552 54.840 0.012 0.000 0.856 780 L CB -0.747 41.412 42.059 0.165 0.000 1.186 780 L HN 0.293 nan 8.230 nan 0.000 0.453 781 R N 2.849 123.190 120.500 -0.264 0.000 2.854 781 R HA 0.477 4.817 4.340 -0.000 0.000 0.271 781 R C -0.891 175.237 176.300 -0.287 0.000 0.994 781 R CA -1.024 54.726 56.100 -0.584 0.000 0.945 781 R CB 1.210 31.084 30.300 -0.710 0.000 1.194 781 R HN 0.524 nan 8.270 nan 0.000 0.476 782 D N 1.110 121.391 120.400 -0.199 0.000 2.382 782 D HA 0.060 4.700 4.640 -0.000 0.000 0.240 782 D C -0.485 175.433 176.300 -0.637 0.000 1.146 782 D CA 0.428 54.193 54.000 -0.391 0.000 0.897 782 D CB 0.706 41.236 40.800 -0.448 0.000 1.197 782 D HN 0.192 nan 8.370 nan 0.000 0.432 783 Q N 1.112 120.340 119.800 -0.953 0.000 2.289 783 Q HA 0.332 4.672 4.340 -0.000 0.000 0.270 783 Q C -1.269 174.026 176.000 -1.175 0.000 1.038 783 Q CA -0.579 54.734 55.803 -0.816 0.000 0.812 783 Q CB 0.866 29.323 28.738 -0.467 0.000 1.300 783 Q HN 0.527 nan 8.270 nan 0.000 0.427 784 F N 0.538 120.076 119.950 -0.687 0.000 2.729 784 F HA 0.200 4.727 4.527 -0.000 0.000 0.315 784 F C 0.536 175.886 175.800 -0.749 0.000 1.102 784 F CA -0.176 57.324 58.000 -0.833 0.000 1.204 784 F CB 1.447 39.620 39.000 -1.378 0.000 1.052 784 F HN 0.401 nan 8.300 nan 0.000 0.551 785 T N -0.809 113.437 114.554 -0.513 0.000 2.907 785 T HA 0.805 5.155 4.350 -0.000 0.000 0.290 785 T C -0.574 173.876 174.700 -0.418 0.000 1.066 785 T CA -0.975 60.755 62.100 -0.618 0.000 1.012 785 T CB 2.829 71.272 68.868 -0.708 0.000 1.184 785 T HN 0.262 nan 8.240 nan 0.000 0.522 786 R N -0.136 120.162 120.500 -0.336 0.000 2.740 786 R HA 0.759 5.099 4.340 -0.000 0.000 0.273 786 R C -0.844 175.486 176.300 0.051 0.000 0.998 786 R CA -1.199 54.823 56.100 -0.129 0.000 0.900 786 R CB 1.498 31.723 30.300 -0.124 0.000 1.223 786 R HN 0.851 nan 8.270 nan 0.000 0.466 787 A N 3.784 126.627 122.820 0.037 0.000 2.522 787 A HA 0.256 4.576 4.320 -0.000 0.000 0.256 787 A C -1.892 175.744 177.584 0.087 0.000 1.086 787 A CA -1.211 50.852 52.037 0.044 0.000 0.763 787 A CB -0.427 18.545 19.000 -0.048 0.000 1.024 787 A HN 0.604 nan 8.150 nan 0.000 0.502 788 P HA 0.041 nan 4.420 nan 0.000 0.261 788 P C -0.343 177.059 177.300 0.170 0.000 1.183 788 P CA 0.577 63.826 63.100 0.248 0.000 0.761 788 P CB 0.343 32.217 31.700 0.290 0.000 0.785 789 L N 2.949 124.245 121.223 0.122 0.000 2.468 789 L HA 0.139 4.479 4.340 -0.000 0.000 0.254 789 L C 1.758 178.667 176.870 0.066 0.000 1.171 789 L CA -0.412 54.440 54.840 0.020 0.000 0.809 789 L CB -0.133 41.863 42.059 -0.104 0.000 1.155 789 L HN 0.225 nan 8.230 nan 0.000 0.473 790 D N -0.112 120.281 120.400 -0.011 0.000 2.149 790 D HA -0.171 4.469 4.640 -0.000 0.000 0.198 790 D C 1.660 177.906 176.300 -0.089 0.000 0.990 790 D CA 1.304 55.240 54.000 -0.107 0.000 0.839 790 D CB -0.065 40.598 40.800 -0.229 0.000 0.948 790 D HN 0.437 nan 8.370 nan 0.000 0.460 791 N N 0.625 119.278 118.700 -0.079 0.000 2.244 791 N HA -0.105 4.635 4.740 -0.000 0.000 0.183 791 N C 1.027 176.550 175.510 0.023 0.000 1.016 791 N CA 0.811 53.832 53.050 -0.049 0.000 0.866 791 N CB -0.142 38.305 38.487 -0.067 0.000 0.980 791 N HN 0.262 nan 8.380 nan 0.000 0.430 792 D N 0.565 120.998 120.400 0.056 0.000 2.183 792 D HA 0.003 4.643 4.640 -0.000 0.000 0.203 792 D C 2.036 178.387 176.300 0.085 0.000 0.969 792 D CA 0.472 54.536 54.000 0.107 0.000 0.842 792 D CB 0.067 41.005 40.800 0.229 0.000 0.957 792 D HN 0.320 nan 8.370 nan 0.000 0.484 793 I N 0.457 121.074 120.570 0.078 0.000 2.333 793 I HA -0.001 4.169 4.170 -0.000 0.000 0.246 793 I C 1.882 178.032 176.117 0.055 0.000 1.106 793 I CA 0.754 62.092 61.300 0.062 0.000 1.411 793 I CB -0.407 37.623 38.000 0.050 0.000 1.082 793 I HN 0.074 nan 8.210 nan 0.000 0.420 794 G N 1.257 110.098 108.800 0.069 0.000 2.556 794 G HA2 -0.348 3.612 3.960 -0.000 0.000 0.283 794 G HA3 -0.348 3.612 3.960 -0.000 0.000 0.283 794 G C 0.657 175.720 174.900 0.272 0.000 1.177 794 G CA 0.824 46.014 45.100 0.150 0.000 0.978 794 G HN 0.544 nan 8.290 nan 0.000 0.554 795 V N -1.962 118.055 119.914 0.171 0.000 3.542 795 V HA 0.636 4.756 4.120 -0.000 0.000 0.296 795 V C 1.258 177.347 176.094 -0.009 0.000 1.364 795 V CA 1.246 63.574 62.300 0.047 0.000 1.118 795 V CB 0.206 31.970 31.823 -0.098 0.000 0.972 795 V HN 1.455 nan 8.190 nan 0.000 0.430 796 S N 1.451 117.160 115.700 0.014 0.000 2.546 796 S HA 0.214 4.684 4.470 -0.000 0.000 0.290 796 S C 0.003 174.600 174.600 -0.005 0.000 1.290 796 S CA 0.190 58.385 58.200 -0.007 0.000 1.069 796 S CB 0.010 63.208 63.200 -0.003 0.000 0.846 796 S HN 0.801 nan 8.310 nan 0.000 0.495 797 E N 1.898 122.088 120.200 -0.017 0.000 2.369 797 E HA 0.542 4.892 4.350 -0.000 0.000 0.270 797 E C 0.761 177.360 176.600 -0.002 0.000 0.909 797 E CA -0.609 55.786 56.400 -0.009 0.000 0.775 797 E CB 1.478 31.162 29.700 -0.026 0.000 1.270 797 E HN 0.615 nan 8.360 nan 0.000 0.445 798 A N 0.858 123.684 122.820 0.011 0.000 1.948 798 A HA -0.230 4.090 4.320 -0.000 0.000 0.220 798 A C 2.066 179.653 177.584 0.006 0.000 1.177 798 A CA 2.716 54.761 52.037 0.014 0.000 0.636 798 A CB -1.066 17.949 19.000 0.024 0.000 0.815 798 A HN 0.739 nan 8.150 nan 0.000 0.449 799 T N -1.192 113.362 114.554 -0.000 0.000 2.809 799 T HA -0.028 4.322 4.350 -0.000 0.000 0.260 799 T C 1.065 175.755 174.700 -0.017 0.000 1.039 799 T CA 0.821 62.917 62.100 -0.007 0.000 1.141 799 T CB -0.257 68.605 68.868 -0.010 0.000 0.869 799 T HN 0.661 nan 8.240 nan 0.000 0.437 800 R N 0.986 121.470 120.500 -0.026 0.000 2.335 800 R HA 0.601 4.941 4.340 -0.000 0.000 0.302 800 R C -1.398 174.881 176.300 -0.035 0.000 1.147 800 R CA -0.811 55.267 56.100 -0.037 0.000 1.111 800 R CB -0.042 30.225 30.300 -0.054 0.000 1.122 800 R HN 0.112 nan 8.270 nan 0.000 0.557 801 I N 2.190 122.743 120.570 -0.027 0.000 2.634 801 I HA 0.004 4.174 4.170 -0.000 0.000 0.284 801 I C 0.319 176.413 176.117 -0.038 0.000 1.124 801 I CA 0.114 61.399 61.300 -0.026 0.000 1.417 801 I CB 0.883 38.872 38.000 -0.018 0.000 1.396 801 I HN 0.527 nan 8.210 nan 0.000 0.571 802 D N 8.385 128.759 120.400 -0.042 0.000 2.485 802 D HA 0.266 4.906 4.640 -0.000 0.000 0.229 802 D C -1.652 174.603 176.300 -0.074 0.000 1.101 802 D CA -2.399 51.568 54.000 -0.055 0.000 0.906 802 D CB 1.229 41.999 40.800 -0.049 0.000 1.019 802 D HN 0.203 nan 8.370 nan 0.000 0.516 803 P HA -0.198 nan 4.420 nan 0.000 0.218 803 P C 0.957 178.166 177.300 -0.151 0.000 1.146 803 P CA 0.827 63.869 63.100 -0.096 0.000 0.820 803 P CB 0.455 32.107 31.700 -0.079 0.000 0.778 804 N N 0.175 118.781 118.700 -0.157 0.000 2.409 804 N HA 0.005 4.745 4.740 -0.000 0.000 0.179 804 N C 0.544 175.870 175.510 -0.307 0.000 1.032 804 N CA 0.303 53.218 53.050 -0.225 0.000 0.898 804 N CB -0.585 37.800 38.487 -0.169 0.000 0.971 804 N HN 0.015 nan 8.380 nan 0.000 0.441 805 A N -0.505 122.184 122.820 -0.219 0.000 2.498 805 A HA 0.046 4.366 4.320 -0.000 0.000 0.239 805 A C 0.706 178.098 177.584 -0.320 0.000 1.068 805 A CA -0.291 51.621 52.037 -0.208 0.000 0.766 805 A CB -0.237 18.710 19.000 -0.089 0.000 1.003 805 A HN 0.547 nan 8.150 nan 0.000 0.497 806 W N 1.706 122.760 121.300 -0.409 0.000 2.321 806 W HA -0.179 4.481 4.660 -0.000 0.000 0.306 806 W C 2.205 178.112 176.519 -1.021 0.000 1.217 806 W CA 1.708 58.547 57.345 -0.844 0.000 1.257 806 W CB -0.276 28.588 29.460 -0.994 0.000 1.145 806 W HN 0.567 nan 8.180 nan 0.000 0.509 807 V N 0.742 120.512 119.914 -0.241 0.000 2.407 807 V HA -0.245 3.875 4.120 -0.000 0.000 0.248 807 V C 2.097 178.265 176.094 0.123 0.000 1.055 807 V CA 2.049 64.425 62.300 0.126 0.000 1.049 807 V CB -0.300 31.647 31.823 0.208 0.000 0.662 807 V HN 0.056 nan 8.190 nan 0.000 0.455 808 E N -0.066 120.119 120.200 -0.025 0.000 2.152 808 E HA -0.126 4.224 4.350 -0.000 0.000 0.192 808 E C 2.350 178.918 176.600 -0.053 0.000 0.983 808 E CA 0.900 57.289 56.400 -0.019 0.000 0.818 808 E CB -0.299 29.366 29.700 -0.059 0.000 0.758 808 E HN 0.597 nan 8.360 nan 0.000 0.467 809 R N -0.283 120.105 120.500 -0.186 0.000 2.092 809 R HA -0.092 4.248 4.340 -0.000 0.000 0.231 809 R C 2.210 178.438 176.300 -0.120 0.000 1.119 809 R CA 1.082 57.047 56.100 -0.224 0.000 0.970 809 R CB -0.107 29.941 30.300 -0.421 0.000 0.864 809 R HN 0.247 nan 8.270 nan 0.000 0.440 810 W N 1.376 122.649 121.300 -0.045 0.000 2.381 810 W HA -0.040 4.620 4.660 -0.000 0.000 0.301 810 W C 1.875 178.375 176.519 -0.033 0.000 1.205 810 W CA 0.604 57.823 57.345 -0.211 0.000 1.285 810 W CB -0.562 28.895 29.460 -0.007 0.000 1.133 810 W HN 0.092 nan 8.180 nan 0.000 0.521 811 K N 0.341 120.968 120.400 0.379 0.000 2.002 811 K HA -0.089 4.231 4.320 -0.000 0.000 0.209 811 K C 2.269 178.934 176.600 0.108 0.000 1.048 811 K CA 1.836 58.301 56.287 0.296 0.000 0.930 811 K CB -0.671 31.946 32.500 0.194 0.000 0.714 811 K HN -0.045 nan 8.250 nan 0.000 0.438 812 A N 1.038 123.891 122.820 0.055 0.000 2.070 812 A HA -0.079 4.241 4.320 -0.000 0.000 0.220 812 A C 2.126 179.716 177.584 0.010 0.000 1.159 812 A CA 1.757 53.811 52.037 0.028 0.000 0.656 812 A CB -0.484 18.520 19.000 0.006 0.000 0.800 812 A HN 0.358 nan 8.150 nan 0.000 0.453 813 A N -2.152 120.650 122.820 -0.029 0.000 2.218 813 A HA 0.425 4.745 4.320 -0.000 0.000 0.209 813 A C 1.805 179.340 177.584 -0.081 0.000 1.168 813 A CA 1.167 53.197 52.037 -0.011 0.000 0.804 813 A CB -0.636 18.326 19.000 -0.064 0.000 0.834 813 A HN 1.805 nan 8.150 nan 0.000 0.482 814 G N -1.392 107.242 108.800 -0.277 0.000 2.157 814 G HA2 -0.309 3.651 3.960 -0.000 0.000 0.248 814 G HA3 -0.309 3.651 3.960 -0.000 0.000 0.248 814 G C 0.662 175.558 174.900 -0.007 0.000 0.979 814 G CA 0.657 45.384 45.100 -0.622 0.000 0.650 814 G HN 0.719 nan 8.290 nan 0.000 0.529 815 H N -1.302 117.752 119.070 -0.027 0.000 2.390 815 H HA -0.150 4.406 4.556 -0.000 0.000 0.298 815 H C 2.216 177.501 175.328 -0.071 0.000 1.106 815 H CA 1.775 57.819 56.048 -0.007 0.000 1.297 815 H CB 0.046 29.753 29.762 -0.091 0.000 1.375 815 H HN 0.638 nan 8.280 nan 0.000 0.509 816 Y N 0.399 120.819 120.300 0.200 0.000 2.420 816 Y HA -0.085 4.465 4.550 -0.000 0.000 0.292 816 Y C 2.312 178.291 175.900 0.133 0.000 1.119 816 Y CA 0.279 58.459 58.100 0.133 0.000 1.229 816 Y CB 0.390 38.915 38.460 0.108 0.000 1.026 816 Y HN 0.175 nan 8.280 nan 0.000 0.554 817 Q N 0.198 120.156 119.800 0.264 0.000 2.376 817 Q HA 0.238 4.578 4.340 -0.000 0.000 0.206 817 Q C 1.006 177.182 176.000 0.293 0.000 0.921 817 Q CA 0.426 56.379 55.803 0.250 0.000 0.911 817 Q CB -0.318 28.567 28.738 0.245 0.000 1.032 817 Q HN 0.284 nan 8.270 nan 0.000 0.510 818 A N 2.419 125.422 122.820 0.305 0.000 2.591 818 A HA -0.073 4.247 4.320 -0.000 0.000 0.244 818 A C -0.120 177.756 177.584 0.486 0.000 1.031 818 A CA 0.618 52.895 52.037 0.399 0.000 0.767 818 A CB -0.096 19.159 19.000 0.425 0.000 0.942 818 A HN 0.165 nan 8.150 nan 0.000 0.514 819 E N 1.169 121.588 120.200 0.365 0.000 2.179 819 E HA 0.501 4.851 4.350 -0.000 0.000 0.275 819 E C -0.034 176.557 176.600 -0.015 0.000 0.945 819 E CA -0.575 55.971 56.400 0.244 0.000 0.792 819 E CB 1.808 31.601 29.700 0.155 0.000 1.125 819 E HN 0.820 nan 8.360 nan 0.000 0.397 820 A N 2.231 124.925 122.820 -0.211 0.000 2.454 820 A HA 0.499 4.819 4.320 -0.000 0.000 0.260 820 A C -0.236 177.172 177.584 -0.294 0.000 1.106 820 A CA -0.160 51.405 52.037 -0.786 0.000 0.780 820 A CB 0.309 19.014 19.000 -0.492 0.000 1.044 820 A HN 0.581 nan 8.150 nan 0.000 0.498 821 A N 2.882 125.514 122.820 -0.313 0.000 2.304 821 A HA 0.574 4.894 4.320 -0.000 0.000 0.314 821 A C -0.429 177.044 177.584 -0.185 0.000 1.187 821 A CA -0.579 51.367 52.037 -0.153 0.000 0.810 821 A CB 0.494 19.431 19.000 -0.105 0.000 1.183 821 A HN 1.224 nan 8.150 nan 0.000 0.487 822 L N 3.265 124.367 121.223 -0.200 0.000 2.410 822 L HA 0.287 4.627 4.340 -0.000 0.000 0.273 822 L C 0.410 177.127 176.870 -0.255 0.000 1.144 822 L CA 0.429 55.045 54.840 -0.372 0.000 0.863 822 L CB 0.172 42.047 42.059 -0.305 0.000 1.140 822 L HN 0.770 nan 8.230 nan 0.000 0.463 823 L N 3.350 124.409 121.223 -0.273 0.000 2.537 823 L HA 0.349 4.689 4.340 -0.000 0.000 0.224 823 L C 0.469 177.265 176.870 -0.122 0.000 1.065 823 L CA 0.008 54.762 54.840 -0.144 0.000 0.860 823 L CB 0.115 42.121 42.059 -0.088 0.000 1.086 823 L HN 0.698 nan 8.230 nan 0.000 0.482 824 Q N -0.457 119.243 119.800 -0.167 0.000 2.479 824 Q HA 0.355 4.695 4.340 -0.000 0.000 0.276 824 Q C -2.084 173.857 176.000 -0.099 0.000 0.989 824 Q CA -0.473 55.273 55.803 -0.096 0.000 0.864 824 Q CB 3.219 31.931 28.738 -0.043 0.000 1.444 824 Q HN 0.058 nan 8.270 nan 0.000 0.388 825 C N 2.898 122.186 119.300 -0.020 0.000 3.044 825 C HA 0.668 5.128 4.460 -0.000 0.000 0.382 825 C C -1.066 174.046 174.990 0.203 0.000 1.071 825 C CA 0.331 59.385 59.018 0.060 0.000 1.296 825 C CB 0.300 28.046 27.740 0.010 0.000 1.730 825 C HN 0.815 nan 8.230 nan 0.000 0.513 826 T N 2.217 116.866 114.554 0.158 0.000 2.906 826 T HA 0.905 5.255 4.350 -0.000 0.000 0.295 826 T C -0.498 174.067 174.700 -0.225 0.000 1.075 826 T CA -0.276 61.880 62.100 0.094 0.000 1.005 826 T CB 1.970 70.842 68.868 0.006 0.000 1.136 826 T HN 1.695 nan 8.240 nan 0.000 0.498 827 A N 1.693 124.160 122.820 -0.590 0.000 2.356 827 A HA 0.737 5.057 4.320 -0.000 0.000 0.310 827 A C -1.145 176.166 177.584 -0.455 0.000 1.075 827 A CA -0.754 50.808 52.037 -0.792 0.000 0.746 827 A CB 1.101 19.126 19.000 -1.626 0.000 1.221 827 A HN 0.855 nan 8.150 nan 0.000 0.443 828 D N 1.185 121.391 120.400 -0.324 0.000 2.619 828 D HA 0.482 5.122 4.640 -0.000 0.000 0.241 828 D C -0.869 175.315 176.300 -0.194 0.000 1.087 828 D CA 0.010 53.883 54.000 -0.212 0.000 0.851 828 D CB 2.269 42.983 40.800 -0.144 0.000 1.474 828 D HN 0.377 nan 8.370 nan 0.000 0.478 829 T N 1.976 116.439 114.554 -0.153 0.000 2.749 829 T HA 0.427 4.777 4.350 -0.000 0.000 0.287 829 T C 0.593 175.240 174.700 -0.089 0.000 0.970 829 T CA -0.430 61.593 62.100 -0.128 0.000 0.980 829 T CB 0.685 69.482 68.868 -0.118 0.000 0.924 829 T HN 0.076 nan 8.240 nan 0.000 0.456 830 L N 1.630 122.805 121.223 -0.079 0.000 2.397 830 L HA 0.561 4.901 4.340 -0.000 0.000 0.266 830 L C 2.014 178.860 176.870 -0.041 0.000 1.040 830 L CA -1.056 53.751 54.840 -0.056 0.000 0.800 830 L CB 0.307 42.334 42.059 -0.055 0.000 1.324 830 L HN 0.691 nan 8.230 nan 0.000 0.469 831 A N 0.678 123.479 122.820 -0.031 0.000 1.873 831 A HA -0.194 4.126 4.320 -0.000 0.000 0.218 831 A C 1.114 178.687 177.584 -0.019 0.000 1.193 831 A CA 2.221 54.245 52.037 -0.022 0.000 0.629 831 A CB -0.488 18.500 19.000 -0.020 0.000 0.826 831 A HN 0.896 nan 8.150 nan 0.000 0.447 832 D N -2.152 118.234 120.400 -0.022 0.000 2.696 832 D HA 0.564 5.204 4.640 -0.000 0.000 0.269 832 D C -0.134 176.152 176.300 -0.024 0.000 1.319 832 D CA 0.649 54.639 54.000 -0.017 0.000 0.826 832 D CB -0.081 40.709 40.800 -0.017 0.000 1.086 832 D HN 0.575 nan 8.370 nan 0.000 0.481 833 A N -0.671 122.126 122.820 -0.039 0.000 2.544 833 A HA 0.550 4.870 4.320 -0.000 0.000 0.291 833 A C -1.832 175.698 177.584 -0.090 0.000 1.055 833 A CA -0.707 51.292 52.037 -0.063 0.000 0.651 833 A CB 1.354 20.316 19.000 -0.064 0.000 1.296 833 A HN 0.016 nan 8.150 nan 0.000 0.431 834 V N 0.706 120.544 119.914 -0.126 0.000 2.459 834 V HA 0.635 4.755 4.120 -0.000 0.000 0.295 834 V C -0.907 175.078 176.094 -0.181 0.000 1.029 834 V CA -0.438 61.763 62.300 -0.166 0.000 0.874 834 V CB 1.400 33.109 31.823 -0.190 0.000 0.985 834 V HN 0.859 nan 8.190 nan 0.000 0.438 835 L N 6.577 127.687 121.223 -0.189 0.000 2.316 835 L HA 0.600 4.939 4.340 -0.000 0.000 0.280 835 L C -0.724 176.011 176.870 -0.224 0.000 1.006 835 L CA 0.008 54.750 54.840 -0.164 0.000 0.836 835 L CB 1.113 43.106 42.059 -0.110 0.000 1.221 835 L HN 0.405 nan 8.230 nan 0.000 0.418 836 I N 4.366 124.794 120.570 -0.236 0.000 2.321 836 I HA 0.340 4.510 4.170 -0.000 0.000 0.291 836 I C 0.032 176.129 176.117 -0.033 0.000 0.998 836 I CA -0.129 60.989 61.300 -0.304 0.000 1.227 836 I CB 1.192 38.731 38.000 -0.768 0.000 1.368 836 I HN 0.547 nan 8.210 nan 0.000 0.466 837 T N 5.303 119.841 114.554 -0.026 0.000 2.779 837 T HA 0.609 4.959 4.350 -0.000 0.000 0.280 837 T C 0.371 175.128 174.700 0.095 0.000 0.987 837 T CA -0.529 61.605 62.100 0.057 0.000 0.966 837 T CB 1.647 70.523 68.868 0.014 0.000 0.933 837 T HN 0.761 nan 8.240 nan 0.000 0.442 838 T N -0.598 114.055 114.554 0.165 0.000 2.901 838 T HA 0.882 5.232 4.350 -0.000 0.000 0.293 838 T C -1.211 173.561 174.700 0.120 0.000 1.084 838 T CA -1.123 61.060 62.100 0.138 0.000 1.008 838 T CB 2.055 71.096 68.868 0.288 0.000 1.170 838 T HN 0.823 nan 8.240 nan 0.000 0.509 839 A N 1.311 124.119 122.820 -0.019 0.000 2.491 839 A HA 0.707 5.027 4.320 -0.000 0.000 0.293 839 A C -1.529 175.951 177.584 -0.174 0.000 1.047 839 A CA -0.788 51.271 52.037 0.037 0.000 0.735 839 A CB 0.748 19.761 19.000 0.021 0.000 1.281 839 A HN 0.997 nan 8.150 nan 0.000 0.398 840 H N 0.199 119.305 119.070 0.061 0.000 2.797 840 H HA 0.843 5.399 4.556 -0.000 0.000 0.372 840 H C -0.030 175.289 175.328 -0.015 0.000 1.168 840 H CA 0.203 56.190 56.048 -0.101 0.000 1.163 840 H CB 2.159 31.726 29.762 -0.326 0.000 1.778 840 H HN 1.047 nan 8.280 nan 0.000 0.551 841 A N 1.528 124.326 122.820 -0.037 0.000 2.359 