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 3dym_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 ANIETEGMVP MNRLTDDPRW LPAMSERVTR MVQRDRNHPS VIIWSLGNES DATA SEQUENCE GHGANHDALY RWIKSVDPSR PVQYEGGGAD TTATDIICPM YARVDEDQPF DATA SEQUENCE PAVPKWSIKK WLSLPGETRP LILCEYAHAM 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 0.000 176.073 176.300 -0.378 0.000 0.893 13 R CA 0.000 55.955 56.100 -0.241 0.000 0.921 13 R CB 0.000 30.151 30.300 -0.249 0.000 0.687 14 R N 1.248 121.413 120.500 -0.558 0.000 3.050 14 R HA 0.188 4.537 4.340 0.016 0.000 0.275 14 R C -0.334 175.382 176.300 -0.973 0.000 1.373 14 R CA -0.376 54.977 56.100 -1.244 0.000 1.612 14 R CB 0.447 30.183 30.300 -0.941 0.000 1.218 14 R HN 0.490 nan 8.270 nan 0.000 0.621 15 D N 0.915 120.950 120.400 -0.608 0.000 2.309 15 D HA -0.177 4.473 4.640 0.016 0.000 0.212 15 D C 1.318 177.534 176.300 -0.141 0.000 0.968 15 D CA 1.131 54.886 54.000 -0.407 0.000 0.882 15 D CB 0.178 40.575 40.800 -0.672 0.000 0.918 15 D HN 0.633 nan 8.370 nan 0.000 0.503 16 W N 0.999 122.319 121.300 0.033 0.000 3.180 16 W HA 0.232 4.901 4.660 0.016 0.000 0.254 16 W C 0.672 177.291 176.519 0.166 0.000 1.318 16 W CA -0.268 57.197 57.345 0.201 0.000 1.608 16 W CB -0.143 29.474 29.460 0.263 0.000 1.124 16 W HN -0.203 nan 8.180 nan 0.000 0.694 17 E N 0.998 121.113 120.200 -0.143 0.000 2.995 17 E HA 0.050 4.410 4.350 0.016 0.000 0.203 17 E C -0.777 175.709 176.600 -0.191 0.000 0.980 17 E CA -0.204 56.138 56.400 -0.097 0.000 1.172 17 E CB -0.158 29.482 29.700 -0.100 0.000 1.088 17 E HN 0.002 nan 8.360 nan 0.000 0.463 18 N N 0.910 119.515 118.700 -0.159 0.000 2.594 18 N HA 0.151 4.901 4.740 0.016 0.000 0.280 18 N C -2.367 173.012 175.510 -0.219 0.000 1.156 18 N CA -1.996 50.922 53.050 -0.219 0.000 0.831 18 N CB 1.489 39.854 38.487 -0.204 0.000 1.379 18 N HN -0.183 nan 8.380 nan 0.000 0.536 19 P HA 0.076 nan 4.420 nan 0.000 0.234 19 P C 1.004 178.049 177.300 -0.424 0.000 1.167 19 P CA 0.616 63.376 63.100 -0.567 0.000 0.763 19 P CB 0.176 31.080 31.700 -1.326 0.000 0.835 20 G N -0.619 107.992 108.800 -0.316 0.000 2.683 20 G HA2 0.067 4.036 3.960 0.016 0.000 0.213 20 G HA3 0.067 4.036 3.960 0.016 0.000 0.213 20 G C 0.252 175.072 174.900 -0.133 0.000 1.142 20 G CA 0.167 45.133 45.100 -0.223 0.000 0.793 20 G HN 0.194 nan 8.290 nan 0.000 0.534 21 V N 2.001 121.853 119.914 -0.103 0.000 2.304 21 V HA 0.295 4.425 4.120 0.016 0.000 0.278 21 V C 0.821 176.967 176.094 0.088 0.000 1.018 21 V CA 0.125 62.412 62.300 -0.022 0.000 0.814 21 V CB 1.106 32.888 31.823 -0.068 0.000 1.021 21 V HN 0.326 nan 8.190 nan 0.000 0.440 22 T N 0.721 115.330 114.554 0.092 0.000 3.054 22 T HA 0.409 4.768 4.350 0.016 0.000 0.255 22 T C 0.196 174.966 174.700 0.117 0.000 1.035 22 T CA -0.042 62.127 62.100 0.115 0.000 0.941 22 T CB 0.187 69.067 68.868 0.020 0.000 1.026 22 T HN 0.721 nan 8.240 nan 0.000 0.533 23 Q N 0.015 119.943 119.800 0.214 0.000 2.848 23 Q HA 0.642 4.992 4.340 0.016 0.000 0.288 23 Q C -2.324 173.838 176.000 0.270 0.000 0.907 23 Q CA -1.046 54.873 55.803 0.194 0.000 0.792 23 Q CB 0.633 29.387 28.738 0.025 0.000 1.534 23 Q HN 0.204 nan 8.270 nan 0.000 0.419 24 L N 1.586 122.993 121.223 0.307 0.000 2.464 24 L HA 0.612 4.961 4.340 0.016 0.000 0.266 24 L C -0.612 176.403 176.870 0.242 0.000 0.965 24 L CA -0.925 54.088 54.840 0.288 0.000 0.833 24 L CB 2.010 44.343 42.059 0.457 0.000 1.296 24 L HN 0.857 nan 8.230 nan 0.000 0.405 25 N N 1.002 119.808 118.700 0.177 0.000 2.708 25 N HA -0.215 4.534 4.740 0.016 0.000 0.251 25 N C 0.103 175.717 175.510 0.172 0.000 1.123 25 N CA 0.831 53.974 53.050 0.155 0.000 0.739 25 N CB -0.855 37.685 38.487 0.089 0.000 1.113 25 N HN 0.634 nan 8.380 nan 0.000 0.561 26 R N 0.762 121.300 120.500 0.062 0.000 2.441 26 R HA 0.399 4.749 4.340 0.016 0.000 0.284 26 R C 0.508 176.696 176.300 -0.187 0.000 1.070 26 R CA -0.405 55.543 56.100 -0.254 0.000 1.047 26 R CB 0.570 30.691 30.300 -0.298 0.000 1.016 26 R HN 0.124 nan 8.270 nan 0.000 0.477 27 L N 3.028 124.105 121.223 -0.243 0.000 2.453 27 L HA 0.287 4.636 4.340 0.016 0.000 0.261 27 L C 0.727 177.552 176.870 -0.076 0.000 1.179 27 L CA -0.489 54.291 54.840 -0.101 0.000 0.813 27 L CB 0.792 42.816 42.059 -0.058 0.000 1.110 27 L HN 0.776 nan 8.230 nan 0.000 0.466 28 A N 1.476 124.290 122.820 -0.011 0.000 2.507 28 A HA 0.464 4.794 4.320 0.016 0.000 0.235 28 A C 0.294 177.893 177.584 0.025 0.000 1.070 28 A CA 0.142 52.182 52.037 0.005 0.000 0.768 28 A CB 0.103 19.126 19.000 0.037 0.000 1.011 28 A HN 0.804 nan 8.150 nan 0.000 0.502 29 A N 0.954 123.742 122.820 -0.053 0.000 2.304 29 A HA 0.736 5.066 4.320 0.016 0.000 0.271 29 A C 0.019 177.507 177.584 -0.162 0.000 1.091 29 A CA 0.322 52.244 52.037 -0.191 0.000 0.812 29 A CB 0.089 18.966 19.000 -0.205 0.000 1.056 29 A HN 1.863 nan 8.150 nan 0.000 0.489 30 H N -2.252 116.659 119.070 -0.265 0.000 2.917 30 H HA 0.644 5.209 4.556 0.016 0.000 0.299 30 H C -3.366 171.667 175.328 -0.491 0.000 1.418 30 H CA -1.843 53.982 56.048 -0.372 0.000 1.138 30 H CB 0.139 29.582 29.762 -0.530 0.000 1.830 30 H HN 0.384 nan 8.280 nan 0.000 0.514 31 P HA 0.209 nan 4.420 nan 0.000 0.274 31 P C -2.578 174.522 177.300 -0.333 0.000 1.256 31 P CA -1.515 61.354 63.100 -0.385 0.000 0.795 31 P CB -0.349 31.054 31.700 -0.496 0.000 1.038 32 P HA 0.052 nan 4.420 nan 0.000 0.260 32 P C -0.679 176.805 177.300 0.306 0.000 1.185 32 P CA 1.175 64.299 63.100 0.039 0.000 0.763 32 P CB -0.185 31.582 31.700 0.112 0.000 0.776 33 F N 1.500 121.547 119.950 0.162 0.000 2.556 33 F HA 0.580 5.116 4.527 0.016 0.000 0.327 33 F C 1.005 176.736 175.800 -0.116 0.000 1.059 33 F CA -1.006 57.040 58.000 0.077 0.000 0.953 33 F CB 2.140 41.143 39.000 0.006 0.000 1.227 33 F HN 0.206 nan 8.300 nan 0.000 0.478 34 A N 0.542 123.287 122.820 -0.126 0.000 2.653 34 A HA 0.221 4.550 4.320 0.016 0.000 0.248 34 A C 0.604 177.902 177.584 -0.478 0.000 1.211 34 A CA 0.392 52.097 52.037 -0.553 0.000 0.991 34 A CB -0.095 18.005 19.000 -1.500 0.000 1.252 34 A HN 0.755 nan 8.150 nan 0.000 0.593 35 S N 0.378 115.915 115.700 -0.271 0.000 3.477 35 S HA -0.154 4.326 4.470 0.016 0.000 0.371 35 S C -0.055 174.499 174.600 -0.077 0.000 0.965 35 S CA 0.397 58.489 58.200 -0.180 0.000 1.239 35 S CB -1.552 61.523 63.200 -0.208 0.000 0.918 35 S HN 0.465 nan 8.310 nan 0.000 0.498 36 W N 1.881 123.163 121.300 -0.029 0.000 2.181 36 W HA 0.253 4.922 4.660 0.015 0.000 0.335 36 W C 1.314 177.823 176.519 -0.018 0.000 1.310 36 W CA -0.580 56.761 57.345 -0.007 0.000 1.226 36 W CB 0.335 29.787 29.460 -0.013 0.000 1.155 36 W HN 0.348 nan 8.180 nan 0.000 0.565 37 R N 2.207 122.848 120.500 0.235 0.000 2.546 37 R HA 0.072 4.422 4.340 0.016 0.000 0.320 37 R C -0.013 176.355 176.300 0.114 0.000 1.021 37 R CA -0.090 56.092 56.100 0.136 0.000 1.088 37 R CB -0.164 30.200 30.300 0.107 0.000 1.278 37 R HN 0.347 nan 8.270 nan 0.000 0.557 38 N N 0.085 118.862 118.700 0.129 0.000 2.454 38 N HA 0.109 4.859 4.740 0.016 0.000 0.291 38 N C -0.049 175.435 175.510 -0.044 0.000 1.079 38 N CA -0.021 53.053 53.050 0.041 0.000 0.893 38 N CB 1.816 40.330 38.487 0.045 0.000 1.512 38 N HN -0.268 nan 8.380 nan 0.000 0.497 39 S N 2.411 118.064 115.700 -0.077 0.000 2.383 39 S HA -0.189 4.290 4.470 0.016 0.000 0.229 39 S C 1.397 175.831 174.600 -0.276 0.000 1.030 39 S CA 1.446 59.552 58.200 -0.157 0.000 1.002 39 S CB -0.015 63.118 63.200 -0.111 0.000 0.829 39 S HN 0.780 nan 8.310 nan 0.000 0.467 40 E N 1.319 121.381 120.200 -0.231 0.000 2.150 40 E HA -0.120 4.239 4.350 0.016 0.000 0.193 40 E C 1.855 178.259 176.600 -0.326 0.000 0.985 40 E CA 1.028 57.254 56.400 -0.290 0.000 0.814 40 E CB -0.106 29.476 29.700 -0.198 0.000 0.752 40 E HN 0.244 nan 8.360 nan 0.000 0.466 41 E N 0.219 120.254 120.200 -0.275 0.000 2.106 41 E HA -0.101 4.258 4.350 0.016 0.000 0.192 41 E C 1.979 178.095 176.600 -0.807 0.000 0.984 41 E CA 1.073 57.291 56.400 -0.303 0.000 0.806 41 E CB -0.482 29.179 29.700 -0.065 0.000 0.750 41 E HN 0.392 nan 8.360 nan 0.000 0.458 42 A N 1.588 123.694 122.820 -1.190 0.000 1.877 42 A HA -0.213 4.116 4.320 0.016 0.000 0.216 42 A C 2.246 179.181 177.584 -1.082 0.000 1.186 42 A CA 1.785 52.661 52.037 -1.935 0.000 0.620 42 A CB -0.543 17.844 19.000 -1.022 0.000 0.822 42 A HN 0.163 nan 8.150 nan 0.000 0.443 43 R N -0.211 119.866 120.500 -0.705 0.000 2.091 43 R HA -0.156 4.194 4.340 0.016 0.000 0.238 43 R C 2.009 178.041 176.300 -0.447 0.000 1.136 43 R CA 2.223 57.969 56.100 -0.589 0.000 0.959 43 R CB -0.556 29.280 30.300 -0.774 0.000 0.856 43 R HN 0.634 nan 8.270 nan 0.000 0.437 44 T N -2.662 111.654 114.554 -0.396 0.000 3.148 44 T HA 0.031 4.391 4.350 0.016 0.000 0.253 44 T C 0.378 174.990 174.700 -0.147 0.000 1.134 44 T CA 0.649 62.610 62.100 -0.232 0.000 1.051 44 T CB 0.044 68.808 68.868 -0.173 0.000 0.959 44 T HN 0.396 nan 8.240 nan 0.000 0.525 45 D N 0.377 120.646 120.400 -0.219 0.000 3.068 45 D HA -0.152 4.497 4.640 0.016 0.000 0.218 45 D C 0.158 176.593 176.300 0.225 0.000 1.145 45 D CA 0.469 54.498 54.000 0.048 0.000 0.896 45 D CB -1.147 39.721 40.800 0.114 0.000 1.105 45 D HN 0.558 nan 8.370 nan 0.000 0.423 46 R N 0.063 120.656 120.500 0.156 0.000 2.637 46 R HA 0.475 4.824 4.340 0.016 0.000 0.269 46 R C -2.127 174.462 176.300 0.482 0.000 1.089 46 R CA -1.279 54.966 56.100 0.241 0.000 1.177 46 R CB 0.238 30.612 30.300 0.123 0.000 1.091 46 R HN 0.042 nan 8.270 nan 0.000 0.540 47 P HA -0.035 nan 4.420 nan 0.000 0.268 47 P C -0.878 176.571 177.300 0.248 0.000 1.208 47 P CA 0.172 63.408 63.100 0.226 0.000 0.777 47 P CB 0.738 32.518 31.700 0.133 0.000 0.875 48 S N 0.758 116.471 115.700 0.022 0.000 2.473 48 S HA 0.175 4.654 4.470 0.016 0.000 0.307 48 S C 0.816 175.434 174.600 0.031 0.000 1.094 48 S CA -0.434 57.728 58.200 -0.063 0.000 1.070 48 S CB 0.677 63.584 63.200 -0.489 0.000 1.019 48 S HN 0.335 nan 8.310 nan 0.000 0.480 49 Q N 1.888 121.753 119.800 0.107 0.000 2.488 49 Q HA 0.033 4.383 4.340 0.016 0.000 0.211 49 Q C 1.191 177.354 176.000 0.271 0.000 0.967 49 Q CA 0.784 56.680 55.803 0.156 0.000 0.926 49 Q CB 0.172 29.001 28.738 0.152 0.000 0.992 49 Q HN 0.648 nan 8.270 nan 0.000 0.506 50 Q N -0.446 119.476 119.800 0.203 0.000 2.425 50 Q HA 0.046 4.395 4.340 0.016 0.000 0.204 50 Q C -0.242 175.860 176.000 0.171 0.000 0.933 50 Q CA 0.308 56.243 55.803 0.221 0.000 0.939 50 Q CB 0.451 29.202 28.738 0.023 0.000 1.044 50 Q HN 0.149 nan 8.270 nan 0.000 0.513 51 L N 0.777 122.075 121.223 0.125 0.000 2.342 51 L HA 0.395 4.745 4.340 0.016 0.000 0.276 51 L C -1.059 175.882 176.870 0.118 0.000 0.997 51 L CA -0.252 54.638 54.840 0.084 0.000 0.838 51 L CB 1.284 43.308 42.059 -0.058 0.000 1.224 51 L HN -0.188 nan 8.230 nan 0.000 0.416 52 R N 2.592 123.189 120.500 0.163 0.000 2.637 52 R HA 0.598 4.948 4.340 0.016 0.000 0.291 52 R C -0.742 175.590 176.300 0.053 0.000 0.963 52 R CA -0.736 55.427 56.100 0.105 0.000 0.901 52 R CB 2.132 32.502 30.300 0.116 0.000 1.160 52 R HN 0.674 nan 8.270 nan 0.000 0.457 53 S N 2.277 117.998 115.700 0.036 0.000 2.525 53 S HA 0.284 4.763 4.470 0.016 0.000 0.278 53 S C 0.544 175.164 174.600 0.032 0.000 1.234 53 S CA -0.622 57.592 58.200 0.025 0.000 1.058 53 S CB 0.541 63.762 63.200 0.035 0.000 0.983 53 S HN 0.551 nan 8.310 nan 0.000 0.495 54 L N 3.771 125.018 121.223 0.040 0.000 2.818 54 L HA 0.306 4.656 4.340 0.016 0.000 0.243 54 L C 0.087 177.129 176.870 0.286 0.000 1.185 54 L CA -0.402 54.498 54.840 0.101 0.000 0.988 54 L CB -0.324 41.771 42.059 0.060 0.000 1.292 54 L HN 0.511 nan 8.230 nan 0.000 0.519 55 N N 1.340 120.144 118.700 0.173 0.000 2.508 55 N HA 0.504 5.254 4.740 0.016 0.000 0.264 55 N C 0.620 176.259 175.510 0.216 0.000 1.216 55 N CA 0.874 54.026 53.050 0.169 0.000 0.943 55 N CB 1.391 39.914 38.487 0.060 0.000 1.113 55 N HN 0.307 nan 8.380 nan 0.000 0.447 56 G N 0.536 109.484 108.800 0.247 0.000 2.288 56 G HA2 -0.063 3.906 3.960 0.016 0.000 0.227 56 G HA3 -0.063 3.906 3.960 0.016 0.000 0.227 56 G C -1.539 173.574 174.900 0.355 0.000 1.339 56 G CA -0.808 44.431 45.100 0.231 0.000 1.057 56 G HN 0.456 nan 8.290 nan 0.000 0.470 57 E N 0.083 120.468 120.200 0.308 0.000 2.223 57 E HA 0.451 4.810 4.350 0.016 0.000 0.282 57 E C -0.925 175.951 176.600 0.461 0.000 1.046 57 E CA -0.126 56.476 56.400 0.337 0.000 0.857 57 E CB 0.974 30.788 29.700 0.189 0.000 1.055 57 E HN 0.350 nan 8.360 nan 0.000 0.409 58 W N 1.658 123.054 121.300 0.160 0.000 2.894 58 W HA 0.407 5.076 4.660 0.016 0.000 0.345 58 W C 0.134 176.782 176.519 0.214 0.000 1.152 58 W CA -0.751 56.719 57.345 0.207 0.000 1.089 58 W CB 0.734 30.375 29.460 0.302 0.000 1.454 58 W HN 0.181 nan 8.180 nan 0.000 0.589 59 R N 1.479 122.277 120.500 0.496 0.000 2.407 59 R HA 0.561 4.910 4.340 0.016 0.000 0.303 59 R C -1.479 175.069 176.300 0.414 0.000 0.981 59 R CA -0.810 55.507 56.100 0.362 0.000 0.905 59 R CB 1.259 31.713 30.300 0.257 0.000 1.099 59 R HN 0.460 nan 8.270 nan 0.000 0.459 60 F N 0.632 120.624 119.950 0.070 0.000 2.578 60 F HA 0.643 5.180 4.527 0.016 0.000 0.311 60 F C -1.448 174.193 175.800 -0.264 0.000 1.094 60 F CA -0.590 57.304 58.000 -0.178 0.000 0.923 60 F CB 2.056 40.833 39.000 -0.372 0.000 1.230 60 F HN 0.618 nan 8.300 nan 0.000 0.450 61 A N 4.445 126.528 122.820 -1.228 0.000 2.488 61 A HA 0.528 4.857 4.320 0.016 0.000 0.298 61 A C -2.421 174.105 177.584 -1.763 0.000 1.044 61 A CA -0.486 50.847 52.037 -1.173 0.000 0.693 61 A CB 0.627 19.209 19.000 -0.697 0.000 1.272 61 A HN 0.919 nan 8.150 nan 0.000 0.402 62 W N 2.740 123.113 121.300 -1.544 0.000 2.417 62 W HA 0.740 5.409 4.660 0.016 0.000 0.317 62 W C -1.605 174.189 176.519 -1.207 0.000 1.121 62 W CA -0.105 56.502 57.345 -1.231 0.000 1.208 62 W CB 0.981 30.073 29.460 -0.615 0.000 1.253 62 W HN 0.510 nan 8.180 nan 0.000 0.533 63 F N 6.042 125.246 119.950 -1.243 0.000 2.603 63 F HA 0.380 4.916 4.527 0.016 0.000 0.317 63 F C -1.261 173.674 175.800 -1.442 0.000 1.066 63 F CA -2.110 55.341 58.000 -0.914 0.000 0.941 63 F CB 1.712 40.336 39.000 -0.626 0.000 1.291 63 F HN 0.189 nan 8.300 nan 0.000 0.472 64 P HA 0.088 nan 4.420 nan 0.000 0.222 64 P C -0.309 176.903 177.300 -0.147 0.000 1.153 64 P CA 0.993 63.953 63.100 -0.233 0.000 0.798 64 P CB 0.696 32.458 31.700 0.103 0.000 0.796 65 A N -0.996 121.736 122.820 -0.147 0.000 2.612 65 A HA 0.542 4.872 4.320 0.016 0.000 0.293 65 A C -2.395 175.077 177.584 -0.185 0.000 1.075 65 A CA -1.111 50.863 52.037 -0.105 0.000 0.680 65 A CB 0.521 19.518 19.000 -0.005 0.000 1.279 65 A HN -0.281 nan 8.150 nan 0.000 0.411 66 P HA -0.109 nan 4.420 nan 0.000 0.218 66 P C 0.697 177.896 177.300 -0.168 0.000 1.149 66 P CA 1.489 64.457 63.100 -0.220 0.000 0.817 66 P CB 0.215 31.770 31.700 -0.241 0.000 0.785 67 E N 0.201 120.358 120.200 -0.071 0.000 2.265 67 E HA -0.072 4.287 4.350 0.016 0.000 0.196 67 E C 1.973 178.479 176.600 -0.156 0.000 0.996 67 E CA 1.237 57.600 56.400 -0.062 0.000 0.832 67 E CB -0.969 28.732 29.700 0.001 0.000 0.756 67 E HN 0.244 nan 8.360 nan 0.000 0.491 68 A N 0.380 123.056 122.820 -0.239 0.000 2.251 68 A HA 0.109 4.438 4.320 0.016 0.000 0.209 68 A C 0.603 177.762 177.584 -0.710 0.000 1.187 68 A CA -0.140 51.717 52.037 -0.301 0.000 0.823 68 A CB 0.219 19.142 19.000 -0.128 0.000 0.846 68 A HN 0.037 nan 8.150 nan 0.000 0.486 69 V N 2.941 122.346 119.914 -0.849 0.000 2.455 69 V HA 0.216 4.345 4.120 0.016 0.000 0.273 69 V C -2.218 173.557 176.094 -0.531 0.000 1.045 69 V CA -1.556 60.067 62.300 -1.130 0.000 0.976 69 V CB 0.764 32.025 31.823 -0.937 0.000 0.993 69 V HN 0.297 nan 8.190 nan 0.000 0.475 70 P HA 0.246 nan 4.420 nan 0.000 0.276 70 P C 0.246 177.506 177.300 -0.068 0.000 1.230 70 P CA -0.365 62.640 63.100 -0.158 0.000 0.776 70 P CB 1.117 32.778 31.700 -0.066 0.000 0.888 71 E N 1.168 121.332 120.200 -0.061 0.000 2.265 71 E HA -0.138 4.222 4.350 0.016 0.000 0.196 71 E C 1.785 178.358 176.600 -0.045 0.000 0.996 71 E CA 1.433 57.798 56.400 -0.058 0.000 0.832 71 E CB -0.878 28.788 29.700 -0.057 0.000 0.756 71 E HN 0.553 nan 8.360 nan 0.000 0.491 72 S N -0.307 115.388 115.700 -0.008 0.000 2.419 72 S HA -0.184 4.296 4.470 0.016 0.000 0.233 72 S C 1.823 176.433 174.600 0.018 0.000 1.016 72 S CA 0.772 58.972 58.200 0.000 0.000 0.974 72 S CB -0.801 62.414 63.200 0.026 0.000 0.786 72 S HN 0.511 nan 8.310 nan 0.000 0.492 73 W N 2.647 123.868 121.300 -0.131 0.000 2.350 73 W HA -0.010 4.660 4.660 0.016 0.000 0.289 73 W C 1.556 177.978 176.519 -0.162 0.000 1.215 73 W CA 0.789 58.059 57.345 -0.124 0.000 1.236 73 W CB -0.469 28.902 29.460 -0.148 0.000 1.130 73 W HN 0.259 nan 8.180 nan 0.000 0.541 74 L N 0.232 121.229 121.223 -0.376 0.000 2.083 74 L HA -0.175 4.174 4.340 0.016 0.000 0.209 74 L C 2.589 179.212 176.870 -0.412 0.000 1.083 74 L CA 1.456 55.903 54.840 -0.656 0.000 0.752 74 L CB -0.705 41.006 42.059 -0.579 0.000 0.899 74 L HN -0.011 nan 8.230 nan 0.000 0.433 75 E N -0.781 119.281 120.200 -0.230 0.000 2.140 75 E HA 0.008 4.367 4.350 0.016 0.000 0.191 75 E C 0.491 177.022 176.600 -0.115 0.000 0.973 75 E CA 0.704 57.022 56.400 -0.137 0.000 0.829 75 E CB 0.556 30.212 29.700 -0.074 0.000 0.781 75 E HN 0.515 nan 8.360 nan 0.000 0.466 76 C N -0.397 118.848 119.300 -0.091 0.000 3.171 76 C HA 0.481 4.950 4.460 0.016 0.000 0.308 76 C C 0.045 175.039 174.990 0.007 0.000 1.334 76 C CA -1.693 57.298 59.018 -0.045 0.000 1.473 76 C CB 0.944 28.675 27.740 -0.014 0.000 1.866 76 C HN 0.148 nan 8.230 nan 0.000 0.465 77 D N -0.089 120.331 120.400 0.032 0.000 2.383 77 D HA 0.285 4.934 4.640 0.016 0.000 0.233 77 D C -0.729 175.651 176.300 0.134 0.000 1.233 77 D CA 0.394 54.457 54.000 0.105 0.000 0.881 77 D CB 0.432 41.281 40.800 0.080 0.000 1.212 77 D HN 0.547 nan 8.370 nan 0.000 0.467 78 L N 3.960 125.287 121.223 0.174 0.000 2.298 78 L HA 0.302 4.651 4.340 0.016 0.000 0.284 78 L C -1.263 175.658 176.870 0.085 0.000 1.013 78 L CA -1.647 53.272 54.840 0.131 0.000 0.824 78 L CB 1.752 43.887 42.059 0.127 0.000 1.221 78 L HN 0.478 nan 8.230 nan 0.000 0.418 79 P HA -0.252 nan 4.420 nan 0.000 0.220 79 P C 0.657 177.981 177.300 0.040 0.000 1.155 79 P CA 1.602 64.730 63.100 0.047 0.000 0.880 79 P CB 0.292 32.016 31.700 0.039 0.000 0.790 80 E N -0.267 119.952 120.200 0.032 0.000 2.435 80 E HA 0.223 4.582 4.350 0.016 0.000 0.195 80 E C 1.231 177.835 176.600 0.007 0.000 1.029 80 E CA 0.229 56.637 56.400 0.013 0.000 0.865 80 E CB -0.819 28.875 29.700 -0.010 0.000 0.833 80 E HN 0.284 nan 8.360 nan 0.000 0.510 81 A N 1.210 124.038 122.820 0.014 0.000 2.475 81 A HA 0.143 4.473 4.320 0.016 0.000 0.239 81 A C -0.069 177.562 177.584 0.077 0.000 1.087 81 A CA -0.058 51.987 52.037 0.012 0.000 0.779 81 A CB 0.213 19.245 19.000 0.054 0.000 1.036 81 A HN -0.026 nan 8.150 nan 0.000 0.506 82 D N -0.640 119.840 120.400 0.133 0.000 2.340 82 D HA 0.549 5.198 4.640 0.016 0.000 0.243 82 D C -0.617 175.791 176.300 0.180 0.000 0.988 82 D CA -0.007 54.089 54.000 0.160 0.000 0.959 82 D CB 1.436 42.385 40.800 0.248 0.000 1.226 82 D HN 0.382 nan 8.370 nan 0.000 0.509 83 T N 0.559 115.201 114.554 0.146 0.000 2.744 83 T HA 0.515 4.875 4.350 0.016 0.000 0.291 83 T C 0.099 174.881 174.700 0.138 0.000 0.957 83 T CA -0.530 61.666 62.100 0.160 0.000 1.002 83 T CB 0.608 69.549 68.868 0.122 0.000 0.919 83 T HN 0.252 nan 8.240 nan 0.000 0.468 84 V N 1.468 121.494 119.914 0.188 0.000 3.126 84 V HA 0.811 4.940 4.120 0.016 0.000 0.314 84 V C -0.336 175.880 176.094 0.203 0.000 1.138 84 V CA -1.000 61.375 62.300 0.125 0.000 1.034 84 V CB 1.737 33.631 31.823 0.118 0.000 1.075 84 V HN 0.507 nan 8.190 nan 0.000 0.442 85 V N 1.919 121.936 119.914 0.171 0.000 2.546 85 V HA 0.516 4.646 4.120 0.016 0.000 0.284 85 V C -0.001 176.173 176.094 0.133 0.000 1.050 85 V CA -0.120 62.278 62.300 0.163 0.000 0.981 85 V CB 1.394 33.280 31.823 0.105 0.000 0.990 85 V HN 0.748 nan 8.190 nan 0.000 0.474 86 V N 7.434 127.354 119.914 0.011 0.000 2.540 86 V HA 0.486 4.616 4.120 0.016 0.000 0.302 86 V C -2.287 173.717 176.094 -0.150 0.000 1.035 86 V CA -1.691 60.482 62.300 -0.212 0.000 0.873 86 V CB 2.611 33.979 31.823 -0.759 0.000 0.992 86 V HN 0.765 nan 8.190 nan 0.000 0.428 87 P HA 0.517 nan 4.420 nan 0.000 0.281 87 P C -0.989 176.239 177.300 -0.121 0.000 1.249 87 P CA -0.260 62.729 63.100 -0.186 0.000 0.810 87 P CB 1.529 33.123 31.700 -0.177 0.000 1.008 88 S N 0.152 115.782 115.700 -0.116 0.000 2.597 88 S HA 0.369 4.848 4.470 0.016 0.000 0.274 88 S C -1.305 173.202 174.600 -0.156 0.000 1.132 88 S CA -1.032 57.076 58.200 -0.153 0.000 0.835 88 S CB 0.239 63.297 63.200 -0.237 0.000 1.092 88 S HN 0.327 nan 8.310 nan 0.000 0.457 89 N N 1.227 119.791 118.700 -0.227 0.000 2.422 89 N HA 0.391 5.141 4.740 0.016 0.000 0.266 89 N C 0.729 176.058 175.510 -0.303 0.000 1.007 89 N CA -0.737 52.152 53.050 -0.268 0.000 0.941 89 N CB 0.581 38.893 38.487 -0.292 0.000 1.115 89 N HN 0.846 nan 8.380 nan 0.000 0.492 90 W N 2.917 124.085 121.300 -0.219 0.000 2.331 90 W HA -0.175 4.494 4.660 0.016 0.000 0.291 90 W C 1.010 177.536 176.519 0.011 0.000 1.214 90 W CA 0.976 58.206 57.345 -0.192 0.000 1.228 90 W CB -0.411 28.898 29.460 -0.252 0.000 1.135 90 W HN 0.512 nan 8.180 nan 0.000 0.537 91 Q N 0.241 120.045 119.800 0.007 0.000 2.291 91 Q HA -0.116 4.233 4.340 0.016 0.000 0.205 91 Q C 2.133 178.119 176.000 -0.024 0.000 0.970 91 Q CA 1.747 57.567 55.803 0.027 0.000 0.876 91 Q CB -0.554 28.073 28.738 -0.184 0.000 0.935 91 Q HN 0.266 nan 8.270 nan 0.000 0.455 92 M N -1.087 118.456 119.600 -0.096 0.000 2.394 92 M HA -0.051 4.438 4.480 0.016 0.000 0.264 92 M C 0.814 177.193 176.300 0.132 0.000 1.073 92 M CA 1.407 56.668 55.300 -0.064 0.000 1.111 92 M CB -0.596 31.939 32.600 -0.107 0.000 1.401 92 M HN 0.360 nan 8.290 nan 0.000 0.448 93 H N -0.855 118.279 119.070 0.106 0.000 2.551 93 H HA 0.279 4.844 4.556 0.016 0.000 0.271 93 H C 1.156 176.441 175.328 -0.073 0.000 0.984 93 H CA 0.110 56.215 56.048 0.095 0.000 1.164 93 H CB 0.343 30.295 29.762 0.316 0.000 1.437 93 H HN 0.556 nan 8.280 nan 0.000 0.550 94 G N 0.580 109.433 108.800 0.089 0.000 2.143 94 G HA2 -0.362 3.608 3.960 0.016 0.000 0.249 94 G HA3 -0.362 3.608 3.960 0.016 0.000 0.249 94 G C 0.346 175.129 174.900 -0.196 0.000 0.981 94 G CA 0.337 45.398 45.100 -0.066 0.000 0.665 94 G HN 0.468 nan 8.290 nan 0.000 0.528 95 Y N 1.488 121.810 120.300 0.036 0.000 2.352 95 Y HA 0.247 4.806 4.550 0.016 0.000 0.292 95 Y C 1.655 177.306 175.900 -0.415 0.000 1.136 95 Y CA 1.544 59.525 58.100 -0.198 0.000 1.227 95 Y CB 0.208 38.612 38.460 -0.093 0.000 0.991 95 Y HN 0.659 nan 8.280 nan 0.000 0.545 96 D N -1.947 118.517 120.400 0.106 0.000 2.692 96 D HA 0.458 5.108 4.640 0.016 0.000 0.303 96 D C -1.192 175.191 176.300 0.139 0.000 1.278 96 D CA -0.861 53.196 54.000 0.094 0.000 0.852 96 D CB 0.745 41.680 40.800 0.225 0.000 1.375 96 D HN -0.082 nan 8.370 nan 0.000 0.453 97 A N 0.243 123.155 122.820 0.153 0.000 2.331 97 A HA 0.654 4.984 4.320 0.016 0.000 0.283 97 A C -2.282 175.349 177.584 0.078 0.000 1.142 97 A CA -1.087 51.033 52.037 0.137 0.000 0.812 97 A CB -0.001 19.135 19.000 0.226 0.000 1.074 97 A HN 0.509 nan 8.150 nan 0.000 0.497 98 P HA 0.406 nan 4.420 nan 0.000 0.278 98 P C -0.884 176.578 177.300 0.270 0.000 1.238 98 P CA 0.051 63.097 63.100 -0.090 0.000 0.794 98 P CB 0.820 32.171 31.700 -0.582 0.000 0.955 99 I N 2.848 123.661 120.570 0.404 0.000 2.378 99 I HA 0.233 4.413 4.170 0.016 0.000 0.291 99 I C -0.238 176.032 176.117 0.255 0.000 0.992 99 I CA -0.931 60.597 61.300 0.381 0.000 1.154 99 I CB 1.267 39.429 38.000 0.270 0.000 1.315 99 I HN 0.292 nan 8.210 nan 0.000 0.448 100 Y N 6.344 126.541 120.300 -0.170 0.000 2.700 100 Y HA 0.442 5.001 4.550 0.016 0.000 0.333 100 Y C -0.112 175.613 175.900 -0.291 0.000 1.036 100 Y CA -0.304 57.400 58.100 -0.659 0.000 1.287 100 Y CB 0.798 38.227 38.460 -1.717 0.000 1.132 100 Y HN 0.541 nan 8.280 nan 0.000 0.510 101 T N 5.042 119.052 114.554 -0.907 0.000 2.863 101 T HA 0.253 4.612 4.350 0.016 0.000 0.285 101 T C 0.272 174.483 174.700 -0.815 0.000 1.009 101 T CA -0.580 61.055 62.100 -0.775 0.000 0.989 101 T CB 1.043 69.694 68.868 -0.362 0.000 1.004 101 T HN 0.746 nan 8.240 nan 0.000 0.455 102 N N 2.746 121.026 118.700 -0.700 0.000 2.358 102 N HA 0.069 4.819 4.740 0.016 0.000 0.209 102 N C 1.599 176.896 175.510 -0.356 0.000 1.033 102 N CA 1.254 54.042 53.050 -0.437 0.000 1.021 102 N CB -0.587 37.674 38.487 -0.377 0.000 1.244 102 N HN 0.391 nan 8.380 nan 0.000 0.523 103 V N 0.600 120.285 119.914 -0.382 0.000 2.436 103 V HA 0.085 4.214 4.120 0.016 0.000 0.240 103 V C 0.369 176.222 176.094 -0.402 0.000 1.040 103 V CA 0.914 62.988 62.300 -0.377 0.000 1.052 103 V CB -0.732 30.870 31.823 -0.368 0.000 0.707 103 V HN 0.348 nan 8.190 nan 0.000 0.469 104 T N 1.187 115.545 114.554 -0.328 0.000 2.871 104 T HA 0.092 4.451 4.350 0.016 0.000 0.296 104 T C -0.293 174.253 174.700 -0.257 0.000 0.998 104 T CA 0.260 62.207 62.100 -0.255 0.000 1.162 104 T CB -0.345 68.416 68.868 -0.178 0.000 0.947 104 T HN 0.190 nan 8.240 nan 0.000 0.536 105 Y N 4.591 124.799 120.300 -0.152 0.000 2.683 105 Y HA 0.074 4.633 4.550 0.016 0.000 0.340 105 Y C -0.857 174.917 175.900 -0.210 0.000 1.245 105 Y CA -1.609 56.383 58.100 -0.180 0.000 1.485 105 Y CB 0.382 38.724 38.460 -0.197 0.000 1.328 105 Y HN 0.519 nan 8.280 nan 0.000 0.603 106 P HA 0.034 nan 4.420 nan 0.000 0.245 106 P C -0.492 176.588 177.300 -0.366 0.000 1.212 106 P CA 1.006 64.000 63.100 -0.176 0.000 0.774 106 P CB -0.081 31.534 31.700 -0.142 0.000 0.999 107 I N -5.871 114.474 120.570 -0.375 0.000 3.191 107 I HA 0.482 4.662 4.170 0.016 0.000 0.313 107 I C -0.816 175.165 176.117 -0.226 0.000 1.193 107 I CA -1.291 59.750 61.300 -0.431 0.000 0.968 107 I CB 1.758 39.319 38.000 -0.732 0.000 1.262 107 I HN -0.473 nan 8.210 nan 0.000 0.456 108 T N 2.472 116.933 114.554 -0.154 0.000 2.902 108 T HA 0.180 4.539 4.350 0.016 0.000 0.301 108 T C 0.293 174.973 174.700 -0.034 0.000 1.012 108 T CA -0.380 61.686 62.100 -0.057 0.000 1.151 108 T CB 0.449 69.310 68.868 -0.012 0.000 0.946 108 T HN 0.395 nan 8.240 nan 0.000 0.542 109 V N 4.354 124.268 119.914 0.001 0.000 2.359 109 V HA 0.173 4.303 4.120 0.016 0.000 0.248 109 V C 0.836 176.988 176.094 0.096 0.000 1.091 109 V CA -0.136 62.188 62.300 0.040 0.000 1.103 109 V CB -0.791 31.051 31.823 0.032 0.000 1.176 109 V HN 0.880 nan 8.190 nan 0.000 0.488 110 N N 5.188 124.014 118.700 0.209 0.000 2.636 110 N HA 0.254 5.004 4.740 0.016 0.000 0.287 110 N C -2.904 172.687 175.510 0.136 0.000 1.817 110 N CA -1.432 51.732 53.050 0.191 0.000 0.842 110 N CB 1.193 39.833 38.487 0.254 0.000 1.353 110 N HN 0.277 nan 8.380 nan 0.000 0.500 111 P HA 0.092 nan 4.420 nan 0.000 0.261 111 P C -2.252 174.770 177.300 -0.463 0.000 1.173 111 P CA -0.538 62.074 63.100 -0.813 0.000 0.760 111 P CB 0.492 31.604 31.700 -0.982 0.000 0.783 112 P HA 0.225 nan 4.420 nan 0.000 0.269 112 P C -0.375 176.758 177.300 -0.278 0.000 1.478 112 P CA -0.245 62.566 63.100 -0.482 0.000 1.045 112 P CB 0.147 31.570 31.700 -0.461 0.000 1.512 113 F N 0.936 121.001 119.950 0.192 0.000 2.370 113 F HA 0.356 4.892 4.527 0.016 0.000 0.319 113 F C 1.344 177.319 175.800 0.291 0.000 1.129 113 F CA -0.831 57.294 58.000 0.209 0.000 1.109 113 F CB 0.683 39.753 39.000 0.116 0.000 1.262 113 F HN -0.235 nan 8.300 nan 0.000 0.534 114 V N -1.387 118.810 119.914 0.472 0.000 3.126 114 V HA 0.690 4.820 4.120 0.016 0.000 0.314 114 V C -2.729 173.527 176.094 0.269 0.000 1.138 114 V CA -2.773 59.714 62.300 0.311 0.000 1.034 114 V CB 1.384 33.439 31.823 0.387 0.000 1.075 114 V HN 0.524 nan 8.190 nan 0.000 0.442 115 P HA 0.157 nan 4.420 nan 0.000 0.267 115 P C 0.965 178.402 177.300 0.228 0.000 1.200 115 P CA 0.584 63.777 63.100 0.156 0.000 0.772 115 P CB 0.608 32.362 31.700 0.092 0.000 0.855 116 T N -1.651 113.009 114.554 0.176 0.000 2.962 116 T HA -0.071 4.289 4.350 0.016 0.000 0.270 116 T C 0.599 175.407 174.700 0.180 0.000 1.088 116 T CA 0.783 62.994 62.100 0.186 0.000 1.127 116 T CB -0.404 68.545 68.868 0.134 0.000 0.883 116 T HN 0.409 nan 8.240 nan 0.000 0.493 117 E N 2.294 122.603 120.200 0.181 0.000 2.001 117 E HA 0.283 4.643 4.350 0.016 0.000 0.279 117 E C -0.905 175.851 176.600 0.260 0.000 1.045 117 E CA -0.387 56.123 56.400 0.184 0.000 0.833 117 E CB 0.325 30.137 29.700 0.186 0.000 1.077 117 E HN 0.194 nan 8.360 nan 0.000 0.397 118 N N 4.543 123.365 118.700 0.204 0.000 2.576 118 N HA 0.254 5.003 4.740 0.016 0.000 0.269 118 N C -2.875 172.651 175.510 0.028 0.000 1.058 118 N CA -2.355 50.837 53.050 0.237 0.000 0.860 118 N CB 1.318 39.928 38.487 0.204 0.000 1.249 118 N HN 0.060 nan 8.380 nan 0.000 0.525 119 P HA 0.002 nan 4.420 nan 0.000 0.260 119 P C -0.825 176.336 177.300 -0.233 0.000 1.172 119 P CA 0.521 63.532 63.100 -0.148 0.000 0.760 119 P CB 0.309 32.245 31.700 0.393 0.000 0.773 120 T N 2.896 117.037 114.554 -0.688 0.000 2.791 120 T HA 0.533 4.893 4.350 0.016 0.000 0.288 120 T C 0.370 174.490 174.700 -0.967 0.000 0.999 120 T CA -0.577 61.178 62.100 -0.574 0.000 0.952 120 T CB 1.414 70.045 68.868 -0.395 0.000 0.938 120 T HN 0.341 nan 8.240 nan 0.000 0.444 121 G N 1.279 109.559 108.800 -0.866 0.000 2.347 121 G HA2 0.475 4.444 3.960 0.016 0.000 0.314 121 G HA3 0.475 4.444 3.960 0.016 0.000 0.314 121 G C -0.259 174.334 174.900 -0.512 0.000 1.126 121 G CA -0.375 44.111 45.100 -1.023 0.000 0.929 121 G HN 0.855 nan 8.290 nan 0.000 0.441 122 C N 3.389 122.146 119.300 -0.904 0.000 2.239 122 C HA 0.480 4.950 4.460 0.016 0.000 0.323 122 C C -0.500 174.379 174.990 -0.184 0.000 1.205 122 C CA -0.992 57.644 59.018 -0.638 0.000 1.584 122 C CB -1.558 25.371 27.740 -1.351 0.000 2.201 122 C HN 0.643 nan 8.230 nan 0.000 0.475 123 Y N 1.943 122.505 120.300 0.436 0.000 2.387 123 Y HA 0.650 5.210 4.550 0.016 0.000 0.330 123 Y C 0.800 177.191 175.900 0.819 0.000 1.133 123 Y CA -0.205 58.284 58.100 0.648 0.000 1.152 123 Y CB 1.417 40.211 38.460 0.556 0.000 1.215 123 Y HN 0.678 nan 8.280 nan 0.000 0.466 124 S N 2.105 118.352 115.700 0.911 0.000 2.537 124 S HA 0.756 5.236 4.470 0.016 0.000 0.271 124 S C -2.029 172.660 174.600 0.148 0.000 1.148 124 S CA -0.783 57.713 58.200 0.494 0.000 0.868 124 S CB 1.917 65.299 63.200 0.303 0.000 1.115 124 S HN 0.582 nan 8.310 nan 0.000 0.461 125 L N 1.241 122.347 121.223 -0.196 0.000 2.493 125 L HA 0.722 5.071 4.340 0.016 0.000 0.265 125 L C -0.883 175.908 176.870 -0.131 0.000 0.954 125 L CA 0.161 54.708 54.840 -0.489 0.000 0.844 125 L CB 2.335 43.570 42.059 -1.372 0.000 1.302 125 L HN 0.939 nan 8.230 nan 0.000 0.405 126 T N 5.505 120.015 114.554 -0.074 0.000 2.795 126 T HA 0.749 5.108 4.350 0.016 0.000 0.282 126 T C -0.794 173.948 174.700 0.070 0.000 0.980 126 T CA 0.027 62.129 62.100 0.005 0.000 1.012 126 T CB 0.338 69.183 68.868 -0.038 0.000 0.936 126 T HN 0.457 nan 8.240 nan 0.000 0.457 127 F N 1.313 121.188 119.950 -0.125 0.000 2.711 127 F HA 0.786 5.323 4.527 0.016 0.000 0.313 127 F C -1.177 174.573 175.800 -0.083 0.000 1.141 127 F CA -1.457 56.474 58.000 -0.114 0.000 0.941 127 F CB 1.325 40.246 39.000 -0.132 0.000 1.349 127 F HN 0.507 nan 8.300 nan 0.000 0.464 128 N N 0.049 118.607 118.700 -0.238 0.000 2.571 128 N HA 0.722 5.472 4.740 0.016 0.000 0.273 128 N C -1.450 173.988 175.510 -0.120 0.000 1.340 128 N CA -0.694 52.168 53.050 -0.313 0.000 0.789 128 N CB 2.251 40.608 38.487 -0.218 0.000 1.514 128 N HN 0.874 nan 8.380 nan 0.000 0.499 129 V N -3.439 116.387 119.914 -0.146 0.000 3.126 129 V HA 0.566 4.696 4.120 0.016 0.000 0.314 129 V C -0.516 175.382 176.094 -0.328 0.000 1.138 129 V CA -1.006 61.168 62.300 -0.209 0.000 1.034 129 V CB 1.840 33.675 31.823 0.021 0.000 1.075 129 V HN 0.820 nan 8.190 nan 0.000 0.442 130 D N 1.228 121.232 120.400 -0.661 0.000 2.493 130 D HA -0.042 4.608 4.640 0.016 0.000 0.240 130 D C 1.060 177.220 176.300 -0.233 0.000 1.142 130 D CA 0.761 54.443 54.000 -0.530 0.000 0.872 130 D CB 1.694 41.995 40.800 -0.832 0.000 1.173 130 D HN 0.927 nan 8.370 nan 0.000 0.467 131 E N 2.647 122.775 120.200 -0.120 0.000 2.169 131 E HA -0.276 4.084 4.350 0.016 0.000 0.202 131 E C 1.711 178.334 176.600 0.039 0.000 1.016 131 E CA 2.369 58.751 56.400 -0.031 0.000 0.817 131 E CB -0.247 29.439 29.700 -0.022 0.000 0.736 131 E HN 0.476 nan 8.360 nan 0.000 0.462 132 S N -1.098 114.638 115.700 0.060 0.000 2.442 132 S HA -0.142 4.338 4.470 0.016 0.000 0.236 132 S C 1.650 176.384 174.600 0.223 0.000 1.007 132 S CA 0.875 59.163 58.200 0.147 0.000 0.965 132 S CB -0.776 62.527 63.200 0.172 0.000 0.773 132 S HN 0.417 nan 8.310 nan 0.000 0.504 133 W N 1.661 122.833 121.300 -0.215 0.000 2.425 133 W HA 0.336 5.006 4.660 0.016 0.000 0.277 133 W C 1.910 178.391 176.519 -0.063 0.000 1.231 133 W CA -0.425 56.717 57.345 -0.339 0.000 1.248 133 W CB -0.816 28.423 29.460 -0.369 0.000 1.117 133 W HN 0.321 nan 8.180 nan 0.000 0.568 134 L N -0.494 120.843 121.223 0.189 0.000 2.341 134 L HA -0.084 4.265 4.340 0.016 0.000 0.214 134 L C 2.340 179.275 176.870 0.107 0.000 1.115 134 L CA 0.802 55.718 54.840 0.128 0.000 0.820 134 L CB -0.533 41.570 42.059 0.072 0.000 0.944 134 L HN -0.005 nan 8.230 nan 0.000 0.452 135 Q N -0.289 119.579 119.800 0.113 0.000 1.994 135 Q HA 0.004 4.353 4.340 0.016 0.000 0.198 135 Q C 0.148 176.210 176.000 0.103 0.000 0.976 135 Q CA 0.941 56.801 55.803 0.095 0.000 0.828 135 Q CB 0.430 29.221 28.738 0.088 0.000 0.894 135 Q HN 0.348 nan 8.270 nan 0.000 0.432 136 E N -1.868 118.418 120.200 0.143 0.000 2.454 136 E HA 0.490 4.850 4.350 0.016 0.000 0.279 136 E C -0.523 176.197 176.600 0.200 0.000 1.029 136 E CA 0.001 56.480 56.400 0.130 0.000 0.831 136 E CB 1.779 31.536 29.700 0.095 0.000 1.405 136 E HN 0.301 nan 8.360 nan 0.000 0.463 137 G N 0.913 109.755 108.800 0.069 0.000 2.757 137 G HA2 -0.212 3.758 3.960 0.016 0.000 0.638 137 G HA3 -0.212 3.758 3.960 0.016 0.000 0.638 137 G C -0.767 174.095 174.900 -0.063 0.000 1.344 137 G CA -0.260 44.786 45.100 -0.090 0.000 0.855 137 G HN 0.451 nan 8.290 nan 0.000 0.537 138 Q N -0.203 119.455 119.800 -0.236 0.000 2.307 138 Q HA 0.627 4.977 4.340 0.016 0.000 0.262 138 Q C -0.681 175.239 176.000 -0.133 0.000 0.961 138 Q CA -0.413 55.319 55.803 -0.119 0.000 0.882 138 Q CB 1.144 29.810 28.738 -0.119 0.000 1.264 138 Q HN 0.599 nan 8.270 nan 0.000 0.446 139 T N 5.306 119.885 114.554 0.043 0.000 2.770 139 T HA 0.498 4.857 4.350 0.016 0.000 0.283 139 T C -0.613 174.139 174.700 0.087 0.000 0.988 139 T CA -0.666 61.475 62.100 0.067 0.000 0.957 139 T CB 0.670 69.670 68.868 0.221 0.000 0.930 139 T HN 0.650 nan 8.240 nan 0.000 0.443 140 R N 2.642 123.169 120.500 0.045 0.000 2.892 140 R HA 0.781 5.131 4.340 0.016 0.000 0.265 140 R C -1.196 175.143 176.300 0.065 0.000 1.025 140 R CA -1.026 55.120 56.100 0.076 0.000 0.982 140 R CB 1.566 31.896 30.300 0.050 0.000 1.185 140 R HN 0.569 nan 8.270 nan 0.000 0.484 141 I N 2.118 122.738 120.570 0.083 0.000 2.412 141 I HA 0.430 4.610 4.170 0.016 0.000 0.296 141 I C -1.122 174.979 176.117 -0.027 0.000 0.987 141 I CA -1.254 60.038 61.300 -0.013 0.000 1.180 141 I CB 1.316 39.296 38.000 -0.034 0.000 1.340 141 I HN 0.601 nan 8.210 nan 0.000 0.455 142 I N 7.521 127.972 120.570 -0.198 0.000 2.418 142 I HA 0.286 4.465 4.170 0.016 0.000 0.287 142 I C -1.188 174.702 176.117 -0.378 0.000 1.008 142 I CA -0.345 60.859 61.300 -0.159 0.000 1.104 142 I CB 1.364 39.304 38.000 -0.100 0.000 1.264 142 I HN 0.397 nan 8.210 nan 0.000 0.438 143 F N 4.716 124.648 119.950 -0.030 0.000 2.313 143 F HA 0.248 4.784 4.527 0.016 0.000 0.369 143 F C 1.319 177.009 175.800 -0.182 0.000 1.109 143 F CA -0.428 57.488 58.000 -0.139 0.000 1.132 143 F CB 0.607 39.495 39.000 -0.187 0.000 1.291 143 F HN 0.475 nan 8.300 nan 0.000 0.496 144 D N 2.292 122.607 120.400 -0.141 0.000 2.218 144 D HA 0.012 4.662 4.640 0.016 0.000 0.204 144 D C 1.046 177.179 176.300 -0.278 0.000 0.976 144 D CA 1.003 54.872 54.000 -0.218 0.000 0.853 144 D CB 0.300 40.916 40.800 -0.308 0.000 0.939 144 D HN 0.621 nan 8.370 nan 0.000 0.481 145 G N -0.707 107.872 108.800 -0.368 0.000 2.682 145 G HA2 0.436 4.406 3.960 0.016 0.000 0.300 145 G HA3 0.436 4.406 3.960 0.016 0.000 0.300 145 G C -1.573 173.075 174.900 -0.422 0.000 1.396 145 G CA -0.476 44.313 45.100 -0.518 0.000 1.104 145 G HN -0.051 nan 8.290 nan 0.000 0.587 146 V N 2.450 122.341 119.914 -0.039 0.000 2.569 146 V HA 0.519 4.648 4.120 0.016 0.000 0.301 146 V C -0.829 175.375 176.094 0.183 0.000 1.044 146 V CA -1.185 61.112 62.300 -0.004 0.000 0.874 146 V CB 1.955 33.580 31.823 -0.330 0.000 1.002 146 V HN 0.715 nan 8.190 nan 0.000 0.424 147 N N 2.456 121.246 118.700 0.150 0.000 2.444 147 N HA 0.332 5.081 4.740 0.016 0.000 0.262 147 N C 0.664 176.105 175.510 -0.114 0.000 0.974 147 N CA 0.215 53.248 53.050 -0.029 0.000 0.933 147 N CB 2.154 40.465 38.487 -0.292 0.000 1.137 147 N HN 0.703 nan 8.380 nan 0.000 0.498 148 S N 1.974 117.645 115.700 -0.048 0.000 2.520 148 S HA 0.541 5.020 4.470 0.016 0.000 0.219 148 S C 0.340 174.993 174.600 0.089 0.000 1.028 148 S CA 0.034 58.255 58.200 0.034 0.000 0.921 148 S CB 0.355 63.593 63.200 0.063 0.000 0.844 148 S HN 0.630 nan 8.310 nan 0.000 0.495 149 A N 0.868 123.747 122.820 0.099 0.000 2.594 149 A HA 0.788 5.118 4.320 0.016 0.000 0.295 149 A C -1.211 176.424 177.584 0.085 0.000 1.071 149 A CA -0.977 51.074 52.037 0.023 0.000 0.685 149 A CB 0.987 20.054 19.000 0.111 0.000 1.285 149 A HN 1.038 nan 8.150 nan 0.000 0.405 150 F N -0.565 119.178 119.950 -0.346 0.000 2.693 150 F HA 0.751 5.288 4.527 0.016 0.000 0.309 150 F C -1.119 174.538 175.800 -0.239 0.000 1.129 150 F CA -0.802 57.088 58.000 -0.183 0.000 0.948 150 F CB 1.198 40.086 39.000 -0.188 0.000 1.315 150 F HN 0.598 nan 8.300 nan 0.000 0.447 151 H N 1.898 121.111 119.070 0.238 0.000 2.492 151 H HA 0.693 5.258 4.556 0.016 0.000 0.345 151 H C -1.438 173.798 175.328 -0.154 0.000 1.136 151 H CA -0.693 55.349 56.048 -0.009 0.000 1.202 151 H CB 2.424 32.154 29.762 -0.053 0.000 1.524 151 H HN 0.790 nan 8.280 nan 0.000 0.506 152 L N 3.306 124.254 121.223 -0.457 0.000 2.365 152 L HA 0.431 4.780 4.340 0.016 0.000 0.273 152 L C -1.599 174.894 176.870 -0.629 0.000 1.000 152 L CA -0.500 54.126 54.840 -0.356 0.000 0.819 152 L CB 1.445 43.252 42.059 -0.419 0.000 1.284 152 L HN 0.508 nan 8.230 nan 0.000 0.418 153 W N 4.364 125.624 121.300 -0.067 0.000 2.844 153 W HA 0.605 5.274 4.660 0.016 0.000 0.340 153 W C -1.176 175.271 176.519 -0.120 0.000 1.093 153 W CA -0.829 56.456 57.345 -0.100 0.000 1.212 153 W CB 2.018 31.463 29.460 -0.024 0.000 1.422 153 W HN 0.635 nan 8.180 nan 0.000 0.515 154 C N 4.727 124.091 119.300 0.106 0.000 2.446 154 C HA 0.306 4.775 4.460 0.016 0.000 0.329 154 C C 0.179 175.296 174.990 0.211 0.000 1.166 154 C CA -0.382 58.704 59.018 0.115 0.000 1.341 154 C CB -0.470 27.280 27.740 0.018 0.000 1.970 154 C HN 0.805 nan 8.230 nan 0.000 0.452 155 N N 3.774 122.563 118.700 0.149 0.000 2.725 155 N HA -0.190 4.559 4.740 0.016 0.000 0.251 155 N C 1.008 176.586 175.510 0.114 0.000 1.031 155 N CA 1.949 55.062 53.050 0.104 0.000 0.720 155 N CB -1.293 37.263 38.487 0.115 0.000 0.930 155 N HN 1.875 nan 8.380 nan 0.000 0.543 156 G N -1.167 107.687 108.800 0.089 0.000 2.205 156 G HA2 -0.381 3.589 3.960 0.016 0.000 0.261 156 G HA3 -0.381 3.589 3.960 0.016 0.000 0.261 156 G C 0.116 175.164 174.900 0.247 0.000 0.980 156 G CA 0.724 45.868 45.100 0.074 0.000 0.632 156 G HN 0.607 nan 8.290 nan 0.000 0.533 157 R N -1.001 119.712 120.500 0.354 0.000 2.346 157 R HA 0.453 4.802 4.340 0.016 0.000 0.311 157 R C -0.187 176.429 176.300 0.526 0.000 0.983 157 R CA -0.894 55.497 56.100 0.486 0.000 0.880 157 R CB 1.089 31.717 30.300 0.547 0.000 1.100 157 R HN 0.186 nan 8.270 nan 0.000 0.453 158 W N 3.810 125.321 121.300 0.352 0.000 2.308 158 W HA 0.048 4.717 4.660 0.016 0.000 0.324 158 W C 0.222 176.663 176.519 -0.130 0.000 1.387 158 W CA -0.006 57.288 57.345 -0.085 0.000 1.250 158 W CB 0.607 30.008 29.460 -0.098 0.000 1.257 158 W HN 0.392 nan 8.180 nan 0.000 0.554 159 V N 5.714 124.887 119.914 -1.234 0.000 2.521 159 V HA 0.492 4.621 4.120 0.016 0.000 0.239 159 V C 1.198 176.268 176.094 -1.706 0.000 1.053 159 V CA 1.252 62.779 62.300 -1.289 0.000 1.073 159 V CB -0.797 30.355 31.823 -1.118 0.000 0.746 159 V HN 0.825 nan 8.190 nan 0.000 0.476 160 G N -1.871 105.674 108.800 -2.092 0.000 2.325 160 G HA2 0.428 4.397 3.960 0.016 0.000 0.295 160 G HA3 0.428 4.397 3.960 0.016 0.000 0.295 160 G C -2.391 172.047 174.900 -0.770 0.000 1.274 160 G CA -0.220 44.028 45.100 -1.420 0.000 0.857 160 G HN 0.035 nan 8.290 nan 0.000 0.499 161 Y N -0.454 119.547 120.300 -0.498 0.000 2.562 161 Y HA 0.719 5.278 4.550 0.016 0.000 0.345 161 Y C -0.025 175.637 175.900 -0.396 0.000 1.045 161 Y CA -0.029 57.739 58.100 -0.552 0.000 1.028 161 Y CB 2.201 40.529 38.460 -0.221 0.000 1.297 161 Y HN 1.304 nan 8.280 nan 0.000 0.463 162 G N 3.276 111.160 108.800 -1.527 0.000 2.718 162 G HA2 0.590 4.560 3.960 0.016 0.000 0.295 162 G HA3 0.590 4.560 3.960 0.016 0.000 0.295 162 G C -2.115 172.235 174.900 -0.918 0.000 1.421 162 G CA -0.871 43.646 45.100 -0.971 0.000 0.902 162 G HN 0.612 nan 8.290 nan 0.000 0.501 163 Q N -0.319 119.240 119.800 -0.402 0.000 2.496 163 Q HA 0.569 4.919 4.340 0.016 0.000 0.286 163 Q C -1.391 174.600 176.000 -0.014 0.000 1.103 163 Q CA -0.800 54.924 55.803 -0.132 0.000 0.813 163 Q CB 2.679 31.406 28.738 -0.017 0.000 1.444 163 Q HN 0.648 nan 8.270 nan 0.000 0.443 164 D N -0.092 120.341 120.400 0.055 0.000 4.370 164 D HA -0.096 4.553 4.640 0.016 0.000 0.238 164 D C -0.482 175.878 176.300 0.101 0.000 1.104 164 D CA 0.509 54.557 54.000 0.080 0.000 1.101 164 D CB -0.672 40.160 40.800 0.053 0.000 0.749 164 D HN 0.552 nan 8.370 nan 0.000 0.351 165 S N 3.004 118.780 115.700 0.127 0.000 2.537 165 S HA -0.085 4.395 4.470 0.016 0.000 0.240 165 S C 1.542 176.281 174.600 0.231 0.000 0.981 165 S CA 0.598 58.909 58.200 0.185 0.000 0.948 165 S CB 0.247 63.517 63.200 0.118 0.000 0.759 165 S HN 0.482 nan 8.310 nan 0.000 0.531 166 R N 0.090 120.682 120.500 0.154 0.000 2.565 166 R HA 0.423 4.772 4.340 0.016 0.000 0.347 166 R C -0.433 175.923 176.300 0.094 0.000 1.010 166 R CA 0.041 56.231 56.100 0.150 0.000 1.126 166 R CB 0.217 30.620 30.300 0.172 0.000 1.331 166 R HN 0.326 nan 8.270 nan 0.000 0.552 167 L N 1.975 123.226 121.223 0.047 0.000 2.354 167 L HA 0.511 4.861 4.340 0.016 0.000 0.264 167 L C -2.336 174.510 176.870 -0.039 0.000 1.008 167 L CA -2.312 52.525 54.840 -0.005 0.000 0.819 167 L CB 2.788 44.835 42.059 -0.019 0.000 1.339 167 L HN -0.216 nan 8.230 nan 0.000 0.420 168 P HA 0.086 nan 4.420 nan 0.000 0.271 168 P C -0.966 176.297 177.300 -0.062 0.000 1.216 168 P CA -0.201 62.851 63.100 -0.080 0.000 0.776 168 P CB 1.076 32.689 31.700 -0.146 0.000 0.881 169 S N 1.877 117.601 115.700 0.040 0.000 2.498 169 S HA 0.319 4.799 4.470 0.016 0.000 0.317 169 S C -0.417 174.124 174.600 -0.099 0.000 1.090 169 S CA -0.514 57.664 58.200 -0.037 0.000 1.089 169 S CB 0.763 64.108 63.200 0.241 0.000 0.997 169 S HN 0.369 nan 8.310 nan 0.000 0.470 170 E N 1.887 121.822 120.200 -0.442 0.000 2.212 170 E HA 0.596 4.956 4.350 0.016 0.000 0.268 170 E C -1.429 174.723 176.600 -0.746 0.000 0.902 170 E CA -0.575 55.623 56.400 -0.336 0.000 0.779 170 E CB 1.597 31.223 29.700 -0.123 0.000 1.172 170 E HN 0.433 nan 8.360 nan 0.000 0.409 171 F N 0.650 120.656 119.950 0.093 0.000 2.556 171 F HA 0.219 4.755 4.527 0.016 0.000 0.314 171 F C -0.088 175.735 175.800 0.038 0.000 1.106 171 F CA -1.177 56.844 58.000 0.036 0.000 0.911 171 F CB 1.445 40.437 39.000 -0.013 0.000 1.190 171 F HN 0.257 nan 8.300 nan 0.000 0.448 172 D N 3.027 123.553 120.400 0.209 0.000 2.336 172 D HA 0.207 4.857 4.640 0.016 0.000 0.249 172 D C 0.439 176.881 176.300 0.237 0.000 1.213 172 D CA 0.298 54.403 54.000 0.175 0.000 0.870 172 D CB 0.941 41.827 40.800 0.144 0.000 1.076 172 D HN 0.594 nan 8.370 nan 0.000 0.483 173 L N 2.703 124.066 121.223 0.234 0.000 2.567 173 L HA -0.018 4.332 4.340 0.016 0.000 0.225 173 L C 2.207 179.329 176.870 0.420 0.000 1.119 173 L CA -0.159 54.873 54.840 0.321 0.000 0.871 173 L CB -0.106 42.106 42.059 0.256 0.000 1.036 173 L HN 0.316 nan 8.230 nan 0.000 0.459 174 S N 1.515 117.385 115.700 0.284 0.000 2.425 174 S HA -0.373 4.106 4.470 0.016 0.000 0.256 174 S C 1.912 176.617 174.600 0.175 0.000 1.101 174 S CA 2.185 60.510 58.200 0.207 0.000 1.188 174 S CB -0.380 62.900 63.200 0.133 0.000 1.085 174 S HN 0.591 nan 8.310 nan 0.000 0.439 175 A N -0.914 121.982 122.820 0.127 0.000 2.238 175 A HA 0.365 4.695 4.320 0.016 0.000 0.208 175 A C 1.239 178.690 177.584 -0.221 0.000 1.177 175 A CA 0.299 52.291 52.037 -0.075 0.000 0.804 175 A CB -0.442 18.427 19.000 -0.217 0.000 0.823 175 A HN 0.484 nan 8.150 nan 0.000 0.482 176 F N -0.755 119.247 119.950 0.086 0.000 2.727 176 F HA 0.341 4.878 4.527 0.016 0.000 0.302 176 F C 0.649 176.500 175.800 0.086 0.000 1.107 176 F CA -0.320 57.731 58.000 0.086 0.000 1.277 176 F CB 0.094 39.156 39.000 0.102 0.000 1.079 176 F HN -0.030 nan 8.300 nan 0.000 0.594 177 L N 2.155 123.545 121.223 0.278 0.000 2.439 177 L HA 0.317 4.667 4.340 0.016 0.000 0.269 177 L C 0.438 177.361 176.870 0.088 0.000 1.179 177 L CA -0.111 54.840 54.840 0.185 0.000 0.828 177 L CB 0.494 42.673 42.059 0.202 0.000 1.106 177 L HN 0.144 nan 8.230 nan 0.000 0.467 178 R N 1.828 122.342 120.500 0.023 0.000 2.855 178 R HA 0.822 5.171 4.340 0.016 0.000 0.266 178 R C -1.060 175.214 176.300 -0.043 0.000 1.034 178 R CA -0.959 55.137 56.100 -0.006 0.000 0.944 178 R CB 1.402 31.693 30.300 -0.014 0.000 1.219 178 R HN 0.529 nan 8.270 nan 0.000 0.474 179 A N 0.762 123.561 122.820 -0.035 0.000 2.462 179 A HA 0.503 4.832 4.320 0.016 0.000 0.243 179 A C 1.017 178.554 177.584 -0.079 0.000 1.076 179 A CA 0.969 52.977 52.037 -0.049 0.000 0.773 179 A CB -0.673 18.308 19.000 -0.033 0.000 1.010 179 A HN 1.364 nan 8.150 nan 0.000 0.493 180 G N 1.247 109.990 108.800 -0.096 0.000 2.488 180 G HA2 -0.170 3.800 3.960 0.016 0.000 0.237 180 G HA3 -0.170 3.800 3.960 0.016 0.000 0.237 180 G C -0.116 174.680 174.900 -0.174 0.000 1.209 180 G CA 0.187 45.220 45.100 -0.112 0.000 0.929 180 G HN 0.992 nan 8.290 nan 0.000 0.578 181 E N 1.543 121.642 120.200 -0.168 0.000 2.289 181 E HA 0.338 4.698 4.350 0.016 0.000 0.278 181 E C -0.041 176.387 176.600 -0.287 0.000 1.032 181 E CA -0.203 56.064 56.400 -0.222 0.000 0.854 181 E CB 0.378 29.992 29.700 -0.144 0.000 1.046 181 E HN 0.411 nan 8.360 nan 0.000 0.409 182 N N 2.636 121.030 118.700 -0.509 0.000 2.292 182 N HA 0.364 5.114 4.740 0.016 0.000 0.303 182 N C -0.859 174.455 175.510 -0.326 0.000 1.140 182 N CA -0.642 52.092 53.050 -0.527 0.000 0.788 182 N CB 2.230 40.158 38.487 -0.932 0.000 1.361 182 N HN 0.253 nan 8.380 nan 0.000 0.489 183 R N 1.992 122.467 120.500 -0.041 0.000 2.476 183 R HA 0.454 4.804 4.340 0.016 0.000 0.305 183 R C -1.128 175.263 176.300 0.152 0.000 0.965 183 R CA -0.476 55.662 56.100 0.063 0.000 0.867 183 R CB 0.948 31.233 30.300 -0.026 0.000 1.176 183 R HN 0.483 nan 8.270 nan 0.000 0.447 184 L N 2.961 124.293 121.223 0.182 0.000 2.343 184 L HA 0.705 5.055 4.340 0.016 0.000 0.275 184 L C -0.227 176.711 176.870 0.114 0.000 1.056 184 L CA -0.833 54.110 54.840 0.171 0.000 0.804 184 L CB 1.901 44.043 42.059 0.140 0.000 1.203 184 L HN 0.720 nan 8.230 nan 0.000 0.440 185 A N 3.225 126.125 122.820 0.132 0.000 2.357 185 A HA 0.696 5.026 4.320 0.016 0.000 0.295 185 A C -1.041 176.843 177.584 0.500 0.000 1.121 185 A CA -0.422 51.598 52.037 -0.029 0.000 0.742 185 A CB 1.406 19.828 19.000 -0.964 0.000 1.181 185 A HN 0.369 nan 8.150 nan 0.000 0.454 186 V N 3.820 124.200 119.914 0.776 0.000 2.378 186 V HA 0.424 4.554 4.120 0.016 0.000 0.288 186 V C 0.004 176.663 176.094 0.941 0.000 1.016 186 V CA -0.249 62.505 62.300 0.756 0.000 0.840 186 V CB 1.451 33.531 31.823 0.429 0.000 0.994 186 V HN 0.952 nan 8.190 nan 0.000 0.431 187 M N 6.364 126.560 119.600 0.993 0.000 2.055 187 M HA 0.512 5.002 4.480 0.016 0.000 0.347 187 M C -1.363 175.214 176.300 0.461 0.000 1.123 187 M CA -0.318 55.393 55.300 0.685 0.000 1.035 187 M CB 0.937 34.015 