841 A HA 0.386 4.706 4.320 -0.000 0.000 0.303 841 A C -1.481 176.078 177.584 -0.041 0.000 1.066 841 A CA -0.700 51.380 52.037 0.072 0.000 0.730 841 A CB 1.054 20.077 19.000 0.038 0.000 1.211 841 A HN 0.549 nan 8.150 nan 0.000 0.439 842 W N 2.378 123.769 121.300 0.151 0.000 2.349 842 W HA 0.431 5.091 4.660 -0.000 0.000 0.309 842 W C -0.241 176.281 176.519 0.005 0.000 1.083 842 W CA -0.068 57.358 57.345 0.136 0.000 1.224 842 W CB 1.589 31.189 29.460 0.234 0.000 1.256 842 W HN 0.757 nan 8.180 nan 0.000 0.461 843 Q N 1.208 121.118 119.800 0.183 0.000 2.458 843 Q HA 0.385 4.725 4.340 -0.000 0.000 0.282 843 Q C -1.322 174.794 176.000 0.194 0.000 1.106 843 Q CA -1.034 54.840 55.803 0.119 0.000 0.814 843 Q CB 3.298 32.073 28.738 0.062 0.000 1.425 843 Q HN 0.385 nan 8.270 nan 0.000 0.437 844 H N 0.529 119.628 119.070 0.047 0.000 3.181 844 H HA 0.142 4.698 4.556 -0.000 0.000 0.331 844 H C -1.359 173.997 175.328 0.047 0.000 0.988 844 H CA -0.135 55.953 56.048 0.067 0.000 1.449 844 H CB 0.584 30.397 29.762 0.085 0.000 1.749 844 H HN 0.674 nan 8.280 nan 0.000 0.501 845 Q N 3.887 123.486 119.800 -0.336 0.000 2.452 845 Q HA -0.244 4.096 4.340 -0.000 0.000 0.318 845 Q C 1.056 177.002 176.000 -0.091 0.000 1.386 845 Q CA 1.106 56.762 55.803 -0.245 0.000 0.872 845 Q CB -1.585 26.952 28.738 -0.334 0.000 1.151 845 Q HN 1.298 nan 8.270 nan 0.000 0.417 846 G N -0.574 108.198 108.800 -0.047 0.000 2.267 846 G HA2 -0.396 3.564 3.960 -0.000 0.000 0.257 846 G HA3 -0.396 3.564 3.960 -0.000 0.000 0.257 846 G C 0.167 175.067 174.900 0.000 0.000 0.998 846 G CA 0.610 45.700 45.100 -0.017 0.000 0.620 846 G HN 0.386 nan 8.290 nan 0.000 0.529 847 K N 1.920 122.327 120.400 0.011 0.000 2.234 847 K HA 0.608 4.928 4.320 -0.000 0.000 0.282 847 K C -0.008 176.598 176.600 0.010 0.000 1.039 847 K CA 0.055 56.353 56.287 0.018 0.000 0.928 847 K CB 0.748 33.271 32.500 0.038 0.000 1.039 847 K HN 0.018 nan 8.250 nan 0.000 0.470 848 T N 6.605 121.155 114.554 -0.007 0.000 2.739 848 T HA 0.216 4.566 4.350 -0.000 0.000 0.298 848 T C 1.142 175.773 174.700 -0.114 0.000 0.929 848 T CA -0.390 61.697 62.100 -0.022 0.000 1.014 848 T CB 0.208 69.082 68.868 0.011 0.000 0.914 848 T HN 0.535 nan 8.240 nan 0.000 0.509 849 L N 2.441 123.497 121.223 -0.277 0.000 2.049 849 L HA 0.259 4.599 4.340 -0.000 0.000 0.203 849 L C -0.064 176.285 176.870 -0.869 0.000 1.074 849 L CA 1.034 55.426 54.840 -0.747 0.000 0.749 849 L CB -0.043 41.211 42.059 -1.341 0.000 0.907 849 L HN 0.482 nan 8.230 nan 0.000 0.439 850 F N -1.284 118.616 119.950 -0.083 0.000 2.613 850 F HA 0.607 5.134 4.527 -0.000 0.000 0.314 850 F C -0.427 175.470 175.800 0.161 0.000 1.075 850 F CA -1.055 56.860 58.000 -0.142 0.000 0.945 850 F CB 1.528 40.059 39.000 -0.781 0.000 1.310 850 F HN -0.319 nan 8.300 nan 0.000 0.467 851 I N 1.299 122.104 120.570 0.392 0.000 2.499 851 I HA 0.395 4.565 4.170 -0.000 0.000 0.288 851 I C -0.901 175.492 176.117 0.459 0.000 1.048 851 I CA -0.542 60.999 61.300 0.401 0.000 1.062 851 I CB 2.230 40.377 38.000 0.245 0.000 1.238 851 I HN 0.566 nan 8.210 nan 0.000 0.426 852 S N 6.723 122.778 115.700 0.592 0.000 2.552 852 S HA 0.576 5.046 4.470 -0.000 0.000 0.314 852 S C -0.735 174.111 174.600 0.409 0.000 1.099 852 S CA -0.674 57.855 58.200 0.547 0.000 1.070 852 S CB 0.752 64.421 63.200 0.783 0.000 0.998 852 S HN 0.551 nan 8.310 nan 0.000 0.474 853 R N 3.669 124.335 120.500 0.277 0.000 2.393 853 R HA 0.534 4.874 4.340 -0.000 0.000 0.315 853 R C -0.694 175.692 176.300 0.143 0.000 0.952 853 R CA -0.741 55.479 56.100 0.201 0.000 0.842 853 R CB 1.793 32.182 30.300 0.149 0.000 1.163 853 R HN 0.558 nan 8.270 nan 0.000 0.450 854 K N 0.784 121.271 120.400 0.145 0.000 2.395 854 K HA 0.540 4.860 4.320 -0.000 0.000 0.245 854 K C -0.723 175.895 176.600 0.029 0.000 1.017 854 K CA -0.971 55.333 56.287 0.028 0.000 0.852 854 K CB 2.451 34.944 32.500 -0.012 0.000 1.311 854 K HN 0.596 nan 8.250 nan 0.000 0.452 855 T N -1.336 113.157 114.554 -0.100 0.000 2.971 855 T HA 0.457 4.806 4.350 -0.000 0.000 0.304 855 T C -1.394 173.236 174.700 -0.116 0.000 1.038 855 T CA -0.796 61.293 62.100 -0.018 0.000 1.007 855 T CB 0.293 69.156 68.868 -0.007 0.000 1.055 855 T HN 0.381 nan 8.240 nan 0.000 0.451 856 Y N 1.410 121.702 120.300 -0.014 0.000 2.334 856 Y HA 0.614 5.164 4.550 -0.000 0.000 0.336 856 Y C 0.615 176.455 175.900 -0.099 0.000 0.960 856 Y CA -1.153 56.947 58.100 0.002 0.000 1.164 856 Y CB 1.575 40.089 38.460 0.089 0.000 1.155 856 Y HN 0.629 nan 8.280 nan 0.000 0.478 857 R N 4.545 125.067 120.500 0.037 0.000 2.288 857 R HA 0.613 4.953 4.340 -0.000 0.000 0.326 857 R C -1.481 174.763 176.300 -0.093 0.000 0.959 857 R CA -0.378 55.697 56.100 -0.041 0.000 0.834 857 R CB 0.460 30.744 30.300 -0.027 0.000 1.157 857 R HN 0.754 nan 8.270 nan 0.000 0.470 858 I N 5.169 125.625 120.570 -0.190 0.000 2.328 858 I HA 0.201 4.371 4.170 -0.000 0.000 0.287 858 I C -0.285 175.713 176.117 -0.199 0.000 1.012 858 I CA -0.822 60.287 61.300 -0.319 0.000 1.195 858 I CB 1.402 39.004 38.000 -0.662 0.000 1.350 858 I HN 0.681 nan 8.210 nan 0.000 0.464 859 D N 4.117 124.446 120.400 -0.118 0.000 2.529 859 D HA 0.285 4.925 4.640 -0.000 0.000 0.273 859 D C 1.406 177.701 176.300 -0.009 0.000 1.197 859 D CA -0.651 53.319 54.000 -0.050 0.000 1.070 859 D CB 0.651 41.440 40.800 -0.018 0.000 1.134 859 D HN 0.431 nan 8.370 nan 0.000 0.590 860 G N -1.152 107.659 108.800 0.018 0.000 2.448 860 G HA2 -0.230 3.730 3.960 -0.000 0.000 0.219 860 G HA3 -0.230 3.730 3.960 -0.000 0.000 0.219 860 G C 1.242 176.188 174.900 0.076 0.000 1.127 860 G CA 1.058 46.190 45.100 0.053 0.000 0.766 860 G HN 0.559 nan 8.290 nan 0.000 0.552 861 S N -0.461 115.279 115.700 0.067 0.000 2.603 861 S HA 0.353 4.823 4.470 -0.000 0.000 0.220 861 S C 1.791 176.459 174.600 0.114 0.000 0.967 861 S CA 0.874 59.124 58.200 0.083 0.000 0.920 861 S CB -0.212 63.029 63.200 0.069 0.000 0.773 861 S HN 1.500 nan 8.310 nan 0.000 0.529 862 G N 0.476 109.358 108.800 0.135 0.000 2.153 862 G HA2 -0.251 3.709 3.960 -0.000 0.000 0.252 862 G HA3 -0.251 3.709 3.960 -0.000 0.000 0.252 862 G C -0.252 174.788 174.900 0.234 0.000 0.994 862 G CA 0.174 45.423 45.100 0.249 0.000 0.698 862 G HN 0.623 nan 8.290 nan 0.000 0.521 863 Q N -0.735 119.133 119.800 0.113 0.000 2.256 863 Q HA 0.643 4.983 4.340 -0.000 0.000 0.257 863 Q C 0.203 176.222 176.000 0.031 0.000 0.936 863 Q CA -0.526 55.347 55.803 0.117 0.000 0.903 863 Q CB 1.635 30.436 28.738 0.106 0.000 1.263 863 Q HN 0.426 nan 8.270 nan 0.000 0.440 864 M N 2.297 121.951 119.600 0.092 0.000 2.047 864 M HA 0.489 4.969 4.480 -0.000 0.000 0.342 864 M C -1.259 175.127 176.300 0.144 0.000 1.058 864 M CA -0.465 54.860 55.300 0.042 0.000 0.991 864 M CB 0.751 33.381 32.600 0.051 0.000 1.474 864 M HN 0.683 nan 8.290 nan 0.000 0.419 865 A N 7.094 129.965 122.820 0.084 0.000 2.269 865 A HA 0.600 4.920 4.320 -0.000 0.000 0.302 865 A C -0.630 176.980 177.584 0.045 0.000 1.266 865 A CA -0.554 51.534 52.037 0.085 0.000 0.894 865 A CB -0.101 18.933 19.000 0.056 0.000 1.147 865 A HN 0.926 nan 8.150 nan 0.000 0.537 866 I N 2.709 123.297 120.570 0.029 0.000 2.339 866 I HA 0.289 4.459 4.170 -0.000 0.000 0.290 866 I C -0.088 175.929 176.117 -0.167 0.000 0.994 866 I CA -0.130 61.085 61.300 -0.140 0.000 1.191 866 I CB 1.887 39.821 38.000 -0.111 0.000 1.343 866 I HN 0.494 nan 8.210 nan 0.000 0.458 867 T N 5.889 120.311 114.554 -0.220 0.000 2.779 867 T HA 0.540 4.890 4.350 -0.000 0.000 0.280 867 T C -0.242 174.281 174.700 -0.295 0.000 0.987 867 T CA -0.502 61.479 62.100 -0.199 0.000 0.966 867 T CB 1.756 70.603 68.868 -0.035 0.000 0.933 867 T HN 0.208 nan 8.240 nan 0.000 0.442 868 V N 3.584 123.192 119.914 -0.509 0.000 2.588 868 V HA 0.493 4.613 4.120 -0.000 0.000 0.304 868 V C -0.742 175.177 176.094 -0.291 0.000 1.042 868 V CA -0.902 61.102 62.300 -0.494 0.000 0.877 868 V CB 2.036 33.260 31.823 -0.999 0.000 0.996 868 V HN 0.864 nan 8.190 nan 0.000 0.425 869 D N 3.406 123.807 120.400 0.001 0.000 2.620 869 D HA 0.506 5.146 4.640 -0.000 0.000 0.252 869 D C -1.046 175.378 176.300 0.207 0.000 1.207 869 D CA -0.113 53.986 54.000 0.165 0.000 0.884 869 D CB 2.777 43.697 40.800 0.200 0.000 1.262 869 D HN 0.260 nan 8.370 nan 0.000 0.552 870 V N 2.138 122.214 119.914 0.269 0.000 2.581 870 V HA 0.320 4.440 4.120 -0.000 0.000 0.303 870 V C 0.097 176.359 176.094 0.280 0.000 1.041 870 V CA -0.707 61.780 62.300 0.311 0.000 0.907 870 V CB 2.496 34.548 31.823 0.382 0.000 0.994 870 V HN 0.366 nan 8.190 nan 0.000 0.442 871 E N 2.258 122.613 120.200 0.259 0.000 2.171 871 E HA 0.630 4.980 