32.600 0.797 0.000 1.484 187 M HN 0.457 nan 8.290 nan 0.000 0.428 188 V N 6.660 126.798 119.914 0.372 0.000 2.394 188 V HA 0.404 4.533 4.120 0.016 0.000 0.282 188 V C -0.141 176.117 176.094 0.274 0.000 1.031 188 V CA -0.662 61.848 62.300 0.350 0.000 0.881 188 V CB 1.477 33.603 31.823 0.505 0.000 0.982 188 V HN 0.781 nan 8.190 nan 0.000 0.451 189 L N 4.670 125.981 121.223 0.147 0.000 2.307 189 L HA 0.556 4.905 4.340 0.016 0.000 0.282 189 L C 1.509 178.390 176.870 0.018 0.000 1.051 189 L CA -0.398 54.458 54.840 0.026 0.000 0.804 189 L CB 1.039 42.989 42.059 -0.181 0.000 1.197 189 L HN 0.560 nan 8.230 nan 0.000 0.431 190 R N 2.148 122.607 120.500 -0.067 0.000 2.070 190 R HA -0.054 4.295 4.340 0.016 0.000 0.233 190 R C -0.398 175.579 176.300 -0.539 0.000 1.137 190 R CA 1.534 57.347 56.100 -0.477 0.000 0.945 190 R CB 0.178 29.997 30.300 -0.802 0.000 0.845 190 R HN 0.584 nan 8.270 nan 0.000 0.430 191 W N -0.343 121.014 121.300 0.095 0.000 2.706 191 W HA 0.404 5.074 4.660 0.015 0.000 0.346 191 W C -0.248 176.370 176.519 0.164 0.000 1.071 191 W CA -0.787 56.619 57.345 0.102 0.000 1.206 191 W CB 1.699 31.220 29.460 0.101 0.000 1.413 191 W HN 0.019 nan 8.180 nan 0.000 0.542 192 S N -1.238 114.741 115.700 0.464 0.000 2.672 192 S HA 0.209 4.688 4.470 0.016 0.000 0.271 192 S C 0.070 174.926 174.600 0.427 0.000 1.171 192 S CA -0.382 58.103 58.200 0.476 0.000 0.817 192 S CB 1.109 64.565 63.200 0.427 0.000 1.150 192 S HN 0.620 nan 8.310 nan 0.000 0.478 193 D N 0.487 121.148 120.400 0.434 0.000 2.218 193 D HA 0.064 4.713 4.640 0.016 0.000 0.204 193 D C 1.825 178.433 176.300 0.514 0.000 0.976 193 D CA 1.256 55.557 54.000 0.502 0.000 0.853 193 D CB -0.782 40.177 40.800 0.266 0.000 0.939 193 D HN 0.706 nan 8.370 nan 0.000 0.481 194 G N 0.149 109.168 108.800 0.365 0.000 2.432 194 G HA2 -0.290 3.679 3.960 0.016 0.000 0.219 194 G HA3 -0.290 3.679 3.960 0.016 0.000 0.219 194 G C 1.741 176.826 174.900 0.308 0.000 1.135 194 G CA 0.812 46.097 45.100 0.309 0.000 0.767 194 G HN 0.313 nan 8.290 nan 0.000 0.550 195 S N -0.048 115.821 115.700 0.282 0.000 2.402 195 S HA -0.162 4.318 4.470 0.016 0.000 0.233 195 S C 1.938 176.628 174.600 0.150 0.000 1.030 195 S CA 1.078 59.409 58.200 0.218 0.000 1.003 195 S CB -0.433 62.907 63.200 0.233 0.000 0.813 195 S HN 0.580 nan 8.310 nan 0.000 0.477 196 Y N 0.978 121.373 120.300 0.159 0.000 2.421 196 Y HA 0.054 4.613 4.550 0.016 0.000 0.292 196 Y C 1.725 177.698 175.900 0.121 0.000 1.136 196 Y CA 0.642 58.738 58.100 -0.007 0.000 1.255 196 Y CB -0.140 38.221 38.460 -0.165 0.000 0.991 196 Y HN 0.202 nan 8.280 nan 0.000 0.552 197 L N -0.449 120.961 121.223 0.312 0.000 2.607 197 L HA 0.084 4.434 4.340 0.016 0.000 0.228 197 L C 0.150 177.160 176.870 0.232 0.000 1.123 197 L CA 0.454 55.440 54.840 0.244 0.000 0.890 197 L CB 0.066 42.274 42.059 0.248 0.000 1.103 197 L HN 0.154 nan 8.230 nan 0.000 0.468 198 E N -0.159 120.191 120.200 0.250 0.000 3.105 198 E HA 0.028 4.388 4.350 0.016 0.000 0.219 198 E C -0.384 176.336 176.600 0.200 0.000 1.064 198 E CA -0.105 56.430 56.400 0.225 0.000 1.342 198 E CB 0.368 30.188 29.700 0.201 0.000 1.295 198 E HN 0.028 nan 8.360 nan 0.000 0.438 199 D N 1.241 121.729 120.400 0.147 0.000 2.519 199 D HA 0.003 4.653 4.640 0.016 0.000 0.238 199 D C -0.221 176.066 176.300 -0.023 0.000 1.192 199 D CA -0.017 53.959 54.000 -0.040 0.000 0.835 199 D CB 0.068 40.630 40.800 -0.397 0.000 0.975 199 D HN 0.073 nan 8.370 nan 0.000 0.490 200 Q N 0.435 120.315 119.800 0.134 0.000 2.392 200 Q HA 0.107 4.457 4.340 0.016 0.000 0.262 200 Q C -0.066 176.043 176.000 0.182 0.000 1.003 200 Q CA 0.008 55.955 55.803 0.240 0.000 0.888 200 Q CB 0.618 29.669 28.738 0.522 0.000 1.260 200 Q HN 0.035 nan 8.270 nan 0.000 0.435 201 D N 3.315 123.841 120.400 0.209 0.000 2.482 201 D HA 0.128 4.778 4.640 0.016 0.000 0.244 201 D C -0.767 175.692 176.300 0.265 0.000 1.242 201 D CA 0.215 54.327 54.000 0.186 0.000 1.097 201 D CB -0.481 40.419 40.800 0.166 0.000 1.109 201 D HN 0.500 nan 8.370 nan 0.000 0.510 202 M N 0.230 119.956 119.600 0.209 0.000 3.012 202 M HA 0.345 4.835 4.480 0.016 0.000 0.272 202 M C -1.307 175.112 176.300 0.198 0.000 1.187 202 M CA -1.164 54.200 55.300 0.107 0.000 0.813 202 M CB 0.936 33.502 32.600 -0.056 0.000 1.626 202 M HN -0.095 nan 8.290 nan 0.000 0.507 203 W N 2.079 123.476 121.300 0.162 0.000 2.257 203 W HA 0.237 4.906 4.660 0.016 0.000 0.337 203 W C 0.321 176.856 176.519 0.026 0.000 1.321 203 W CA 0.002 57.420 57.345 0.121 0.000 1.267 203 W CB 0.353 29.813 29.460 0.000 0.000 1.187 203 W HN 0.302 nan 8.180 nan 0.000 0.565 204 R N 5.027 125.701 120.500 0.289 0.000 2.204 204 R HA 0.404 4.754 4.340 0.016 0.000 0.341 204 R C -0.118 176.193 176.300 0.018 0.000 1.035 204 R CA -0.201 55.991 56.100 0.153 0.000 0.887 204 R CB 0.161 30.619 30.300 0.263 0.000 1.114 204 R HN 0.544 nan 8.270 nan 0.000 0.473 205 M N 0.273 119.775 119.600 -0.163 0.000 2.792 205 M HA 0.538 5.027 4.480 0.016 0.000 0.290 205 M C -0.004 175.955 176.300 -0.568 0.000 1.155 205 M CA -0.838 54.248 55.300 -0.357 0.000 0.781 205 M CB 2.266 34.652 32.600 -0.357 0.000 1.741 205 M HN 0.626 nan 8.290 nan 0.000 0.473 206 S N -1.343 113.883 115.700 -0.791 0.000 2.636 206 S HA 0.939 5.418 4.470 0.016 0.000 0.268 206 S C -0.536 173.517 174.600 -0.912 0.000 1.159 206 S CA -0.199 57.444 58.200 -0.929 0.000 0.815 206 S CB 1.664 64.148 63.200 -1.193 0.000 1.130 206 S HN 1.479 nan 8.310 nan 0.000 0.471 207 G N 0.109 108.602 108.800 -0.512 0.000 2.306 207 G HA2 0.129 4.098 3.960 0.016 0.000 0.262 207 G HA3 0.129 4.098 3.960 0.016 0.000 0.262 207 G C -1.401 173.474 174.900 -0.041 0.000 1.263 207 G CA -0.521 44.620 45.100 0.068 0.000 1.088 207 G HN 1.257 nan 8.290 nan 0.000 0.489 208 I N 2.087 122.482 120.570 -0.291 0.000 2.316 208 I HA 0.315 4.494 4.170 0.016 0.000 0.286 208 I C 1.123 177.090 176.117 -0.249 0.000 1.107 208 I CA -0.281 60.754 61.300 -0.442 0.000 1.219 208 I CB -0.016 37.479 38.000 -0.843 0.000 1.455 208 I HN 0.524 nan 8.210 nan 0.000 0.498 209 F N 4.024 123.817 119.950 -0.262 0.000 2.776 209 F HA 0.433 4.970 4.527 0.015 0.000 0.300 209 F C 0.761 176.478 175.800 -0.138 0.000 1.116 209 F CA -0.344 57.538 58.000 -0.197 0.000 1.375 209 F CB 0.111 38.996 39.000 -0.192 0.000 1.109 209 F HN 0.117 nan 8.300 nan 0.000 0.585 210 R N 0.620 120.671 120.500 -0.749 0.000 2.930 210 R HA 0.217 4.567 4.340 0.016 0.000 0.257 210 R C -0.689 175.406 176.300 -0.341 0.000 1.107 210 R CA -1.136 54.647 56.100 -0.529 0.000 0.999 210 R CB 0.791 30.686 30.300 -0.674 0.000 1.209 210 R HN -0.011 nan 8.270 nan 0.000 0.486 211 D N 0.805 121.064 120.400 -0.235 0.000 2.474 211 D HA 0.055 4.705 4.640 0.016 0.000 0.232 211 D C -0.375 175.795 176.300 -0.217 0.000 1.177 211 D CA 0.545 54.442 54.000 -0.172 0.000 0.876 211 D CB 0.590 41.329 40.800 -0.101 0.000 1.208 211 D HN -0.011 nan 8.370 nan 0.000 0.464 212 V N 1.102 120.903 119.914 -0.189 0.000 2.540 212 V HA 0.503 4.633 4.120 0.016 0.000 0.302 212 V C 0.026 176.010 176.094 -0.184 0.000 1.035 212 V CA -0.522 61.606 62.300 -0.287 0.000 0.873 212 V CB 1.973 33.656 31.823 -0.233 0.000 0.992 212 V HN 0.535 nan 8.190 nan 0.000 0.428 213 S N 4.125 119.685 115.700 -0.233 0.000 2.627 213 S HA 0.815 5.295 4.470 0.016 0.000 0.283 213 S C -1.078 173.454 174.600 -0.112 0.000 1.127 213 S CA -0.724 57.406 58.200 -0.117 0.000 0.863 213 S CB 2.012 65.170 63.200 -0.070 0.000 1.121 213 S HN 0.515 nan 8.310 nan 0.000 0.479 214 L N 1.980 123.203 121.223 -0.001 0.000 2.362 214 L HA 0.669 5.019 4.340 0.016 0.000 0.275 214 L C -1.446 175.505 176.870 0.135 0.000 0.998 214 L CA -0.717 54.176 54.840 0.089 0.000 0.820 214 L CB 1.638 43.849 42.059 0.253 0.000 1.270 214 L HN 0.433 nan 8.230 nan 0.000 0.415 215 L N 3.229 124.478 121.223 0.045 0.000 2.381 215 L HA 0.434 4.784 4.340 0.016 0.000 0.274 215 L C -0.795 175.955 176.870 -0.200 0.000 0.988 215 L CA -0.083 54.729 54.840 -0.046 0.000 0.824 215 L CB 1.417 43.463 42.059 -0.022 0.000 1.263 215 L HN 0.525 nan 8.230 nan 0.000 0.410 216 H N 5.696 124.421 119.070 -0.576 0.000 2.597 216 H HA 0.420 4.985 4.556 0.016 0.000 0.303 216 H C -1.075 173.975 175.328 -0.464 0.000 1.057 216 H CA -0.652 54.907 56.048 -0.815 0.000 1.261 216 H CB 0.815 29.449 29.762 -1.880 0.000 1.397 216 H HN 0.550 nan 8.280 nan 0.000 0.461 217 K N 5.033 125.033 120.400 -0.667 0.000 2.258 217 K HA 0.404 4.734 4.320 0.016 0.000 0.236 217 K C -2.678 173.585 176.600 -0.562 0.000 1.008 217 K CA -1.975 54.008 56.287 -0.507 0.000 0.869 217 K CB 1.704 34.013 32.500 -0.318 0.000 1.171 217 K HN 0.480 nan 8.250 nan 0.000 0.447 218 P HA 0.101 nan 4.420 nan 0.000 0.276 218 P C 0.654 177.839 177.300 -0.191 0.000 1.252 218 P CA -0.179 62.771 63.100 -0.251 0.000 0.802 218 P CB 0.376 31.986 31.700 -0.148 0.000 1.035 219 T N -3.143 111.331 114.554 -0.133 0.000 2.867 219 T HA -0.038 4.321 4.350 0.016 0.000 0.268 219 T C 0.690 175.333 174.700 -0.094 0.000 1.057 219 T CA 1.268 63.309 62.100 -0.097 0.000 1.136 219 T CB -0.977 67.854 68.868 -0.061 0.000 0.874 219 T HN 0.276 nan 8.240 nan 0.000 0.466 220 T N 3.231 117.732 114.554 -0.089 0.000 2.781 220 T HA 0.489 4.849 4.350 0.016 0.000 0.305 220 T C -0.374 174.265 174.700 -0.101 0.000 1.001 220 T CA -0.761 61.281 62.100 -0.097 0.000 0.950 220 T CB 0.753 69.578 68.868 -0.072 0.000 0.955 220 T HN 0.706 nan 8.240 nan 0.000 0.471 221 Q N 2.438 122.166 119.800 -0.120 0.000 2.626 221 Q HA 0.616 4.965 4.340 0.016 0.000 0.300 221 Q C -1.170 174.763 176.000 -0.111 0.000 0.988 221 Q CA -1.193 54.533 55.803 -0.127 0.000 0.761 221 Q CB 1.236 29.873 28.738 -0.167 0.000 1.494 221 Q HN 0.418 nan 8.270 nan 0.000 0.439 222 I N 2.652 123.136 120.570 -0.144 0.000 2.421 222 I HA 0.032 4.211 4.170 0.016 0.000 0.291 222 I C 0.695 176.721 176.117 -0.152 0.000 1.089 222 I CA 0.055 61.288 61.300 -0.111 0.000 1.354 222 I CB 1.002 38.894 38.000 -0.180 0.000 1.413 222 I HN 0.865 nan 8.210 nan 0.000 0.513 223 S N 2.755 118.473 115.700 0.031 0.000 2.511 223 S HA 0.216 4.695 4.470 0.016 0.000 0.214 223 S C 0.209 175.014 174.600 0.342 0.000 0.997 223 S CA -0.253 58.030 58.200 0.140 0.000 0.908 223 S CB 0.322 63.557 63.200 0.058 0.000 0.803 223 S HN 0.690 nan 8.310 nan 0.000 0.504 224 D N -0.336 120.264 120.400 0.333 0.000 2.742 224 D HA 0.512 5.161 4.640 0.016 0.000 0.262 224 D C -1.959 174.543 176.300 0.336 0.000 1.240 224 D CA -0.631 53.579 54.000 0.350 0.000 0.752 224 D CB 1.636 42.526 40.800 0.150 0.000 1.290 224 D HN 0.225 nan 8.370 nan 0.000 0.420 225 F N -0.585 119.429 119.950 0.106 0.000 2.654 225 F HA 0.575 5.111 4.527 0.016 0.000 0.314 225 F C -1.774 174.102 175.800 0.128 0.000 1.116 225 F CA -0.716 57.287 58.000 0.005 0.000 1.017 225 F CB 0.985 40.026 39.000 0.069 0.000 1.285 225 F HN 0.265 nan 8.300 nan 0.000 0.448 226 H N 2.204 121.350 119.070 0.127 0.000 2.600 226 H HA 0.781 5.346 4.556 0.016 0.000 0.357 226 H C -1.339 174.035 175.328 0.077 0.000 1.106 226 H CA -1.579 54.474 56.048 0.008 0.000 1.193 226 H CB 2.700 32.448 29.762 -0.022 0.000 1.594 226 H HN 0.615 nan 8.280 nan 0.000 0.526 227 V N 2.146 122.163 119.914 0.171 0.000 2.448 227 V HA 0.658 4.787 4.120 0.016 0.000 0.295 227 V C -0.353 175.740 176.094 -0.002 0.000 1.025 227 V CA -0.552 61.800 62.300 0.087 0.000 0.859 227 V CB 1.331 33.200 31.823 0.077 0.000 0.988 227 V HN 0.937 nan 8.190 nan 0.000 0.431 228 A N 3.170 125.968 122.820 -0.037 0.000 2.401 228 A HA 0.919 5.248 4.320 0.016 0.000 0.310 228 A C -0.134 177.361 177.584 -0.148 0.000 1.075 228 A CA -0.519 51.476 52.037 -0.071 0.000 0.746 228 A CB 1.932 20.911 19.000 -0.035 0.000 1.277 228 A HN 0.909 nan 8.150 nan 0.000 0.425 229 T N 0.079 114.529 114.554 -0.173 0.000 2.815 229 T HA 0.712 5.072 4.350 0.016 0.000 0.289 229 T C -0.417 174.077 174.700 -0.343 0.000 1.000 229 T CA -0.642 61.279 62.100 -0.298 0.000 0.958 229 T CB 0.715 69.370 68.868 -0.354 0.000 0.944 229 T HN 0.676 nan 8.240 nan 0.000 0.442 230 R N 2.206 122.420 120.500 -0.478 0.000 2.664 230 R HA 0.779 5.128 4.340 0.016 0.000 0.286 230 R C -1.120 174.751 176.300 -0.714 0.000 0.967 230 R CA -0.730 55.145 56.100 -0.376 0.000 0.933 230 R CB 1.571 31.777 30.300 -0.156 0.000 1.146 230 R HN 0.550 nan 8.270 nan 0.000 0.468 231 F N 0.331 120.251 119.950 -0.050 0.000 2.611 231 F HA 0.343 4.879 4.527 0.014 0.000 0.324 231 F C 0.479 176.131 175.800 -0.248 0.000 1.061 231 F CA -1.122 56.783 58.000 -0.158 0.000 0.954 231 F CB 1.097 39.858 39.000 -0.397 0.000 1.301 231 F HN 0.537 nan 8.300 nan 0.000 0.482 232 N N 0.041 118.715 118.700 -0.043 0.000 2.379 232 N HA 0.038 4.787 4.740 0.016 0.000 0.260 232 N C 0.453 175.827 175.510 -0.225 0.000 1.254 232 N CA -0.167 52.825 53.050 -0.096 0.000 0.958 232 N CB 0.176 38.636 38.487 -0.046 0.000 1.208 232 N HN 0.665 nan 8.380 nan 0.000 0.532 233 D N -1.124 119.195 120.400 -0.135 0.000 2.190 233 D HA -0.253 4.397 4.640 0.016 0.000 0.200 233 D C 0.344 176.579 176.300 -0.107 0.000 0.992 233 D CA 1.644 55.574 54.000 -0.118 0.000 0.854 233 D CB -0.493 40.290 40.800 -0.028 0.000 0.936 233 D HN 0.764 nan 8.370 nan 0.000 0.462 234 D N -1.597 118.772 120.400 -0.051 0.000 2.501 234 D HA 0.016 4.665 4.640 0.016 0.000 0.224 234 D C 0.131 176.584 176.300 0.256 0.000 1.202 234 D CA -0.906 53.174 54.000 0.133 0.000 0.829 234 D CB -0.887 39.988 40.800 0.124 0.000 1.023 234 D HN 0.183 nan 8.370 nan 0.000 0.499 235 F N 0.426 120.432 119.950 0.093 0.000 2.953 235 F HA -0.295 4.241 4.527 0.014 0.000 0.292 235 F C 1.668 177.538 175.800 0.117 0.000 0.747 235 F CA 0.850 58.913 58.000 0.106 0.000 1.222 235 F CB -2.553 36.408 39.000 -0.065 0.000 1.457 235 F HN 0.185 nan 8.300 nan 0.000 0.383 236 S N -1.388 114.411 115.700 0.166 0.000 2.528 236 S HA 0.270 4.749 4.470 0.016 0.000 0.219 236 S C 0.666 175.314 174.600 0.080 0.000 0.985 236 S CA 0.151 58.419 58.200 0.114 0.000 0.914 236 S CB 0.401 63.646 63.200 0.075 0.000 0.776 236 S HN 0.479 nan 8.310 nan 0.000 0.526 237 R N -0.025 120.529 120.500 0.089 0.000 2.651 237 R HA 0.781 5.130 4.340 0.016 0.000 0.278 237 R C -1.387 174.941 176.300 0.047 0.000 1.010 237 R CA -0.226 55.895 56.100 0.036 0.000 0.896 237 R CB 2.268 32.566 30.300 -0.003 0.000 1.211 237 R HN 0.257 nan 8.270 nan 0.000 0.456 238 A N 1.557 124.345 122.820 -0.053 0.000 2.515 238 A HA 0.773 5.102 4.320 0.016 0.000 0.296 238 A C -1.398 176.098 177.584 -0.148 0.000 1.094 238 A CA -0.644 51.270 52.037 -0.206 0.000 0.718 238 A CB 2.057 20.916 19.000 -0.235 0.000 1.307 238 A HN 0.343 nan 8.150 nan 0.000 0.408 239 V N 1.504 121.304 119.914 -0.191 0.000 2.483 239 V HA 0.419 4.549 4.120 0.016 0.000 0.297 239 V C -0.600 175.434 176.094 -0.099 0.000 1.027 239 V CA -0.346 61.886 62.300 -0.112 0.000 0.855 239 V CB 1.412 33.170 31.823 -0.109 0.000 0.995 239 V HN 0.794 nan 8.190 nan 0.000 0.424 240 L N 4.945 126.150 121.223 -0.030 0.000 2.264 240 L HA 0.625 4.975 4.340 0.016 0.000 0.289 240 L C -0.018 176.815 176.870 -0.063 0.000 1.044 240 L CA 0.022 54.827 54.840 -0.060 0.000 0.807 240 L CB 1.057 43.108 42.059 -0.014 0.000 1.192 240 L HN 0.814 nan 8.230 nan 0.000 0.425 241 E N 4.710 124.868 120.200 -0.070 0.000 2.176 241 E HA 0.681 5.041 4.350 0.016 0.000 0.267 241 E C -1.562 175.028 176.600 -0.015 0.000 0.893 241 E CA -0.802 55.573 56.400 -0.042 0.000 0.761 241 E CB 1.806 31.480 29.700 -0.044 0.000 1.133 241 E HN 0.708 nan 8.360 nan 0.000 0.409 242 A N 4.544 127.361 122.820 -0.005 0.000 2.335 242 A HA 0.336 4.666 4.320 0.016 0.000 0.304 242 A C -0.826 176.761 177.584 0.005 0.000 1.118 242 A CA -0.705 51.350 52.037 0.031 0.000 0.757 242 A CB 1.184 20.198 19.000 0.025 0.000 1.188 242 A HN 0.750 nan 8.150 nan 0.000 0.460 243 E N 2.595 122.798 120.200 0.004 0.000 2.174 243 E HA 0.563 4.923 4.350 0.016 0.000 0.282 243 E C -1.366 175.188 176.600 -0.078 0.000 0.992 243 E CA -0.405 55.954 56.400 -0.069 0.000 0.803 243 E CB 1.176 30.796 29.700 -0.133 0.000 1.090 243 E HN 0.375 nan 8.360 nan 0.000 0.396 244 V N 4.567 124.456 119.914 -0.041 0.000 2.656 244 V HA 0.323 4.452 4.120 0.016 0.000 0.307 244 V C -0.472 175.674 176.094 0.086 0.000 1.051 244 V CA -0.855 61.467 62.300 0.037 0.000 0.893 244 V CB 1.689 33.519 31.823 0.011 0.000 0.999 244 V HN 0.755 nan 8.190 nan 0.000 0.426 245 Q N 3.958 123.820 119.800 0.104 0.000 2.345 245 Q HA 0.846 5.196 4.340 0.016 0.000 0.268 245 Q C -0.836 175.236 176.000 0.119 0.000 1.054 245 Q CA -0.875 54.991 55.803 0.105 0.000 0.835 245 Q CB 2.760 31.494 28.738 -0.006 0.000 1.339 245 Q HN 0.837 nan 8.270 nan 0.000 0.447 246 M N -0.965 118.643 119.600 0.013 0.000 2.690 246 M HA 0.769 5.259 4.480 0.016 0.000 0.302 246 M C -1.386 174.826 176.300 -0.147 0.000 1.234 246 M CA -0.512 54.716 55.300 -0.119 0.000 0.853 246 M CB 1.777 34.144 32.600 -0.389 0.000 1.748 246 M HN 0.506 nan 8.290 nan 0.000 0.469 247 C N 1.100 120.317 119.300 -0.137 0.000 2.547 247 C HA 1.024 5.494 4.460 0.016 0.000 0.313 247 C C 0.468 175.378 174.990 -0.133 0.000 1.191 247 C CA 0.623 59.574 59.018 -0.111 0.000 1.474 247 C CB 0.831 28.531 27.740 -0.066 0.000 2.081 247 C HN 1.385 nan 8.230 nan 0.000 0.476 248 G N 2.299 111.026 108.800 -0.121 0.000 2.331 248 G HA2 0.051 4.021 3.960 0.016 0.000 0.479 248 G HA3 0.051 4.021 3.960 0.016 0.000 0.479 248 G C -1.170 173.651 174.900 -0.131 0.000 1.262 248 G CA -0.657 44.374 45.100 -0.114 0.000 1.029 248 G HN 0.866 nan 8.290 nan 0.000 0.487 249 E N -0.075 120.055 120.200 -0.117 0.000 2.223 249 E HA 0.456 4.815 4.350 0.016 0.000 0.282 249 E C 0.232 176.724 176.600 -0.181 0.000 1.046 249 E CA -0.418 55.909 56.400 -0.121 0.000 0.857 249 E CB 0.404 30.055 29.700 -0.082 0.000 1.055 249 E HN 0.424 nan 8.360 nan 0.000 0.409 250 L N 4.806 125.910 121.223 -0.199 0.000 2.417 250 L HA 0.355 4.705 4.340 0.016 0.000 0.268 250 L C 0.478 177.198 176.870 -0.249 0.000 1.158 250 L CA -0.109 54.579 54.840 -0.253 0.000 0.819 250 L CB 0.652 42.581 42.059 -0.217 0.000 1.112 250 L HN 0.448 nan 8.230 nan 0.000 0.458 251 R N 1.143 121.430 120.500 -0.355 0.000 2.698 251 R HA 0.188 4.538 4.340 0.016 0.000 0.275 251 R C -0.351 175.679 176.300 -0.450 0.000 1.001 251 R CA -0.822 54.976 56.100 -0.502 0.000 0.896 251 R CB 1.673 31.341 30.300 -1.053 0.000 1.218 251 R HN 0.531 nan 8.270 nan 0.000 0.462 252 D N 0.946 121.177 120.400 -0.281 0.000 2.221 252 D HA -0.166 4.483 4.640 0.016 0.000 0.204 252 D C 1.515 177.770 176.300 -0.074 0.000 0.982 252 D CA 1.671 55.598 54.000 -0.121 0.000 0.857 252 D CB 0.000 40.783 40.800 -0.028 0.000 0.934 252 D HN 0.581 nan 8.370 nan 0.000 0.475 253 Y N -0.349 119.961 120.300 0.016 0.000 2.578 253 Y HA 0.258 4.817 4.550 0.016 0.000 0.297 253 Y C 0.599 176.500 175.900 0.002 0.000 1.176 253 Y CA -0.415 57.691 58.100 0.011 0.000 1.315 253 Y CB -1.023 37.444 38.460 0.011 0.000 1.031 253 Y HN -0.181 nan 8.280 nan 0.000 0.524 254 L N 2.191 123.371 121.223 -0.072 0.000 2.436 254 L HA 0.377 4.727 4.340 0.016 0.000 0.265 254 L C 0.279 177.146 176.870 -0.004 0.000 1.168 254 L CA -0.302 54.569 54.840 0.051 0.000 0.815 254 L CB 0.509 42.630 42.059 0.103 0.000 1.109 254 L HN 0.120 nan 8.230 nan 0.000 0.462 255 R N 1.118 121.508 120.500 -0.184 0.000 2.764 255 R HA 0.713 5.063 4.340 0.016 0.000 0.270 255 R C -1.614 174.371 176.300 -0.525 0.000 1.014 255 R CA -0.808 55.057 56.100 -0.390 0.000 0.904 255 R CB 2.046 32.048 30.300 -0.495 0.000 1.236 255 R HN 0.281 nan 8.270 nan 0.000 0.466 256 V N 0.629 120.272 119.914 -0.452 0.000 2.656 256 V HA 0.551 4.680 4.120 0.016 0.000 0.307 256 V C -0.380 175.660 176.094 -0.090 0.000 1.051 256 V CA -0.584 61.541 62.300 -0.291 0.000 0.893 256 V CB 2.367 33.943 31.823 -0.411 0.000 0.999 256 V HN 0.733 nan 8.190 nan 0.000 0.426 257 T N 3.535 118.136 114.554 0.077 0.000 2.841 257 T HA 0.659 5.018 4.350 0.016 0.000 0.283 257 T C -0.806 173.900 174.700 0.010 0.000 1.000 257 T CA -0.371 61.776 62.100 0.078 0.000 0.977 257 T CB 1.807 70.758 68.868 0.139 0.000 0.979 257 T HN 0.360 nan 8.240 nan 0.000 0.446 258 V N 2.947 122.850 119.914 -0.018 0.000 2.540 258 V HA 0.652 4.782 4.120 0.016 0.000 0.302 258 V C -0.272 175.820 176.094 -0.005 0.000 1.035 258 V CA -0.606 61.680 62.300 -0.024 0.000 0.873 258 V CB 2.062 33.859 31.823 -0.042 0.000 0.992 258 V HN 0.960 nan 8.190 nan 0.000 0.428 259 S N 4.417 120.142 115.700 0.043 0.000 2.542 259 S HA 0.774 5.254 4.470 0.016 0.000 0.293 259 S C -0.987 173.649 174.600 0.060 0.000 1.089 259 S CA -0.504 57.705 58.200 0.015 0.000 0.961 259 S CB 1.953 65.221 63.200 0.115 0.000 1.062 259 S HN 0.583 nan 8.310 nan 0.000 0.483 260 L N 2.452 123.615 121.223 -0.101 0.000 2.333 260 L HA 0.736 5.086 4.340 0.016 0.000 0.280 260 L C -2.055 174.765 176.870 -0.084 0.000 1.004 260 L CA -0.162 54.704 54.840 0.044 0.000 0.820 260 L CB 0.704 42.794 42.059 0.052 0.000 1.247 260 L HN 0.728 nan 8.230 nan 0.000 0.416 261 W N 3.656 125.058 121.300 0.170 0.000 2.666 261 W HA 0.583 5.253 4.660 0.016 0.000 0.334 261 W C -0.531 176.116 176.519 0.212 0.000 1.051 261 W CA -0.411 57.024 57.345 0.150 0.000 1.224 261 W CB 1.472 30.968 29.460 0.059 0.000 1.405 261 W HN 0.458 nan 8.180 nan 0.000 0.513 262 Q N 2.868 122.867 119.800 0.332 0.000 2.456 262 Q HA 0.502 4.852 4.340 0.016 0.000 0.252 262 Q C 0.680 176.746 176.000 0.110 0.000 1.042 262 Q CA 0.424 56.283 55.803 0.093 0.000 0.766 262 Q CB 0.511 29.261 28.738 0.020 0.000 1.196 262 Q HN 0.772 nan 8.270 nan 0.000 0.504 263 G N 2.852 111.710 108.800 0.096 0.000 2.547 263 G HA2 -0.349 3.621 3.960 0.016 0.000 0.271 263 G HA3 -0.349 3.621 3.960 0.016 0.000 0.271 263 G C 0.181 175.190 174.900 0.182 0.000 1.209 263 G CA 0.242 45.392 45.100 0.083 0.000 0.959 263 G HN 0.728 nan 8.290 nan 0.000 0.563 264 E N 0.595 120.881 120.200 0.144 0.000 2.463 264 E HA 0.172 4.532 4.350 0.016 0.000 0.191 264 E C 0.357 177.191 176.600 0.389 0.000 1.083 264 E CA 0.661 57.183 56.400 0.203 0.000 0.872 264 E CB 0.045 29.799 29.700 0.090 0.000 0.966 264 E HN 0.315 nan 8.360 nan 0.000 0.491 265 T N 1.435 116.187 114.554 0.331 0.000 2.767 265 T HA 0.104 4.464 4.350 0.016 0.000 0.284 265 T C -0.262 174.458 174.700 0.032 0.000 0.973 265 T CA -0.474 61.735 62.100 0.182 0.000 0.996 265 T CB 1.629 70.542 68.868 0.075 0.000 0.927 265 T HN 0.037 nan 8.240 nan 0.000 0.456 266 Q N 3.093 122.635 119.800 -0.430 0.000 2.323 266 Q HA 0.238 4.587 4.340 0.016 0.000 0.257 266 Q C 1.154 176.867 176.000 -0.478 0.000 1.022 266 Q CA -0.424 54.745 55.803 -1.057 0.000 0.919 266 Q CB 0.582 28.543 28.738 -1.294 0.000 1.220 266 Q HN 0.723 nan 8.270 nan 0.000 0.427 267 V N 1.306 121.028 119.914 -0.320 0.000 2.878 267 V HA 0.496 4.625 4.120 0.016 0.000 0.250 267 V C 0.359 176.358 176.094 -0.159 0.000 1.075 267 V CA 0.922 63.137 62.300 -0.141 0.000 1.096 267 V CB 0.003 31.838 31.823 0.019 0.000 0.724 267 V HN 0.628 nan 8.190 nan 0.000 0.467 268 A N -0.924 121.773 122.820 -0.206 0.000 2.608 268 A HA 0.805 5.134 4.320 0.016 0.000 0.292 268 A C -0.660 176.823 177.584 -0.169 0.000 1.066 268 A CA 0.216 52.162 52.037 -0.153 0.000 0.676 268 A CB 1.546 20.488 19.000 -0.096 0.000 1.277 268 A HN 0.713 nan 8.150 nan 0.000 0.413 269 S N -0.900 114.727 115.700 -0.122 0.000 2.537 269 S HA 0.790 5.269 4.470 0.016 0.000 0.271 269 S C -0.603 173.958 174.600 -0.065 0.000 1.148 269 S CA 0.208 58.349 58.200 -0.099 0.000 0.868 269 S CB 1.683 64.813 63.200 -0.116 0.000 1.115 269 S HN 2.286 nan 8.310 nan 0.000 0.461 270 G N 1.628 110.399 108.800 -0.048 0.000 2.682 270 G HA2 0.640 4.609 3.960 0.016 0.000 0.300 270 G HA3 0.640 4.609 3.960 0.016 0.000 0.300 270 G C -1.357 173.525 174.900 -0.030 0.000 1.391 270 G CA -0.389 44.686 45.100 -0.042 0.000 0.990 270 G HN 0.686 nan 8.290 nan 0.000 0.501 271 T N 0.001 114.540 114.554 -0.025 0.000 2.893 271 T HA 0.857 5.216 4.350 0.016 0.000 0.293 271 T C -0.247 174.423 174.700 -0.050 0.000 1.027 271 T CA 0.025 62.119 62.100 -0.010 0.000 0.988 271 T CB 1.804 70.700 68.868 0.046 0.000 1.043 271 T HN 1.498 nan 8.240 nan 0.000 0.461 272 A N 3.516 126.276 122.820 -0.100 0.000 2.601 272 A HA 0.926 5.255 