4.350 -0.000 0.000 0.271 871 E C -1.543 175.198 176.600 0.235 0.000 0.916 871 E CA -0.553 55.975 56.400 0.213 0.000 0.774 871 E CB 2.480 32.280 29.700 0.168 0.000 1.128 871 E HN 0.423 nan 8.360 nan 0.000 0.403 872 V N 2.266 122.320 119.914 0.232 0.000 2.444 872 V HA 0.369 4.489 4.120 -0.000 0.000 0.294 872 V C 0.052 176.251 176.094 0.175 0.000 1.022 872 V CA -0.959 61.496 62.300 0.260 0.000 0.850 872 V CB 1.483 33.503 31.823 0.328 0.000 0.992 872 V HN 0.838 nan 8.190 nan 0.000 0.426 873 A N 3.555 126.433 122.820 0.097 0.000 2.566 873 A HA 0.252 4.572 4.320 -0.000 0.000 0.245 873 A C 1.630 179.288 177.584 0.122 0.000 1.056 873 A CA 0.623 52.703 52.037 0.072 0.000 0.757 873 A CB 0.194 19.199 19.000 0.009 0.000 0.979 873 A HN 1.381 nan 8.150 nan 0.000 0.508 874 S N 1.430 117.200 115.700 0.116 0.000 2.440 874 S HA -0.162 4.308 4.470 -0.000 0.000 0.238 874 S C 0.870 175.546 174.600 0.128 0.000 1.010 874 S CA 1.333 59.618 58.200 0.142 0.000 0.972 874 S CB -0.253 63.010 63.200 0.105 0.000 0.774 874 S HN 0.828 nan 8.310 nan 0.000 0.501 875 D N 0.082 120.533 120.400 0.085 0.000 2.363 875 D HA 0.118 4.758 4.640 -0.000 0.000 0.214 875 D C 0.389 176.718 176.300 0.049 0.000 1.093 875 D CA -0.025 54.007 54.000 0.054 0.000 0.837 875 D CB -0.205 40.616 40.800 0.035 0.000 0.948 875 D HN 0.305 nan 8.370 nan 0.000 0.507 876 T N 1.991 116.600 114.554 0.091 0.000 2.907 876 T HA 0.361 4.711 4.350 -0.000 0.000 0.284 876 T C -2.619 172.180 174.700 0.166 0.000 1.004 876 T CA -1.893 60.290 62.100 0.137 0.000 1.063 876 T CB 1.508 70.487 68.868 0.185 0.000 0.992 876 T HN -0.119 nan 8.240 nan 0.000 0.483 877 P HA 0.055 nan 4.420 nan 0.000 0.265 877 P C -0.430 177.162 177.300 0.487 0.000 1.193 877 P CA -0.193 62.991 63.100 0.140 0.000 0.765 877 P CB 0.205 31.953 31.700 0.080 0.000 0.823 878 H N 3.511 122.948 119.070 0.611 0.000 3.140 878 H HA 0.018 4.574 4.556 -0.000 0.000 0.316 878 H C -1.640 174.025 175.328 0.562 0.000 0.986 878 H CA -1.208 55.144 56.048 0.506 0.000 1.397 878 H CB -0.888 29.114 29.762 0.399 0.000 1.377 878 H HN 0.393 nan 8.280 nan 0.000 0.585 879 P HA 0.035 nan 4.420 nan 0.000 0.271 879 P C 0.352 177.538 177.300 -0.191 0.000 1.218 879 P CA -0.193 62.954 63.100 0.080 0.000 0.780 879 P CB 0.794 32.413 31.700 -0.136 0.000 0.901 880 A N 3.824 126.266 122.820 -0.630 0.000 2.015 880 A HA -0.101 4.219 4.320 -0.000 0.000 0.219 880 A C 1.078 178.260 177.584 -0.672 0.000 1.163 880 A CA 1.257 52.870 52.037 -0.707 0.000 0.646 880 A CB -0.518 17.793 19.000 -1.150 0.000 0.806 880 A HN 0.767 nan 8.150 nan 0.000 0.448 881 R N -2.972 117.175 120.500 -0.589 0.000 2.712 881 R HA 0.726 5.066 4.340 -0.000 0.000 0.272 881 R C -1.628 174.404 176.300 -0.447 0.000 1.032 881 R CA -0.783 54.991 56.100 -0.543 0.000 0.874 881 R CB 0.763 30.711 30.300 -0.586 0.000 1.256 881 R HN -0.015 nan 8.270 nan 0.000 0.468 882 I N 1.173 121.513 120.570 -0.383 0.000 2.560 882 I HA 0.642 4.812 4.170 -0.000 0.000 0.278 882 I C -0.465 175.399 176.117 -0.421 0.000 1.089 882 I CA -0.317 60.759 61.300 -0.372 0.000 1.086 882 I CB 1.761 39.641 38.000 -0.201 0.000 1.202 882 I HN 0.989 nan 8.210 nan 0.000 0.471 883 G N 5.629 114.099 108.800 -0.550 0.000 2.578 883 G HA2 0.685 4.645 3.960 -0.000 0.000 0.302 883 G HA3 0.685 4.645 3.960 -0.000 0.000 0.302 883 G C -1.675 173.011 174.900 -0.357 0.000 1.243 883 G CA -0.592 44.225 45.100 -0.472 0.000 0.843 883 G HN 0.232 nan 8.290 nan 0.000 0.486 884 L N 0.959 122.027 121.223 -0.257 0.000 2.301 884 L HA 0.686 5.026 4.340 -0.000 0.000 0.264 884 L C -0.590 176.155 176.870 -0.208 0.000 1.016 884 L CA -1.130 53.599 54.840 -0.184 0.000 0.821 884 L CB 2.326 44.358 42.059 -0.044 0.000 1.346 884 L HN 0.823 nan 8.230 nan 0.000 0.429 885 N N 0.525 119.138 118.700 -0.144 0.000 2.591 885 N HA 0.663 5.403 4.740 -0.000 0.000 0.263 885 N C -1.343 174.166 175.510 -0.003 0.000 1.308 885 N CA -0.487 52.515 53.050 -0.079 0.000 0.837 885 N CB 2.433 40.892 38.487 -0.046 0.000 1.548 885 N HN 0.888 nan 8.380 nan 0.000 0.493 886 C N -1.202 118.119 119.300 0.035 0.000 3.253 886 C HA 0.529 4.989 4.460 -0.000 0.000 0.342 886 C C -1.275 173.505 174.990 -0.351 0.000 1.306 886 C CA -0.879 58.092 59.018 -0.077 0.000 1.207 886 C CB 0.881 28.600 27.740 -0.035 0.000 1.479 886 C HN 0.888 nan 8.230 nan 0.000 0.469 887 Q N 1.414 120.765 119.800 -0.749 0.000 2.372 887 Q HA 0.686 5.026 4.340 -0.000 0.000 0.259 887 Q C -1.037 174.663 176.000 -0.501 0.000 0.993 887 Q CA -0.465 54.674 55.803 -1.108 0.000 0.854 887 Q CB 0.823 28.526 28.738 -1.725 0.000 1.231 887 Q HN 0.753 nan 8.270 nan 0.000 0.462 888 L N 2.851 123.893 121.223 -0.301 0.000 2.395 888 L HA 0.321 4.661 4.340 -0.000 0.000 0.269 888 L C 1.132 177.951 176.870 -0.085 0.000 1.133 888 L CA -0.255 54.538 54.840 -0.078 0.000 0.812 888 L CB 0.949 43.079 42.059 0.119 0.000 1.125 888 L HN 0.838 nan 8.230 nan 0.000 0.452 889 A N 1.893 124.688 122.820 -0.042 0.000 1.968 889 A HA -0.103 4.217 4.320 -0.000 0.000 0.217 889 A C 1.143 178.724 177.584 -0.006 0.000 1.169 889 A CA 0.536 52.543 52.037 -0.050 0.000 0.638 889 A CB -0.261 18.705 19.000 -0.057 0.000 0.812 889 A HN 0.766 nan 8.150 nan 0.000 0.446 890 Q N 0.082 119.913 119.800 0.053 0.000 2.361 890 Q HA 0.351 4.691 4.340 -0.000 0.000 0.276 890 Q C -1.092 174.936 176.000 0.047 0.000 1.022 890 Q CA 0.655 56.473 55.803 0.025 0.000 0.898 890 Q CB 0.641 29.402 28.738 0.038 0.000 1.246 890 Q HN 0.151 nan 8.270 nan 0.000 0.410 891 V N 4.006 123.903 119.914 -0.027 0.000 2.439 891 V HA 0.701 4.821 4.120 -0.000 0.000 0.277 891 V C -0.484 175.573 176.094 -0.062 0.000 1.008 891 V CA -0.272 62.050 62.300 0.036 0.000 0.846 891 V CB 0.815 32.652 31.823 0.024 0.000 1.031 891 V HN 0.912 nan 8.190 nan 0.000 0.441 892 A N 3.090 125.806 122.820 -0.174 0.000 2.269 892 A HA 0.748 5.068 4.320 -0.000 0.000 0.327 892 A C 0.787 178.401 177.584 0.049 0.000 1.112 892 A CA -0.418 51.501 52.037 -0.196 0.000 0.865 892 A CB 0.976 19.652 19.000 -0.539 0.000 1.227 892 A HN 0.764 nan 8.150 nan 0.000 0.498 893 E N -0.170 120.051 120.200 0.035 0.000 2.170 893 E HA 0.003 4.353 4.350 -0.000 0.000 0.191 893 E C 0.089 176.768 176.600 0.132 0.000 0.981 893 E CA 0.524 56.970 56.400 0.077 0.000 0.830 893 E CB 0.141 29.866 29.700 0.040 0.000 0.775 893 E HN 0.413 nan 8.360 nan 0.000 0.470 894 R N 0.514 121.105 120.500 0.151 0.000 2.873 894 R HA 0.554 4.894 4.340 -0.000 0.000 0.264 894 R C -0.743 175.751 176.300 0.324 0.000 1.026 894 R CA -0.888 55.330 56.100 0.198 0.000 1.002 894 R CB 1.857 32.237 30.300 0.134 0.000 1.174 894 R HN -0.167 nan 8.270 nan 0.000 0.488 895 V N 1.986 122.094 119.914 0.324 0.000 2.482 895 V HA 0.311 4.431 4.120 -0.000 0.000 0.295 895 V C -0.440 175.922 176.094 0.448 0.000 1.026 895 V CA -0.931 61.600 62.300 0.385 0.000 0.856 895 V CB 1.841 33.842 31.823 0.297 0.000 1.001 895 V HN 0.641 nan 8.190 nan 0.000 0.424 896 N N 4.613 123.541 118.700 0.380 0.000 2.342 896 N HA 0.568 5.308 4.740 -0.000 0.000 0.293 896 N C -1.387 174.351 175.510 0.380 0.000 1.026 896 N CA -0.385 52.840 53.050 0.291 0.000 0.857 896 N CB 2.608 41.174 38.487 0.132 0.000 1.256 896 N HN 0.791 nan 8.380 nan 0.000 0.484 897 W N 3.366 124.696 121.300 0.050 0.000 3.296 897 W HA 0.498 5.158 4.660 -0.000 0.000 0.314 897 W C -2.136 174.349 176.519 -0.056 0.000 1.238 897 W CA -1.102 56.248 57.345 0.009 0.000 1.193 897 W CB 0.480 29.965 29.460 0.041 0.000 1.383 897 W HN 0.229 nan 8.180 nan 0.000 0.545 898 L N 4.978 126.172 121.223 -0.048 0.000 2.287 898 L HA 0.899 5.239 4.340 -0.000 0.000 0.280 898 L C 0.018 176.759 176.870 -0.215 0.000 1.055 898 L CA 0.455 55.092 54.840 -0.339 0.000 0.863 898 L CB 0.295 42.224 42.059 -0.217 0.000 1.245 898 L HN 0.957 nan 8.230 nan 0.000 0.432 899 G N 3.744 112.359 108.800 -0.307 0.000 2.435 899 G HA2 0.257 4.217 3.960 -0.000 0.000 0.296 899 G HA3 0.257 4.217 3.960 -0.000 0.000 0.296 899 G C -1.558 173.446 174.900 0.173 0.000 1.240 899 G CA -1.008 44.134 45.100 0.070 0.000 0.872 899 G HN 0.361 nan 8.290 nan 0.000 0.480 900 L N 1.243 122.662 121.223 0.327 0.000 2.319 900 L HA 0.616 4.956 4.340 -0.000 0.000 0.280 900 L C 0.983 177.969 176.870 0.193 0.000 1.099 900 L CA 0.518 55.492 54.840 0.224 0.000 0.828 900 L CB 0.600 42.727 42.059 0.113 0.000 1.150 900 L HN 1.025 nan 8.230 nan 0.000 0.442 901 G N 3.127 111.824 108.800 -0.171 0.000 2.494 901 G HA2 0.302 4.262 3.960 -0.000 0.000 0.308 901 G HA3 0.302 4.262 3.960 -0.000 0.000 0.308 901 G C -2.696 171.370 174.900 -1.390 0.000 1.263 901 G CA -0.237 44.406 45.100 -0.762 0.000 0.840 901 G HN 0.327 nan 8.290 nan 0.000 