4.320 0.016 0.000 0.291 272 A C -3.129 174.338 177.584 -0.196 0.000 1.075 272 A CA -1.507 50.458 52.037 -0.121 0.000 0.671 272 A CB 1.185 20.112 19.000 -0.122 0.000 1.277 272 A HN 0.532 nan 8.150 nan 0.000 0.417 273 P HA 0.588 nan 4.420 nan 0.000 0.280 273 P C -0.605 176.577 177.300 -0.196 0.000 1.272 273 P CA -0.400 62.612 63.100 -0.147 0.000 0.819 273 P CB 0.365 32.039 31.700 -0.044 0.000 1.122 274 F N -0.133 119.777 119.950 -0.067 0.000 2.490 274 F HA 0.446 4.983 4.527 0.016 0.000 0.336 274 F C 1.503 177.285 175.800 -0.030 0.000 1.178 274 F CA 1.648 59.618 58.000 -0.050 0.000 1.301 274 F CB 0.036 39.001 39.000 -0.059 0.000 1.175 274 F HN 0.576 nan 8.300 nan 0.000 0.593 275 G N 1.449 110.376 108.800 0.211 0.000 2.881 275 G HA2 0.331 4.300 3.960 0.016 0.000 0.597 275 G HA3 0.331 4.300 3.960 0.016 0.000 0.597 275 G C -0.399 174.552 174.900 0.086 0.000 1.188 275 G CA -0.760 44.415 45.100 0.126 0.000 1.218 275 G HN 1.047 nan 8.290 nan 0.000 0.544 276 G N 0.944 109.814 108.800 0.117 0.000 2.621 276 G HA2 0.635 4.605 3.960 0.016 0.000 0.271 276 G HA3 0.635 4.605 3.960 0.016 0.000 0.271 276 G C 0.485 175.423 174.900 0.064 0.000 1.236 276 G CA -0.213 44.943 45.100 0.093 0.000 0.958 276 G HN 0.863 nan 8.290 nan 0.000 0.512 277 E N -0.475 119.756 120.200 0.051 0.000 2.438 277 E HA -0.004 4.355 4.350 0.016 0.000 0.261 277 E C 0.266 176.885 176.600 0.031 0.000 1.103 277 E CA -0.134 56.285 56.400 0.032 0.000 0.959 277 E CB 0.777 30.494 29.700 0.028 0.000 0.958 277 E HN 0.310 nan 8.360 nan 0.000 0.447 278 I N 1.679 122.256 120.570 0.012 0.000 2.618 278 I HA -0.088 4.092 4.170 0.016 0.000 0.284 278 I C 1.520 177.640 176.117 0.004 0.000 1.146 278 I CA 0.299 61.599 61.300 -0.001 0.000 1.425 278 I CB 0.135 38.130 38.000 -0.008 0.000 1.383 278 I HN 0.532 nan 8.210 nan 0.000 0.562 279 I N 1.315 121.881 120.570 -0.008 0.000 4.139 279 I HA 0.308 4.487 4.170 0.016 0.000 0.320 279 I C -0.145 175.967 176.117 -0.009 0.000 1.290 279 I CA 0.018 61.322 61.300 0.006 0.000 1.253 279 I CB 0.350 38.373 38.000 0.039 0.000 1.122 279 I HN 0.612 nan 8.210 nan 0.000 0.421 280 D N -0.504 119.878 120.400 -0.029 0.000 2.838 280 D HA 0.164 4.814 4.640 0.016 0.000 0.334 280 D C 0.286 176.567 176.300 -0.032 0.000 1.315 280 D CA -0.527 53.458 54.000 -0.026 0.000 0.917 280 D CB 0.505 41.288 40.800 -0.028 0.000 1.435 280 D HN -0.143 nan 8.370 nan 0.000 0.517 281 E N -0.939 119.245 120.200 -0.027 0.000 2.209 281 E HA -0.076 4.284 4.350 0.016 0.000 0.196 281 E C 1.173 177.752 176.600 -0.035 0.000 0.993 281 E CA 1.074 57.458 56.400 -0.026 0.000 0.819 281 E CB -0.050 29.638 29.700 -0.020 0.000 0.745 281 E HN 0.221 nan 8.360 nan 0.000 0.477 282 R N -0.051 120.419 120.500 -0.050 0.000 2.388 282 R HA 0.300 4.649 4.340 0.016 0.000 0.247 282 R C 0.753 177.010 176.300 -0.072 0.000 0.931 282 R CA 0.634 56.699 56.100 -0.059 0.000 1.082 282 R CB 0.364 30.621 30.300 -0.071 0.000 1.135 282 R HN 0.210 nan 8.270 nan 0.000 0.525 283 G N -0.401 108.359 108.800 -0.066 0.000 2.464 283 G HA2 -0.157 3.813 3.960 0.016 0.000 0.216 283 G HA3 -0.157 3.813 3.960 0.016 0.000 0.216 283 G C -0.209 174.637 174.900 -0.091 0.000 1.186 283 G CA -0.621 44.439 45.100 -0.067 0.000 1.010 283 G HN 0.493 nan 8.290 nan 0.000 0.585 284 G N -2.019 106.722 108.800 -0.098 0.000 3.015 284 G HA2 0.642 4.612 3.960 0.016 0.000 0.281 284 G HA3 0.642 4.612 3.960 0.016 0.000 0.281 284 G C -1.478 173.327 174.900 -0.158 0.000 1.386 284 G CA -0.717 44.325 45.100 -0.096 0.000 0.959 284 G HN 0.774 nan 8.290 nan 0.000 0.522 285 Y N 1.116 121.426 120.300 0.017 0.000 2.539 285 Y HA 0.380 4.939 4.550 0.015 0.000 0.352 285 Y C 1.517 177.437 175.900 0.034 0.000 1.004 285 Y CA 0.220 58.333 58.100 0.022 0.000 1.278 285 Y CB 1.583 40.062 38.460 0.031 0.000 1.136 285 Y HN 0.556 nan 8.280 nan 0.000 0.528 286 A N 1.851 124.734 122.820 0.105 0.000 2.119 286 A HA -0.137 4.193 4.320 0.016 0.000 0.217 286 A C 1.321 178.968 177.584 0.105 0.000 1.153 286 A CA 1.295 53.382 52.037 0.083 0.000 0.692 286 A CB -0.270 18.738 19.000 0.013 0.000 0.799 286 A HN 0.787 nan 8.150 nan 0.000 0.458 287 D N -0.823 119.643 120.400 0.109 0.000 2.427 287 D HA 0.165 4.814 4.640 0.016 0.000 0.224 287 D C 0.468 176.866 176.300 0.164 0.000 1.157 287 D CA -0.066 53.918 54.000 -0.027 0.000 0.828 287 D CB -0.033 40.726 40.800 -0.069 0.000 0.974 287 D HN 0.401 nan 8.370 nan 0.000 0.498 288 R N -0.992 119.721 120.500 0.355 0.000 2.817 288 R HA 0.772 5.121 4.340 0.016 0.000 0.268 288 R C -1.611 174.843 176.300 0.257 0.000 1.027 288 R CA -1.188 55.102 56.100 0.318 0.000 0.928 288 R CB 2.900 33.255 30.300 0.092 0.000 1.228 288 R HN -0.023 nan 8.270 nan 0.000 0.469 289 V N 0.051 120.002 119.914 0.061 0.000 3.077 289 V HA 0.474 4.604 4.120 0.016 0.000 0.299 289 V C -1.620 174.429 176.094 -0.076 0.000 1.276 289 V CA -0.310 61.948 62.300 -0.071 0.000 0.993 289 V CB 2.781 34.429 31.823 -0.292 0.000 1.076 289 V HN 0.812 nan 8.190 nan 0.000 0.434 290 T N 7.095 121.612 114.554 -0.062 0.000 2.792 290 T HA 0.626 4.986 4.350 0.016 0.000 0.280 290 T C -0.939 173.725 174.700 -0.061 0.000 0.990 290 T CA -0.403 61.666 62.100 -0.052 0.000 0.960 290 T CB 1.048 69.900 68.868 -0.028 0.000 0.939 290 T HN 0.457 nan 8.240 nan 0.000 0.439 291 L N 3.437 124.624 121.223 -0.060 0.000 2.325 291 L HA 0.590 4.940 4.340 0.016 0.000 0.278 291 L C 0.402 177.245 176.870 -0.046 0.000 1.023 291 L CA -0.574 54.230 54.840 -0.060 0.000 0.811 291 L CB 1.588 43.608 42.059 -0.064 0.000 1.249 291 L HN 0.547 nan 8.230 nan 0.000 0.431 292 R N 3.051 123.524 120.500 -0.044 0.000 2.439 292 R HA 0.640 4.990 4.340 0.016 0.000 0.310 292 R C -1.369 174.905 176.300 -0.043 0.000 0.955 292 R CA -0.935 55.140 56.100 -0.042 0.000 0.853 292 R CB 1.960 32.236 30.300 -0.041 0.000 1.171 292 R HN 0.230 nan 8.270 nan 0.000 0.449 293 L N 2.770 123.968 121.223 -0.040 0.000 2.333 293 L HA 0.355 4.705 4.340 0.016 0.000 0.280 293 L C -0.245 176.600 176.870 -0.040 0.000 1.004 293 L CA -0.494 54.323 54.840 -0.040 0.000 0.820 293 L CB 1.693 43.733 42.059 -0.031 0.000 1.247 293 L HN 0.495 nan 8.230 nan 0.000 0.416 294 N N 1.442 120.112 118.700 -0.050 0.000 2.472 294 N HA 0.589 5.339 4.740 0.016 0.000 0.277 294 N C -1.167 174.299 175.510 -0.073 0.000 1.081 294 N CA -0.299 52.717 53.050 -0.058 0.000 0.973 294 N CB 1.466 39.920 38.487 -0.054 0.000 1.105 294 N HN 0.246 nan 8.380 nan 0.000 0.470 295 V N 2.329 122.185 119.914 -0.097 0.000 2.483 295 V HA 0.262 4.391 4.120 0.016 0.000 0.297 295 V C -0.455 175.555 176.094 -0.140 0.000 1.027 295 V CA -0.901 61.304 62.300 -0.159 0.000 0.855 295 V CB 1.503 33.138 31.823 -0.312 0.000 0.995 295 V HN 0.577 nan 8.190 nan 0.000 0.424 296 E N 2.988 123.128 120.200 -0.100 0.000 2.301 296 E HA 0.295 4.655 4.350 0.016 0.000 0.275 296 E C 0.158 176.728 176.600 -0.051 0.000 1.030 296 E CA -0.537 55.829 56.400 -0.057 0.000 0.852 296 E CB 0.480 30.159 29.700 -0.035 0.000 1.060 296 E HN 0.736 nan 8.360 nan 0.000 0.401 297 N N 0.551 119.243 118.700 -0.012 0.000 2.707 297 N HA -0.150 4.599 4.740 0.016 0.000 0.253 297 N C -2.451 173.054 175.510 -0.008 0.000 0.998 297 N CA 0.375 53.433 53.050 0.013 0.000 0.751 297 N CB -1.306 37.192 38.487 0.019 0.000 0.920 297 N HN 0.377 nan 8.380 nan 0.000 0.539 298 P HA 0.001 nan 4.420 nan 0.000 0.269 298 P C -0.288 177.036 177.300 0.041 0.000 1.215 298 P CA 0.261 63.252 63.100 -0.182 0.000 0.780 298 P CB 0.782 32.107 31.700 -0.624 0.000 0.898 299 K N 2.550 123.075 120.400 0.208 0.000 2.316 299 K HA 0.268 4.597 4.320 0.016 0.000 0.289 299 K C 0.235 177.013 176.600 0.297 0.000 1.070 299 K CA -0.368 56.042 56.287 0.204 0.000 0.928 299 K CB 0.239 32.831 32.500 0.154 0.000 1.039 299 K HN 0.460 nan 8.250 nan 0.000 0.480 300 L N 2.742 124.059 121.223 0.157 0.000 2.417 300 L HA 0.271 4.621 4.340 0.016 0.000 0.268 300 L C 0.146 177.097 176.870 0.135 0.000 1.158 300 L CA -0.735 54.184 54.840 0.133 0.000 0.819 300 L CB 0.291 42.271 42.059 -0.132 0.000 1.112 300 L HN 0.579 nan 8.230 nan 0.000 0.458 301 W N 3.315 124.633 121.300 0.030 0.000 2.438 301 W HA 0.531 5.199 4.660 0.014 0.000 0.324 301 W C -0.076 176.388 176.519 -0.091 0.000 1.119 301 W CA 0.020 57.373 57.345 0.014 0.000 1.221 301 W CB 1.493 31.012 29.460 0.099 0.000 1.253 301 W HN 0.651 nan 8.180 nan 0.000 0.555 302 S N 2.827 117.973 115.700 -0.923 0.000 2.611 302 S HA 0.600 5.080 4.470 0.016 0.000 0.268 302 S C 0.051 173.837 174.600 -1.357 0.000 1.156 302 S CA -0.332 57.364 58.200 -0.839 0.000 0.817 302 S CB 0.978 63.907 63.200 -0.451 0.000 1.122 302 S HN 1.100 nan 8.310 nan 0.000 0.466 303 A N 0.631 122.804 122.820 -1.078 0.000 2.015 303 A HA 0.045 4.375 4.320 0.016 0.000 0.219 303 A C 1.763 179.006 177.584 -0.568 0.000 1.163 303 A CA 1.532 52.970 52.037 -0.999 0.000 0.646 303 A CB -1.020 17.239 19.000 -1.235 0.000 0.806 303 A HN 0.879 nan 8.150 nan 0.000 0.448 304 E N -0.552 119.451 120.200 -0.329 0.000 2.072 304 E HA -0.028 4.331 4.350 0.016 0.000 0.191 304 E C -0.165 176.295 176.600 -0.233 0.000 0.985 304 E CA 0.844 57.125 56.400 -0.198 0.000 0.801 304 E CB -0.103 29.602 29.700 0.010 0.000 0.750 304 E HN 0.651 nan 8.360 nan 0.000 0.452 305 I N 1.591 121.997 120.570 -0.272 0.000 2.583 305 I HA 0.155 4.334 4.170 0.016 0.000 0.276 305 I C -2.489 173.407 176.117 -0.369 0.000 1.089 305 I CA -1.934 59.228 61.300 -0.231 0.000 1.103 305 I CB 2.045 39.966 38.000 -0.133 0.000 1.209 305 I HN -0.218 nan 8.210 nan 0.000 0.484 306 P HA 0.039 nan 4.420 nan 0.000 0.232 306 P C -0.559 176.719 177.300 -0.036 0.000 1.738 306 P CA -0.124 62.681 63.100 -0.491 0.000 0.948 306 P CB -0.361 31.189 31.700 -0.249 0.000 1.943 307 N N 1.619 120.327 118.700 0.013 0.000 2.447 307 N HA 0.080 4.830 4.740 0.016 0.000 0.263 307 N C 0.142 175.874 175.510 0.370 0.000 1.226 307 N CA 0.509 53.650 53.050 0.153 0.000 0.906 307 N CB 0.769 39.333 38.487 0.129 0.000 1.060 307 N HN 0.296 nan 8.380 nan 0.000 0.468 308 L N 2.397 123.752 121.223 0.220 0.000 2.370 308 L HA 0.493 4.842 4.340 0.016 0.000 0.266 308 L C -0.759 176.194 176.870 0.139 0.000 1.002 308 L CA -0.859 54.147 54.840 0.275 0.000 0.818 308 L CB 1.241 43.433 42.059 0.222 0.000 1.325 308 L HN 0.390 nan 8.230 nan 0.000 0.418 309 Y N 0.276 120.716 120.300 0.233 0.000 2.659 309 Y HA 0.673 5.233 4.550 0.016 0.000 0.333 309 Y C -0.255 175.755 175.900 0.184 0.000 1.064 309 Y CA -0.890 57.351 58.100 0.235 0.000 1.141 309 Y CB 1.697 40.357 38.460 0.333 0.000 1.316 309 Y HN 0.376 nan 8.280 nan 0.000 0.509 310 R N 0.975 121.704 120.500 0.382 0.000 2.480 310 R HA 0.803 5.152 4.340 0.016 0.000 0.306 310 R C -1.669 174.806 176.300 0.291 0.000 0.958 310 R CA -0.530 55.721 56.100 0.251 0.000 0.861 310 R CB 1.108 31.490 30.300 0.135 0.000 1.171 310 R HN 0.735 nan 8.270 nan 0.000 0.445 311 A N 3.829 126.762 122.820 0.188 0.000 2.288 311 A HA 0.639 4.969 4.320 0.016 0.000 0.320 311 A C -1.072 176.547 177.584 0.059 0.000 1.217 311 A CA -0.644 51.481 52.037 0.147 0.000 0.840 311 A CB 1.277 20.331 19.000 0.091 0.000 1.179 311 A HN 0.479 nan 8.150 nan 0.000 0.504 312 V N 3.346 123.297 119.914 0.062 0.000 2.448 312 V HA 0.390 4.520 4.120 0.016 0.000 0.295 312 V C -0.358 175.693 176.094 -0.071 0.000 1.025 312 V CA -0.555 61.720 62.300 -0.041 0.000 0.859 312 V CB 1.573 33.379 31.823 -0.029 0.000 0.988 312 V HN 0.617 nan 8.190 nan 0.000 0.431 313 V N 4.731 124.532 119.914 -0.189 0.000 2.328 313 V HA 0.430 4.559 4.120 0.016 0.000 0.278 313 V C -0.040 175.986 176.094 -0.112 0.000 1.021 313 V CA -0.551 61.622 62.300 -0.212 0.000 0.838 313 V CB 1.143 32.676 31.823 -0.483 0.000 0.999 313 V HN 0.942 nan 8.190 nan 0.000 0.447 314 E N 4.125 124.315 120.200 -0.016 0.000 2.158 314 E HA 0.511 4.870 4.350 0.016 0.000 0.271 314 E C -1.024 175.663 176.600 0.145 0.000 0.911 314 E CA -0.915 55.528 56.400 0.071 0.000 0.767 314 E CB 2.550 32.316 29.700 0.110 0.000 1.120 314 E HN 0.468 nan 8.360 nan 0.000 0.405 315 L N 4.616 125.902 121.223 0.106 0.000 2.265 315 L HA 0.381 4.731 4.340 0.016 0.000 0.289 315 L C -0.904 176.053 176.870 0.146 0.000 1.033 315 L CA 0.166 55.060 54.840 0.090 0.000 0.814 315 L CB -0.295 41.812 42.059 0.081 0.000 1.203 315 L HN 0.709 nan 8.230 nan 0.000 0.423 316 H N 0.564 119.676 119.070 0.070 0.000 3.015 316 H HA 0.833 5.398 4.556 0.016 0.000 0.282 316 H C -0.777 174.623 175.328 0.121 0.000 1.508 316 H CA -0.398 55.695 56.048 0.075 0.000 1.209 316 H CB 0.756 30.541 29.762 0.038 0.000 1.869 316 H HN 0.462 nan 8.280 nan 0.000 0.591 317 T N -2.389 112.290 114.554 0.210 0.000 2.943 317 T HA 0.595 4.955 4.350 0.016 0.000 0.284 317 T C 1.242 176.078 174.700 0.227 0.000 1.015 317 T CA -0.416 61.798 62.100 0.190 0.000 1.042 317 T CB 1.627 70.564 68.868 0.115 0.000 1.055 317 T HN 0.941 nan 8.240 nan 0.000 0.500 318 A N 0.640 123.554 122.820 0.157 0.000 1.972 318 A HA -0.004 4.326 4.320 0.016 0.000 0.219 318 A C 1.777 179.440 177.584 0.132 0.000 1.169 318 A CA 1.289 53.412 52.037 0.143 0.000 0.635 318 A CB -0.828 18.236 19.000 0.107 0.000 0.810 318 A HN 0.841 nan 8.150 nan 0.000 0.446 319 D N -1.530 118.926 120.400 0.093 0.000 2.336 319 D HA 0.286 4.936 4.640 0.016 0.000 0.229 319 D C 1.268 177.600 176.300 0.054 0.000 1.061 319 D CA 1.113 55.144 54.000 0.052 0.000 0.875 319 D CB 0.160 40.966 40.800 0.010 0.000 0.904 319 D HN 0.569 nan 8.370 nan 0.000 0.525 320 G N -0.261 108.605 108.800 0.109 0.000 2.179 320 G HA2 -0.222 3.748 3.960 0.016 0.000 0.220 320 G HA3 -0.222 3.748 3.960 0.016 0.000 0.220 320 G C 0.524 175.457 174.900 0.055 0.000 0.990 320 G CA -0.029 45.107 45.100 0.059 0.000 0.646 320 G HN 0.278 nan 8.290 nan 0.000 0.517 321 T N 1.505 116.113 114.554 0.090 0.000 2.780 321 T HA 0.528 4.887 4.350 0.016 0.000 0.294 321 T C 0.242 175.014 174.700 0.120 0.000 0.949 321 T CA -0.124 62.015 62.100 0.066 0.000 1.074 321 T CB 1.759 70.644 68.868 0.030 0.000 0.910 321 T HN 0.563 nan 8.240 nan 0.000 0.501 322 L N 4.364 125.638 121.223 0.084 0.000 2.349 322 L HA 0.383 4.732 4.340 0.016 0.000 0.275 322 L C 0.523 177.452 176.870 0.099 0.000 1.115 322 L CA 0.190 55.099 54.840 0.115 0.000 0.820 322 L CB 0.491 42.583 42.059 0.055 0.000 1.135 322 L HN 0.582 nan 8.230 nan 0.000 0.445 323 I N 2.319 122.955 120.570 0.110 0.000 2.685 323 I HA 0.197 4.377 4.170 0.016 0.000 0.251 323 I C 0.298 176.438 176.117 0.037 0.000 1.102 323 I CA 0.767 62.108 61.300 0.069 0.000 1.442 323 I CB -0.008 38.035 38.000 0.072 0.000 1.194 323 I HN 0.843 nan 8.210 nan 0.000 0.448 324 E N -0.645 119.579 120.200 0.039 0.000 2.422 324 E HA 0.729 5.089 4.350 0.016 0.000 0.280 324 E C -1.488 175.129 176.600 0.028 0.000 1.091 324 E CA -1.143 55.268 56.400 0.018 0.000 0.849 324 E CB 1.344 31.016 29.700 -0.047 0.000 1.353 324 E HN -0.040 nan 8.360 nan 0.000 0.449 325 A N 1.008 123.864 122.820 0.059 0.000 2.475 325 A HA 0.725 5.054 4.320 0.016 0.000 0.301 325 A C -1.118 176.546 177.584 0.134 0.000 1.059 325 A CA -0.742 51.328 52.037 0.055 0.000 0.710 325 A CB 1.804 20.836 19.000 0.054 0.000 1.288 325 A HN 0.499 nan 8.150 nan 0.000 0.408 326 E N -0.445 119.767 120.200 0.020 0.000 2.378 326 E HA 0.857 5.217 4.350 0.016 0.000 0.265 326 E C -0.541 176.069 176.600 0.017 0.000 0.932 326 E CA -0.462 56.011 56.400 0.123 0.000 0.795 326 E CB 2.370 32.065 29.700 -0.009 0.000 1.296 326 E HN 1.279 nan 8.360 nan 0.000 0.438 327 A N -0.123 122.835 122.820 0.230 0.000 2.601 327 A HA 0.698 5.027 4.320 0.016 0.000 0.291 327 A C -1.108 176.684 177.584 0.347 0.000 1.075 327 A CA -0.410 51.693 52.037 0.109 0.000 0.671 327 A CB 0.655 19.599 19.000 -0.092 0.000 1.277 327 A HN 0.845 nan 8.150 nan 0.000 0.417 328 C N -0.540 118.909 119.300 0.249 0.000 3.288 328 C HA 0.840 5.310 4.460 0.016 0.000 0.318 328 C C -1.359 173.725 174.990 0.157 0.000 1.356 328 C CA -0.904 58.262 59.018 0.247 0.000 1.359 328 C CB 1.166 29.073 27.740 0.279 0.000 1.688 328 C HN 0.809 nan 8.230 nan 0.000 0.467 329 D N 1.039 121.517 120.400 0.129 0.000 2.256 329 D HA 0.568 5.217 4.640 0.016 0.000 0.250 329 D C -0.389 175.961 176.300 0.083 0.000 1.093 329 D CA 0.135 54.210 54.000 0.124 0.000 0.882 329 D CB 1.850 42.727 40.800 0.127 0.000 1.185 329 D HN 0.547 nan 8.370 nan 0.000 0.437 330 V N 1.186 121.168 119.914 0.114 0.000 2.540 330 V HA 0.673 4.803 4.120 0.016 0.000 0.302 330 V C 0.565 176.706 176.094 0.078 0.000 1.035 330 V CA -0.844 61.462 62.300 0.009 0.000 0.873 330 V CB 2.056 33.852 31.823 -0.046 0.000 0.992 330 V HN 0.608 nan 8.190 nan 0.000 0.428 331 G N 3.089 111.846 108.800 -0.071 0.000 2.502 331 G HA2 0.601 4.570 3.960 0.016 0.000 0.311 331 G HA3 0.601 4.570 3.960 0.016 0.000 0.311 331 G C -0.980 173.990 174.900 0.117 0.000 1.270 331 G CA -0.387 44.755 45.100 0.070 0.000 0.948 331 G HN 0.439 nan 8.290 nan 0.000 0.487 332 F N 4.112 124.253 119.950 0.319 0.000 2.462 332 F HA 0.430 4.966 4.527 0.015 0.000 0.360 332 F C 1.136 177.166 175.800 0.383 0.000 1.134 332 F CA -0.033 58.202 58.000 0.393 0.000 1.148 332 F CB 0.688 39.939 39.000 0.419 0.000 1.147 332 F HN 0.440 nan 8.300 nan 0.000 0.550 333 R N 3.204 123.993 120.500 0.481 0.000 2.629 333 R HA 0.392 4.741 4.340 0.016 0.000 0.266 333 R C -1.860 174.613 176.300 0.287 0.000 1.051 333 R CA -0.805 55.432 56.100 0.230 0.000 0.895 333 R CB 1.575 32.033 30.300 0.263 0.000 1.246 333 R HN 0.604 nan 8.270 nan 0.000 0.459 334 E N 2.418 122.699 120.200 0.135 0.000 2.176 334 E HA 0.457 4.816 4.350 0.016 0.000 0.267 334 E C -1.259 175.431 176.600 0.149 0.000 0.893 334 E CA -0.874 55.683 56.400 0.262 0.000 0.761 334 E CB 2.085 32.019 29.700 0.390 0.000 1.133 334 E HN 0.405 nan 8.360 nan 0.000 0.409 335 V N 5.657 125.649 119.914 0.130 0.000 2.409 335 V HA 0.594 4.724 4.120 0.016 0.000 0.291 335 V C -0.190 175.953 176.094 0.081 0.000 1.020 335 V CA -0.607 61.738 62.300 0.075 0.000 0.848 335 V CB 1.121 32.964 31.823 0.034 0.000 0.990 335 V HN 0.766 nan 8.190 nan 0.000 0.430 336 R N 4.171 124.715 120.500 0.073 0.000 2.692 336 R HA 0.693 5.042 4.340 0.016 0.000 0.269 336 R C -2.076 174.258 176.300 0.056 0.000 1.030 336 R CA -0.946 55.197 56.100 0.072 0.000 0.882 336 R CB 1.753 32.109 30.300 0.093 0.000 1.250 336 R HN 0.493 nan 8.270 nan 0.000 0.465 337 I N 1.411 122.013 120.570 0.054 0.000 2.339 337 I HA 0.365 4.544 4.170 0.016 0.000 0.290 337 I C -0.583 175.561 176.117 0.045 0.000 0.994 337 I CA -0.390 60.936 61.300 0.043 0.000 1.191 337 I CB 1.749 39.775 38.000 0.044 0.000 1.343 337 I HN 0.735 nan 8.210 nan 0.000 0.458 338 E N 6.107 126.330 120.200 0.039 0.000 2.321 338 E HA 0.257 4.617 4.350 0.016 0.000 0.278 338 E C -0.288 176.331 176.600 0.030 0.000 0.902 338 E CA -0.573 55.851 56.400 0.040 0.000 0.758 338 E CB 1.179 30.909 29.700 0.049 0.000 1.213 338 E HN 0.522 nan 8.360 nan 0.000 0.426 339 N N 2.872 121.590 118.700 0.029 0.000 2.725 339 N HA -0.218 4.531 4.740 0.016 0.000 0.249 339 N C 0.511 176.032 175.510 0.018 0.000 1.103 339 N CA 2.256 55.319 53.050 0.023 0.000 0.707 339 N CB -1.206 37.294 38.487 0.020 0.000 1.043 339 N HN 1.095 nan 8.380 nan 0.000 0.553 340 G N -2.223 106.588 108.800 0.019 0.000 2.179 340 G HA2 -0.281 3.689 3.960 0.016 0.000 0.260 340 G HA3 -0.281 3.689 3.960 0.016 0.000 0.260 340 G C -0.122 174.780 174.900 0.002 0.000 0.977 340 G CA 0.502 45.609 45.100 0.013 0.000 0.641 340 G HN 0.464 nan 8.290 nan 0.000 0.533 341 L N 0.052 121.276 121.223 0.002 0.000 2.365 341 L HA 0.682 5.032 4.340 0.016 0.000 0.273 341 L C 0.096 176.962 176.870 -0.007 0.000 1.000 341 L CA -1.329 53.505 54.840 -0.011 0.000 0.819 341 L CB 1.897 43.949 42.059 -0.012 0.000 1.284 341 L HN 0.081 nan 8.230 nan 0.000 0.418 342 L N 4.849 126.056 121.223 -0.027 0.000 2.325 342 L HA 0.395 4.745 4.340 0.016 0.000 0.284 342 L C -0.788 176.064 176.870 -0.030 0.000 1.089 342 L CA 0.414 55.238 54.840 -0.027 0.000 0.836 342 L CB 0.097 42.126 42.059 -0.051 0.000 1.184 342 L HN 0.384 nan 8.230 nan 0.000 0.444 343 L N 5.963 127.186 121.223 0.001 0.000 2.329 343 L HA 0.517 4.866 4.340 0.016 0.000 0.279 343 L C -0.706 176.182 176.870 0.031 0.000 1.014 343 L CA -0.805 54.047 54.840 0.020 0.000 0.814 343 L CB 1.758 43.850 42.059 0.054 0.000 1.257 343 L HN 0.516 nan 8.230 nan 0.000 0.424 344 L N 4.425 125.680 121.223 0.053 0.000 2.319 344 L HA 0.483 4.833 4.340 0.016 0.000 0.281 344 L C -0.133 176.765 176.870 0.047 0.000 1.005 344 L CA 0.062 54.941 54.840 0.064 0.000 0.828 344 L CB 0.741 42.848 42.059 0.081 0.000 1.227 344 L HN 0.598 nan 8.230 nan 0.000 0.415 345 N N 4.209 122.818 118.700 -0.153 0.000 2.727 345 N HA -0.217 4.532 4.740 0.016 0.000 0.249 345 N C 0.937 176.143 175.510 -0.507 0.000 1.048 345 N CA 1.265 53.910 53.050 -0.674 0.000 0.714 345 N CB -1.362 36.581 38.487 -0.907 0.000 0.959 345 N HN 1.181 nan 8.380 nan 0.000 0.544 346 G N -1.883 106.905 108.800 -0.019 0.000 2.184 346 G HA2 -0.358 3.612 3.960 0.016 0.000 0.264 346 G HA3 -0.358 3.612 3.960 0.016 0.000 0.264 346 G C -0.043 174.900 174.900 0.073 0.000 0.975 346 G CA 0.956 46.133 45.100 0.129 0.000 0.642 346 G HN 0.469 nan 8.290 nan 0.000 0.536 347 K N 0.685 121.125 120.400 0.067 0.000 2.259 347 K HA 0.533 4.863 4.320 0.016 0.000 0.249 347 K C -2.904 173.688 176.600 -0.013 0.000 0.942 347 K CA -2.071 54.216 56.287 0.000 0.000 0.816 347 K CB 2.769 35.196 32.500 -0.121 0.000 1.155 347 K HN 0.039 nan 8.250 nan 0.000 0.428 348 P HA 0.251 nan 4.420 nan 0.000 0.287 348 P C -0.136 177.110 177.300 -0.090 0.000 1.281 348 P CA -0.322 62.742 63.100 -0.060 0.000 0.781 348 P CB 0.579 32.242 31.700 -0.062 0.000 0.903 349 L N 3.194 124.358 121.223 -0.098 0.000 2.472 349 L HA 0.304 4.653 4.340 0.016 0.000 0.260 349 L C 0.699 177.491 176.870 -0.130 0.000 1.209 349 L CA -0.595 54.174 54.840 -0.118 0.000 0.817 349 L CB 0.175 42.117 42.059 -0.196 0.000 1.106 349 L HN 0.256 nan 8.230 nan 0.000 0.479 350 L N 2.847 124.008 121.223 -0.103 0.000 2.401 350 L HA 0.398 4.748 4.340 0.016 0.000 0.263 350 L C -0.491 176.326 176.870 -0.089 0.000 1.004 350 L CA -0.245 54.516 54.840 -0.132 0.000 0.881 350 L CB 0.688 42.695 42.059 -0.086 0.000 1.219 350 L HN 0.236 nan 8.230 nan 0.000 0.441 351 I N 4.569 125.016 120.570 -0.205 0.000 2.578 351 I HA 0.096 4.276 4.170 0.016 0.000 0.286 351 I C 0.666 176.743 176.117 -0.067 0.000 1.126 351 I CA 0.462 61.650 61.300 -0.187 0.000 1.380 351 I CB 0.054 37.817 38.000 -0.396 0.000 1.408 351 I HN 0.561 nan 8.210 nan 0.000 0.532 352 R N 4.873 125.427 120.500 0.089 0.000 3.070 352 R HA 0.413 4.763 4.340 0.016 0.000 0.252 352 R C 0.561 176.990 176.300 0.215 0.000 1.370 352 R CA -0.274 55.926 56.100 0.167 0.000 1.482 352 R CB 0.737 30.978 30.300 -0.098 0.000 1.220 352 R HN 0.759 nan 8.270 nan 0.000 0.622 353 G N 0.137 109.029 108.800 0.153 0.000 2.491 353 G HA2 0.553 4.523 3.960 0.016 0.000 0.327 353 G HA3 0.553 4.523 3.960 0.016 0.000 0.327 353 G C -1.238 173.986 174.900 0.539 0.000 1.189 353 G CA -0.424 44.769 45.100 0.154 0.000 0.956 353 G HN 0.223 nan 8.290 nan 0.000 0.491 354 V N 0.215 120.395 119.914 0.444 0.000 2.971 354 V HA 0.468 4.597 4.120 0.016 0.000 0.309 354 V C -0.975 175.244 176.094 0.208 0.000 1.130 354 V CA -1.218 61.217 62.300 0.224 0.000 0.964 354 V CB 2.193 33.837 31.823 -0.299 0.000 1.029 354 V HN 0.769 nan 8.190 nan 0.000 0.427 355 N N 4.165 122.908 118.700 0.073 0.000 2.518 355 N HA 0.477 5.226 4.740 0.016 0.000 0.283 355 N C -0.752 174.567 175.510 -0.318 0.000 1.119 355 N CA -0.331 52.637 53.050 -0.135 0.000 0.983 355 N CB 1.523 39.881 38.487 -0.215 0.000 1.139 355 N HN 0.628 nan 8.380 nan 0.000 0.465 356 R N 1.802 122.072 120.500 -0.384 0.000 2.510 356 R HA 0.203 4.553 4.340 0.016 0.000 0.287 356 R C -1.131 174.917 176.300 -0.421 0.000 1.084 356 R CA -0.550 55.342 56.100 -0.346 0.000 0.934 356 R CB 0.852 30.944 30.300 -0.347 0.000 1.201 356 R HN 0.596 nan 8.270 nan 0.000 0.431 357 H N 2.075 120.990 119.070 -0.258 0.000 2.505 357 H HA 0.156 4.722 4.556 0.016 0.000 0.355 357 H C -0.470 174.853 175.328 -0.008 0.000 1.179 357 H CA 0.026 56.016 56.048 -0.096 0.000 1.343 357 H CB 1.470 31.228 29.762 -0.008 0.000 1.501 357 H HN 