0.479 902 P HA 0.076 nan 4.420 nan 0.000 0.235 902 P C 0.344 177.465 177.300 -0.298 0.000 1.177 902 P CA 0.548 63.040 63.100 -1.013 0.000 0.785 902 P CB 0.562 31.762 31.700 -0.833 0.000 0.885 903 Q N 0.660 120.261 119.800 -0.331 0.000 2.317 903 Q HA 0.146 4.485 4.340 -0.000 0.000 0.229 903 Q C 0.427 176.309 176.000 -0.198 0.000 0.984 903 Q CA -0.557 55.125 55.803 -0.202 0.000 0.911 903 Q CB 0.737 29.374 28.738 -0.169 0.000 1.217 903 Q HN 0.148 nan 8.270 nan 0.000 0.501 904 E N 1.539 121.628 120.200 -0.185 0.000 2.502 904 E HA -0.112 4.238 4.350 -0.000 0.000 0.261 904 E C -1.156 175.354 176.600 -0.151 0.000 0.974 904 E CA 0.267 56.543 56.400 -0.206 0.000 0.936 904 E CB 0.240 29.874 29.700 -0.109 0.000 0.926 904 E HN 0.613 nan 8.360 nan 0.000 0.459 905 N N 2.847 121.390 118.700 -0.262 0.000 2.371 905 N HA 0.263 5.003 4.740 -0.000 0.000 0.280 905 N C -1.919 173.376 175.510 -0.358 0.000 1.084 905 N CA -0.668 52.281 53.050 -0.168 0.000 0.892 905 N CB 0.653 39.057 38.487 -0.139 0.000 1.653 905 N HN 0.228 nan 8.380 nan 0.000 0.480 906 Y N 0.870 121.076 120.300 -0.156 0.000 2.567 906 Y HA 0.495 5.045 4.550 -0.000 0.000 0.333 906 Y C -1.506 174.329 175.900 -0.108 0.000 1.106 906 Y CA -2.033 55.967 58.100 -0.166 0.000 1.157 906 Y CB 1.628 39.988 38.460 -0.167 0.000 1.277 906 Y HN 0.454 nan 8.280 nan 0.000 0.490 907 P HA -0.234 nan 4.420 nan 0.000 0.217 907 P C 0.418 177.682 177.300 -0.060 0.000 1.158 907 P CA 2.367 65.539 63.100 0.119 0.000 0.887 907 P CB 0.175 32.043 31.700 0.279 0.000 0.792 908 D N -2.482 117.646 120.400 -0.453 0.000 2.342 908 D HA 0.009 4.649 4.640 -0.000 0.000 0.221 908 D C 0.643 176.780 176.300 -0.271 0.000 1.101 908 D CA 0.086 53.565 54.000 -0.869 0.000 0.837 908 D CB -0.315 39.651 40.800 -1.391 0.000 0.938 908 D HN 0.131 nan 8.370 nan 0.000 0.508 909 R N 1.009 121.460 120.500 -0.081 0.000 2.734 909 R HA 0.174 4.514 4.340 -0.000 0.000 0.242 909 R C -0.683 175.643 176.300 0.043 0.000 1.617 909 R CA -0.152 55.959 56.100 0.019 0.000 1.572 909 R CB 0.052 30.368 30.300 0.027 0.000 1.477 909 R HN 0.115 nan 8.270 nan 0.000 0.707 910 L N -1.771 119.484 121.223 0.053 0.000 3.410 910 L HA 0.339 4.679 4.340 -0.000 0.000 0.309 910 L C 1.286 178.199 176.870 0.072 0.000 1.254 910 L CA 0.146 55.013 54.840 0.045 0.000 1.048 910 L CB 0.154 42.232 42.059 0.032 0.000 1.442 910 L HN 0.088 nan 8.230 nan 0.000 0.615 911 T N -2.637 111.982 114.554 0.109 0.000 2.867 911 T HA 0.017 4.367 4.350 -0.000 0.000 0.268 911 T C 1.790 176.484 174.700 -0.010 0.000 1.057 911 T CA 1.335 63.512 62.100 0.129 0.000 1.136 911 T CB -0.321 68.684 68.868 0.230 0.000 0.874 911 T HN 0.387 nan 8.240 nan 0.000 0.466 912 A N 1.798 124.614 122.820 -0.006 0.000 2.016 912 A HA 0.634 4.954 4.320 -0.000 0.000 0.217 912 A C 1.693 179.337 177.584 0.099 0.000 1.162 912 A CA 0.569 52.558 52.037 -0.080 0.000 0.662 912 A CB -1.035 18.087 19.000 0.205 0.000 0.812 912 A HN 0.849 nan 8.150 nan 0.000 0.450 913 A N -1.104 121.728 122.820 0.019 0.000 2.425 913 A HA 0.407 4.727 4.320 -0.000 0.000 0.242 913 A C 0.073 177.669 177.584 0.020 0.000 1.077 913 A CA 0.101 52.112 52.037 -0.043 0.000 0.781 913 A CB -0.208 18.758 19.000 -0.058 0.000 1.020 913 A HN 0.513 nan 8.150 nan 0.000 0.494 914 C N 0.618 119.925 119.300 0.012 0.000 2.561 914 C HA 0.547 5.007 4.460 -0.000 0.000 0.319 914 C C -0.141 174.962 174.990 0.189 0.000 1.198 914 C CA -0.473 58.620 59.018 0.125 0.000 1.665 914 C CB 0.768 28.605 27.740 0.162 0.000 2.258 914 C HN 0.780 nan 8.230 nan 0.000 0.493 915 F N 3.956 123.768 119.950 -0.230 0.000 2.445 915 F HA 0.504 5.031 4.527 -0.000 0.000 0.359 915 F C 0.365 175.866 175.800 -0.499 0.000 1.101 915 F CA 1.153 58.861 58.000 -0.487 0.000 1.177 915 F CB 0.009 38.187 39.000 -1.370 0.000 1.110 915 F HN 0.636 nan 8.300 nan 0.000 0.522 916 D N 3.196 122.959 120.400 -1.061 0.000 2.893 916 D HA 0.129 4.769 4.640 -0.000 0.000 0.346 916 D C -1.700 173.725 176.300 -1.459 0.000 1.402 916 D CA -0.732 52.557 54.000 -1.185 0.000 0.815 916 D CB 1.307 41.410 40.800 -1.163 0.000 1.403 916 D HN 0.450 nan 8.370 nan 0.000 0.484 917 R N 0.867 120.603 120.500 -1.273 0.000 2.196 917 R HA 0.468 4.808 4.340 -0.000 0.000 0.340 917 R C -1.356 174.197 176.300 -1.244 0.000 1.043 917 R CA -0.090 55.401 56.100 -1.015 0.000 0.883 917 R CB 0.002 29.938 30.300 -0.606 0.000 1.078 917 R HN 0.258 nan 8.270 nan 0.000 0.462 918 W N 2.789 123.555 121.300 -0.890 0.000 2.627 918 W HA 0.412 5.072 4.660 -0.000 0.000 0.339 918 W C -0.336 175.761 176.519 -0.703 0.000 1.058 918 W CA -0.670 56.091 57.345 -0.974 0.000 1.223 918 W CB 1.659 30.105 29.460 -1.691 0.000 1.389 918 W HN 0.373 nan 8.180 nan 0.000 0.541 919 D N 3.072 123.399 120.400 -0.122 0.000 2.478 919 D HA 0.404 5.044 4.640 -0.000 0.000 0.240 919 D C -1.459 174.917 176.300 0.126 0.000 1.364 919 D CA -0.134 53.885 54.000 0.031 0.000 0.987 919 D CB 0.934 41.727 40.800 -0.011 0.000 1.328 919 D HN 0.350 nan 8.370 nan 0.000 0.584 920 L N 3.351 124.724 121.223 0.250 0.000 2.309 920 L HA 0.605 4.945 4.340 -0.000 0.000 0.261 920 L C -2.231 174.755 176.870 0.193 0.000 1.021 920 L CA -2.023 52.947 54.840 0.217 0.000 0.823 920 L CB 2.751 44.974 42.059 0.275 0.000 1.366 920 L HN 0.174 nan 8.230 nan 0.000 0.423 921 P HA 0.036 nan 4.420 nan 0.000 0.274 921 P C 0.557 177.935 177.300 0.130 0.000 1.231 921 P CA -0.457 62.716 63.100 0.121 0.000 0.790 921 P CB 1.359 33.110 31.700 0.085 0.000 0.951 922 L N 3.561 124.864 121.223 0.134 0.000 2.051 922 L HA -0.269 4.071 4.340 -0.000 0.000 0.214 922 L C 2.478 179.390 176.870 0.071 0.000 1.076 922 L CA 2.904 57.808 54.840 0.106 0.000 0.758 922 L CB -1.611 40.520 42.059 0.120 0.000 0.890 922 L HN 0.506 nan 8.230 nan 0.000 0.433 923 S N -1.698 114.046 115.700 0.074 0.000 2.400 923 S HA -0.212 4.258 4.470 -0.000 0.000 0.232 923 S C 1.649 176.318 174.600 0.116 0.000 1.025 923 S CA 1.312 59.569 58.200 0.094 0.000 0.993 923 S CB -0.848 62.402 63.200 0.083 0.000 0.808 923 S HN 0.560 nan 8.310 nan 0.000 0.478 924 D N 1.038 121.487 120.400 0.080 0.000 2.348 924 D HA 0.083 4.723 4.640 -0.000 0.000 0.216 924 D C 1.179 177.489 176.300 0.016 0.000 0.970 924 D CA 0.585 54.614 54.000 0.048 0.000 0.889 924 D CB -0.140 40.693 40.800 0.056 0.000 0.912 924 D HN 0.388 nan 8.370 nan 0.000 0.524 925 M N -0.353 119.264 119.600 0.028 0.000 2.563 925 M HA 0.039 4.519 4.480 -0.000 0.000 0.231 925 M C -0.052 176.245 176.300 -0.006 0.000 1.136 925 M CA -0.013 55.256 55.300 -0.052 0.000 1.026 925 M CB -0.934 31.623 32.600 -0.071 0.000 1.597 925 M HN -0.045 nan 8.290 nan 0.000 0.495 926 Y N -0.254 120.000 120.300 -0.076 0.000 2.361 926 Y HA 0.474 5.024 4.550 -0.000 0.000 0.337 926 Y C -0.752 175.100 175.900 -0.080 0.000 0.965 926 Y CA -0.937 57.138 58.100 -0.042 0.000 1.091 926 Y CB 1.290 39.782 38.460 0.054 0.000 1.182 926 Y HN -0.140 nan 8.280 nan 0.000 0.450 927 T N 9.182 123.256 114.554 -0.800 0.000 2.743 927 T HA 0.262 4.612 4.350 -0.000 0.000 0.292 927 T C -2.545 171.376 174.700 -1.298 0.000 0.972 927 T CA -1.450 60.111 62.100 -0.898 0.000 0.967 927 T CB 1.008 69.390 68.868 -0.809 0.000 0.926 927 T HN 0.475 nan 8.240 nan 0.000 0.459 928 P HA 0.058 nan 4.420 nan 0.000 0.238 928 P C -0.630 176.566 177.300 -0.173 0.000 1.714 928 P CA -0.324 62.429 63.100 -0.577 0.000 0.908 928 P CB -0.718 30.777 31.700 -0.343 0.000 1.893 929 Y N -0.359 119.887 120.300 -0.089 0.000 2.717 929 Y HA -0.100 4.450 4.550 -0.000 0.000 0.330 929 Y C 2.304 178.272 175.900 0.113 0.000 1.217 929 Y CA -0.503 57.607 58.100 0.017 0.000 1.506 929 Y CB 0.489 38.870 38.460 -0.132 0.000 1.268 929 Y HN -0.107 nan 8.280 nan 0.000 0.561 930 V N 3.541 123.702 119.914 0.412 0.000 2.282 930 V HA -0.324 3.796 4.120 -0.000 0.000 0.249 930 V C 0.639 176.927 176.094 0.323 0.000 1.057 930 V CA 1.497 64.016 62.300 0.365 0.000 1.032 930 V CB -0.553 31.522 31.823 0.420 0.000 0.645 930 V HN 0.590 nan 8.190 nan 0.000 0.447 931 F N 3.127 123.149 119.950 0.121 0.000 2.375 931 F HA 0.483 5.010 4.527 -0.000 0.000 0.362 931 F C -2.349 173.470 175.800 0.032 0.000 1.129 931 F CA -3.760 54.255 58.000 0.025 0.000 1.154 931 F CB 0.370 39.297 39.000 -0.123 0.000 1.205 931 F HN 0.018 nan 8.300 nan 0.000 0.513 932 P HA 0.161 nan 4.420 nan 0.000 0.265 932 P C -0.940 176.027 177.300 -0.554 0.000 1.187 932 P CA 0.397 63.267 63.100 -0.383 0.000 0.766 932 P CB 0.831 32.343 31.700 -0.313 0.000 0.820 933 S N 0.144 115.701 115.700 -0.239 0.000 2.656 933 S HA 0.389 4.859 4.470 -0.000 0.000 0.265 933 S C -0.955 173.614 174.600 -0.052 0.000 1.132 933 S CA -1.033 57.059 58.200 -0.179 0.000 0.819 933 S CB 0.368 63.462 63.200 -0.175 0.000 1.119 933 S HN 0.331 nan 8.310 nan 0.000 0.476 934 E N 1.267 121.449 120.200 -0.030 0.000 2.502 934 E HA 0.378 4.728 4.350 -0.000 0.000 0.261 934 E C -0.154 176.483 176.600 0.063 0.000 0.974 934 E CA 0.956 57.372 56.400 0.028 0.000 0.936 934 E CB -0.220 29.520 29.700 0.067 0.000 0.926 934 E HN 0.829 nan 8.360 nan 0.000 0.459 935 N N 1.492 120.267 118.700 0.125 0.000 3.185 935 N HA 0.473 5.213 4.740 -0.000 0.000 0.238 935 N C 0.242 175.790 175.510 0.064 0.000 1.451 935 N CA -0.456 52.702 53.050 0.179 0.000 0.888 935 N CB 0.819 39.403 38.487 0.162 0.000 1.413 935 N HN 0.719 nan 8.380 nan 0.000 0.511 936 G N -1.302 107.493 108.800 -0.009 0.000 2.184 936 G HA2 -0.272 3.688 3.960 -0.000 0.000 0.264 936 G HA3 -0.272 3.688 3.960 -0.000 0.000 0.264 936 G C -0.102 174.519 174.900 -0.465 0.000 0.975 936 G CA 0.446 45.422 45.100 -0.206 0.000 0.642 936 G HN 0.787 nan 8.290 nan 0.000 0.536 937 L N 0.156 121.031 121.223 -0.579 0.000 2.499 937 L HA 0.629 4.969 4.340 -0.000 0.000 0.281 937 L C 0.597 176.867 176.870 -1.000 0.000 1.234 937 L CA 0.521 54.787 54.840 -0.958 0.000 0.839 937 L CB 0.502 41.720 42.059 -1.401 0.000 1.104 937 L HN 0.264 nan 8.230 nan 0.000 0.500 938 R N 2.572 122.401 120.500 -1.117 0.000 2.538 938 R HA 0.476 4.816 4.340 -0.000 0.000 0.292 938 R C -1.033 174.921 176.300 -0.576 0.000 1.008 938 R CA -0.280 55.297 56.100 -0.873 0.000 0.896 938 R CB 1.326 30.894 30.300 -1.220 0.000 1.187 938 R HN 0.746 nan 8.270 nan 0.000 0.440 939 C N 0.407 119.509 119.300 -0.331 0.000 2.352 939 C HA 0.709 5.169 4.460 -0.000 0.000 0.387 939 C C 1.306 176.268 174.990 -0.046 0.000 1.294 939 C CA -0.050 58.857 59.018 -0.184 0.000 2.137 939 C CB 1.230 28.884 27.740 -0.143 0.000 2.146 939 C HN 1.026 nan 8.230 nan 0.000 0.559 940 G N 1.846 110.628 108.800 -0.031 0.000 2.390 940 G HA2 -0.184 3.776 3.960 -0.000 0.000 0.299 940 G HA3 -0.184 3.776 3.960 -0.000 0.000 0.299 940 G C -0.060 174.883 174.900 0.073 0.000 1.002 940 G CA 0.586 45.709 45.100 0.038 0.000 0.979 940 G HN 0.814 nan 8.290 nan 0.000 0.513 941 T N -0.009 114.463 114.554 -0.136 0.000 2.799 941 T HA 0.530 4.880 4.350 -0.000 0.000 0.286 941 T C 1.290 175.706 174.700 -0.473 0.000 0.973 941 T CA -0.633 61.346 62.100 -0.202 0.000 1.035 941 T CB 1.448 70.165 68.868 -0.252 0.000 0.932 941 T HN 0.237 nan 8.240 nan 0.000 0.469 942 R N 1.394 121.822 120.500 -0.120 0.000 2.335 942 R HA 0.303 4.643 4.340 -0.000 0.000 0.210 942 R C 0.433 176.757 176.300 0.040 0.000 0.892 942 R CA 0.127 56.207 56.100 -0.034 0.000 1.048 942 R CB 0.455 30.855 30.300 0.166 0.000 1.067 942 R HN 0.707 nan 8.270 nan 0.000 0.524 943 E N 0.568 120.798 120.200 0.050 0.000 2.347 943 E HA 0.298 4.648 4.350 -0.000 0.000 0.285 943 E C -1.880 174.848 176.600 0.214 0.000 0.925 943 E CA -0.629 55.877 56.400 0.176 0.000 0.779 943 E CB 1.482 31.257 29.700 0.125 0.000 1.233 943 E HN -0.093 nan 8.360 nan 0.000 0.414 944 L N 3.939 125.343 121.223 0.302 0.000 2.386 944 L HA 0.622 4.962 4.340 -0.000 0.000 0.271 944 L C -1.790 175.261 176.870 0.301 0.000 0.993 944 L CA -0.433 54.534 54.840 0.212 0.000 0.819 944 L CB 1.803 43.858 42.059 -0.007 0.000 1.294 944 L HN 0.486 nan 8.230 nan 0.000 0.414 945 N N 4.350 123.208 118.700 0.262 0.000 2.352 945 N HA 0.371 5.111 4.740 -0.000 0.000 0.291 945 N C -2.044 173.680 175.510 0.356 0.000 1.040 945 N CA -0.262 52.933 53.050 0.241 0.000 0.864 945 N CB 2.189 40.762 38.487 0.143 0.000 1.440 945 N HN 0.580 nan 8.380 nan 0.000 0.483 946 Y N 1.322 121.745 120.300 0.205 0.000 2.330 946 Y HA 0.429 4.979 4.550 -0.000 0.000 0.324 946 Y C 0.726 176.711 175.900 0.141 0.000 1.093 946 Y CA 0.121 58.348 58.100 0.212 0.000 1.103 946 Y CB 0.745 39.407 38.460 0.337 0.000 1.183 946 Y HN 0.846 nan 8.280 nan 0.000 0.433 947 G N 6.661 115.281 108.800 -0.299 0.000 2.622 947 G HA2 -0.309 3.651 3.960 -0.000 0.000 0.307 947 G HA3 -0.309 3.651 3.960 -0.000 0.000 0.307 947 G C -1.608 173.163 174.900 -0.215 0.000 1.226 947 G CA 0.251 45.158 45.100 -0.322 0.000 0.997 947 G HN 0.618 nan 8.290 nan 0.000 0.551 948 P HA 0.150 nan 4.420 nan 0.000 0.251 948 P C 0.166 177.261 177.300 -0.341 0.000 1.223 948 P CA 0.590 63.496 63.100 -0.324 0.000 0.796 948 P CB 0.083 31.552 31.700 -0.385 0.000 1.068 949 H N 0.706 119.686 119.070 -0.149 0.000 2.562 949 H HA 0.413 4.969 4.556 -0.000 0.000 0.352 949 H C 0.002 175.002 175.328 -0.546 0.000 1.125 949 H CA 0.247 56.060 56.048 -0.390 0.000 1.379 949 H CB 1.327 30.662 29.762 -0.712 0.000 1.464 949 H HN 0.135 nan 8.280 nan 0.000 0.563 950 Q N 2.660 122.145 119.800 -0.525 0.000 2.285 950 Q HA 0.221 4.561 4.340 -0.000 0.000 0.269 950 Q C -1.588 174.129 176.000 -0.472 0.000 1.030 950 Q CA -0.682 54.923 55.803 -0.329 0.000 0.788 950 Q CB 1.970 30.665 28.738 -0.072 0.000 1.266 950 Q HN 0.581 nan 8.270 nan 0.000 0.438 951 W N 3.922 125.167 121.300 -0.092 0.000 2.587 951 W HA 0.570 5.230 4.660 -0.000 0.000 0.324 951 W C -0.170 176.418 176.519 0.115 0.000 1.040 951 W CA -0.668 56.598 57.345 -0.132 0.000 1.222 951 W CB 1.921 31.113 29.460 -0.446 0.000 1.381 951 W HN 0.513 nan 8.180 nan 0.000 0.483 952 R N 0.649 121.369 120.500 0.367 0.000 2.750 952 R HA 0.782 5.122 4.340 -0.000 0.000 0.281 952 R C 0.229 176.774 176.300 0.409 0.000 0.972 952 R CA -0.397 55.923 56.100 0.367 0.000 0.912 952 R CB 2.427 32.862 30.300 0.225 0.000 1.187 952 R HN 0.749 nan 8.270 nan 0.000 0.464 953 G N 0.761 109.778 108.800 0.363 0.000 2.553 953 G HA2 -0.023 3.937 3.960 -0.000 0.000 0.106 953 G HA3 -0.023 3.937 3.960 -0.000 0.000 0.106 953 G C -1.758 173.239 174.900 0.161 0.000 1.126 953 G CA -0.363 44.922 45.100 0.309 0.000 1.075 953 G HN 0.509 nan 8.290 nan 0.000 0.472 954 D N 0.046 120.540 120.400 0.157 0.000 2.411 954 D HA 0.588 5.228 4.640 -0.000 0.000 0.239 954 D C -0.615 175.660 176.300 -0.041 0.000 1.307 954 D CA -0.451 53.527 54.000 -0.037 0.000 0.930 954 D CB 0.143 40.961 40.800 0.030 0.000 1.395 954 D HN 0.585 nan 8.370 nan 0.000 0.536 955 F N -0.184 119.739 119.950 -0.044 0.000 2.790 955 F HA 0.762 5.289 4.527 -0.000 0.000 0.337 955 F C -0.949 174.789 175.800 -0.103 0.000 1.163 955 F CA -0.992 56.918 58.000 -0.150 0.000 0.997 955 F CB 0.706 39.602 39.000 -0.174 0.000 1.437 955 F HN -0.151 nan 8.300 nan 0.000 0.512 956 Q N 1.305 121.190 119.800 0.142 0.000 2.351 956 Q HA 0.673 5.013 4.340 -0.000 0.000 0.273 956 Q C -1.274 174.809 176.000 0.138 0.000 1.077 956 Q CA -0.559 55.236 55.803 -0.013 0.000 0.843 956 Q CB 2.736 31.364 28.738 -0.183 0.000 1.367 956 Q HN 0.871 nan 8.270 nan 0.000 0.449 957 F N -1.184 118.633 119.950 -0.222 0.000 2.719 957 F HA 0.694 5.221 4.527 -0.000 0.000 0.309 957 F C -1.870 173.695 175.800 -0.393 0.000 1.138 957 F CA -1.059 56.768 58.000 -0.288 0.000 0.943 957 F CB 1.401 40.266 39.000 -0.225 0.000 1.304 957 F HN 0.585 nan 8.300 nan 0.000 0.445 958 N N 2.274 120.764 118.700 -0.350 0.000 2.277 958 N HA 0.719 5.459 4.740 -0.000 0.000 0.286 958 N C -2.170 173.260 175.510 -0.134 0.000 1.140 958 N CA -0.741 52.075 53.050 -0.390 0.000 0.799 958 N CB 2.631 40.927 38.487 -0.319 0.000 1.596 958 N HN 1.133 nan 8.380 nan 0.000 0.473 959 I N 0.722 121.213 120.570 -0.131 0.000 2.586 959 I HA 0.681 4.851 4.170 -0.000 0.000 0.288 959 I C -1.357 174.670 176.117 -0.149 0.000 1.147 959 I CA -0.011 61.189 61.300 -0.166 0.000 1.047 959 I CB 1.261 39.094 38.000 -0.279 0.000 1.244 959 I HN 1.025 nan 8.210 nan 0.000 0.429 960 S N 6.408 122.038 115.700 -0.117 0.000 2.727 960 S HA 0.554 5.024 4.470 -0.000 0.000 0.278 960 S C -0.075 174.414 174.600 -0.184 0.000 1.186 960 S CA -0.943 57.170 58.200 -0.144 0.000 0.836 960 S CB 1.778 64.937 63.200 -0.068 0.000 1.186 960 S HN 0.622 nan 8.310 nan 0.000 0.499 961 R N -0.251 119.968 120.500 -0.469 0.000 2.334 961 R HA 0.283 4.623 4.340 -0.000 0.000 0.220 961 R C -0.882 175.078 176.300 -0.567 0.000 0.917 961 R CA 0.268 56.066 56.100 -0.505 0.000 1.073 961 R CB -0.918 28.980 30.300 -0.670 0.000 1.056 961 R HN 0.663 nan 8.270 nan 0.000 0.506 962 Y N 0.230 120.479 120.300 -0.086 0.000 2.341 962 Y HA 0.234 4.784 4.550 -0.000 0.000 0.338 962 Y C 0.734 176.435 175.900 -0.333 0.000 0.965 962 Y CA -1.136 56.837 58.100 -0.212 0.000 1.108 962 Y CB 1.466 39.765 38.460 -0.268 0.000 1.180 962 Y HN -0.115 nan 8.280 nan 0.000 0.458 963 S N 1.595 116.971 115.700 -0.539 0.000 2.603 963 S HA 0.080 4.550 4.470 -0.000 0.000 0.268 963 S C 0.866 175.140 174.600 -0.544 0.000 1.317 963 S CA -0.779 56.749 58.200 -1.121 0.000 1.012 963 S CB 1.282 63.454 63.200 -1.713 0.000 0.926 963 S HN 0.727 nan 8.310 nan 