0.554 nan 8.280 nan 0.000 0.569 358 E N 1.932 122.316 120.200 0.305 0.000 1.996 358 E HA 0.113 4.472 4.350 0.016 0.000 0.280 358 E C -0.675 176.058 176.600 0.221 0.000 1.092 358 E CA -0.027 56.468 56.400 0.157 0.000 0.862 358 E CB 0.352 30.154 29.700 0.171 0.000 1.066 358 E HN 0.388 nan 8.360 nan 0.000 0.396 359 H N 1.763 120.883 119.070 0.083 0.000 2.865 359 H HA 0.272 4.837 4.556 0.016 0.000 0.362 359 H C -1.679 173.703 175.328 0.089 0.000 1.114 359 H CA -0.686 55.408 56.048 0.078 0.000 1.208 359 H CB 1.179 30.974 29.762 0.055 0.000 1.727 359 H HN 0.417 nan 8.280 nan 0.000 0.534 360 H N 5.988 124.598 119.070 -0.766 0.000 2.759 360 H HA 0.219 4.785 4.556 0.016 0.000 0.354 360 H C -2.399 172.517 175.328 -0.687 0.000 1.074 360 H CA -2.393 53.353 56.048 -0.503 0.000 1.226 360 H CB 2.682 32.317 29.762 -0.213 0.000 1.648 360 H HN 0.525 nan 8.280 nan 0.000 0.529 361 P HA -0.080 nan 4.420 nan 0.000 0.220 361 P C 1.242 178.422 177.300 -0.201 0.000 1.148 361 P CA 0.865 63.775 63.100 -0.317 0.000 0.803 361 P CB 0.805 32.354 31.700 -0.252 0.000 0.782 362 L N -1.801 119.383 121.223 -0.066 0.000 2.269 362 L HA 0.089 4.438 4.340 0.016 0.000 0.200 362 L C 2.326 179.038 176.870 -0.263 0.000 1.069 362 L CA 0.777 55.521 54.840 -0.159 0.000 0.804 362 L CB -0.949 40.925 42.059 -0.307 0.000 0.987 362 L HN -0.010 nan 8.230 nan 0.000 0.468 363 H N -0.245 118.875 119.070 0.083 0.000 2.539 363 H HA 0.241 4.806 4.556 0.016 0.000 0.267 363 H C 1.495 176.731 175.328 -0.154 0.000 0.982 363 H CA 0.274 56.212 56.048 -0.183 0.000 1.146 363 H CB 0.191 29.726 29.762 -0.378 0.000 1.382 363 H HN 0.408 nan 8.280 nan 0.000 0.577 364 G N 1.403 110.129 108.800 -0.122 0.000 2.557 364 G HA2 -0.401 3.569 3.960 0.016 0.000 0.292 364 G HA3 -0.401 3.569 3.960 0.016 0.000 0.292 364 G C 0.695 175.519 174.900 -0.127 0.000 1.162 364 G CA 0.430 45.411 45.100 -0.198 0.000 0.964 364 G HN 0.474 nan 8.290 nan 0.000 0.541 365 Q N 0.006 119.751 119.800 -0.092 0.000 2.246 365 Q HA 0.471 4.821 4.340 0.016 0.000 0.202 365 Q C 0.388 176.472 176.000 0.139 0.000 0.883 365 Q CA -0.093 55.696 55.803 -0.023 0.000 0.952 365 Q CB 1.182 29.815 28.738 -0.174 0.000 1.078 365 Q HN 0.375 nan 8.270 nan 0.000 0.493 366 V N 2.133 122.112 119.914 0.108 0.000 2.488 366 V HA 0.145 4.275 4.120 0.016 0.000 0.277 366 V C 0.132 176.268 176.094 0.071 0.000 1.046 366 V CA 0.170 62.541 62.300 0.117 0.000 0.986 366 V CB 0.809 32.641 31.823 0.015 0.000 0.989 366 V HN 0.332 nan 8.190 nan 0.000 0.475 367 M N 5.496 125.144 119.600 0.079 0.000 2.404 367 M HA 0.500 4.990 4.480 0.016 0.000 0.338 367 M C -0.356 175.896 176.300 -0.079 0.000 1.150 367 M CA -0.498 54.805 55.300 0.005 0.000 1.016 367 M CB 1.809 34.383 32.600 -0.044 0.000 1.672 367 M HN 0.866 nan 8.290 nan 0.000 0.448 368 D N 0.530 120.890 120.400 -0.067 0.000 2.490 368 D HA 0.219 4.869 4.640 0.016 0.000 0.232 368 D C 0.134 176.410 176.300 -0.040 0.000 1.053 368 D CA -0.411 53.547 54.000 -0.069 0.000 0.914 368 D CB 1.998 42.781 40.800 -0.029 0.000 1.431 368 D HN 0.748 nan 8.370 nan 0.000 0.483 369 E N 0.501 120.688 120.200 -0.023 0.000 2.058 369 E HA -0.340 4.019 4.350 0.016 0.000 0.194 369 E C 1.932 178.575 176.600 0.072 0.000 0.997 369 E CA 1.868 58.287 56.400 0.032 0.000 0.801 369 E CB 0.029 29.761 29.700 0.053 0.000 0.746 369 E HN 0.599 nan 8.360 nan 0.000 0.450 370 Q N 0.027 119.870 119.800 0.071 0.000 2.084 370 Q HA -0.149 4.201 4.340 0.016 0.000 0.202 370 Q C 1.999 178.060 176.000 0.101 0.000 0.978 370 Q CA 2.439 58.294 55.803 0.088 0.000 0.844 370 Q CB -0.337 28.453 28.738 0.088 0.000 0.898 370 Q HN 0.157 nan 8.270 nan 0.000 0.426 371 T N 0.898 115.517 114.554 0.109 0.000 2.708 371 T HA -0.131 4.228 4.350 0.016 0.000 0.266 371 T C 1.776 176.555 174.700 0.132 0.000 1.037 371 T CA 1.748 63.927 62.100 0.133 0.000 1.146 371 T CB -0.200 68.764 68.868 0.162 0.000 0.865 371 T HN 0.326 nan 8.240 nan 0.000 0.435 372 M N 0.445 120.125 119.600 0.134 0.000 2.080 372 M HA -0.113 4.377 4.480 0.016 0.000 0.260 372 M C 2.485 178.916 176.300 0.217 0.000 1.068 372 M CA 1.364 56.821 55.300 0.262 0.000 1.109 372 M CB -0.691 32.099 32.600 0.316 0.000 1.342 372 M HN 0.102 nan 8.290 nan 0.000 0.405 373 V N 0.387 120.368 119.914 0.112 0.000 2.287 373 V HA -0.323 3.807 4.120 0.016 0.000 0.248 373 V C 2.383 178.468 176.094 -0.015 0.000 1.053 373 V CA 2.256 64.563 62.300 0.011 0.000 1.027 373 V CB -0.856 31.008 31.823 0.067 0.000 0.646 373 V HN 0.581 nan 8.190 nan 0.000 0.447 374 Q N -0.600 119.239 119.800 0.066 0.000 2.124 374 Q HA -0.251 4.098 4.340 0.016 0.000 0.202 374 Q C 1.915 177.986 176.000 0.118 0.000 0.977 374 Q CA 1.918 57.774 55.803 0.088 0.000 0.850 374 Q CB -0.125 28.683 28.738 0.117 0.000 0.901 374 Q HN 0.628 nan 8.270 nan 0.000 0.429 375 D N 0.429 120.914 120.400 0.142 0.000 2.117 375 D HA -0.123 4.526 4.640 0.016 0.000 0.198 375 D C 1.914 178.168 176.300 -0.077 0.000 0.982 375 D CA 1.038 55.124 54.000 0.143 0.000 0.828 375 D CB -0.118 40.741 40.800 0.098 0.000 0.967 375 D HN 0.365 nan 8.370 nan 0.000 0.464 376 I N 0.655 121.166 120.570 -0.099 0.000 2.252 376 I HA -0.218 3.961 4.170 0.016 0.000 0.245 376 I C 2.393 178.365 176.117 -0.242 0.000 1.102 376 I CA 0.619 61.753 61.300 -0.276 0.000 1.385 376 I CB -0.103 37.603 38.000 -0.490 0.000 1.064 376 I HN -0.025 nan 8.210 nan 0.000 0.414 377 L N 0.043 121.166 121.223 -0.168 0.000 2.056 377 L HA -0.206 4.144 4.340 0.016 0.000 0.207 377 L C 2.519 179.452 176.870 0.105 0.000 1.078 377 L CA 1.313 56.146 54.840 -0.011 0.000 0.749 377 L CB -0.577 41.503 42.059 0.034 0.000 0.901 377 L HN 0.274 nan 8.230 nan 0.000 0.433 378 L N -0.962 120.346 121.223 0.141 0.000 2.093 378 L HA -0.208 4.141 4.340 0.016 0.000 0.208 378 L C 2.663 179.702 176.870 0.282 0.000 1.085 378 L CA 1.211 56.223 54.840 0.286 0.000 0.755 378 L CB -0.316 42.037 42.059 0.489 0.000 0.904 378 L HN 0.275 nan 8.230 nan 0.000 0.435 379 M N -0.622 118.958 119.600 -0.034 0.000 2.086 379 M HA -0.226 4.264 4.480 0.016 0.000 0.261 379 M C 2.271 178.632 176.300 0.103 0.000 1.067 379 M CA 1.851 57.036 55.300 -0.192 0.000 1.116 379 M CB -0.279 31.966 32.600 -0.592 0.000 1.348 379 M HN 0.070 nan 8.290 nan 0.000 0.407 380 K N -0.153 120.219 120.400 -0.047 0.000 2.103 380 K HA -0.139 4.191 4.320 0.016 0.000 0.204 380 K C 1.959 178.541 176.600 -0.029 0.000 1.052 380 K CA 1.100 57.267 56.287 -0.201 0.000 0.945 380 K CB -0.144 32.012 32.500 -0.573 0.000 0.722 380 K HN 0.432 nan 8.250 nan 0.000 0.443 381 Q N 0.392 120.332 119.800 0.233 0.000 2.291 381 Q HA -0.035 4.314 4.340 0.016 0.000 0.205 381 Q C 0.825 177.118 176.000 0.488 0.000 0.970 381 Q CA 0.709 56.767 55.803 0.425 0.000 0.876 381 Q CB 0.166 29.141 28.738 0.396 0.000 0.935 381 Q HN 0.241 nan 8.270 nan 0.000 0.455 382 N N 0.661 119.603 118.700 0.403 0.000 2.279 382 N HA 0.039 4.788 4.740 0.016 0.000 0.226 382 N C -0.600 175.041 175.510 0.219 0.000 1.126 382 N CA 0.061 53.354 53.050 0.405 0.000 0.846 382 N CB 0.620 39.436 38.487 0.548 0.000 1.050 382 N HN 0.161 nan 8.380 nan 0.000 0.502 383 N N 0.023 118.844 118.700 0.201 0.000 2.782 383 N HA -0.194 4.555 4.740 0.016 0.000 0.251 383 N C -0.803 174.664 175.510 -0.072 0.000 1.101 383 N CA 0.788 53.909 53.050 0.118 0.000 0.764 383 N CB -1.730 36.748 38.487 -0.015 0.000 1.122 383 N HN 0.234 nan 8.380 nan 0.000 0.561 384 F N 1.112 121.078 119.950 0.027 0.000 2.375 384 F HA 0.313 4.849 4.527 0.015 0.000 0.333 384 F C 1.802 177.591 175.800 -0.018 0.000 1.104 384 F CA -0.532 57.468 58.000 0.001 0.000 1.149 384 F CB 0.765 39.740 39.000 -0.042 0.000 1.190 384 F HN 0.051 nan 8.300 nan 0.000 0.533 385 N N 0.501 119.315 118.700 0.189 0.000 2.160 385 N HA 0.441 5.191 4.740 0.016 0.000 0.226 385 N C -0.868 174.679 175.510 0.062 0.000 1.256 385 N CA 0.034 53.120 53.050 0.059 0.000 0.890 385 N CB 0.708 39.276 38.487 0.134 0.000 1.116 385 N HN 0.485 nan 8.380 nan 0.000 0.517 386 A N -0.548 122.385 122.820 0.189 0.000 2.612 386 A HA 0.755 5.085 4.320 0.016 0.000 0.293 386 A C -1.791 176.005 177.584 0.353 0.000 1.075 386 A CA -0.660 51.554 52.037 0.295 0.000 0.680 386 A CB 1.765 20.957 19.000 0.321 0.000 1.279 386 A HN 0.262 nan 8.150 nan 0.000 0.411 387 V N 0.922 121.106 119.914 0.450 0.000 2.888 387 V HA 0.799 4.929 4.120 0.016 0.000 0.309 387 V C -0.819 175.432 176.094 0.261 0.000 1.114 387 V CA -0.701 61.817 62.300 0.363 0.000 0.940 387 V CB 1.958 33.912 31.823 0.219 0.000 1.021 387 V HN 1.102 nan 8.190 nan 0.000 0.426 388 R N 4.732 125.244 120.500 0.020 0.000 2.387 388 R HA 0.486 4.836 4.340 0.016 0.000 0.314 388 R C -0.775 175.388 176.300 -0.227 0.000 0.958 388 R CA -0.505 55.419 56.100 -0.294 0.000 0.846 388 R CB 1.121 31.021 30.300 -0.666 0.000 1.147 388 R HN 0.835 nan 8.270 nan 0.000 0.447 389 C N 4.294 123.488 119.300 -0.177 0.000 3.031 389 C HA 0.103 4.573 4.460 0.016 0.000 0.489 389 C C 0.428 175.140 174.990 -0.462 0.000 1.020 389 C CA -0.436 58.429 59.018 -0.255 0.000 1.104 389 C CB -2.115 25.597 27.740 -0.047 0.000 1.470 389 C HN 0.676 nan 8.230 nan 0.000 0.583 390 S N 1.723 117.001 115.700 -0.703 0.000 2.465 390 S HA 0.196 4.676 4.470 0.016 0.000 0.280 390 S C -0.110 173.572 174.600 -1.530 0.000 1.232 390 S CA -0.002 57.477 58.200 -1.202 0.000 1.066 390 S CB 0.181 62.542 63.200 -1.400 0.000 0.929 390 S HN 0.734 nan 8.310 nan 0.000 0.494 391 H N 3.347 121.784 119.070 -1.055 0.000 2.511 391 H HA 0.316 4.881 4.556 0.015 0.000 0.228 391 H C -1.167 174.041 175.328 -0.200 0.000 1.424 391 H CA -0.353 55.481 56.048 -0.356 0.000 1.321 391 H CB -0.087 29.668 29.762 -0.012 0.000 1.720 391 H HN 0.886 nan 8.280 nan 0.000 0.512 392 Y N -2.782 117.624 120.300 0.178 0.000 2.774 392 Y HA 0.403 4.963 4.550 0.016 0.000 0.346 392 Y C -3.308 172.701 175.900 0.181 0.000 1.222 392 Y CA -3.078 55.133 58.100 0.185 0.000 1.088 392 Y CB 0.014 38.588 38.460 0.189 0.000 1.354 392 Y HN -0.095 nan 8.280 nan 0.000 0.455 393 P HA 0.180 nan 4.420 nan 0.000 0.271 393 P C -0.655 176.938 177.300 0.488 0.000 1.216 393 P CA 0.165 63.522 63.100 0.428 0.000 0.771 393 P CB 0.565 32.446 31.700 0.301 0.000 0.864 394 N N 0.749 119.756 118.700 0.511 0.000 2.447 394 N HA 0.079 4.828 4.740 0.016 0.000 0.271 394 N C 0.161 175.927 175.510 0.427 0.000 1.226 394 N CA -0.583 52.676 53.050 0.349 0.000 0.980 394 N CB 0.351 38.833 38.487 -0.009 0.000 1.206 394 N HN 0.594 nan 8.380 nan 0.000 0.558 395 H N 2.242 121.425 119.070 0.189 0.000 3.094 395 H HA -0.016 4.549 4.556 0.016 0.000 0.320 395 H C -1.622 173.885 175.328 0.299 0.000 1.000 395 H CA -0.736 55.410 56.048 0.164 0.000 1.413 395 H CB 0.904 30.721 29.762 0.093 0.000 1.405 395 H HN 0.430 nan 8.280 nan 0.000 0.586 396 P HA -0.238 nan 4.420 nan 0.000 0.217 396 P C 1.859 179.488 177.300 0.547 0.000 1.151 396 P CA 0.846 64.191 63.100 0.409 0.000 0.849 396 P CB 0.182 31.963 31.700 0.134 0.000 0.787 397 L N -1.129 120.499 121.223 0.674 0.000 2.191 397 L HA -0.070 4.279 4.340 0.016 0.000 0.212 397 L C 2.394 179.449 176.870 0.308 0.000 1.103 397 L CA 1.430 56.523 54.840 0.422 0.000 0.769 397 L CB -1.449 40.782 42.059 0.286 0.000 0.908 397 L HN 0.049 nan 8.230 nan 0.000 0.438 398 W N -0.513 120.823 121.300 0.060 0.000 2.318 398 W HA -0.350 4.320 4.660 0.015 0.000 0.313 398 W C 2.156 178.514 176.519 -0.268 0.000 1.221 398 W CA 1.964 59.199 57.345 -0.183 0.000 1.266 398 W CB -0.401 28.840 29.460 -0.365 0.000 1.150 398 W HN 0.266 nan 8.180 nan 0.000 0.496 399 Y N 0.828 121.049 120.300 -0.132 0.000 2.165 399 Y HA -0.271 4.288 4.550 0.015 0.000 0.286 399 Y C 2.869 178.533 175.900 -0.393 0.000 1.155 399 Y CA 2.333 60.130 58.100 -0.504 0.000 1.164 399 Y CB -1.284 36.528 38.460 -1.080 0.000 0.978 399 Y HN -0.203 nan 8.280 nan 0.000 0.513 400 T N 0.706 115.263 114.554 0.004 0.000 2.684 400 T HA -0.188 4.172 4.350 0.016 0.000 0.267 400 T C 2.011 176.743 174.700 0.053 0.000 1.036 400 T CA 1.538 63.721 62.100 0.138 0.000 1.148 400 T CB -0.585 68.421 68.868 0.229 0.000 0.863 400 T HN 0.232 nan 8.240 nan 0.000 0.436 401 L N 0.272 121.481 121.223 -0.023 0.000 2.046 401 L HA -0.110 4.240 4.340 0.016 0.000 0.208 401 L C 2.944 179.779 176.870 -0.059 0.000 1.077 401 L CA 0.950 55.798 54.840 0.013 0.000 0.747 401 L CB -0.718 41.295 42.059 -0.076 0.000 0.896 401 L HN 0.386 nan 8.230 nan 0.000 0.432 402 C N -0.077 119.006 119.300 -0.363 0.000 2.429 402 C HA -0.172 4.297 4.460 0.016 0.000 0.277 402 C C 2.445 177.459 174.990 0.039 0.000 1.262 402 C CA 0.666 59.498 59.018 -0.310 0.000 1.733 402 C CB -0.792 26.651 27.740 -0.495 0.000 2.010 402 C HN 0.547 nan 8.230 nan 0.000 0.483 403 D N 0.227 120.664 120.400 0.062 0.000 2.123 403 D HA -0.103 4.547 4.640 0.016 0.000 0.196 403 D C 2.415 178.920 176.300 0.340 0.000 0.992 403 D CA 1.228 55.352 54.000 0.206 0.000 0.833 403 D CB -0.336 40.545 40.800 0.136 0.000 0.954 403 D HN 0.532 nan 8.370 nan 0.000 0.455 404 R N -1.031 119.566 120.500 0.163 0.000 2.080 404 R HA 0.010 4.359 4.340 0.016 0.000 0.222 404 R C 2.195 178.477 176.300 -0.030 0.000 1.107 404 R CA 0.569 56.702 56.100 0.055 0.000 0.980 404 R CB -0.218 30.042 30.300 -0.066 0.000 0.879 404 R HN 0.289 nan 8.270 nan 0.000 0.439 405 Y N 0.055 120.363 120.300 0.014 0.000 2.420 405 Y HA 0.132 4.691 4.550 0.015 0.000 0.292 405 Y C 1.034 176.862 175.900 -0.120 0.000 1.119 405 Y CA 0.836 58.916 58.100 -0.034 0.000 1.229 405 Y CB 0.575 38.985 38.460 -0.082 0.000 1.026 405 Y HN 0.258 nan 8.280 nan 0.000 0.554 406 G N 1.123 109.953 108.800 0.051 0.000 2.858 406 G HA2 -0.144 3.825 3.960 0.016 0.000 0.272 406 G HA3 -0.144 3.825 3.960 0.016 0.000 0.272 406 G C -1.183 173.544 174.900 -0.287 0.000 1.003 406 G CA -0.573 44.414 45.100 -0.189 0.000 1.241 406 G HN 0.166 nan 8.290 nan 0.000 0.569 407 L N 1.149 122.279 121.223 -0.154 0.000 2.493 407 L HA 0.445 4.794 4.340 0.016 0.000 0.265 407 L C 0.037 176.910 176.870 0.005 0.000 0.954 407 L CA -1.236 53.482 54.840 -0.204 0.000 0.844 407 L CB 1.915 43.885 42.059 -0.148 0.000 1.302 407 L HN 0.458 nan 8.230 nan 0.000 0.405 408 Y N 2.195 122.636 120.300 0.234 0.000 2.425 408 Y HA 0.294 4.856 4.550 0.018 0.000 0.331 408 Y C 0.318 176.354 175.900 0.226 0.000 1.157 408 Y CA -0.651 57.623 58.100 0.291 0.000 1.372 408 Y CB 1.045 39.648 38.460 0.239 0.000 1.253 408 Y HN 0.177 nan 8.280 nan 0.000 0.536 409 V N 4.423 124.533 119.914 0.326 0.000 2.513 409 V HA 0.301 4.431 4.120 0.016 0.000 0.299 409 V C -0.451 175.738 176.094 0.158 0.000 1.035 409 V CA -1.002 61.431 62.300 0.222 0.000 0.889 409 V CB 1.850 33.762 31.823 0.148 0.000 0.988 409 V HN 0.456 nan 8.190 nan 0.000 0.440 410 V N 3.282 123.263 119.914 0.113 0.000 2.318 410 V HA 0.311 4.440 4.120 0.016 0.000 0.271 410 V C -0.297 175.839 176.094 0.070 0.000 1.030 410 V CA -0.382 61.929 62.300 0.018 0.000 0.844 410 V CB 1.355 33.076 31.823 -0.169 0.000 1.015 410 V HN 0.876 nan 8.190 nan 0.000 0.460 411 D N 4.168 124.645 120.400 0.129 0.000 2.249 411 D HA 0.321 4.970 4.640 0.016 0.000 0.246 411 D C -0.221 176.273 176.300 0.322 0.000 1.114 411 D CA -0.062 54.108 54.000 0.284 0.000 0.854 411 D CB 1.346 42.353 40.800 0.345 0.000 1.132 411 D HN 0.682 nan 8.370 nan 0.000 0.461 412 E N 1.832 122.186 120.200 0.257 0.000 2.210 412 E HA 0.630 4.990 4.350 0.016 0.000 0.266 412 E C -1.010 175.730 176.600 0.234 0.000 0.883 412 E CA -1.029 55.509 56.400 0.229 0.000 0.761 412 E CB 1.381 31.165 29.700 0.139 0.000 1.156 412 E HN 0.447 nan 8.360 nan 0.000 0.412 413 A N 3.724 126.673 122.820 0.215 0.000 2.425 413 A HA 0.093 4.422 4.320 0.016 0.000 0.242 413 A C 0.230 177.939 177.584 0.208 0.000 1.077 413 A CA -0.208 51.934 52.037 0.175 0.000 0.781 413 A CB 0.143 19.211 19.000 0.113 0.000 1.020 413 A HN 0.705 nan 8.150 nan 0.000 0.494 414 N N 0.981 119.810 118.700 0.214 0.000 2.968 414 N HA 0.340 5.089 4.740 0.016 0.000 0.271 414 N C -1.126 174.513 175.510 0.215 0.000 1.174 414 N CA 0.167 53.378 53.050 0.268 0.000 1.096 414 N CB -0.747 37.913 38.487 0.288 0.000 1.403 414 N HN 0.465 nan 8.380 nan 0.000 0.522 415 I N 1.067 121.759 120.570 0.203 0.000 2.534 415 I HA 0.275 4.454 4.170 0.016 0.000 0.286 415 I C -0.775 175.443 176.117 0.169 0.000 1.094 415 I CA -0.611 60.791 61.300 0.170 0.000 1.055 415 I CB 1.887 39.963 38.000 0.126 0.000 1.225 415 I HN 0.306 nan 8.210 nan 0.000 0.435 416 E N 4.286 124.579 120.200 0.156 0.000 2.291 416 E HA 0.424 4.784 4.350 0.016 0.000 0.276 416 E C -0.753 175.902 176.600 0.091 0.000 0.896 416 E CA -0.518 55.943 56.400 0.102 0.000 0.774 416 E CB 1.746 31.477 29.700 0.050 0.000 1.227 416 E HN 0.579 nan 8.360 nan 0.000 0.413 417 T N 0.698 115.292 114.554 0.068 0.000 3.533 417 T HA 0.200 4.559 4.350 0.016 0.000 0.275 417 T C 0.818 175.520 174.700 0.003 0.000 1.000 417 T CA -0.383 61.775 62.100 0.097 0.000 1.015 417 T CB 0.419 69.336 68.868 0.081 0.000 1.153 417 T HN 0.571 nan 8.240 nan 0.000 0.504 418 E N 1.560 121.686 120.200 -0.123 0.000 2.097 418 E HA -0.118 4.242 4.350 0.016 0.000 0.196 418 E C 2.198 178.670 176.600 -0.213 0.000 1.000 418 E CA 1.576 57.869 56.400 -0.179 0.000 0.804 418 E CB -0.693 28.863 29.700 -0.241 0.000 0.740 418 E HN 0.712 nan 8.360 nan 0.000 0.454 419 G N 0.436 108.996 108.800 -0.400 0.000 2.535 419 G HA2 -0.139 3.831 3.960 0.016 0.000 0.218 419 G HA3 -0.139 3.831 3.960 0.016 0.000 0.218 419 G C 0.735 175.688 174.900 0.089 0.000 1.122 419 G CA 0.135 45.029 45.100 -0.344 0.000 0.769 419 G HN 0.100 nan 8.290 nan 0.000 0.549 420 M N 0.094 119.792 119.600 0.164 0.000 2.202 420 M HA 0.367 4.856 4.480 0.016 0.000 0.316 420 M C -0.391 175.918 176.300 0.016 0.000 1.138 420 M CA -0.408 54.963 55.300 0.118 0.000 1.151 420 M CB 1.398 34.026 32.600 0.046 0.000 1.422 420 M HN -0.207 nan 8.290 nan 0.000 0.471 421 V N 3.455 123.367 119.914 -0.003 0.000 2.447 421 V HA 0.355 4.484 4.120 0.016 0.000 0.292 421 V C -2.030 174.046 176.094 -0.029 0.000 1.021 421 V CA -1.285 61.001 62.300 -0.024 0.000 0.850 421 V CB 1.754 33.562 31.823 -0.025 0.000 1.005 421 V HN 0.715 nan 8.190 nan 0.000 0.426 422 P HA 0.258 nan 4.420 nan 0.000 0.286 422 P C 1.050 178.336 177.300 -0.023 0.000 1.293 422 P CA -0.525 62.559 63.100 -0.027 0.000 0.770 422 P CB 0.953 32.642 31.700 -0.019 0.000 1.206 423 M N 0.446 120.035 119.600 -0.020 0.000 2.279 423 M HA -0.162 4.327 4.480 0.016 0.000 0.264 423 M C 1.074 177.388 176.300 0.023 0.000 1.062 423 M CA 1.807 57.103 55.300 -0.007 0.000 1.099 423 M CB -0.481 32.108 32.600 -0.018 0.000 1.394 423 M HN 0.335 nan 8.290 nan 0.000 0.426 424 N N -0.153 118.566 118.700 0.032 0.000 2.314 424 N HA -0.072 4.678 4.740 0.016 0.000 0.200 424 N C 1.149 176.639 175.510 -0.033 0.000 1.135 424 N CA 0.134 53.209 53.050 0.041 0.000 0.835 424 N CB -0.786 37.749 38.487 0.079 0.000 0.989 424 N HN 0.362 nan 8.380 nan 0.000 0.478 425 R N 0.566 121.029 120.500 -0.061 0.000 2.140 425 R HA -0.097 4.252 4.340 0.016 0.000 0.250 425 R C 1.421 177.616 176.300 -0.175 0.000 1.150 425 R CA 1.618 57.657 56.100 -0.103 0.000 0.966 425 R CB -0.125 30.112 30.300 -0.105 0.000 0.869 425 R HN 0.306 nan 8.270 nan 0.000 0.445 426 L N -0.744 120.313 121.223 -0.277 0.000 2.127 426 L HA -0.033 4.317 4.340 0.016 0.000 0.203 426 L C 2.604 179.340 176.870 -0.222 0.000 1.080 426 L CA 1.425 55.984 54.840 -0.468 0.000 0.768 426 L CB -0.623 40.939 42.059 -0.828 0.000 0.924 426 L HN 0.404 nan 8.230 nan 0.000 0.444 427 T N -4.227 110.224 114.554 -0.171 0.000 2.995 427 T HA -0.168 4.192 4.350 0.016 0.000 0.269 427 T C 1.365 175.974 174.700 -0.152 0.000 1.091 427 T CA 1.225 63.204 62.100 -0.201 0.000 1.128 427 T CB -0.215 68.489 68.868 -0.274 0.000 0.891 427 T HN 0.106 nan 8.240 nan 0.000 0.492 428 D N 1.295 121.644 120.400 -0.084 0.000 2.339 428 D HA 0.082 4.732 4.640 0.016 0.000 0.217 428 D C -0.084 176.195 176.300 -0.035 0.000 1.050 428 D CA -0.090 53.873 54.000 -0.062 0.000 0.856 428 D CB -0.166 40.605 40.800 -0.047 0.000 0.922 428 D HN 0.374 nan 8.370 nan 0.000 0.518 429 D N -0.305 120.090 120.400 -0.008 0.000 2.274 429 D HA 0.121 4.771 4.640 0.016 0.000 0.239 429 D C -1.708 174.642 176.300 0.082 0.000 1.104 429 D CA -2.238 51.793 54.000 0.052 0.000 0.840 429 D CB 1.957 42.825 40.800 0.113 0.000 1.100 429 D HN -0.063 nan 8.370 nan 0.000 0.477 430 P HA -0.110 nan 4.420 nan 0.000 0.221 430 P C 0.905 178.202 177.300 -0.004 0.000 1.145 430 P CA 0.846 63.951 63.100 0.009 0.000 0.795 430 P CB 0.236 31.930 31.700 -0.009 0.000 0.775 431 R N -2.048 118.457 120.500 0.008 0.000 2.235 431 R HA -0.046 4.303 4.340 0.016 0.000 0.213 431 R C 1.456 177.600 176.300 -0.260 0.000 1.059 431 R CA 0.966 56.999 56.100 -0.111 0.000 0.997 431 R CB -0.501 29.731 30.300 -0.114 0.000 0.884 431 R HN 0.327 nan 8.270 nan 0.000 0.462 432 W N -0.216 121.024 121.300 -0.101 0.000 3.220 432 W HA 0.143 4.812 4.660 0.015 0.000 0.328 432 W C 1.484 177.940 176.519 -0.105 0.000 1.205 432 W CA -0.517 56.767 57.345 -0.102 0.000 1.773 432 W CB 0.119 29.514 29.460 -0.108 0.000 1.086 432 W HN -0.010 nan 8.180 nan 0.000 0.622 433 L N 2.066 123.310 121.223 0.035 0.000 2.083 433 L HA -0.035 4.314 4.340 0.016 0.000 0.209 433 L C -0.802 176.026 176.870 -0.070 0.000 1.083 433 L CA 2.223 57.047 54.840 -0.027 0.000 0.752 433 L CB -1.590 40.444 42.059 -0.042 0.000 0.899 433 L HN -0.237 nan 8.230 nan 0.000 0.433 434 P HA -0.091 nan 4.420 nan 0.000 0.216 434 P C 1.577 178.815 177.300 -0.103 0.000 1.153 434 P CA 1.988 65.019 63.100 -0.115 0.000 0.848 434 P CB -0.146 31.477 31.700 -0.129 0.000 0.787 435 A N -1.280 121.489 122.820 -0.085 0.000 1.930 435 A HA -0.150 4.179 4.320 0.016 0.000 0.217 435 A C 2.187 179.778 177.584 0.010 0.000 1.175 435 A CA 1.545 53.565 52.037 -0.029 0.000 0.627 435 A CB -1.348 17.657 19.000 0.007 0.000 0.815 435 A HN 0.097 nan 8.150 nan 0.000 0.443 436 M N 0.074 119.687 119.600 0.022 0.000 2.132 436 M HA -0.142 4.348 4.480 0.016 0.000 0.263 436 M C 2.575 178.819 176.300 -0.093 0.000 1.065 436 M CA 1.659 56.954 55.300 -0.009 0.000 1.122 436 M CB -0.339 32.240 32.600 -0.036 0.000 1.365 436 M HN 0.660 nan 8.290 nan 0.000 0.411 437 S N 0.584 116.198 115.700 -0.143 0.000 2.392 437 S HA -0.215 4.264 4.470 0.016 0.000 0.232 437 S C 1.590 176.010 174.600 -0.299 0.000 1.041 437 S CA 1.648 59.693 58.200 -0.259 0.000 1.026 437 S CB -0.612 62.423 63.200 -0.275 0.000 0.845 437 S HN 0.526 nan 8.310 nan 0.000 0.465 438 E N 0.981 121.063 120.200 -0.198 0.000 2.152 438 E HA -0.049 4.311 4.350 0.016 0.000 0.192 438 E C 2.417 178.927 176.600 -0.150 0.000 0.983 438 E CA 0.732 57.024 56.400 -0.181 0.000 0.818 438 E CB -0.187 29.445 29.700 -0.114 0.000 0.758 438 E HN 0.607 nan 8.360 nan 0.000 0.467 439 R N 0.429 120.871 120.500 -0.097 0.000 2.115 439 R HA -0.077 4.273 4.340 0.016 0.000 0.230 439 R C 2.351 178.608 176.300 -0.073 0.000 1.111 439 R CA 0.776 56.850 56.100 -0.043 0.000 0.976 439 R CB -0.033 30.282 30.300 0.024 0.000 0.870 439 R HN 0.003 nan 8.270 nan 0.000 0.445 440 V N 0.072 119.897 119.914 -0.148 0.000 2.300 440 V HA -0.185 3.944 4.120 0.016 0.000 0.241 440 V C 2.475 178.377 176.094 -0.319 0.000 1.034 440 V CA 2.156 64.341 62.300 -0.193 0.000 1.021 440 V CB -0.529 31.166 31.823 -0.213 0.000 0.662 440 V HN 0.507 nan 8.190 nan 0.000 0.458 441 T N -0.643 113.590 114.554 -0.536 0.000 2.788 441 T HA -0.230 4.129 4.350 0.016 0.000 0.268 441 T C 1.929 176.466 174.700 -0.271 0.000 1.044 441 T CA 1.406 63.106 62.100 -0.666 0.000 1.139 441 T CB -0.421 67.888 68.868 -0.930 0.000 0.867 441 T HN 0.396 nan 8.240 nan 0.000 0.454 442 R N 0.324 120.689 120.500 -0.226 0.000 2.115 442 R HA 0.150 4.500 4.340 0.016 0.000 0.230 442 R C 2.662 178.880 176.300 -0.137 0.000 1.111 442 R CA 1.442 57.449 56.100 -0.156 0.000 0.976 442 R CB -0.494 29.724 30.300 -0.137 0.000 0.870 442 R HN 0.488 nan 8.270 nan 0.000 0.445 443 M N 0.722 120.247 119.600 -0.126 0.000 2.099 443 M HA -0.150 4.339 4.480 0.016 0.000 0.262 443 M C 1.899 178.105 176.300 -0.156 0.000 1.067 443 M CA 1.727 56.980 55.300 -0.079 0.000 1.124 443 M CB 0.036 32.637 32.600 0.001 0.000 1.353 443 M HN -0.017 nan 8.290 nan 0.000 0.410 444 V N 1.137 120.847 119.914 -0.341 0.000 2.343 444 V HA -0.297 3.833 4.120 0.016 0.000 0.247 444 V C 2.292 178.268 176.094 -0.195 0.000 1.051 444 V CA 2.100 64.073 62.300 -0.545 0.000 1.036 444 V CB -1.033 30.435 31.823 -0.591 0.000 0.654 444 V HN 0.597 nan 8.190 nan 0.000 0.451 445 Q N -0.564 119.162 119.800 -0.122 0.000 2.135 445 Q HA -0.239 4.111 4.340 0.016 0.000 0.204 445 Q C 2.483 178.390 176.000 -0.155 0.000 0.981 445 Q CA 1.752 57.490 55.803 -0.108 0.000 0.856 445 Q CB -0.220 28.475 28.738 -0.072 0.000 0.902 445 Q HN 0.545 nan 8.270 nan 0.000 0.425 446 R N 0.318 120.719 120.500 -0.164 0.000 2.080 446 R HA -0.096 4.254 4.340 0.016 0.000 0.222 446 R C 0.653 176.869 176.300 -0.140 0.000 1.107 446 R CA 1.368 57.343 56.100 -0.209 0.000 0.980 446 R CB 0.352 30.535 30.300 -0.194 0.000 0.879 446 R HN 0.172 nan 8.270 nan 0.000 0.439 447 D N 0.046 120.432 120.400 -0.023 0.000 2.360 447 D HA -0.025 4.624 4.640 0.016 0.000 0.210 447 D C 1.458 177.865 176.300 0.178 0.000 1.047 447 D CA 0.213 54.257 54.000 0.073 0.000 0.854 447 D CB 0.115 40.917 40.800 0.003 0.000 0.936 447 D HN 0.376 nan 8.370 nan 0.000 0.514 448 R N 0.768 121.389 120.500 0.201 0.000 2.249 448 R HA -0.036 4.313 4.340 0.016 0.000 0.230 448 R C 0.733 177.031 176.300 -0.003 0.000 1.121 448 R CA 0.924 57.148 56.100 0.207 0.000 0.997 448 R CB -0.350 30.004 30.300 0.089 0.000 0.867 448 R HN -0.029 nan 8.270 nan 0.000 0.465 449 N N 0.177 118.798 118.700 -0.132 0.000 2.280 449 N HA 0.006 4.755 4.740 0.016 0.000 0.192 449 N C -0.463 174.917 175.510 -0.217 0.000 1.109 449 N CA 0.186 53.130 53.050 -0.176 0.000 0.855 449 N CB 0.095 38.453 38.487 -0.216 0.000 0.974 449 N HN 0.274 nan 8.380 nan 0.000 0.482 450 H N 1.559 120.562 119.070 -0.111 0.000 2.819 450 H HA 0.079 4.644 4.556 0.015 0.000 0.303 450 H C -1.170 174.007 175.328 -0.252 0.000 1.058 450 H CA -0.993 54.973 56.048 -0.137 0.000 1.471 450 H CB 1.447 31.160 29.762 -0.082 0.000 1.480 450 H HN 0.088 nan 8.280 nan 0.000 0.517 451 P HA -0.111 nan 4.420 nan 0.000 0.222 451 P C 1.324 178.146 177.300 -0.797 0.000 1.153 451 P CA 0.854 63.611 63.100 -0.571 0.000 0.798 451 P CB 0.296 31.481 31.700 -0.859 0.000 0.796 452 S N -0.665 114.649 115.700 -0.644 0.000 2.442 452 S HA -0.031 4.448 4.470 0.016 0.000 0.236 452 S C 1.100 175.649 174.600 -0.085 0.000 1.007 452 S CA 0.251 58.218 58.200 -0.388 0.000 0.965 452 S CB -1.510 61.672 63.200 -0.029 0.000 0.773 452 S HN -0.071 nan 8.310 nan 0.000 0.504 453 V N 3.700 123.535 119.914 -0.131 0.000 2.421 453 V HA 0.203 4.333 4.120 0.016 0.000 0.271 453 V C 1.086 177.034 176.094 -0.243 0.000 1.031 453 V CA 0.046 62.238 62.300 -0.180 0.000 1.032 453 V CB 0.107 31.719 31.823 -0.352 0.000 1.009 453 V HN 0.634 nan 8.190 nan 0.000 0.477 454 I N 2.463 122.953 120.570 -0.134 0.000 4.288 454 I HA 0.515 4.695 4.170 0.016 0.000 0.331 454 I C 0.350 176.363 176.117 -0.173 0.000 1.322 454 I CA 0.432 61.663 61.300 -0.115 0.000 1.149 454 I CB 0.482 38.498 38.000 0.026 0.000 1.112 454 I HN 0.315 nan 8.210 nan 0.000 0.403 455 I N 0.213 120.658 120.570 -0.208 0.000 2.656 455 I HA 0.364 4.543 4.170 0.016 0.000 0.292 455 I C -1.583 174.452 176.117 -0.136 0.000 1.144 455 I CA -0.381 60.843 61.300 -0.128 0.000 1.038 455 I CB 2.159 40.173 38.000 0.024 0.000 1.244 455 I HN 0.022 nan 8.210 nan 0.000 0.420 456 W N 3.851 125.202 121.300 0.084 0.000 2.496 456 W HA 0.618 5.287 4.660 0.014 0.000 0.327 456 W C 0.334 176.918 176.519 0.108 0.000 1.086 456 W CA -0.667 56.732 57.345 0.091 0.000 1.222 456 W CB 1.787 31.296 29.460 0.080 0.000 1.304 456 W HN 0.288 nan 8.180 nan 0.000 0.547 457 S N 2.812 118.749 115.700 0.395 0.000 2.502 457 S HA 0.375 4.854 4.470 0.016 0.000 0.304 457 S C 0.397 175.161 174.600 0.273 0.000 1.097 457 S CA -0.697 57.678 58.200 0.293 0.000 1.045 457 S CB 0.742 64.070 63.200 0.212 0.000 1.019 457 S HN 0.575 nan 8.310 nan 0.000 0.481 458 L N 4.181 125.553 121.223 0.247 0.000 2.622 458 L HA 0.307 4.657 4.340 0.016 0.000 0.233 458 L C 1.385 178.309 176.870 0.089 0.000 1.156 458 L CA 0.511 55.414 54.840 0.106 0.000 0.866 458 L CB -1.180 40.845 42.059 -0.057 0.000 0.980 458 L HN 0.951 nan 8.230 nan 0.000 0.448 459 G N -0.158 108.784 108.800 0.237 0.000 2.293 459 G HA2 -0.101 3.869 3.960 0.016 0.000 0.282 459 G HA3 -0.101 3.869 3.960 0.016 0.000 0.282 459 G C -1.754 173.347 174.900 0.334 0.000 1.299 459 G CA -0.644 44.605 45.100 0.248 0.000 1.018 459 G HN 0.133 nan 8.290 nan 0.000 0.478 460 N N 0.131 118.965 118.700 0.224 0.000 2.264 460 N HA 0.484 5.233 4.740 0.016 0.000 0.288 460 N C -0.346 175.161 175.510 -0.006 0.000 1.094 460 N CA -0.017 53.029 53.050 -0.007 0.000 0.817 460 N CB 1.677 39.839 38.487 -0.542 0.000 1.604 460 N HN 0.834 nan 8.380 nan 0.000 0.473 461 E N 0.717 120.862 120.200 -0.091 0.000 2.131 461 E HA -0.185 4.174 4.350 0.016 0.000 0.166 461 E C -0.737 175.884 176.600 0.036 0.000 1.514 461 E CA 0.695 57.046 56.400 -0.082 0.000 0.646 461 E CB -1.201 28.390 29.700 -0.181 0.000 1.051 461 E HN 0.419 nan 8.360 nan 0.000 0.315 462 S N 0.099 115.924 115.700 0.207 0.000 2.855 462 S HA 0.381 4.861 4.470 0.016 0.000 0.249 462 S C 0.707 175.505 174.600 0.329 0.000 1.033 462 S CA -0.116 58.247 58.200 0.271 0.000 1.038 462 S CB 1.366 64.770 63.200 0.340 0.000 0.960 462 S HN 0.848 nan 8.310 nan 0.000 0.548 463 G N 1.959 110.882 108.800 0.205 0.000 2.575 463 G HA2 -0.266 3.704 3.960 0.016 0.000 0.267 463 G HA3 -0.266 3.704 3.960 0.016 0.000 0.267 463 G C -0.473 174.646 174.900 0.364 0.000 1.264 463 G CA -0.050 45.166 45.100 0.194 0.000 0.935 463 G HN 0.640 nan 8.290 nan 0.000 0.568 464 H N 0.234 119.442 119.070 0.231 0.000 3.013 464 H HA 0.554 5.119 4.556 0.016 0.000 0.326 464 H C 0.265 175.775 175.328 0.303 0.000 0.973 464 H CA -0.150 56.080 56.048 0.303 0.000 1.369 464 H CB 0.611 30.469 29.762 0.161 0.000 1.598 464 H HN 1.073 nan 8.280 nan 0.000 0.518 465 G N 1.434 110.410 108.800 0.293 0.000 2.537 465 G HA2 0.458 4.427 3.960 0.016 0.000 0.308 465 G HA3 0.458 4.427 3.960 0.016 0.000 0.308 465 G C 0.619 175.448 174.900 -0.117 0.000 1.237 465 G CA -0.162 44.910 45.100 -0.047 0.000 0.968 465 G HN 0.667 nan 8.290 nan 0.000 0.481 466 A N 0.476 123.223 122.820 -0.121 0.000 2.024 466 A HA -0.096 4.234 4.320 0.016 0.000 0.220 466 A C 2.113 179.685 177.584 -0.019 0.000 1.164 466 A CA 1.806 53.806 52.037 -0.062 0.000 0.643 466 A CB -0.410 18.565 19.000 -0.041 0.000 0.806 466 A HN 0.539 nan 8.150 nan 0.000 0.451 467 N N -0.226 118.423 118.700 -0.086 0.000 2.205 467 N HA -0.151 4.599 4.740 0.016 0.000 0.186 467 N C 1.340 176.799 175.510 -0.086 0.000 1.015 467 N CA 1.678 54.661 53.050 -0.113 0.000 0.862 467 N CB -0.649 37.725 38.487 -0.188 0.000 0.986 467 N HN 0.796 nan 8.380 nan 0.000 0.429 468 H N 0.074 119.152 119.070 0.013 0.000 2.389 468 H HA 0.004 4.569 4.556 0.016 0.000 0.299 468 H C 1.182 176.593 175.328 0.138 0.000 1.081 468 H CA 1.069 57.135 56.048 0.029 0.000 1.345 468 H CB 0.237 30.053 29.762 0.090 0.000 1.393 468 H HN 0.184 nan 8.280 nan 0.000 0.520 469 D N 0.391 120.960 120.400 0.281 0.000 2.117 469 D HA -0.103 4.546 4.640 0.016 0.000 0.198 469 D C 2.300 178.757 176.300 0.261 0.000 0.982 469 D CA 1.094 55.252 54.000 0.264 0.000 0.828 469 D CB -0.336 40.581 40.800 0.194 0.000 0.967 469 D HN 0.406 nan 8.370 nan 0.000 0.464 470 A N 0.966 123.887 122.820 0.169 0.000 1.877 470 A HA -0.127 4.203 4.320 0.016 0.000 0.216 470 A C 2.413 180.106 177.584 0.181 0.000 1.186 470 A CA 0.992 53.117 52.037 0.147 0.000 0.620 470 A CB -0.805 18.236 19.000 0.068 0.000 0.822 470 A HN 0.189 nan 8.150 nan 0.000 0.443 471 L N -2.177 119.135 121.223 0.149 0.000 2.109 471 L HA -0.145 4.204 4.340 0.016 0.000 0.207 471 L C 2.563 179.571 176.870 0.230 0.000 1.086 471 L CA 1.481 56.405 54.840 0.140 0.000 0.760 471 L CB -0.678 41.398 42.059 0.028 0.000 0.910 471 L HN 0.595 nan 8.230 nan 0.000 0.437 472 Y N 1.265 121.650 120.300 0.141 0.000 2.081 472 Y HA -0.349 4.208 4.550 0.013 0.000 0.280 472 Y C 2.840 178.828 175.900 0.146 0.000 1.163 472 Y CA 1.849 60.036 58.100 0.146 0.000 1.135 472 Y CB -0.193 38.354 38.460 0.145 0.000 0.970 472 Y HN -0.033 nan 8.280 nan 0.000 0.498 473 R N -0.056 120.549 120.500 0.175 0.000 2.081 473 R HA -0.224 4.125 4.340 0.016 0.000 0.235 473 R C 2.085 178.398 176.300 0.022 0.000 1.131 473 R CA 2.046 58.188 56.100 0.071 0.000 0.960 473 R CB -1.636 28.780 30.300 0.193 0.000 0.856 473 R HN 0.663 nan 8.270 nan 0.000 0.436 474 W N 0.502 121.761 121.300 -0.068 0.000 2.318 474 W HA -0.179 4.491 4.660 0.016 0.000 0.313 474 W C 1.776 178.205 176.519 -0.151 0.000 1.221 474 W CA 2.110 59.400 57.345 -0.091 0.000 1.266 474 W CB -0.333 29.077 29.460 -0.083 0.000 1.150 474 W HN 0.092 nan 8.180 nan 0.000 0.496 475 I N 0.825 121.432 120.570 0.060 0.000 2.179 475 I HA -0.361 3.818 4.170 0.016 0.000 0.242 475 I C 2.449 178.366 176.117 -0.333 0.000 1.088 475 I CA 1.433 62.595 61.300 -0.229 0.000 1.357 475 I CB -0.697 37.235 38.000 -0.114 0.000 1.051 475 I HN -0.072 nan 8.210 nan 0.000 0.409 476 K N 0.547 120.762 120.400 -0.307 0.000 2.103 476 K HA -0.110 4.219 4.320 0.016 0.000 0.207 476 K C 2.240 178.698 176.600 -0.237 0.000 1.048 476 K CA 1.304 57.429 56.287 -0.270 0.000 0.930 476 K CB -0.438 31.871 32.500 -0.317 0.000 0.716 476 K HN 0.260 nan 8.250 nan 0.000 0.444 477 S N 0.838 116.366 115.700 -0.287 0.000 2.357 477 S HA -0.064 4.416 4.470 0.016 0.000 0.221 477 S C 2.188 176.574 174.600 -0.356 0.000 1.031 477 S CA 0.879 58.916 58.200 -0.273 0.000 0.982 477 S CB -0.125 62.905 63.200 -0.284 0.000 0.853 477 S HN 0.007 nan 8.310 nan 0.000 0.458 478 V N 1.276 120.826 119.914 -0.607 0.000 2.548 478 V HA -0.034 4.096 4.120 0.016 0.000 0.249 478 V C 0.529 176.379 176.094 -0.408 0.000 1.055 478 V CA 1.379 63.292 62.300 -0.645 0.000 1.065 478 V CB -0.269 30.798 31.823 -1.261 0.000 0.681 478 V HN 0.433 nan 8.190 nan 0.000 0.462 479 D N -1.140 119.075 120.400 -0.307 0.000 2.472 479 D HA 0.206 4.856 4.640 0.016 0.000 0.248 479 D C -2.033 174.255 176.300 -0.021 0.000 1.271 479 D CA -1.454 52.476 54.000 -0.116 0.000 0.888 479 D CB 1.459 42.264 40.800 0.008 0.000 1.337 479 D HN 0.089 nan 8.370 nan 0.000 0.526 480 P HA -0.061 nan 4.420 nan 0.000 0.237 480 P C 1.170 178.489 177.300 0.030 0.000 1.178 480 P CA 0.462 63.554 63.100 -0.013 0.000 0.766 480 P CB 0.128 31.814 31.700 -0.024 0.000 0.876 481 S N -1.168 114.558 115.700 0.043 0.000 2.515 481 S HA 0.004 4.484 4.470 0.016 0.000 0.231 481 S C 0.955 175.582 174.600 0.046 0.000 0.987 481 S CA 0.025 58.256 58.200 0.051 0.000 0.936 481 S CB -0.443 62.782 63.200 0.041 0.000 0.766 481 S HN 0.100 nan 8.310 nan 0.000 0.528 482 R N 1.068 121.606 120.500 0.063 0.000 2.686 482 R HA 0.546 4.895 4.340 0.016 0.000 0.283 482 R C -3.179 173.172 176.300 0.085 0.000 0.978 482 R CA -2.318 53.789 56.100 0.012 0.000 0.897 482 R CB 1.532 31.729 30.300 -0.171 0.000 1.192 482 R HN 0.143 nan 8.270 nan 0.000 0.457 483 P HA 0.076 nan 4.420 nan 0.000 0.272 483 P C -0.840 176.568 177.300 0.181 0.000 1.230 483 P CA -0.337 62.830 63.100 0.113 0.000 0.788 483 P CB 0.663 32.415 31.700 0.088 0.000 0.949 484 V N 2.332 122.383 119.914 0.228 0.000 2.495 484 V HA 0.384 4.514 4.120 0.016 0.000 0.298 484 V C 0.239 176.518 176.094 0.309 0.000 1.031 484 V CA -0.346 62.135 62.300 0.303 0.000 0.871 484 V CB 1.204 33.193 31.823 0.277 0.000 0.988 484 V HN 0.600 nan 8.190 nan 0.000 0.432 485 Q N 3.687 123.645 119.800 0.264 0.000 2.445 485 Q HA 0.812 5.161 4.340 0.016 0.000 0.281 485 Q C -1.810 174.348 176.000 0.263 0.000 1.101 485 Q CA -0.940 54.985 55.803 0.203 0.000 0.833 485 Q CB 2.982 31.786 28.738 0.109 0.000 1.416 485 Q HN 0.617 nan 8.270 nan 0.000 0.451 486 Y N 0.007 120.311 120.300 0.008 0.000 2.357 486 Y HA 0.133 4.691 4.550 0.014 0.000 0.319 486 Y C -0.560 175.277 175.900 -0.106 0.000 1.225 486 Y CA -0.845 57.227 58.100 -0.047 0.000 1.095 486 Y CB 1.958 40.369 38.460 -0.082 0.000 1.302 486 Y HN 0.951 nan 8.280 nan 0.000 0.429 487 E N 3.421 123.145 120.200 -0.794 0.000 2.318 487 E HA 0.132 4.491 4.350 0.016 0.000 0.193 487 E C 0.648 176.798 176.600 -0.749 0.000 0.998 487 E CA 0.767 56.804 56.400 -0.604 0.000 0.859 487 E CB 0.220 29.702 29.700 -0.363 0.000 0.812 487 E HN 0.888 nan 8.360 nan 0.000 0.492 488 G N 0.000 107.943 108.800 -1.429 0.000 2.474 488 G HA2 0.219 4.189 3.960 0.016 0.000 0.233 488 G HA3 0.219 4.189 3.960 0.016 0.000 0.233 488 G C 0.806 175.522 174.900 -0.306 0.000 1.278 488 G CA 0.322 44.979 45.100 -0.738 0.000 0.861 488 G HN 0.371 nan 8.290 nan 0.000 0.567 489 G N -0.340 108.411 108.800 -0.081 0.000 2.176 489 G HA2 0.225 4.194 3.960 0.016 0.000 0.252 489 G HA3 0.225 4.194 3.960 0.016 0.000 0.252 489 G C 1.289 176.195 174.900 0.009 0.000 1.024 489 G CA 1.001 46.118 45.100 0.029 0.000 0.755 489 G HN 2.629 nan 8.290 nan 0.000 0.507 490 G N -1.545 107.254 108.800 -0.000 0.000 2.192 490 G HA2 0.403 4.373 3.960 0.016 0.000 0.193 490 G HA3 0.403 4.373 3.960 0.016 0.000 0.193 490 G C 1.139 176.161 174.900 0.204 0.000 0.999 490 G CA 1.268 46.435 45.100 0.112 0.000 0.659 490 G HN 2.356 nan 8.290 nan 0.000 0.503 491 A N -0.243 122.575 122.820 -0.003 0.000 3.132 491 A HA -0.085 4.244 4.320 0.016 0.000 0.266 491 A C 1.058 178.588 177.584 -0.091 0.000 1.216 491 A CA 2.613 54.586 52.037 -0.108 0.000 0.985 491 A CB -1.772 17.133 19.000 -0.158 0.000 1.102 491 A HN 2.140 nan 8.150 nan 0.000 0.833 492 D N -1.276 119.152 120.400 0.046 0.000 2.712 492 D HA 0.296 4.945 4.640 0.016 0.000 0.300 492 D C 0.357 176.668 176.300 0.018 0.000 1.521 492 D CA 0.742 54.779 54.000 0.062 0.000 0.790 492 D CB -1.157 39.826 40.800 0.305 0.000 1.155 492 D HN 0.811 nan 8.370 nan 0.000 0.456 493 T N -2.360 112.136 114.554 -0.096 0.000 2.698 493 T HA 0.227 4.587 4.350 0.016 0.000 0.295 493 T C 1.584 176.178 174.700 -0.176 0.000 1.007 493 T CA 0.394 62.386 62.100 -0.179 0.000 0.980 493 T CB 0.916 69.438 68.868 -0.578 0.000 1.036 493 T HN 0.081 nan 8.240 nan 0.000 0.526 494 T N -2.491 111.981 114.554 -0.137 0.000 3.163 494 T HA 0.207 4.566 4.350 0.016 0.000 0.260 494 T C 1.396 175.871 174.700 -0.375 0.000 1.156 494 T CA 0.244 62.254 62.100 -0.152 0.000 1.072 494 T CB -0.548 68.305 68.868 -0.024 0.000 0.937 494 T HN 0.843 nan 8.240 nan 0.000 0.528 495 A N 0.434 123.037 122.820 -0.362 0.000 2.507 495 A HA 0.532 4.862 4.320 0.016 0.000 0.270 495 A C 0.749 178.173 177.584 -0.267 0.000 1.318 495 A CA -0.359 51.425 52.037 -0.422 0.000 0.924 495 A CB 0.078 19.066 19.000 -0.020 0.000 1.061 495 A HN 0.435 nan 8.150 nan 0.000 0.516 496 T N -1.557 112.850 114.554 -0.244 0.000 2.952 496 T HA 0.360 4.719 4.350 0.016 0.000 0.305 496 T C -0.661 174.062 174.700 0.039 0.000 1.064 496 T CA -0.423 61.680 62.100 0.005 0.000 1.008 496 T CB 1.287 70.148 68.868 -0.012 0.000 1.078 496 T HN 0.072 nan 8.240 nan 0.000 0.459 497 D N 2.759 123.264 120.400 0.174 0.000 2.348 497 D HA 0.264 4.914 4.640 0.016 0.000 0.211 497 D C 0.345 176.682 176.300 0.062 0.000 0.998 497 D CA 0.717 54.805 54.000 0.146 0.000 0.873 497 D CB 0.377 41.291 40.800 0.189 0.000 0.925 497 D HN 0.544 nan 8.370 nan 0.000 0.524 498 I N 0.884 121.471 120.570 0.029 0.000 2.545 498 I HA 0.256 4.436 4.170 0.016 0.000 0.292 498 I C -0.211 175.847 176.117 -0.099 0.000 1.040 498 I CA -0.887 60.396 61.300 -0.029 0.000 1.068 498 I CB 2.842 40.837 38.000 -0.009 0.000 1.251 498 I HN -0.355 nan 8.210 nan 0.000 0.424 499 I N 5.668 126.136 120.570 -0.170 0.000 2.436 499 I HA 0.068 4.247 4.170 0.016 0.000 0.289 499 I C 0.099 176.013 176.117 -0.339 0.000 1.083 499 I CA 0.004 61.111 61.300 -0.321 0.000 1.372 499 I CB 0.213 37.923 38.000 -0.483 0.000 1.408 499 I HN 0.677 nan 8.210 nan 0.000 0.516 500 C N 5.595 124.706 119.300 -0.315 0.000 3.414 500 C HA 0.476 4.946 4.460 0.016 0.000 0.208 500 C C -2.266 172.583 174.990 -0.235 0.000 1.422 500 C CA -2.365 56.515 59.018 -0.229 0.000 1.437 500 C CB -0.846 26.823 27.740 -0.119 0.000 1.850 500 C HN 0.399 nan 8.230 nan 0.000 0.481 501 P HA 0.317 nan 4.420 nan 0.000 0.272 501 P C -0.410 176.833 177.300 -0.094 0.000 1.240 501 P CA 0.335 63.324 63.100 -0.184 0.000 0.791 501 P CB 0.660 32.267 31.700 -0.155 0.000 0.978 502 M N 0.126 119.700 119.600 -0.044 0.000 2.190 502 M HA 0.466 4.955 4.480 0.016 0.000 0.312 502 M C -0.842 175.467 176.300 0.014 0.000 0.990 502 M CA -0.667 54.509 55.300 -0.206 0.000 0.927 502 M CB 1.319 33.755 32.600 -0.274 0.000 1.571 502 M HN 0.349 nan 8.290 nan 0.000 0.427 503 Y N -0.280 120.181 120.300 0.269 0.000 4.569 503 Y HA -0.217 4.343 4.550 0.017 0.000 0.237 503 Y C 0.530 176.601 175.900 0.286 0.000 1.090 503 Y CA 0.376 58.641 58.100 0.275 0.000 2.052 503 Y CB -2.080 36.528 38.460 0.246 0.000 1.621 503 Y HN 0.984 nan 8.280 nan 0.000 0.682 504 A N 1.319 124.359 122.820 0.366 0.000 2.440 504 A HA 0.579 4.909 4.320 0.016 0.000 0.251 504 A C 0.690 178.504 177.584 0.384 0.000 1.089 504 A CA -0.432 51.826 52.037 0.369 0.000 0.779 504 A CB 0.392 19.642 19.000 0.416 0.000 1.022 504 A HN 0.411 nan 8.150 nan 0.000 0.492 505 R N 1.609 122.264 120.500 0.259 0.000 2.546 505 R HA 0.355 4.704 4.340 0.016 0.000 0.266 505 R C 0.963 177.253 176.300 -0.017 0.000 1.086 505 R CA -0.805 55.375 56.100 0.133 0.000 1.160 505 R CB 0.398 30.732 30.300 0.058 0.000 1.138 505 R HN 0.447 nan 8.270 nan 0.000 0.567 506 V N 0.635 120.377 119.914 -0.286 0.000 2.244 506 V HA -0.214 3.916 4.120 0.016 0.000 0.244 506 V C 1.073 177.065 176.094 -0.171 0.000 1.042 506 V CA 1.912 64.006 62.300 -0.343 0.000 1.006 506 V CB -0.267 31.219 31.823 -0.562 0.000 0.641 506 V HN 0.744 nan 8.190 nan 0.000 0.446 507 D N -1.449 118.875 120.400 -0.126 0.000 2.423 507 D HA 0.094 4.744 4.640 0.016 0.000 0.212 507 D C 0.929 177.217 176.300 -0.021 0.000 1.060 507 D CA 0.080 54.040 54.000 -0.066 0.000 0.872 507 D CB 0.614 41.378 40.800 -0.060 0.000 1.012 507 D HN 0.469 nan 8.370 nan 0.000 0.503 508 E N 1.900 122.091 120.200 -0.016 0.000 2.200 508 E HA 0.095 4.454 4.350 0.016 0.000 0.283 508 E C -0.792 175.815 176.600 0.011 0.000 1.015 508 E CA -0.583 55.816 56.400 -0.001 0.000 0.819 508 E CB 0.957 30.654 29.700 -0.004 0.000 1.081 508 E HN -0.142 nan 8.360 nan 0.000 0.397 509 D N 3.529 123.939 120.400 0.016 0.000 2.313 509 D HA 0.137 4.787 4.640 0.016 0.000 0.247 509 D C -0.550 175.652 176.300 -0.164 0.000 1.094 509 D CA 0.177 54.184 54.000 0.013 0.000 0.925 509 D CB 1.119 42.017 40.800 0.163 0.000 1.188 509 D HN 0.406 nan 8.370 nan 0.000 0.430 510 Q N 1.095 120.664 119.800 -0.385 0.000 2.891 510 Q HA 0.249 4.599 4.340 0.016 0.000 0.242 510 Q C -2.371 172.988 176.000 -1.069 0.000 0.959 510 Q CA -1.464 53.904 55.803 -0.725 0.000 0.707 510 Q CB 2.555 30.864 28.738 -0.715 0.000 1.283 510 Q HN 0.140 nan 8.270 nan 0.000 0.480 511 P HA 0.075 nan 4.420 nan 0.000 0.219 511 P C -0.727 176.255 177.300 -0.531 0.000 1.832 511 P CA -0.172 62.498 63.100 -0.716 0.000 1.014 511 P CB -0.499 31.009 31.700 -0.319 0.000 1.939 512 F N 2.397 122.176 119.950 -0.286 0.000 2.496 512 F HA 0.207 4.743 4.527 0.015 0.000 0.344 512 F C -1.274 174.425 175.800 -0.167 0.000 1.155 512 F CA -2.229 55.663 58.000 -0.179 0.000 1.302 512 F CB -0.592 38.318 39.000 -0.149 0.000 1.159 512 F HN 0.097 nan 8.300 nan 0.000 0.595 513 P HA 0.186 nan 4.420 nan 0.000 0.271 513 P C 0.254 177.579 177.300 0.042 0.000 1.218 513 P CA 0.783 63.907 63.100 0.041 0.000 0.780 513 P CB 1.254 32.976 31.700 0.037 0.000 0.901 514 A N 2.505 125.342 122.820 0.028 0.000 1.691 514 A HA -0.252 4.077 4.320 0.016 0.000 0.227 514 A C 0.774 178.373 177.584 0.026 0.000 0.423 514 A CA 2.091 54.147 52.037 0.031 0.000 1.102 514 A CB -2.797 16.219 19.000 0.027 0.000 1.455 514 A HN 0.746 nan 8.150 nan 0.000 0.714 515 V N -2.805 117.121 119.914 0.020 0.000 2.454 515 V HA 0.581 4.711 4.120 0.016 0.000 0.255 515 V C -2.370 173.727 176.094 0.005 0.000 1.009 515 V CA -1.334 60.974 62.300 0.015 0.000 1.149 515 V CB 0.545 32.372 31.823 0.007 0.000 1.418 515 V HN 0.503 nan 8.190 nan 0.000 0.567 516 P HA 0.286 nan 4.420 nan 0.000 0.272 516 P C -0.614 176.302 177.300 -0.641 0.000 1.230 516 P CA 0.017 62.786 63.100 -0.551 0.000 0.788 516 P CB 0.975 31.830 31.700 -1.408 0.000 0.949 517 K N 1.794 121.864 120.400 -0.550 0.000 2.419 517 K HA 0.208 4.537 4.320 0.016 0.000 0.244 517 K C -0.440 175.862 176.600 -0.497 0.000 1.045 517 K CA -0.261 55.858 56.287 -0.279 0.000 1.004 517 K CB 0.304 32.917 32.500 0.189 0.000 1.376 517 K HN 0.463 nan 8.250 nan 0.000 0.460 518 W N 1.501 122.538 121.300 -0.438 0.000 2.112 518 W HA 0.014 4.684 4.660 0.018 0.000 0.349 518 W C 1.354 177.890 176.519 0.028 0.000 1.289 518 W CA -0.479 56.681 57.345 -0.308 0.000 1.256 518 W CB 0.425 29.537 29.460 -0.580 0.000 1.148 518 W HN 0.386 nan 8.180 nan 0.000 0.590 519 S N 3.368 119.238 115.700 0.283 0.000 2.558 519 S HA -0.073 4.406 4.470 0.016 0.000 0.291 519 S C 1.124 175.884 174.600 0.268 0.000 1.306 519 S CA -0.190 58.119 58.200 0.181 0.000 1.056 519 S CB 0.222 63.476 63.200 0.090 0.000 0.836 519 S HN 0.521 nan 8.310 nan 0.000 0.504 520 I N 1.455 122.146 120.570 0.202 0.000 2.493 520 I HA -0.099 4.080 4.170 0.016 0.000 0.254 520 I C 2.011 178.168 176.117 0.068 0.000 1.160 520 I CA 1.134 62.559 61.300 0.208 0.000 1.445 520 I CB -0.408 37.653 38.000 0.101 0.000 1.086 520 I HN 0.597 nan 8.210 nan 0.000 0.433 521 K N 1.575 121.917 120.400 -0.097 0.000 2.103 521 K HA -0.117 4.213 4.320 0.016 0.000 0.204 521 K C 2.292 178.885 176.600 -0.012 0.000 1.052 521 K CA 1.279 57.411 56.287 -0.259 0.000 0.945 521 K CB -0.126 32.154 32.500 -0.366 0.000 0.722 521 K HN 0.352 nan 8.250 nan 0.000 0.443 522 K N 0.310 120.735 120.400 0.042 0.000 2.103 522 K HA -0.172 4.157 4.320 0.016 0.000 0.204 522 K C 1.859 178.507 176.600 0.079 0.000 1.052 522 K CA 0.824 57.129 56.287 0.030 0.000 0.945 522 K CB -0.077 32.407 32.500 -0.027 0.000 0.722 522 K HN 0.204 nan 8.250 nan 0.000 0.443 523 W N 2.304 123.616 121.300 0.020 0.000 2.321 523 W HA -0.218 4.449 4.660 0.011 0.000 0.306 523 W C 1.679 178.203 176.519 0.008 0.000 1.217 523 W CA 1.210 58.590 57.345 0.060 0.000 1.257 523 W CB -0.673 28.887 29.460 0.167 0.000 1.145 523 W HN 0.093 nan 8.180 nan 0.000 0.509 524 L N 0.703 122.102 121.223 0.294 0.000 2.081 524 L HA -0.249 4.100 4.340 0.016 0.000 0.212 524 L C 2.125 179.073 176.870 0.131 0.000 1.080 524 L CA 2.060 57.001 54.840 0.169 0.000 0.754 524 L CB -1.085 41.054 42.059 0.135 0.000 0.893 524 L HN -0.017 nan 8.230 nan 0.000 0.433 525 S N -1.302 114.458 115.700 0.100 0.000 2.583 525 S HA 0.290 4.769 4.470 0.016 0.000 0.239 525 S C 0.451 175.050 174.600 -0.002 0.000 0.966 525 S CA -0.534 57.695 58.200 0.048 0.000 0.973 525 S CB -0.461 62.763 63.200 0.040 0.000 0.794 525 S HN 0.139 nan 8.310 nan 0.000 0.463 526 L N 2.100 123.319 121.223 -0.008 0.000 2.506 526 L HA 0.214 4.563 4.340 0.016 0.000 0.281 526 L C -2.169 174.678 176.870 -0.038 0.000 1.228 526 L CA -1.731 53.054 54.840 -0.092 0.000 0.850 526 L CB -0.203 41.787 42.059 -0.114 0.000 1.110 526 L HN 0.038 nan 8.230 nan 0.000 0.496 527 P HA -0.065 nan 4.420 nan 0.000 0.259 527 P C 0.764 178.062 177.300 -0.003 0.000 1.163 527 P CA 1.162 64.244 63.100 -0.030 0.000 0.760 527 P CB 0.469 32.146 31.700 -0.039 0.000 0.762 528 G N 1.752 110.557 108.800 0.008 0.000 2.245 528 G HA2 -0.308 3.661 3.960 0.016 0.000 0.264 528 G HA3 -0.308 3.661 3.960 0.016 0.000 0.264 528 G C 0.322 175.244 174.900 0.037 0.000 0.985 528 G CA 0.389 45.501 45.100 0.022 0.000 0.625 528 G HN 0.637 nan 8.290 nan 0.000 0.536 529 E N 0.983 121.212 120.200 0.047 0.000 2.360 529 E HA 0.565 4.924 4.350 0.016 0.000 0.269 529 E C 1.387 178.020 176.600 0.054 0.000 1.022 529 E CA 0.789 57.231 56.400 0.070 0.000 0.887 529 E CB 0.728 30.499 29.700 0.117 0.000 0.990 529 E HN 0.559 nan 8.360 nan 0.000 0.426 530 T N 0.582 115.164 114.554 0.047 0.000 3.080 530 T HA 0.318 4.678 4.350 0.016 0.000 0.280 530 T C 0.534 175.250 174.700 0.027 0.000 0.926 530 T CA -0.472 61.649 62.100 0.036 0.000 0.883 530 T CB 0.075 68.962 68.868 0.032 0.000 1.194 530 T HN 0.269 nan 8.240 