0.000 0.539 964 Q N 0.709 120.213 119.800 -0.494 0.000 2.181 964 Q HA -0.206 4.134 4.340 -0.000 0.000 0.205 964 Q C 2.152 178.017 176.000 -0.225 0.000 0.980 964 Q CA 1.877 57.522 55.803 -0.264 0.000 0.862 964 Q CB -0.492 28.121 28.738 -0.208 0.000 0.905 964 Q HN 0.979 nan 8.270 nan 0.000 0.429 965 Q N 0.458 120.081 119.800 -0.295 0.000 2.079 965 Q HA -0.195 4.145 4.340 -0.000 0.000 0.200 965 Q C 2.108 178.012 176.000 -0.160 0.000 0.974 965 Q CA 1.395 57.084 55.803 -0.190 0.000 0.840 965 Q CB 0.041 28.670 28.738 -0.183 0.000 0.898 965 Q HN 0.406 nan 8.270 nan 0.000 0.430 966 Q N 0.137 119.820 119.800 -0.195 0.000 2.046 966 Q HA -0.158 4.182 4.340 -0.000 0.000 0.200 966 Q C 2.197 178.106 176.000 -0.152 0.000 0.975 966 Q CA 1.352 57.073 55.803 -0.137 0.000 0.836 966 Q CB -0.108 28.549 28.738 -0.135 0.000 0.896 966 Q HN 0.496 nan 8.270 nan 0.000 0.428 967 L N 0.358 121.476 121.223 -0.175 0.000 2.081 967 L HA -0.230 4.110 4.340 -0.000 0.000 0.212 967 L C 2.719 179.470 176.870 -0.198 0.000 1.080 967 L CA 1.446 56.173 54.840 -0.189 0.000 0.754 967 L CB -0.391 41.582 42.059 -0.143 0.000 0.893 967 L HN 0.441 nan 8.230 nan 0.000 0.433 968 M N -0.476 119.034 119.600 -0.151 0.000 2.394 968 M HA -0.156 4.324 4.480 -0.000 0.000 0.264 968 M C 1.560 177.798 176.300 -0.103 0.000 1.073 968 M CA 1.632 56.857 55.300 -0.123 0.000 1.111 968 M CB 0.128 32.671 32.600 -0.095 0.000 1.401 968 M HN 0.186 nan 8.290 nan 0.000 0.448 969 E N -0.713 119.431 120.200 -0.094 0.000 2.476 969 E HA 0.089 4.439 4.350 -0.000 0.000 0.199 969 E C -0.266 176.308 176.600 -0.043 0.000 1.021 969 E CA 0.081 56.449 56.400 -0.054 0.000 0.907 969 E CB 0.528 30.203 29.700 -0.042 0.000 0.974 969 E HN 0.319 nan 8.360 nan 0.000 0.489 970 T N 0.852 115.353 114.554 -0.088 0.000 2.767 970 T HA 0.095 4.445 4.350 -0.000 0.000 0.284 970 T C 1.155 175.822 174.700 -0.054 0.000 0.973 970 T CA -0.372 61.683 62.100 -0.074 0.000 0.996 970 T CB 1.608 70.400 68.868 -0.126 0.000 0.927 970 T HN 0.053 nan 8.240 nan 0.000 0.456 971 S N 2.052 117.816 115.700 0.106 0.000 2.470 971 S HA 0.039 4.509 4.470 -0.000 0.000 0.225 971 S C 0.307 175.044 174.600 0.227 0.000 1.006 971 S CA 0.333 58.699 58.200 0.278 0.000 0.934 971 S CB -0.238 63.225 63.200 0.440 0.000 0.778 971 S HN 0.747 nan 8.310 nan 0.000 0.517 972 H N 0.451 119.570 119.070 0.080 0.000 2.717 972 H HA 0.533 5.089 4.556 -0.000 0.000 0.366 972 H C 0.935 176.265 175.328 0.003 0.000 1.132 972 H CA -0.795 55.338 56.048 0.142 0.000 1.180 972 H CB 1.461 31.314 29.762 0.152 0.000 1.678 972 H HN 0.142 nan 8.280 nan 0.000 0.537 973 R N 1.483 122.111 120.500 0.214 0.000 2.152 973 R HA -0.146 4.194 4.340 -0.000 0.000 0.232 973 R C 1.106 177.436 176.300 0.051 0.000 1.117 973 R CA 1.730 57.885 56.100 0.092 0.000 0.981 973 R CB -0.379 30.011 30.300 0.151 0.000 0.870 973 R HN 0.766 nan 8.270 nan 0.000 0.451 974 H N 0.934 120.019 119.070 0.024 0.000 2.546 974 H HA 0.061 4.617 4.556 -0.000 0.000 0.277 974 H C 1.435 176.695 175.328 -0.113 0.000 1.004 974 H CA 0.614 56.638 56.048 -0.040 0.000 1.231 974 H CB -0.072 29.662 29.762 -0.046 0.000 1.382 974 H HN 0.305 nan 8.280 nan 0.000 0.580 975 L N 0.877 121.724 121.223 -0.625 0.000 2.592 975 L HA 0.206 4.546 4.340 -0.000 0.000 0.227 975 L C 0.714 177.454 176.870 -0.217 0.000 1.127 975 L CA -0.116 54.425 54.840 -0.497 0.000 0.884 975 L CB 0.111 41.858 42.059 -0.519 0.000 1.065 975 L HN 0.060 nan 8.230 nan 0.000 0.457 976 L N 0.972 122.071 121.223 -0.205 0.000 2.439 976 L HA 0.140 4.480 4.340 -0.000 0.000 0.269 976 L C 0.126 176.992 176.870 -0.007 0.000 1.179 976 L CA -0.075 54.635 54.840 -0.216 0.000 0.828 976 L CB 0.397 42.093 42.059 -0.605 0.000 1.106 976 L HN 0.194 nan 8.230 nan 0.000 0.467 977 H N 1.807 120.897 119.070 0.033 0.000 2.679 977 H HA 0.575 5.131 4.556 -0.000 0.000 0.360 977 H C -0.900 174.568 175.328 0.234 0.000 1.105 977 H CA -1.214 54.902 56.048 0.114 0.000 1.196 977 H CB 1.371 31.153 29.762 0.033 0.000 1.636 977 H HN 0.660 nan 8.280 nan 0.000 0.531 978 A N 3.513 126.379 122.820 0.077 0.000 2.520 978 A HA 0.144 4.464 4.320 -0.000 0.000 0.245 978 A C 0.283 177.806 177.584 -0.101 0.000 1.072 978 A CA -0.164 51.784 52.037 -0.148 0.000 0.761 978 A CB -0.071 18.854 19.000 -0.125 0.000 1.004 978 A HN 0.831 nan 8.150 nan 0.000 0.499 979 E N 0.942 121.056 120.200 -0.145 0.000 2.280 979 E HA 0.234 4.584 4.350 -0.000 0.000 0.264 979 E C -0.109 176.504 176.600 0.022 0.000 1.064 979 E CA -0.686 55.723 56.400 0.015 0.000 0.900 979 E CB 0.926 30.711 29.700 0.141 0.000 1.123 979 E HN 0.800 nan 8.360 nan 0.000 0.418 980 E N 0.494 120.721 120.200 0.045 0.000 2.413 980 E HA 0.149 4.499 4.350 -0.000 0.000 0.263 980 E C 0.393 176.953 176.600 -0.067 0.000 1.015 980 E CA 0.699 57.096 56.400 -0.005 0.000 0.916 980 E CB 0.329 30.029 29.700 -0.000 0.000 0.947 980 E HN 0.681 nan 8.360 nan 0.000 0.440 981 G N 2.889 111.650 108.800 -0.065 0.000 2.645 981 G HA2 -0.243 3.717 3.960 -0.000 0.000 0.246 981 G HA3 -0.243 3.717 3.960 -0.000 0.000 0.246 981 G C -0.581 174.263 174.900 -0.094 0.000 1.322 981 G CA -0.090 44.959 45.100 -0.085 0.000 0.898 981 G HN 0.631 nan 8.290 nan 0.000 0.573 982 T N 0.076 114.566 114.554 -0.106 0.000 2.848 982 T HA 0.508 4.858 4.350 -0.000 0.000 0.285 982 T C -0.772 173.799 174.700 -0.216 0.000 0.995 982 T CA -0.172 61.875 62.100 -0.089 0.000 0.970 982 T CB 1.483 70.392 68.868 0.069 0.000 0.976 982 T HN 0.560 nan 8.240 nan 0.000 0.441 983 W N 3.058 124.272 121.300 -0.143 0.000 2.322 983 W HA 0.594 5.254 4.660 -0.000 0.000 0.307 983 W C -0.307 176.086 176.519 -0.210 0.000 1.220 983 W CA -0.635 56.620 57.345 -0.150 0.000 1.210 983 W CB 0.703 30.081 29.460 -0.137 0.000 1.223 983 W HN 0.365 nan 8.180 nan 0.000 0.511 984 L N 5.644 126.850 121.223 -0.029 0.000 2.333 984 L HA 0.517 4.857 4.340 -0.000 0.000 0.280 984 L C -0.960 175.799 176.870 -0.185 0.000 1.004 984 L CA -0.454 54.254 54.840 -0.220 0.000 0.820 984 L CB 0.917 42.694 42.059 -0.470 0.000 1.247 984 L HN 0.312 nan 8.230 nan 0.000 0.416 985 N N 6.774 125.349 118.700 -0.208 0.000 2.483 985 N HA 0.455 5.195 4.740 -0.000 0.000 0.267 985 N C -1.210 174.134 175.510 -0.278 0.000 0.998 985 N CA -0.169 52.756 53.050 -0.208 0.000 0.918 985 N CB 2.125 40.522 38.487 -0.149 0.000 1.215 985 N HN 0.563 nan 8.380 nan 0.000 0.500 986 I N 1.947 122.293 120.570 -0.373 0.000 2.355 986 I HA 0.223 4.393 4.170 -0.000 0.000 0.288 986 I C -0.541 175.342 176.117 -0.390 0.000 0.999 986 I CA -0.613 60.417 61.300 -0.450 0.000 1.163 986 I CB 1.273 38.800 38.000 -0.787 0.000 1.316 986 I HN 0.174 nan 8.210 nan 0.000 0.454 987 D N 4.543 124.761 120.400 -0.304 0.000 2.198 987 D HA 0.277 4.917 4.640 -0.000 0.000 0.247 987 D C 0.854 176.839 176.300 -0.525 0.000 1.010 987 D CA -0.322 53.442 54.000 -0.394 0.000 0.880 987 D CB 2.411 43.087 40.800 -0.208 0.000 1.209 987 D HN 0.665 nan 8.370 nan 0.000 0.451 988 G N 0.482 108.721 108.800 -0.936 0.000 2.453 988 G HA2 0.072 4.032 3.960 -0.000 0.000 0.215 988 G HA3 0.072 4.032 3.960 -0.000 0.000 0.215 988 G C 0.017 174.182 174.900 -1.224 0.000 1.147 988 G CA 0.393 44.803 45.100 -1.150 0.000 0.802 988 G HN 0.353 nan 8.290 nan 0.000 0.535 989 F N -1.925 117.851 119.950 -0.290 0.000 2.619 989 F HA 0.595 5.122 4.527 -0.000 0.000 0.308 989 F C -0.644 175.061 175.800 -0.157 0.000 1.097 989 F CA -1.275 56.626 58.000 -0.166 0.000 0.953 989 F CB 1.965 40.823 39.000 -0.237 0.000 1.287 989 F HN 0.012 nan 8.300 nan 0.000 0.446 990 H N 1.756 120.833 119.070 0.013 0.000 2.771 990 H HA 0.549 5.105 4.556 -0.000 0.000 0.361 990 H C -0.808 174.543 175.328 0.038 0.000 1.108 990 H CA -0.865 55.163 56.048 -0.033 0.000 1.201 990 H CB 1.879 31.604 29.762 -0.061 0.000 1.681 990 H HN 0.792 nan 8.280 nan 0.000 0.534 991 M N 3.368 122.904 119.600 -0.106 0.000 2.240 991 M HA 0.300 4.780 4.480 -0.000 0.000 0.333 991 M C 0.429 176.824 176.300 0.159 0.000 1.110 991 M CA 0.258 55.563 55.300 0.009 0.000 1.173 991 M CB 0.394 32.906 32.600 -0.148 0.000 1.458 991 M HN 0.829 nan 8.290 nan 0.000 0.458 992 G N 2.578 111.458 108.800 0.134 0.000 2.699 992 G HA2 0.300 4.260 3.960 -0.000 0.000 0.246 992 G HA3 0.300 4.260 3.960 -0.000 0.000 0.246 992 G C 0.573 175.453 174.900 -0.034 0.000 1.219 992 G CA -0.366 44.758 45.100 0.039 0.000 0.866 992 G HN 0.972 nan 8.290 nan 0.000 0.572 993 I N -1.825 118.678 120.570 -0.111 0.000 3.708 993 I HA 0.423 4.593 4.170 -0.000 0.000 0.302 993 I C 1.212 177.256 176.117 -0.121 0.000 1.255 993 I CA 0.453 61.651 61.300 -0.171 0.000 1.362 993 I CB -0.490 37.312 38.000 -0.330 0.000 1.100 993 I HN 0.942 nan 