nan 0.000 0.541 531 R N 2.375 122.887 120.500 0.021 0.000 2.707 531 R HA 0.464 4.814 4.340 0.016 0.000 0.270 531 R C -2.501 173.786 176.300 -0.022 0.000 1.083 531 R CA -1.747 54.354 56.100 0.001 0.000 1.182 531 R CB 0.072 30.366 30.300 -0.011 0.000 1.084 531 R HN 0.253 nan 8.270 nan 0.000 0.528 532 P HA 0.145 nan 4.420 nan 0.000 0.278 532 P C -1.132 176.102 177.300 -0.110 0.000 1.258 532 P CA -0.280 62.783 63.100 -0.061 0.000 0.811 532 P CB 0.824 32.488 31.700 -0.059 0.000 1.063 533 L N 2.310 123.448 121.223 -0.142 0.000 2.349 533 L HA 0.565 4.914 4.340 0.016 0.000 0.278 533 L C -0.926 175.805 176.870 -0.232 0.000 0.996 533 L CA -0.659 54.057 54.840 -0.207 0.000 0.825 533 L CB 0.585 42.516 42.059 -0.213 0.000 1.243 533 L HN 0.232 nan 8.230 nan 0.000 0.412 534 I N 5.811 126.253 120.570 -0.214 0.000 2.468 534 I HA 0.255 4.435 4.170 0.016 0.000 0.285 534 I C -0.816 175.220 176.117 -0.135 0.000 1.039 534 I CA -0.617 60.550 61.300 -0.222 0.000 1.074 534 I CB 1.925 39.853 38.000 -0.121 0.000 1.228 534 I HN 0.451 nan 8.210 nan 0.000 0.436 535 L N 5.530 126.648 121.223 -0.175 0.000 2.410 535 L HA 0.063 4.412 4.340 0.016 0.000 0.273 535 L C 1.492 178.450 176.870 0.147 0.000 1.152 535 L CA -0.165 54.640 54.840 -0.058 0.000 0.855 535 L CB 0.683 42.698 42.059 -0.073 0.000 1.129 535 L HN 0.853 nan 8.230 nan 0.000 0.463 536 C N 0.092 119.446 119.300 0.090 0.000 2.448 536 C HA 0.128 4.597 4.460 0.016 0.000 0.280 536 C C 0.664 175.785 174.990 0.219 0.000 1.398 536 C CA -0.139 58.965 59.018 0.143 0.000 1.774 536 C CB -1.047 26.691 27.740 -0.003 0.000 1.888 536 C HN 0.827 nan 8.230 nan 0.000 0.519 537 E N -0.901 119.358 120.200 0.097 0.000 2.321 537 E HA 0.637 4.997 4.350 0.016 0.000 0.278 537 E C -1.378 175.171 176.600 -0.084 0.000 0.902 537 E CA -0.433 56.000 56.400 0.054 0.000 0.758 537 E CB 2.154 31.688 29.700 -0.275 0.000 1.213 537 E HN 0.659 nan 8.360 nan 0.000 0.426 538 Y N -1.075 119.208 120.300 -0.028 0.000 2.677 538 Y HA 0.598 5.158 4.550 0.018 0.000 0.334 538 Y C -0.826 175.236 175.900 0.270 0.000 1.196 538 Y CA -0.835 57.261 58.100 -0.005 0.000 1.059 538 Y CB 0.842 39.145 38.460 -0.262 0.000 1.315 538 Y HN 0.670 nan 8.280 nan 0.000 0.455 539 A N 2.108 125.010 122.820 0.137 0.000 2.303 539 A HA -0.263 4.067 4.320 0.016 0.000 0.286 539 A C -0.360 177.372 177.584 0.248 0.000 1.429 539 A CA 1.021 53.151 52.037 0.155 0.000 0.738 539 A CB -2.402 16.608 19.000 0.017 0.000 1.149 539 A HN 1.121 nan 8.150 nan 0.000 0.364 540 H N 0.966 120.217 119.070 0.303 0.000 3.342 540 H HA 0.237 4.802 4.556 0.016 0.000 0.237 540 H C 1.224 176.635 175.328 0.139 0.000 1.044 540 H CA 0.867 57.100 56.048 0.307 0.000 1.436 540 H CB 0.148 30.010 29.762 0.166 0.000 1.569 540 H HN 0.812 nan 8.280 nan 0.000 0.507 541 A N 6.397 129.167 122.820 -0.083 0.000 2.426 541 A HA 0.004 4.333 4.320 0.016 0.000 0.247 541 A C 1.083 178.541 177.584 -0.210 0.000 1.389 541 A CA -0.282 51.662 52.037 -0.156 0.000 1.129 541 A CB -0.755 18.114 19.000 -0.219 0.000 0.928 541 A HN 0.795 nan 8.150 nan 0.000 0.557 542 M N 1.287 120.776 119.600 -0.186 0.000 2.193 542 M HA 0.431 4.920 4.480 0.016 0.000 0.342 542 M C 1.031 177.204 176.300 -0.211 0.000 1.413 542 M CA 1.127 56.320 55.300 -0.179 0.000 1.191 542 M CB -0.386 32.192 32.600 -0.037 0.000 1.633 542 M HN 0.772 nan 8.290 nan 0.000 0.458 543 G N 4.559 113.215 108.800 -0.240 0.000 2.591 543 G HA2 -0.364 3.605 3.960 0.016 0.000 0.298 543 G HA3 -0.364 3.605 3.960 0.016 0.000 0.298 543 G C -0.110 174.330 174.900 -0.767 0.000 1.195 543 G CA 0.275 45.091 45.100 -0.473 0.000 0.989 543 G HN 0.840 nan 8.290 nan 0.000 0.551 544 N N 1.448 119.500 118.700 -1.081 0.000 2.421 544 N HA 0.519 5.269 4.740 0.016 0.000 0.260 544 N C -0.011 175.261 175.510 -0.397 0.000 1.173 544 N CA 1.105 53.680 53.050 -0.791 0.000 0.960 544 N CB 0.629 38.665 38.487 -0.752 0.000 1.273 544 N HN 0.819 nan 8.380 nan 0.000 0.497 545 S N 2.241 117.800 115.700 -0.235 0.000 2.929 545 S HA 0.590 5.070 4.470 0.016 0.000 0.311 545 S C -0.397 174.149 174.600 -0.089 0.000 1.213 545 S CA -0.331 57.779 58.200 -0.150 0.000 0.908 545 S CB -0.034 63.099 63.200 -0.111 0.000 1.287 545 S HN 0.392 nan 8.310 nan 0.000 0.594 546 L N 0.134 121.339 121.223 -0.030 0.000 4.456 546 L HA -0.032 4.317 4.340 0.016 0.000 0.394 546 L C 0.405 177.327 176.870 0.086 0.000 1.078 546 L CA 0.846 55.692 54.840 0.010 0.000 1.085 546 L CB -1.664 40.315 42.059 -0.135 0.000 2.131 546 L HN 0.729 nan 8.230 nan 0.000 0.635 547 G N -0.787 108.037 108.800 0.040 0.000 2.378 547 G HA2 0.489 4.458 3.960 0.016 0.000 0.255 547 G HA3 0.489 4.458 3.960 0.016 0.000 0.255 547 G C 1.216 176.177 174.900 0.103 0.000 1.270 547 G CA 0.185 45.284 45.100 -0.001 0.000 0.876 547 G HN 1.385 nan 8.290 nan 0.000 0.521 548 G N 1.596 110.447 108.800 0.084 0.000 2.176 548 G HA2 -0.316 3.654 3.960 0.016 0.000 0.253 548 G HA3 -0.316 3.654 3.960 0.016 0.000 0.253 548 G C 0.985 176.079 174.900 0.322 0.000 0.979 548 G CA 0.725 45.928 45.100 0.172 0.000 0.641 548 G HN 0.746 nan 8.290 nan 0.000 0.530 549 F N 1.839 121.926 119.950 0.229 0.000 2.134 549 F HA 0.170 4.707 4.527 0.017 0.000 0.299 549 F C 2.695 178.725 175.800 0.383 0.000 1.097 549 F CA 2.475 60.693 58.000 0.364 0.000 1.264 549 F CB -0.431 38.721 39.000 0.253 0.000 1.001 549 F HN 0.334 nan 8.300 nan 0.000 0.479 550 A N -0.342 122.667 122.820 0.316 0.000 2.024 550 A HA -0.246 4.084 4.320 0.016 0.000 0.220 550 A C 2.291 179.903 177.584 0.048 0.000 1.164 550 A CA 1.746 53.894 52.037 0.185 0.000 0.643 550 A CB -0.815 18.294 19.000 0.182 0.000 0.806 550 A HN 0.448 nan 8.150 nan 0.000 0.451 551 K N -1.595 118.811 120.400 0.010 0.000 2.097 551 K HA -0.174 4.155 4.320 0.016 0.000 0.206 551 K C 1.706 178.071 176.600 -0.391 0.000 1.049 551 K CA 1.658 57.856 56.287 -0.148 0.000 0.933 551 K CB -0.288 32.117 32.500 -0.158 0.000 0.717 551 K HN 0.627 nan 8.250 nan 0.000 0.442 552 Y N -0.814 119.196 120.300 -0.484 0.000 2.114 552 Y HA -0.260 4.299 4.550 0.015 0.000 0.284 552 Y C 2.090 176.990 175.900 -1.666 0.000 1.143 552 Y CA 1.538 58.977 58.100 -1.103 0.000 1.135 552 Y CB -0.337 37.548 38.460 -0.958 0.000 0.980 552 Y HN 0.168 nan 8.280 nan 0.000 0.499 553 W N 0.050 120.907 121.300 -0.740 0.000 2.338 553 W HA -0.244 4.427 4.660 0.018 0.000 0.304 553 W C 2.623 178.957 176.519 -0.308 0.000 1.212 553 W CA 1.581 58.634 57.345 -0.486 0.000 1.264 553 W CB -0.815 28.466 29.460 -0.297 0.000 1.142 553 W HN 0.069 nan 8.180 nan 0.000 0.512 554 Q N 0.730 120.435 119.800 -0.157 0.000 2.096 554 Q HA -0.188 4.162 4.340 0.016 0.000 0.204 554 Q C 2.207 178.135 176.000 -0.121 0.000 0.982 554 Q CA 2.292 58.044 55.803 -0.086 0.000 0.850 554 Q CB -0.777 27.930 28.738 -0.052 0.000 0.901 554 Q HN 0.282 nan 8.270 nan 0.000 0.422 555 A N -0.440 122.212 122.820 -0.279 0.000 1.929 555 A HA -0.065 4.265 4.320 0.016 0.000 0.216 555 A C 2.073 179.620 177.584 -0.061 0.000 1.176 555 A CA 0.793 52.713 52.037 -0.194 0.000 0.628 555 A CB -0.938 17.831 19.000 -0.385 0.000 0.816 555 A HN 0.459 nan 8.150 nan 0.000 0.444 556 F N -0.414 119.350 119.950 -0.311 0.000 2.161 556 F HA -0.199 4.338 4.527 0.016 0.000 0.300 556 F C 2.761 178.448 175.800 -0.188 0.000 1.089 556 F CA 1.032 58.813 58.000 -0.366 0.000 1.282 556 F CB -0.095 38.460 39.000 -0.743 0.000 1.010 556 F HN 0.170 nan 8.300 nan 0.000 0.485 557 R N -0.069 120.479 120.500 0.079 0.000 2.093 557 R HA -0.141 4.209 4.340 0.016 0.000 0.224 557 R C 2.155 178.487 176.300 0.054 0.000 1.101 557 R CA 0.989 57.125 56.100 0.059 0.000 0.979 557 R CB -0.352 29.979 30.300 0.052 0.000 0.877 557 R HN 0.331 nan 8.270 nan 0.000 0.441 558 Q N -0.368 119.489 119.800 0.094 0.000 2.123 558 Q HA -0.080 4.269 4.340 0.016 0.000 0.199 558 Q C -0.433 175.585 176.000 0.030 0.000 0.966 558 Q CA 1.052 56.899 55.803 0.074 0.000 0.845 558 Q CB 0.313 29.128 28.738 0.128 0.000 0.907 558 Q HN 0.185 nan 8.270 nan 0.000 0.439 559 Y N 0.244 120.527 120.300 -0.029 0.000 2.367 559 Y HA 0.222 4.781 4.550 0.014 0.000 0.342 559 Y C -1.722 174.154 175.900 -0.039 0.000 0.979 559 Y CA -2.778 55.305 58.100 -0.027 0.000 1.161 559 Y CB 1.233 39.683 38.460 -0.017 0.000 1.155 559 Y HN 0.149 nan 8.280 nan 0.000 0.503 560 P HA -0.198 nan 4.420 nan 0.000 0.215 560 P C 1.119 178.424 177.300 0.009 0.000 1.157 560 P CA 1.886 64.989 63.100 0.004 0.000 0.874 560 P CB 0.296 31.983 31.700 -0.021 0.000 0.790 561 R N -1.148 119.377 120.500 0.042 0.000 2.316 561 R HA 0.069 4.418 4.340 0.016 0.000 0.202 561 R C 0.509 176.795 176.300 -0.023 0.000 1.029 561 R CA 0.168 56.275 56.100 0.012 0.000 1.018 561 R CB -0.578 29.740 30.300 0.029 0.000 0.888 561 R HN 0.248 nan 8.270 nan 0.000 0.471 562 L N 1.882 123.110 121.223 0.009 0.000 2.312 562 L HA 0.118 4.467 4.340 0.016 0.000 0.287 562 L C 0.551 177.281 176.870 -0.234 0.000 1.091 562 L CA 0.176 54.972 54.840 -0.073 0.000 0.846 562 L CB 1.084 43.174 42.059 0.053 0.000 1.219 562 L HN 0.091 nan 8.230 nan 0.000 0.439 563 Q N 2.796 122.379 119.800 -0.363 0.000 2.189 563 Q HA 0.319 4.669 4.340 0.016 0.000 0.221 563 Q C 0.807 176.387 176.000 -0.700 0.000 0.848 563 Q CA 0.083 55.633 55.803 -0.422 0.000 1.007 563 Q CB 1.095 29.681 28.738 -0.253 0.000 1.116 563 Q HN 0.952 nan 8.270 nan 0.000 0.481 564 G N -0.338 107.638 108.800 -1.373 0.000 2.416 564 G HA2 0.112 4.081 3.960 0.016 0.000 0.203 564 G HA3 0.112 4.081 3.960 0.016 0.000 0.203 564 G C -0.284 173.790 174.900 -1.377 0.000 1.227 564 G CA -0.726 43.218 45.100 -1.927 0.000 1.041 564 G HN 0.572 nan 8.290 nan 0.000 0.546 565 G N -2.258 106.041 108.800 -0.834 0.000 2.342 565 G HA2 0.651 4.621 3.960 0.016 0.000 0.297 565 G HA3 0.651 4.621 3.960 0.016 0.000 0.297 565 G C -1.890 173.007 174.900 -0.005 0.000 1.313 565 G CA -0.235 44.637 45.100 -0.380 0.000 0.830 565 G HN 1.182 nan 8.290 nan 0.000 0.506 566 F N 0.390 120.610 119.950 0.450 0.000 2.477 566 F HA 0.551 5.087 4.527 0.014 0.000 0.335 566 F C 0.670 176.734 175.800 0.440 0.000 1.130 566 F CA -0.811 57.453 58.000 0.441 0.000 0.948 566 F CB 2.176 41.328 39.000 0.253 0.000 1.154 566 F HN 0.264 nan 8.300 nan 0.000 0.439 567 V N 3.239 123.412 119.914 0.431 0.000 2.740 567 V HA -0.118 4.011 4.120 0.016 0.000 0.303 567 V C -0.297 175.926 176.094 0.215 0.000 1.054 567 V CA -0.288 62.058 62.300 0.077 0.000 1.106 567 V CB 0.858 32.763 31.823 0.136 0.000 0.957 567 V HN 0.777 nan 8.190 nan 0.000 0.486 568 W N 6.793 128.145 121.300 0.086 0.000 2.282 568 W HA 0.442 5.111 4.660 0.015 0.000 0.322 568 W C -0.772 175.738 176.519 -0.016 0.000 1.011 568 W CA -0.578 56.851 57.345 0.140 0.000 1.392 568 W CB 1.097 30.795 29.460 0.397 0.000 1.215 568 W HN 0.938 nan 8.180 nan 0.000 0.394 569 D N 2.629 122.732 120.400 -0.495 0.000 2.946 569 D HA 0.063 4.713 4.640 0.016 0.000 0.337 569 D C 0.506 176.575 176.300 -0.386 0.000 1.332 569 D CA -0.511 53.097 54.000 -0.654 0.000 0.935 569 D CB 0.170 39.989 40.800 -1.633 0.000 1.440 569 D HN 0.357 nan 8.370 nan 0.000 0.540 570 W N 0.450 121.431 121.300 -0.532 0.000 2.423 570 W HA 0.197 4.867 4.660 0.016 0.000 0.321 570 W C -0.017 176.274 176.519 -0.381 0.000 1.180 570 W CA 1.170 58.257 57.345 -0.430 0.000 1.322 570 W CB 0.262 29.493 29.460 -0.381 0.000 1.174 570 W HN 0.152 nan 8.180 nan 0.000 0.470 571 V N 2.658 122.349 119.914 -0.372 0.000 2.604 571 V HA 0.235 4.364 4.120 0.016 0.000 0.305 571 V C -0.917 174.991 176.094 -0.309 0.000 1.043 571 V CA -0.729 61.310 62.300 -0.435 0.000 0.888 571 V CB 1.477 33.157 31.823 -0.239 0.000 0.995 571 V HN -0.079 nan 8.190 nan 0.000 0.429 572 D N 4.004 124.221 120.400 -0.305 0.000 2.493 572 D HA 0.093 4.743 4.640 0.016 0.000 0.240 572 D C 0.352 176.521 176.300 -0.217 0.000 1.142 572 D CA 0.694 54.569 54.000 -0.208 0.000 0.872 572 D CB 0.849 41.610 40.800 -0.066 0.000 1.173 572 D HN 0.591 nan 8.370 nan 0.000 0.467 573 Q N 1.269 120.855 119.800 -0.358 0.000 3.170 573 Q HA 0.114 4.464 4.340 0.016 0.000 0.346 573 Q C -0.141 175.786 176.000 -0.122 0.000 1.333 573 Q CA -0.294 55.051 55.803 -0.764 0.000 0.958 573 Q CB 0.035 28.426 28.738 -0.578 0.000 1.600 573 Q HN 0.374 nan 8.270 nan 0.000 0.482 574 S N -0.300 115.463 115.700 0.104 0.000 2.585 574 S HA 0.594 5.073 4.470 0.016 0.000 0.277 574 S C -0.092 174.680 174.600 0.286 0.000 1.241 574 S CA -0.775 57.599 58.200 0.291 0.000 1.041 574 S CB 1.420 64.777 63.200 0.262 0.000 0.987 574 S HN 0.311 nan 8.310 nan 0.000 0.512 575 L N 1.933 123.275 121.223 0.197 0.000 2.334 575 L HA 0.519 4.869 4.340 0.016 0.000 0.272 575 L C -0.331 176.452 176.870 -0.144 0.000 1.020 575 L CA -1.266 53.559 54.840 -0.024 0.000 0.812 575 L CB 1.135 43.045 42.059 -0.248 0.000 1.264 575 L HN 0.541 nan 8.230 nan 0.000 0.439 576 I N 2.242 122.661 120.570 -0.252 0.000 2.474 576 I HA 0.266 4.445 4.170 0.016 0.000 0.287 576 I C 0.127 175.810 176.117 -0.724 0.000 1.048 576 I CA -0.104 60.902 61.300 -0.489 0.000 1.383 576 I CB 0.862 38.587 38.000 -0.458 0.000 1.412 576 I HN 0.577 nan 8.210 nan 0.000 0.531 577 K N 5.713 125.374 120.400 -1.231 0.000 2.444 577 K HA 0.585 4.915 4.320 0.016 0.000 0.252 577 K C -1.597 174.141 176.600 -1.436 0.000 0.993 577 K CA -0.760 54.708 56.287 -1.366 0.000 0.847 577 K CB 2.294 33.804 32.500 -1.650 0.000 1.340 577 K HN 0.222 nan 8.250 nan 0.000 0.446 578 Y N 0.761 120.823 120.300 -0.397 0.000 2.409 578 Y HA 0.161 4.720 4.550 0.016 0.000 0.343 578 Y C -0.124 175.916 175.900 0.235 0.000 0.973 578 Y CA -1.061 57.007 58.100 -0.054 0.000 1.064 578 Y CB 1.420 39.850 38.460 -0.051 0.000 1.207 578 Y HN 0.664 nan 8.280 nan 0.000 0.452 579 D N 0.248 120.930 120.400 0.470 0.000 2.383 579 D HA 0.072 4.721 4.640 0.016 0.000 0.248 579 D C 0.686 177.100 176.300 0.191 0.000 1.170 579 D CA -0.468 53.719 54.000 0.311 0.000 0.977 579 D CB 0.717 41.614 40.800 0.163 0.000 1.120 579 D HN 0.640 nan 8.370 nan 0.000 0.481 580 E N 0.292 120.561 120.200 0.114 0.000 2.169 580 E HA -0.264 4.095 4.350 0.016 0.000 0.202 580 E C 1.060 177.696 176.600 0.059 0.000 1.016 580 E CA 1.413 57.854 56.400 0.070 0.000 0.817 580 E CB -0.487 29.236 29.700 0.039 0.000 0.736 580 E HN 0.599 nan 8.360 nan 0.000 0.462 581 N N 0.180 118.921 118.700 0.068 0.000 2.515 581 N HA -0.019 4.731 4.740 0.016 0.000 0.191 581 N C 1.183 176.736 175.510 0.071 0.000 1.182 581 N CA 0.854 53.938 53.050 0.057 0.000 0.879 581 N CB 0.640 39.155 38.487 0.047 0.000 0.984 581 N HN 0.255 nan 8.380 nan 0.000 0.453 582 G N 0.742 109.602 108.800 0.100 0.000 2.148 582 G HA2 -0.256 3.713 3.960 0.016 0.000 0.254 582 G HA3 -0.256 3.713 3.960 0.016 0.000 0.254 582 G C -0.433 174.602 174.900 0.225 0.000 0.981 582 G CA -0.296 44.866 45.100 0.103 0.000 0.670 582 G HN 0.456 nan 8.290 nan 0.000 0.528 583 N N 1.717 120.561 118.700 0.240 0.000 2.455 583 N HA 0.426 5.175 4.740 0.016 0.000 0.280 583 N C -2.634 173.060 175.510 0.307 0.000 1.055 583 N CA -1.075 52.124 53.050 0.248 0.000 0.961 583 N CB 2.194 40.780 38.487 0.165 0.000 1.121 583 N HN 0.189 nan 8.380 nan 0.000 0.476 584 P HA 0.321 nan 4.420 nan 0.000 0.282 584 P C -0.618 176.665 177.300 -0.029 0.000 1.249 584 P CA -0.313 62.668 63.100 -0.198 0.000 0.806 584 P CB 0.848 32.420 31.700 -0.212 0.000 0.984 585 W N -0.828 120.239 121.300 -0.389 0.000 3.146 585 W HA 0.392 5.062 4.660 0.016 0.000 0.319 585 W C -1.552 174.796 176.519 -0.285 0.000 1.258 585 W CA -0.974 56.165 57.345 -0.343 0.000 1.189 585 W CB 0.233 29.316 29.460 -0.629 0.000 1.412 585 W HN 0.117 nan 8.180 nan 0.000 0.567 586 S N 1.497 117.253 115.700 0.093 0.000 2.499 586 S HA 0.596 5.075 4.470 0.016 0.000 0.275 586 S C 0.171 174.905 174.600 0.224 0.000 1.257 586 S CA -0.255 57.988 58.200 0.072 0.000 1.050 586 S CB 1.024 64.349 63.200 0.209 0.000 0.937 586 S HN 0.629 nan 8.310 nan 0.000 0.490 587 A N 2.826 125.644 122.820 -0.002 0.000 2.320 587 A HA 0.865 5.194 4.320 0.016 0.000 0.334 587 A C -0.660 177.202 177.584 0.463 0.000 1.147 587 A CA -0.730 51.370 52.037 0.105 0.000 0.820 587 A CB 0.612 19.430 19.000 -0.304 0.000 1.218 587 A HN 0.846 nan 8.150 nan 0.000 0.482 588 Y N -0.514 120.139 120.300 0.588 0.000 3.048 588 Y HA 0.772 5.331 4.550 0.016 0.000 0.305 588 Y C 0.663 176.952 175.900 0.649 0.000 1.538 588 Y CA -1.466 56.982 58.100 0.580 0.000 1.082 588 Y CB -0.111 38.503 38.460 0.257 0.000 1.388 588 Y HN 0.916 nan 8.280 nan 0.000 0.557 589 G N -0.068 109.151 108.800 0.699 0.000 2.224 589 G HA2 0.367 4.336 3.960 0.016 0.000 0.239 589 G HA3 0.367 4.336 3.960 0.016 0.000 0.239 589 G C 0.954 176.189 174.900 0.560 0.000 1.240 589 G CA 0.523 45.935 45.100 0.520 0.000 0.896 589 G HN 1.989 nan 8.290 nan 0.000 0.496 590 G N 2.364 111.459 108.800 0.491 0.000 2.268 590 G HA2 -0.283 3.686 3.960 0.016 0.000 0.240 590 G HA3 -0.283 3.686 3.960 0.016 0.000 0.240 590 G C 0.936 176.035 174.900 0.332 0.000 1.010 590 G CA 0.663 45.986 45.100 0.373 0.000 0.618 590 G HN 0.646 nan 8.290 nan 0.000 0.516 591 D N -0.095 120.522 120.400 0.362 0.000 2.392 591 D HA 0.135 4.785 4.640 0.016 0.000 0.228 591 D C 1.349 177.554 176.300 -0.159 0.000 1.003 591 D CA 0.542 54.590 54.000 0.080 0.000 0.917 591 D CB -0.221 40.569 40.800 -0.016 0.000 0.890 591 D HN 0.483 nan 8.370 nan 0.000 0.532 592 F N -1.016 119.073 119.950 0.231 0.000 2.661 592 F HA 0.302 4.839 4.527 0.016 0.000 0.306 592 F C 1.821 177.710 175.800 0.148 0.000 1.094 592 F CA -0.097 57.996 58.000 0.155 0.000 1.254 592 F CB 0.732 39.826 39.000 0.157 0.000 1.040 592 F HN -0.042 nan 8.300 nan 0.000 0.562 593 G N 0.498 109.460 108.800 0.271 0.000 2.159 593 G HA2 -0.268 3.702 3.960 0.016 0.000 0.256 593 G HA3 -0.268 3.702 3.960 0.016 0.000 0.256 593 G C -0.254 174.784 174.900 0.230 0.000 0.977 593 G CA 0.128 45.350 45.100 0.204 0.000 0.652 593 G HN 0.398 nan 8.290 nan 0.000 0.531 594 D N 0.517 121.105 120.400 0.313 0.000 2.401 594 D HA 0.499 5.149 4.640 0.016 0.000 0.254 594 D C 0.117 176.540 176.300 0.204 0.000 1.192 594 D CA 0.920 55.090 54.000 0.284 0.000 0.885 594 D CB 1.650 42.678 40.800 0.380 0.000 1.147 594 D HN 0.284 nan 8.370 nan 0.000 0.478 595 T N 1.203 115.846 114.554 0.148 0.000 2.957 595 T HA 0.381 4.740 4.350 0.016 0.000 0.336 595 T C -2.666 172.071 174.700 0.063 0.000 1.462 595 T CA -1.103 61.055 62.100 0.098 0.000 1.073 595 T CB 1.120 70.048 68.868 0.100 0.000 1.319 595 T HN 0.302 nan 8.240 nan 0.000 0.485 596 P HA 0.416 nan 4.420 nan 0.000 0.271 596 P C -0.934 176.360 177.300 -0.010 0.000 1.238 596 P CA -0.194 62.910 63.100 0.005 0.000 0.794 596 P CB 0.211 31.891 31.700 -0.033 0.000 0.959 597 N N -1.937 116.752 118.700 -0.017 0.000 2.732 597 N HA 0.273 5.022 4.740 0.016 0.000 0.259 597 N C -1.067 174.392 175.510 -0.085 0.000 1.402 597 N CA -0.783 52.234 53.050 -0.054 0.000 0.829 597 N CB 0.684 39.224 38.487 0.088 0.000 1.495 597 N HN 0.097 nan 8.380 nan 0.000 0.511 598 D N -0.256 120.040 120.400 -0.173 0.000 2.559 598 D HA 0.131 4.780 4.640 0.016 0.000 0.234 598 D C 0.456 176.944 176.300 0.315 0.000 1.226 598 D CA -0.154 53.819 54.000 -0.045 0.000 0.830 598 D CB 0.088 40.726 40.800 -0.271 0.000 1.028 598 D HN 0.707 nan 8.370 nan 0.000 0.492 599 R N 0.847 121.537 120.500 0.318 0.000 3.657 599 R HA -0.320 4.029 4.340 0.016 0.000 0.533 599 R C 1.147 177.479 176.300 0.054 0.000 0.241 599 R CA 1.428 57.724 56.100 0.326 0.000 1.659 599 R CB -1.638 28.776 30.300 0.191 0.000 0.920 599 R HN 0.125 nan 8.270 nan 0.000 0.599 600 Q N 1.541 121.015 119.800 -0.542 0.000 2.541 600 Q HA -0.050 4.300 4.340 0.016 0.000 0.215 600 Q C 1.764 177.452 176.000 -0.520 0.000 0.977 600 Q CA 1.632 56.889 55.803 -0.910 0.000 0.934 600 Q CB -0.175 27.850 28.738 -1.188 0.000 0.988 600 Q HN 0.611 nan 8.270 nan 0.000 0.521 601 F N 1.552 121.398 119.950 -0.173 0.000 2.449 601 F HA -0.146 4.390 4.527 0.016 0.000 0.299 601 F C 2.259 177.970 175.800 -0.148 0.000 1.092 601 F CA 1.210 59.187 58.000 -0.038 0.000 1.446 601 F CB -0.193 38.864 39.000 0.095 0.000 1.084 601 F HN 0.414 nan 8.300 nan 0.000 0.567 602 C N -1.477 117.509 119.300 -0.523 0.000 2.618 602 C HA 0.255 4.724 4.460 0.016 0.000 0.264 602 C C 0.990 175.756 174.990 -0.373 0.000 1.334 602 C CA -0.545 57.982 59.018 -0.818 0.000 1.731 602 C CB -1.610 25.066 27.740 -1.774 0.000 1.852 602 C HN 0.171 nan 8.230 nan 0.000 0.566 603 M N 2.735 122.175 119.600 -0.267 0.000 2.055 603 M HA 0.291 4.781 4.480 0.016 0.000 0.346 603 M C -0.497 175.691 176.300 -0.186 0.000 1.074 603 M CA 0.347 55.534 55.300 -0.189 0.000 1.009 603 M CB 0.042 32.572 32.600 -0.117 0.000 1.423 603 M HN 0.354 nan 8.290 nan 0.000 0.410 604 N N 0.886 119.465 118.700 -0.202 0.000 2.307 604 N HA 0.199 4.949 4.740 0.016 0.000 0.248 604 N C 0.254 175.541 175.510 -0.373 0.000 1.322 604 N CA -0.524 52.370 53.050 -0.260 0.000 0.861 604 N CB 1.215 39.603 38.487 -0.164 0.000 1.303 604 N HN 0.660 nan 8.380 nan 0.000 0.498 605 G N -0.051 108.488 108.800 -0.436 0.000 2.504 605 G HA2 0.355 4.325 3.960 0.016 0.000 0.288 605 G HA3 0.355 4.325 3.960 0.016 0.000 0.288 605 G C 0.696 175.090 174.900 -0.843 0.000 1.182 605 G CA -0.548 44.192 45.100 -0.601 0.000 0.894 605 G HN 0.119 nan 8.290 nan 0.000 0.521 606 L N -0.028 120.714 121.223 -0.801 0.000 2.395 606 L HA 0.113 4.462 4.340 0.016 0.000 0.218 606 L C 0.946 177.189 176.870 -1.045 0.000 1.130 606 L CA 0.372 54.744 54.840 -0.780 0.000 0.826 606 L CB -0.277 41.482 42.059 -0.501 0.000 0.941 606 L HN 0.399 nan 8.230 nan 0.000 0.451 607 V N -4.944 114.260 119.914 -1.184 0.000 2.914 607 V HA 0.466 4.596 4.120 0.016 0.000 0.314 607 V C -0.287 175.397 176.094 -0.683 0.000 1.084 607 V CA -1.244 60.538 62.300 -0.864 0.000 0.963 607 V CB 1.658 33.022 31.823 -0.766 0.000 1.025 607 V HN -0.140 nan 8.190 nan 0.000 0.432 608 F N 1.718 121.625 119.950 -0.073 0.000 2.444 608 F HA 0.536 5.073 4.527 0.016 0.000 0.331 608 F C 1.945 177.701 175.800 -0.074 0.000 1.167 608 F CA 0.634 58.671 58.000 0.061 0.000 1.262 608 F CB 1.121 40.144 39.000 0.038 0.000 1.196 608 F HN 0.813 nan 8.300 nan 0.000 0.583 609 A N 1.123 124.044 122.820 0.169 0.000 1.997 609 A HA -0.267 4.062 4.320 0.016 0.000 0.221 609 A C 1.744 179.314 177.584 -0.024 0.000 1.172 609 A CA 2.086 54.168 52.037 0.075 0.000 0.645 609 A CB -0.928 18.139 19.000 0.112 0.000 0.813 609 A HN 0.822 nan 8.150 nan 0.000 0.454 610 D N -3.012 117.393 120.400 0.009 0.000 2.349 610 D HA 0.085 4.735 4.640 0.016 0.000 0.224 610 D C 0.682 176.982 176.300 -0.000 0.000 1.029 610 D CA 0.145 54.120 54.000 -0.042 0.000 0.879 610 D CB -0.137 40.636 40.800 -0.045 0.000 0.906 610 D HN 0.212 nan 8.370 nan 0.000 0.528 611 R N -1.760 118.749 120.500 0.016 0.000 3.854 611 R HA -0.112 4.237 4.340 0.016 0.000 0.430 611 R C -0.445 175.874 176.300 0.032 0.000 1.068 611 R CA 0.996 57.094 56.100 -0.002 0.000 1.104 611 R CB -3.169 27.159 30.300 0.048 0.000 1.729 611 R HN 0.234 nan 8.270 nan 0.000 0.533 612 T N 2.229 116.853 114.554 0.117 0.000 2.884 612 T HA 0.423 4.782 4.350 0.016 0.000 0.298 612 T C -2.304 172.558 174.700 0.270 0.000 0.998 612 T CA -0.973 61.228 62.100 0.170 0.000 1.124 612 T CB 1.250 70.196 68.868 0.131 0.000 0.931 612 T HN -0.090 nan 8.240 nan 0.000 0.531 613 P HA 0.263 nan 4.420 nan 0.000 0.279 613 P C -0.267 177.159 177.300 0.209 0.000 1.252 613 P CA -0.473 62.672 63.100 0.076 0.000 0.811 613 P CB 0.574 32.292 31.700 0.030 0.000 1.035 614 H N 1.335 120.269 119.070 -0.226 0.000 2.495 614 H HA 0.157 4.723 4.556 0.016 0.000 0.350 614 H C -1.332 173.924 175.328 -0.121 0.000 1.202 614 H CA -2.000 53.902 56.048 -0.242 0.000 1.322 614 H CB 0.430 29.995 29.762 -0.328 0.000 1.544 614 H HN 0.299 nan 8.280 nan 0.000 0.565 615 P HA -0.149 nan 4.420 nan 0.000 0.217 615 P C 1.250 178.558 177.300 0.013 0.000 1.150 615 P CA 1.417 64.520 63.100 0.005 0.000 0.832 615 P CB -0.058 31.637 31.700 -0.008 0.000 0.787 616 A N -0.328 122.502 122.820 0.018 0.000 2.032 616 A HA -0.198 4.132 4.320 0.016 0.000 0.221 616 A C 2.099 179.633 177.584 -0.085 0.000 1.165 616 A CA 1.387 53.394 52.037 -0.050 0.000 0.645 616 A CB -1.664 17.283 19.000 -0.088 0.000 0.807 616 A HN 0.173 nan 8.150 nan 0.000 0.453 617 L N -0.298 