8.210 nan 0.000 0.434 994 G N 1.530 110.277 108.800 -0.089 0.000 2.645 994 G HA2 0.032 3.992 3.960 -0.000 0.000 0.246 994 G HA3 0.032 3.992 3.960 -0.000 0.000 0.246 994 G C 0.552 175.440 174.900 -0.020 0.000 1.322 994 G CA 0.133 45.216 45.100 -0.029 0.000 0.898 994 G HN 1.350 nan 8.290 nan 0.000 0.573 995 G N -2.442 106.362 108.800 0.007 0.000 2.902 995 G HA2 0.039 3.999 3.960 -0.000 0.000 0.215 995 G HA3 0.039 3.999 3.960 -0.000 0.000 0.215 995 G C 0.650 175.601 174.900 0.085 0.000 0.976 995 G CA 0.916 46.031 45.100 0.025 0.000 0.794 995 G HN 0.959 nan 8.290 nan 0.000 0.557 996 D N 1.270 121.743 120.400 0.121 0.000 2.203 996 D HA 0.083 4.723 4.640 -0.000 0.000 0.199 996 D C 1.019 177.377 176.300 0.097 0.000 0.997 996 D CA 2.194 56.331 54.000 0.228 0.000 0.863 996 D CB 0.125 41.057 40.800 0.221 0.000 0.928 996 D HN 0.821 nan 8.370 nan 0.000 0.458 997 D N -3.666 116.568 120.400 -0.277 0.000 2.692 997 D HA 0.305 4.944 4.640 -0.000 0.000 0.290 997 D C -0.944 174.795 176.300 -0.934 0.000 1.281 997 D CA -0.738 52.638 54.000 -1.040 0.000 0.804 997 D CB 0.747 40.493 40.800 -1.757 0.000 1.331 997 D HN -0.284 nan 8.370 nan 0.000 0.432 998 S N -0.474 114.463 115.700 -1.272 0.000 2.751 998 S HA 0.271 4.741 4.470 -0.000 0.000 0.247 998 S C -0.709 173.893 174.600 0.003 0.000 1.103 998 S CA -0.677 57.282 58.200 -0.401 0.000 1.090 998 S CB -0.506 62.597 63.200 -0.161 0.000 0.928 998 S HN 0.599 nan 8.310 nan 0.000 0.502 999 W N 0.790 122.034 121.300 -0.094 0.000 2.055 999 W HA 0.532 5.192 4.660 -0.000 0.000 0.293 999 W C 0.034 176.524 176.519 -0.048 0.000 0.886 999 W CA -0.465 56.854 57.345 -0.042 0.000 1.384 999 W CB -0.447 28.958 29.460 -0.091 0.000 1.068 999 W HN 0.208 nan 8.180 nan 0.000 0.513 1000 S N -1.160 114.460 115.700 -0.134 0.000 2.547 1000 S HA 0.573 5.043 4.470 -0.000 0.000 0.270 1000 S C -3.161 171.384 174.600 -0.091 0.000 1.150 1000 S CA -1.553 56.597 58.200 -0.083 0.000 0.850 1000 S CB 1.590 64.760 63.200 -0.050 0.000 1.118 1000 S HN -0.225 nan 8.310 nan 0.000 0.461 1001 P HA 0.149 nan 4.420 nan 0.000 0.260 1001 P C 0.399 177.746 177.300 0.078 0.000 1.185 1001 P CA 0.142 63.264 63.100 0.038 0.000 0.763 1001 P CB 0.531 32.145 31.700 -0.143 0.000 0.776 1002 S N 0.880 116.655 115.700 0.126 0.000 2.780 1002 S HA 0.142 4.612 4.470 -0.000 0.000 0.248 1002 S C 0.204 174.882 174.600 0.129 0.000 1.036 1002 S CA -0.325 57.923 58.200 0.079 0.000 1.061 1002 S CB -0.211 62.981 63.200 -0.012 0.000 1.037 1002 S HN 0.108 nan 8.310 nan 0.000 0.584 1003 V N 2.917 122.953 119.914 0.204 0.000 2.427 1003 V HA 0.382 4.502 4.120 -0.000 0.000 0.268 1003 V C 0.815 177.057 176.094 0.245 0.000 1.046 1003 V CA -0.329 62.077 62.300 0.176 0.000 0.970 1003 V CB 0.876 32.751 31.823 0.087 0.000 1.001 1003 V HN 0.522 nan 8.190 nan 0.000 0.476 1004 S N 4.160 120.014 115.700 0.257 0.000 2.568 1004 S HA 0.268 4.738 4.470 -0.000 0.000 0.282 1004 S C 1.572 176.322 174.600 0.251 0.000 1.338 1004 S CA 0.091 58.443 58.200 0.255 0.000 1.045 1004 S CB 1.096 64.474 63.200 0.297 0.000 0.873 1004 S HN 0.998 nan 8.310 nan 0.000 0.516 1005 A N 3.542 126.465 122.820 0.171 0.000 1.948 1005 A HA -0.149 4.171 4.320 -0.000 0.000 0.220 1005 A C 2.027 179.643 177.584 0.053 0.000 1.177 1005 A CA 1.849 53.967 52.037 0.135 0.000 0.636 1005 A CB -0.682 18.375 19.000 0.096 0.000 0.815 1005 A HN 0.967 nan 8.150 nan 0.000 0.449 1006 E N -0.948 119.228 120.200 -0.040 0.000 2.409 1006 E HA -0.124 4.226 4.350 -0.000 0.000 0.198 1006 E C 0.701 177.072 176.600 -0.383 0.000 1.024 1006 E CA 0.758 57.014 56.400 -0.241 0.000 0.861 1006 E CB -0.421 29.045 29.700 -0.391 0.000 0.788 1006 E HN 0.681 nan 8.360 nan 0.000 0.521 1007 F N 1.125 121.119 119.950 0.073 0.000 2.639 1007 F HA 0.280 4.807 4.527 -0.000 0.000 0.302 1007 F C 0.853 176.685 175.800 0.052 0.000 1.097 1007 F CA -0.466 57.578 58.000 0.074 0.000 1.294 1007 F CB 0.576 39.620 39.000 0.074 0.000 1.027 1007 F HN -0.191 nan 8.300 nan 0.000 0.550 1008 Q N 1.123 121.018 119.800 0.160 0.000 2.230 1008 Q HA 0.427 4.767 4.340 -0.000 0.000 0.253 1008 Q C -0.260 175.756 176.000 0.028 0.000 0.919 1008 Q CA -0.587 55.280 55.803 0.108 0.000 0.908 1008 Q CB 1.993 30.855 28.738 0.207 0.000 1.245 1008 Q HN 0.237 nan 8.270 nan 0.000 0.437 1009 L N 2.472 123.705 121.223 0.017 0.000 2.387 1009 L HA 0.117 4.457 4.340 -0.000 0.000 0.267 1009 L C 0.580 177.445 176.870 -0.010 0.000 1.197 1009 L CA -0.040 54.813 54.840 0.022 0.000 1.070 1009 L CB -0.319 41.647 42.059 -0.154 0.000 1.349 1009 L HN 0.681 nan 8.230 nan 0.000 0.422 1010 S N -0.979 114.631 115.700 -0.149 0.000 2.578 1010 S HA 0.162 4.632 4.470 -0.000 0.000 0.231 1010 S C 1.589 176.147 174.600 -0.071 0.000 0.994 1010 S CA 0.155 58.148 58.200 -0.346 0.000 0.956 1010 S CB 0.787 63.600 63.200 -0.645 0.000 0.870 1010 S HN 0.519 nan 8.310 nan 0.000 0.494 1011 A N 1.517 124.301 122.820 -0.059 0.000 2.121 1011 A HA 0.433 4.753 4.320 -0.000 0.000 0.218 1011 A C 2.146 179.586 177.584 -0.239 0.000 1.154 1011 A CA 1.212 53.061 52.037 -0.314 0.000 0.679 1011 A CB -1.325 17.180 19.000 -0.825 0.000 0.795 1011 A HN 1.472 nan 8.150 nan 0.000 0.458 1012 G N -1.208 107.578 108.800 -0.023 0.000 2.550 1012 G HA2 -0.325 3.635 3.960 -0.000 0.000 0.233 1012 G HA3 -0.325 3.635 3.960 -0.000 0.000 0.233 1012 G C 0.497 175.425 174.900 0.046 0.000 1.170 1012 G CA 0.607 45.743 45.100 0.060 0.000 0.693 1012 G HN 0.694 nan 8.290 nan 0.000 0.512 1013 R N -0.430 119.974 120.500 -0.160 0.000 2.513 1013 R HA 0.665 5.005 4.340 -0.000 0.000 0.301 1013 R C -1.479 174.620 176.300 -0.334 0.000 0.968 1013 R CA -0.585 55.460 56.100 -0.090 0.000 0.872 1013 R CB 1.438 31.709 30.300 -0.049 0.000 1.177 1013 R HN 0.256 nan 8.270 nan 0.000 0.444 1014 Y N 0.293 120.592 120.300 -0.002 0.000 2.536 1014 Y HA 0.390 4.940 4.550 -0.000 0.000 0.347 1014 Y C -0.312 175.736 175.900 0.247 0.000 1.000 1014 Y CA -0.849 57.221 58.100 -0.050 0.000 1.051 1014 Y CB 2.154 40.406 38.460 -0.347 0.000 1.259 1014 Y HN 0.572 nan 8.280 nan 0.000 0.468 1015 H N 2.027 121.379 119.070 0.471 0.000 2.771 1015 H HA 0.612 5.168 4.556 -0.000 0.000 0.361 1015 H C -1.839 173.846 175.328 0.595 0.000 1.108 1015 H CA -0.940 55.349 56.048 0.401 0.000 1.201 1015 H CB 1.329 31.224 29.762 0.222 0.000 1.681 1015 H HN 0.563 nan 8.280 nan 0.000 0.534 1016 Y N 1.180 121.260 120.300 -0.367 0.000 2.592 1016 Y HA 0.529 5.079 4.550 -0.000 0.000 0.334 1016 Y C -1.995 173.702 175.900 -0.338 0.000 1.136 1016 Y CA -1.035 56.928 58.100 -0.227 0.000 1.042 1016 Y CB 1.325 39.739 38.460 -0.077 0.000 1.325 1016 Y HN 0.650 nan 8.280 nan 0.000 0.457 1017 Q N 2.969 122.769 119.800 -0.000 0.000 2.347 1017 Q HA 0.785 5.125 4.340 -0.000 0.000 0.271 1017 Q C -1.694 174.397 176.000 0.151 0.000 1.064 1017 Q CA -0.867 54.932 55.803 -0.005 0.000 0.800 1017 Q CB 3.439 32.207 28.738 0.051 0.000 1.304 1017 Q HN 0.727 nan 8.270 nan 0.000 0.438 1018 L N 1.382 122.680 121.223 0.125 0.000 2.401 1018 L HA 0.714 5.054 4.340 -0.000 0.000 0.266 1018 L C -1.016 175.972 176.870 0.196 0.000 0.991 1018 L CA -1.211 53.737 54.840 0.181 0.000 0.818 1018 L CB 2.208 44.354 42.059 0.144 0.000 1.321 1018 L HN 0.323 nan 8.230 nan 0.000 0.413 1019 V N 1.440 121.493 119.914 0.231 0.000 2.378 1019 V HA 0.365 4.485 4.120 -0.000 0.000 0.288 1019 V C -0.996 175.271 176.094 0.289 0.000 1.016 1019 V CA -0.415 62.024 62.300 0.233 0.000 0.840 1019 V CB 1.821 33.754 31.823 0.182 0.000 0.994 1019 V HN 0.596 nan 8.190 nan 0.000 0.431 1020 W N 7.010 128.377 121.300 0.111 0.000 2.478 1020 W HA 0.722 5.382 4.660 -0.000 0.000 0.318 1020 W C -0.180 176.352 176.519 0.022 0.000 1.062 1020 W CA -1.046 56.299 57.345 0.000 0.000 1.210 1020 W CB 1.498 31.014 29.460 0.094 0.000 1.325 1020 W HN 0.867 nan 8.180 nan 0.000 0.496 1021 C N 3.242 122.808 119.300 0.443 0.000 3.314 1021 C HA 0.531 4.991 4.460 -0.000 0.000 0.344 1021 C C -0.682 174.425 174.990 0.196 0.000 1.461 1021 C CA -0.930 58.261 59.018 0.289 0.000 1.249 1021 C CB 1.539 29.388 27.740 0.182 0.000 1.632 1021 C HN 0.693 nan 8.230 nan 0.000 0.452 1022 Q N 1.780 121.650 119.800 0.117 0.000 2.349 1022 Q HA 0.320 4.660 4.340 -0.000 0.000 0.254 1022 Q C 0.202 176.201 176.000 -0.002 0.000 0.980 1022 Q CA -0.093 55.724 55.803 0.023 0.000 0.924 1022 Q CB 0.819 29.555 28.738 -0.004 0.000 1.209 1022 Q HN 0.751 nan 8.270 nan 0.000 0.445 1023 K N 0.000 120.377 120.400 -0.038 0.000 2.780 1023 K HA 0.000 4.320 4.320 -0.000 0.000 0.191 1023 K CA 0.000 56.270 56.287 -0.028 0.000 0.838 1023 K CB 0.000 32.476 32.500 -0.041 0.000 1.064 1023 K HN 0.000 nan 8.250 nan 0.000 0.543