120.894 121.223 -0.051 0.000 2.079 617 L HA -0.128 4.222 4.340 0.016 0.000 0.210 617 L C 2.337 179.248 176.870 0.068 0.000 1.081 617 L CA 2.702 57.541 54.840 -0.001 0.000 0.752 617 L CB -0.810 41.246 42.059 -0.004 0.000 0.896 617 L HN 0.357 nan 8.230 nan 0.000 0.433 618 T N -1.414 113.188 114.554 0.080 0.000 2.985 618 T HA -0.114 4.246 4.350 0.016 0.000 0.266 618 T C 1.663 176.479 174.700 0.193 0.000 1.076 618 T CA 1.100 63.309 62.100 0.181 0.000 1.135 618 T CB 0.004 68.951 68.868 0.131 0.000 0.890 618 T HN 0.339 nan 8.240 nan 0.000 0.480 619 E N 1.773 122.019 120.200 0.076 0.000 2.072 619 E HA 0.001 4.361 4.350 0.016 0.000 0.191 619 E C 2.244 178.845 176.600 0.002 0.000 0.985 619 E CA 1.221 57.665 56.400 0.074 0.000 0.801 619 E CB -0.456 29.255 29.700 0.018 0.000 0.750 619 E HN 0.411 nan 8.360 nan 0.000 0.452 620 A N 1.061 123.768 122.820 -0.189 0.000 1.877 620 A HA -0.248 4.081 4.320 0.016 0.000 0.216 620 A C 2.186 179.637 177.584 -0.222 0.000 1.186 620 A CA 2.008 53.855 52.037 -0.317 0.000 0.620 620 A CB -0.675 18.164 19.000 -0.269 0.000 0.822 620 A HN 0.267 nan 8.150 nan 0.000 0.443 621 K N -1.357 119.001 120.400 -0.069 0.000 2.032 621 K HA -0.290 4.040 4.320 0.016 0.000 0.209 621 K C 2.070 178.574 176.600 -0.160 0.000 1.048 621 K CA 2.042 58.304 56.287 -0.041 0.000 0.927 621 K CB -0.338 32.292 32.500 0.215 0.000 0.712 621 K HN 0.668 nan 8.250 nan 0.000 0.441 622 H N 0.318 119.226 119.070 -0.270 0.000 2.357 622 H HA -0.035 4.530 4.556 0.016 0.000 0.301 622 H C 1.989 177.054 175.328 -0.439 0.000 1.082 622 H CA 1.787 57.484 56.048 -0.585 0.000 1.342 622 H CB 0.128 29.593 29.762 -0.495 0.000 1.389 622 H HN 0.237 nan 8.280 nan 0.000 0.511 623 Q N 0.239 119.813 119.800 -0.377 0.000 2.167 623 Q HA -0.097 4.252 4.340 0.016 0.000 0.202 623 Q C 1.579 177.067 176.000 -0.853 0.000 0.970 623 Q CA 1.256 56.777 55.803 -0.470 0.000 0.855 623 Q CB 0.008 28.660 28.738 -0.143 0.000 0.911 623 Q HN 0.708 nan 8.270 nan 0.000 0.438 624 Q N 0.380 119.615 119.800 -0.942 0.000 2.322 624 Q HA 0.071 4.421 4.340 0.016 0.000 0.203 624 Q C -0.060 175.427 176.000 -0.855 0.000 0.923 624 Q CA -0.197 54.915 55.803 -1.151 0.000 0.949 624 Q CB 0.286 28.372 28.738 -1.086 0.000 1.039 624 Q HN 0.373 nan 8.270 nan 0.000 0.496 625 Q N -0.559 118.867 119.800 -0.623 0.000 2.479 625 Q HA -0.024 4.326 4.340 0.016 0.000 0.267 625 Q C -0.061 175.585 176.000 -0.591 0.000 1.071 625 Q CA 0.393 55.951 55.803 -0.407 0.000 0.935 625 Q CB 0.431 29.010 28.738 -0.264 0.000 1.295 625 Q HN 0.307 nan 8.270 nan 0.000 0.476 626 F N -0.344 119.369 119.950 -0.396 0.000 2.727 626 F HA 0.226 4.762 4.527 0.015 0.000 0.302 626 F C -0.150 175.029 175.800 -1.035 0.000 1.097 626 F CA -0.001 57.495 58.000 -0.840 0.000 1.330 626 F CB 0.599 38.766 39.000 -1.389 0.000 1.084 626 F HN 0.291 nan 8.300 nan 0.000 0.578 627 F N 0.366 120.252 119.950 -0.107 0.000 2.540 627 F HA 0.486 5.023 4.527 0.017 0.000 0.317 627 F C -0.158 175.353 175.800 -0.482 0.000 1.104 627 F CA -1.118 56.714 58.000 -0.279 0.000 0.913 627 F CB 1.304 40.133 39.000 -0.285 0.000 1.170 627 F HN -0.321 nan 8.300 nan 0.000 0.450 628 Q N 2.826 122.400 119.800 -0.376 0.000 2.301 628 Q HA 0.601 4.950 4.340 0.016 0.000 0.267 628 Q C -1.408 174.306 176.000 -0.477 0.000 1.035 628 Q CA -0.691 54.940 55.803 -0.286 0.000 0.856 628 Q CB 2.992 31.673 28.738 -0.095 0.000 1.337 628 Q HN 0.569 nan 8.270 nan 0.000 0.450 629 F N 0.487 120.564 119.950 0.212 0.000 2.576 629 F HA 0.602 5.139 4.527 0.017 0.000 0.313 629 F C 0.132 176.149 175.800 0.361 0.000 1.078 629 F CA -1.000 57.190 58.000 0.318 0.000 0.921 629 F CB 1.740 41.058 39.000 0.530 0.000 1.232 629 F HN 0.117 nan 8.300 nan 0.000 0.459 630 R N 1.766 122.537 120.500 0.452 0.000 2.673 630 R HA 0.660 5.010 4.340 0.016 0.000 0.281 630 R C -1.880 174.451 176.300 0.052 0.000 0.991 630 R CA -1.115 55.164 56.100 0.299 0.000 0.896 630 R CB 2.134 32.528 30.300 0.156 0.000 1.201 630 R HN 0.643 nan 8.270 nan 0.000 0.457 631 L N 0.006 121.124 121.223 -0.175 0.000 2.341 631 L HA 0.680 5.029 4.340 0.016 0.000 0.278 631 L C -0.763 175.943 176.870 -0.274 0.000 1.005 631 L CA 0.141 54.675 54.840 -0.511 0.000 0.818 631 L CB 2.257 43.580 42.059 -1.227 0.000 1.259 631 L HN 0.524 nan 8.230 nan 0.000 0.418 632 S N 3.618 119.186 115.700 -0.219 0.000 2.620 632 S HA 0.701 5.180 4.470 0.016 0.000 0.244 632 S C 0.136 174.649 174.600 -0.145 0.000 1.192 632 S CA 0.217 58.334 58.200 -0.139 0.000 1.148 632 S CB 0.084 63.233 63.200 -0.084 0.000 1.106 632 S HN 1.518 nan 8.310 nan 0.000 0.474 633 G N 4.185 112.895 108.800 -0.149 0.000 2.523 633 G HA2 -0.310 3.660 3.960 0.016 0.000 0.271 633 G HA3 -0.310 3.660 3.960 0.016 0.000 0.271 633 G C 0.362 175.158 174.900 -0.173 0.000 1.146 633 G CA 0.548 45.568 45.100 -0.134 0.000 0.961 633 G HN 0.901 nan 8.290 nan 0.000 0.549 634 Q N -0.327 119.378 119.800 -0.160 0.000 2.246 634 Q HA 0.501 4.850 4.340 0.016 0.000 0.202 634 Q C 0.327 176.199 176.000 -0.214 0.000 0.883 634 Q CA 0.895 56.581 55.803 -0.196 0.000 0.952 634 Q CB 0.329 28.964 28.738 -0.171 0.000 1.078 634 Q HN 0.435 nan 8.270 nan 0.000 0.493 635 T N 1.326 115.764 114.554 -0.193 0.000 2.779 635 T HA 0.548 4.907 4.350 0.016 0.000 0.280 635 T C -0.585 173.999 174.700 -0.195 0.000 0.987 635 T CA -0.505 61.494 62.100 -0.168 0.000 0.966 635 T CB 1.035 69.836 68.868 -0.113 0.000 0.933 635 T HN 0.192 nan 8.240 nan 0.000 0.442 636 I N 2.819 123.292 120.570 -0.162 0.000 2.354 636 I HA 0.337 4.516 4.170 0.016 0.000 0.292 636 I C 0.396 176.516 176.117 0.004 0.000 0.989 636 I CA -0.609 60.624 61.300 -0.112 0.000 1.188 636 I CB 1.415 39.371 38.000 -0.074 0.000 1.342 636 I HN 0.552 nan 8.210 nan 0.000 0.457 637 E N 6.910 127.139 120.200 0.048 0.000 2.151 637 E HA 0.478 4.837 4.350 0.016 0.000 0.275 637 E C -1.600 175.068 176.600 0.113 0.000 0.936 637 E CA -0.600 55.837 56.400 0.061 0.000 0.777 637 E CB 1.652 31.374 29.700 0.038 0.000 1.108 637 E HN 0.356 nan 8.360 nan 0.000 0.401 638 V N 3.755 123.711 119.914 0.069 0.000 2.435 638 V HA 0.392 4.521 4.120 0.016 0.000 0.290 638 V C -0.014 176.064 176.094 -0.028 0.000 1.030 638 V CA -0.645 61.638 62.300 -0.027 0.000 0.881 638 V CB 1.747 33.566 31.823 -0.006 0.000 0.983 638 V HN 0.720 nan 8.190 nan 0.000 0.445 639 T N 2.711 117.216 114.554 -0.083 0.000 2.841 639 T HA 0.371 4.730 4.350 0.016 0.000 0.283 639 T C -0.172 174.526 174.700 -0.004 0.000 1.000 639 T CA -0.339 61.744 62.100 -0.027 0.000 0.977 639 T CB 1.664 70.505 68.868 -0.045 0.000 0.979 639 T HN 0.710 nan 8.240 nan 0.000 0.446 640 S N 1.560 117.275 115.700 0.026 0.000 2.475 640 S HA 0.215 4.695 4.470 0.016 0.000 0.281 640 S C 0.765 175.276 174.600 -0.149 0.000 1.198 640 S CA -0.527 57.655 58.200 -0.029 0.000 1.063 640 S CB 0.517 63.769 63.200 0.088 0.000 0.972 640 S HN 0.713 nan 8.310 nan 0.000 0.486 641 E N 3.261 123.270 120.200 -0.319 0.000 2.463 641 E HA 0.083 4.442 4.350 0.016 0.000 0.193 641 E C -0.697 175.747 176.600 -0.260 0.000 1.041 641 E CA -0.081 56.149 56.400 -0.283 0.000 0.879 641 E CB 0.276 29.765 29.700 -0.351 0.000 0.997 641 E HN 0.700 nan 8.360 nan 0.000 0.478 642 Y N 0.182 120.394 120.300 -0.146 0.000 2.379 642 Y HA 0.011 4.570 4.550 0.016 0.000 0.337 642 Y C 1.432 177.194 175.900 -0.231 0.000 1.238 642 Y CA 0.053 58.069 58.100 -0.140 0.000 1.405 642 Y CB 0.777 39.134 38.460 -0.172 0.000 1.310 642 Y HN -0.055 nan 8.280 nan 0.000 0.569 643 L N 0.763 121.850 121.223 -0.225 0.000 2.408 643 L HA 0.067 4.416 4.340 0.016 0.000 0.215 643 L C 0.687 177.166 176.870 -0.653 0.000 1.081 643 L CA 0.612 55.069 54.840 -0.637 0.000 0.840 643 L CB 0.042 41.258 42.059 -1.405 0.000 1.002 643 L HN 0.644 nan 8.230 nan 0.000 0.468 644 F N -0.395 119.584 119.950 0.049 0.000 2.699 644 F HA 0.213 4.749 4.527 0.014 0.000 0.295 644 F C 1.223 177.013 175.800 -0.017 0.000 1.052 644 F CA -0.754 57.243 58.000 -0.006 0.000 1.239 644 F CB 0.357 39.331 39.000 -0.044 0.000 1.018 644 F HN -0.128 nan 8.300 nan 0.000 0.627 645 R N -0.075 120.475 120.500 0.084 0.000 2.720 645 R HA 0.487 4.837 4.340 0.016 0.000 0.272 645 R C -1.089 175.210 176.300 -0.001 0.000 0.991 645 R CA -0.765 55.331 56.100 -0.006 0.000 1.010 645 R CB 0.945 31.140 30.300 -0.174 0.000 1.141 645 R HN 0.062 nan 8.270 nan 0.000 0.494 646 H N 0.217 119.267 119.070 -0.034 0.000 2.551 646 H HA 0.105 4.670 4.556 0.016 0.000 0.358 646 H C 0.043 175.370 175.328 -0.000 0.000 1.151 646 H CA -0.036 56.019 56.048 0.011 0.000 1.374 646 H CB 1.225 30.999 29.762 0.020 0.000 1.473 646 H HN 0.752 nan 8.280 nan 0.000 0.574 647 S N 2.205 117.808 115.700 -0.162 0.000 4.085 647 S HA -0.043 4.437 4.470 0.016 0.000 0.189 647 S C 0.134 174.850 174.600 0.193 0.000 1.392 647 S CA -0.243 57.998 58.200 0.069 0.000 0.972 647 S CB -0.808 62.445 63.200 0.088 0.000 1.482 647 S HN 0.731 nan 8.310 nan 0.000 0.446 648 D N 0.627 121.159 120.400 0.220 0.000 2.338 648 D HA -0.003 4.646 4.640 0.016 0.000 0.239 648 D C 0.369 176.720 176.300 0.087 0.000 1.095 648 D CA -0.040 54.058 54.000 0.164 0.000 0.888 648 D CB -0.398 40.465 40.800 0.106 0.000 0.899 648 D HN 0.501 nan 8.370 nan 0.000 0.525 649 N N -0.017 118.734 118.700 0.085 0.000 2.620 649 N HA 0.152 4.902 4.740 0.016 0.000 0.277 649 N C -1.582 173.980 175.510 0.086 0.000 1.726 649 N CA -0.235 52.856 53.050 0.068 0.000 0.840 649 N CB 0.282 38.801 38.487 0.053 0.000 1.379 649 N HN -0.040 nan 8.380 nan 0.000 0.506 650 E N -0.223 120.017 120.200 0.067 0.000 2.352 650 E HA 0.557 4.916 4.350 0.016 0.000 0.280 650 E C -1.552 175.043 176.600 -0.007 0.000 0.930 650 E CA -0.756 55.668 56.400 0.040 0.000 0.765 650 E CB 2.043 31.736 29.700 -0.012 0.000 1.219 650 E HN 0.262 nan 8.360 nan 0.000 0.434 651 L N -0.196 121.009 121.223 -0.030 0.000 2.393 651 L HA 0.748 5.097 4.340 0.016 0.000 0.260 651 L C -1.749 175.050 176.870 -0.119 0.000 1.002 651 L CA -0.955 53.830 54.840 -0.092 0.000 0.818 651 L CB 1.224 43.202 42.059 -0.135 0.000 1.369 651 L HN 0.516 nan 8.230 nan 0.000 0.412 652 L N 2.184 123.342 121.223 -0.108 0.000 2.287 652 L HA 0.610 4.959 4.340 0.016 0.000 0.287 652 L C -0.854 175.986 176.870 -0.049 0.000 1.022 652 L CA 0.256 55.096 54.840 -0.001 0.000 0.814 652 L CB 0.644 42.777 42.059 0.122 0.000 1.217 652 L HN 0.745 nan 8.230 nan 0.000 0.420 653 H N 4.504 123.666 119.070 0.154 0.000 2.472 653 H HA 0.650 5.216 4.556 0.016 0.000 0.338 653 H C -1.123 174.318 175.328 0.189 0.000 1.133 653 H CA -0.184 55.916 56.048 0.086 0.000 1.216 653 H CB 1.169 30.930 29.762 -0.001 0.000 1.497 653 H HN 0.635 nan 8.280 nan 0.000 0.500 654 W N 3.931 125.346 121.300 0.192 0.000 3.256 654 W HA 0.527 5.197 4.660 0.016 0.000 0.324 654 W C -1.922 174.667 176.519 0.117 0.000 1.196 654 W CA -1.269 56.162 57.345 0.143 0.000 1.206 654 W CB 1.208 30.735 29.460 0.112 0.000 1.385 654 W HN 0.579 nan 8.180 nan 0.000 0.522 655 M N 2.541 122.316 119.600 0.291 0.000 2.484 655 M HA 0.741 5.230 4.480 0.016 0.000 0.289 655 M C -2.280 174.233 176.300 0.355 0.000 1.206 655 M CA -0.939 54.444 55.300 0.137 0.000 0.892 655 M CB 1.928 34.498 32.600 -0.050 0.000 1.712 655 M HN 0.145 nan 8.290 nan 0.000 0.462 656 V N 1.976 122.082 119.914 0.320 0.000 2.495 656 V HA 0.942 5.071 4.120 0.016 0.000 0.298 656 V C -0.293 175.916 176.094 0.192 0.000 1.031 656 V CA -0.404 62.075 62.300 0.297 0.000 0.871 656 V CB 1.486 33.499 31.823 0.315 0.000 0.988 656 V HN 1.072 nan 8.190 nan 0.000 0.432 657 A N 4.334 127.277 122.820 0.205 0.000 2.475 657 A HA 0.898 5.228 4.320 0.016 0.000 0.301 657 A C -1.466 176.239 177.584 0.202 0.000 1.059 657 A CA -0.619 51.503 52.037 0.142 0.000 0.710 657 A CB 1.754 20.791 19.000 0.061 0.000 1.288 657 A HN 0.893 nan 8.150 nan 0.000 0.408 658 L N 1.421 122.730 121.223 0.143 0.000 2.276 658 L HA 0.543 4.892 4.340 0.016 0.000 0.286 658 L C -0.673 176.292 176.870 0.158 0.000 1.024 658 L CA 0.173 55.112 54.840 0.165 0.000 0.826 658 L CB 0.468 42.591 42.059 0.107 0.000 1.211 658 L HN 0.749 nan 8.230 nan 0.000 0.422 659 D N 4.708 125.268 120.400 0.267 0.000 2.704 659 D HA -0.210 4.440 4.640 0.016 0.000 0.232 659 D C 1.167 177.473 176.300 0.010 0.000 1.183 659 D CA 1.484 55.614 54.000 0.217 0.000 0.647 659 D CB -1.153 39.760 40.800 0.190 0.000 1.013 659 D HN 1.195 nan 8.370 nan 0.000 0.415 660 G N -0.655 108.095 108.800 -0.084 0.000 2.253 660 G HA2 -0.375 3.595 3.960 0.016 0.000 0.251 660 G HA3 -0.375 3.595 3.960 0.016 0.000 0.251 660 G C 0.212 175.013 174.900 -0.164 0.000 0.998 660 G CA 0.489 45.432 45.100 -0.261 0.000 0.621 660 G HN 0.520 nan 8.290 nan 0.000 0.524 661 K N 2.175 122.537 120.400 -0.062 0.000 2.284 661 K HA 0.455 4.784 4.320 0.016 0.000 0.287 661 K C -2.620 173.968 176.600 -0.021 0.000 1.081 661 K CA -1.831 54.429 56.287 -0.045 0.000 0.910 661 K CB 1.399 33.890 32.500 -0.015 0.000 1.088 661 K HN 0.098 nan 8.250 nan 0.000 0.478 662 P HA -0.088 nan 4.420 nan 0.000 0.262 662 P C 0.002 177.301 177.300 -0.001 0.000 1.182 662 P CA 0.098 63.179 63.100 -0.033 0.000 0.761 662 P CB 0.698 32.358 31.700 -0.068 0.000 0.795 663 L N 1.427 122.668 121.223 0.029 0.000 2.663 663 L HA 0.472 4.821 4.340 0.016 0.000 0.218 663 L C 0.706 177.611 176.870 0.058 0.000 1.043 663 L CA 0.669 55.540 54.840 0.051 0.000 0.876 663 L CB 0.387 42.500 42.059 0.090 0.000 1.263 663 L HN 0.440 nan 8.230 nan 0.000 0.486 664 A N -0.722 122.142 122.820 0.073 0.000 2.581 664 A HA 0.699 5.029 4.320 0.016 0.000 0.290 664 A C -1.062 176.430 177.584 -0.153 0.000 1.119 664 A CA 0.340 52.412 52.037 0.058 0.000 0.670 664 A CB 1.655 20.811 19.000 0.260 0.000 1.280 664 A HN 0.207 nan 8.150 nan 0.000 0.425 665 S N -1.708 113.626 115.700 -0.610 0.000 2.688 665 S HA 0.819 5.298 4.470 0.016 0.000 0.269 665 S C -0.353 173.315 174.600 -1.553 0.000 1.060 665 S CA 0.106 57.444 58.200 -1.437 0.000 0.844 665 S CB 0.464 63.270 63.200 -0.657 0.000 1.095 665 S HN 2.754 nan 8.310 nan 0.000 0.466 666 G N 0.033 107.741 108.800 -1.820 0.000 2.430 666 G HA2 0.627 4.597 3.960 0.016 0.000 0.300 666 G HA3 0.627 4.597 3.960 0.016 0.000 0.300 666 G C -2.334 172.287 174.900 -0.465 0.000 1.330 666 G CA -0.505 44.141 45.100 -0.757 0.000 0.813 666 G HN 1.098 nan 8.290 nan 0.000 0.487 667 E N -1.493 118.685 120.200 -0.037 0.000 2.343 667 E HA 0.752 5.111 4.350 0.016 0.000 0.270 667 E C -1.311 175.345 176.600 0.094 0.000 0.895 667 E CA -1.132 55.259 56.400 -0.014 0.000 0.767 667 E CB 3.105 32.681 29.700 -0.207 0.000 1.248 667 E HN 0.460 nan 8.360 nan 0.000 0.440 668 V N 1.546 121.496 119.914 0.059 0.000 2.777 668 V HA 0.434 4.563 4.120 0.016 0.000 0.306 668 V C -2.508 173.590 176.094 0.007 0.000 1.112 668 V CA -1.944 60.397 62.300 0.068 0.000 0.917 668 V CB 2.046 33.939 31.823 0.115 0.000 1.018 668 V HN 0.674 nan 8.190 nan 0.000 0.426 669 P HA 0.360 nan 4.420 nan 0.000 0.275 669 P C -0.873 176.434 177.300 0.012 0.000 1.228 669 P CA -0.227 62.875 63.100 0.002 0.000 0.786 669 P CB 0.905 32.618 31.700 0.022 0.000 0.927 670 L N 2.502 123.722 121.223 -0.004 0.000 2.289 670 L HA 0.349 4.699 4.340 0.016 0.000 0.285 670 L C 0.295 177.184 176.870 0.033 0.000 1.049 670 L CA -0.019 54.810 54.840 -0.018 0.000 0.804 670 L CB 0.970 42.960 42.059 -0.115 0.000 1.195 670 L HN 0.332 nan 8.230 nan 0.000 0.428 671 D N 3.480 123.907 120.400 0.046 0.000 2.468 671 D HA 0.282 4.931 4.640 0.016 0.000 0.272 671 D C -1.385 174.902 176.300 -0.023 0.000 1.221 671 D CA -0.098 53.987 54.000 0.141 0.000 0.860 671 D CB 1.249 42.159 40.800 0.184 0.000 1.190 671 D HN 0.120 nan 8.370 nan 0.000 0.509 672 V N 1.567 121.310 119.914 -0.285 0.000 2.656 672 V HA 0.901 5.031 4.120 0.016 0.000 0.307 672 V C -0.305 175.532 176.094 -0.429 0.000 1.051 672 V CA -0.463 61.712 62.300 -0.208 0.000 0.893 672 V CB 1.467 33.281 31.823 -0.015 0.000 0.999 672 V HN 0.489 nan 8.190 nan 0.000 0.426 673 A N 8.142 130.854 122.820 -0.180 0.000 2.313 673 A HA 0.761 5.090 4.320 0.016 0.000 0.261 673 A C -2.456 175.119 177.584 -0.016 0.000 1.090 673 A CA -1.548 50.451 52.037 -0.063 0.000 0.807 673 A CB 0.029 19.088 19.000 0.098 0.000 1.055 673 A HN 0.792 nan 8.150 nan 0.000 0.492 674 P HA 0.003 nan 4.420 nan 0.000 0.261 674 P C -0.568 176.724 177.300 -0.014 0.000 1.183 674 P CA 0.716 63.826 63.100 0.017 0.000 0.761 674 P CB 0.677 32.370 31.700 -0.011 0.000 0.785 675 Q N -0.828 118.956 119.800 -0.027 0.000 2.324 675 Q HA -0.149 4.200 4.340 0.016 0.000 0.200 675 Q C 0.756 176.744 176.000 -0.019 0.000 0.645 675 Q CA 1.806 57.584 55.803 -0.042 0.000 1.377 675 Q CB -2.528 26.178 28.738 -0.053 0.000 1.486 675 Q HN 0.752 nan 8.270 nan 0.000 0.796 676 G N 0.080 108.879 108.800 -0.001 0.000 2.532 676 G HA2 0.578 4.547 3.960 0.016 0.000 0.291 676 G HA3 0.578 4.547 3.960 0.016 0.000 0.291 676 G C -0.135 174.772 174.900 0.012 0.000 1.349 676 G CA -0.544 44.561 45.100 0.007 0.000 1.038 676 G HN -0.024 nan 8.290 nan 0.000 0.518 677 K N -0.734 119.675 120.400 0.015 0.000 2.400 677 K HA 0.516 4.845 4.320 0.016 0.000 0.246 677 K C -1.099 175.515 176.600 0.023 0.000 0.995 677 K CA -0.676 55.622 56.287 0.018 0.000 0.840 677 K CB 2.595 35.102 32.500 0.012 0.000 1.293 677 K HN 0.540 nan 8.250 nan 0.000 0.445 678 Q N 1.772 121.587 119.800 0.025 0.000 2.309 678 Q HA 0.405 4.755 4.340 0.016 0.000 0.273 678 Q C -1.757 174.259 176.000 0.026 0.000 1.040 678 Q CA -0.590 55.229 55.803 0.027 0.000 0.834 678 Q CB 1.695 30.450 28.738 0.030 0.000 1.345 678 Q HN 0.513 nan 8.270 nan 0.000 0.414 679 L N 4.779 126.011 121.223 0.016 0.000 2.307 679 L HA 0.606 4.955 4.340 0.016 0.000 0.284 679 L C -0.692 176.176 176.870 -0.004 0.000 1.023 679 L CA -0.836 54.006 54.840 0.003 0.000 0.810 679 L CB 1.458 43.511 42.059 -0.009 0.000 1.231 679 L HN 0.608 nan 8.230 nan 0.000 0.423 680 I N 3.173 123.731 120.570 -0.019 0.000 2.447 680 I HA 0.211 4.390 4.170 0.016 0.000 0.287 680 I C -0.431 175.628 176.117 -0.097 0.000 1.023 680 I CA -0.487 60.789 61.300 -0.040 0.000 1.083 680 I CB 2.025 40.013 38.000 -0.020 0.000 1.245 680 I HN 0.511 nan 8.210 nan 0.000 0.434 681 E N 7.441 127.581 120.200 -0.100 0.000 2.109 681 E HA 0.362 4.721 4.350 0.016 0.000 0.278 681 E C -0.575 175.915 176.600 -0.184 0.000 0.954 681 E CA -0.644 55.676 56.400 -0.133 0.000 0.779 681 E CB 1.910 31.555 29.700 -0.091 0.000 1.093 681 E HN 0.470 nan 8.360 nan 0.000 0.401 682 L N 4.112 125.164 121.223 -0.284 0.000 2.467 682 L HA 0.159 4.509 4.340 0.016 0.000 0.270 682 L C -1.837 174.863 176.870 -0.283 0.000 1.205 682 L CA -1.340 53.232 54.840 -0.446 0.000 0.828 682 L CB 0.332 42.047 42.059 -0.574 0.000 1.101 682 L HN 0.213 nan 8.230 nan 0.000 0.479 683 P HA -0.008 nan 4.420 nan 0.000 0.271 683 P C -0.478 176.775 177.300 -0.078 0.000 1.233 683 P CA -0.270 62.786 63.100 -0.073 0.000 0.789 683 P CB 0.442 32.178 31.700 0.060 0.000 0.951 684 E N 1.004 121.185 120.200 -0.031 0.000 2.366 684 E HA 0.109 4.468 4.350 0.016 0.000 0.266 684 E C -0.721 175.883 176.600 0.007 0.000 1.015 684 E CA -0.145 56.240 56.400 -0.026 0.000 0.906 684 E CB 0.107 29.799 29.700 -0.014 0.000 0.979 684 E HN 0.245 nan 8.360 nan 0.000 0.443 685 L N 6.568 127.792 121.223 0.002 0.000 2.309 685 L HA 0.427 4.776 4.340 0.016 0.000 0.282 685 L C -2.001 174.891 176.870 0.036 0.000 1.036 685 L CA -2.020 52.846 54.840 0.045 0.000 0.806 685 L CB 0.766 42.867 42.059 0.071 0.000 1.220 685 L HN 0.414 nan 8.230 nan 0.000 0.429 686 P HA 0.076 nan 4.420 nan 0.000 0.271 686 P C -1.257 176.063 177.300 0.033 0.000 1.233 686 P CA -0.450 62.672 63.100 0.036 0.000 0.789 686 P CB 0.326 32.050 31.700 0.040 0.000 0.951 687 Q N 1.641 121.456 119.800 0.024 0.000 2.279 687 Q HA 0.382 4.731 4.340 0.016 0.000 0.256 687 Q C -2.087 173.928 176.000 0.024 0.000 0.937 687 Q CA -1.545 54.270 55.803 0.021 0.000 0.933 687 Q CB 0.152 28.898 28.738 0.014 0.000 1.189 687 Q HN 0.375 nan 8.270 nan 0.000 0.417 688 P HA 0.343 nan 4.420 nan 0.000 0.253 688 P C -0.736 176.579 177.300 0.025 0.000 1.599 688 P CA -0.543 62.574 63.100 0.029 0.000 1.189 688 P CB 0.886 32.609 31.700 0.039 0.000 1.347 689 E N -0.080 120.132 120.200 0.021 0.000 2.516 689 E HA -0.008 4.352 4.350 0.016 0.000 0.199 689 E C 0.813 177.426 176.600 0.022 0.000 1.069 689 E CA 0.155 56.566 56.400 0.018 0.000 0.876 689 E CB 0.056 29.765 29.700 0.015 0.000 0.843 689 E HN 0.280 nan 8.360 nan 0.000 0.530 690 S N 1.084 116.799 115.700 0.026 0.000 2.510 690 S HA 0.385 4.864 4.470 0.016 0.000 0.279 690 S C 0.356 174.978 174.600 0.036 0.000 1.284 690 S CA -0.560 57.658 58.200 0.031 0.000 1.059 690 S CB 0.344 63.562 63.200 0.031 0.000 0.901 690 S HN 0.309 nan 8.310 nan 0.000 0.491 691 A N 4.040 126.883 122.820 0.038 0.000 2.555 691 A HA 0.557 4.887 4.320 0.016 0.000 0.233 691 A C 1.051 178.669 177.584 0.056 0.000 1.060 691 A CA 0.532 52.595 52.037 0.043 0.000 0.759 691 A CB -0.857 18.170 19.000 0.044 0.000 0.995 691 A HN 2.008 nan 8.150 nan 0.000 0.506 692 G N -0.242 108.592 108.800 0.057 0.000 2.351 692 G HA2 0.464 4.434 3.960 0.016 0.000 0.353 692 G HA3 0.464 4.434 3.960 0.016 0.000 0.353 692 G C -1.105 173.833 174.900 0.063 0.000 1.358 692 G CA -0.103 45.046 45.100 0.082 0.000 0.995 692 G HN 1.307 nan 8.290 nan 0.000 0.611 693 Q N -0.297 119.562 119.800 0.098 0.000 2.307 693 Q HA 0.751 5.101 4.340 0.016 0.000 0.262 693 Q C -0.461 175.590 176.000 0.085 0.000 0.961 693 Q CA -0.620 55.191 55.803 0.013 0.000 0.882 693 Q CB 1.380 30.100 28.738 -0.030 0.000 1.264 693 Q HN 0.615 nan 8.270 nan 0.000 0.446 694 L N 4.091 125.299 121.223 -0.026 0.000 2.350 694 L HA 0.534 4.884 4.340 0.016 0.000 0.275 694 L C -0.868 175.996 176.870 -0.010 0.000 1.099 694 L CA -0.418 54.464 54.840 0.071 0.000 0.808 694 L CB 0.786 42.868 42.059 0.038 0.000 1.149 694 L HN 0.707 nan 8.230 nan 0.000 0.442 695 W N 3.899 125.269 121.300 0.118 0.000 2.915 695 W HA 0.531 5.200 4.660 0.015 0.000 0.337 695 W C -0.923 175.710 176.519 0.189 0.000 1.102 695 W CA -0.501 56.936 57.345 0.153 0.000 1.224 695 W CB 1.733 31.305 29.460 0.187 0.000 1.416 695 W HN 0.103 nan 8.180 nan 0.000 0.503 696 L N 2.627 124.146 121.223 0.494 0.000 2.329 696 L HA 0.877 5.226 4.340 0.016 0.000 0.279 696 L C -0.445 176.740 176.870 0.526 0.000 1.014 696 L CA 0.121 55.239 54.840 0.462 0.000 0.814 696 L CB 1.733 44.029 42.059 0.395 0.000 1.257 696 L HN 0.346 nan 8.230 nan 0.000 0.424 697 T N 4.599 119.411 114.554 0.430 0.000 2.886 697 T HA 0.678 5.037 4.350 0.016 0.000 0.292 697 T C -0.910 174.001 174.700 0.352 0.000 1.012 697 T CA -0.431 61.877 62.100 0.346 0.000 0.982 697 T CB 1.626 70.627 68.868 0.222 0.000 1.018 697 T HN 0.675 nan 8.240 nan 0.000 0.451 698 V N 1.289 121.378 119.914 0.292 0.000 2.735 698 V HA 0.915 5.045 4.120 0.016 0.000 0.310 698 V C -0.928 175.276 176.094 0.183 0.000 1.061 698 V CA -1.329 61.118 62.300 0.245 0.000 0.913 698 V CB 1.915 33.850 31.823 0.186 0.000 1.005 698 V HN 0.988 nan 8.190 nan 0.000 0.428 699 R N 2.377 123.020 120.500 0.239 0.000 2.673 699 R HA 0.851 5.201 4.340 0.016 0.000 0.281 699 R C -1.834 174.644 176.300 0.296 0.000 0.991 699 R CA -0.875 55.398 56.100 0.289 0.000 0.896 699 R CB 2.216 32.669 30.300 0.256 0.000 1.201 699 R HN 0.505 nan 8.270 nan 0.000 0.457 700 V N 2.821 122.924 119.914 0.315 0.000 2.370 700 V HA 0.309 4.438 4.120 0.016 0.000 0.279 700 V C -0.156 176.090 176.094 0.254 0.000 1.029 700 V CA -0.650 61.791 62.300 0.235 0.000 0.870 700 V CB 1.537 33.475 31.823 0.192 0.000 0.984 700 V HN 0.525 nan 8.190 nan 0.000 0.451 701 V N 5.201 125.250 119.914 0.225 0.000 2.581 701 V HA 0.423 4.553 4.120 0.016 0.000 0.303 701 V C -0.169 176.034 176.094 0.182 0.000 1.041 701 V CA -0.730 61.709 62.300 0.232 0.000 0.907 701 V CB 1.892 33.933 31.823 0.365 0.000 0.994 701 V HN 0.872 nan 8.190 nan 0.000 0.442 702 Q N 5.396 125.311 119.800 0.191 0.000 2.398 702 Q HA 0.290 4.640 4.340 0.016 0.000 0.251 702 Q C -1.763 174.300 176.000 0.104 0.000 0.999 702 Q CA -1.798 54.096 55.803 0.151 0.000 0.874 702 Q CB 2.134 30.976 28.738 0.172 0.000 1.215 702 Q HN 0.488 nan 8.270 nan 0.000 0.470 703 P HA -0.142 nan 4.420 nan 0.000 0.219 703 P C -0.527 176.791 177.300 0.030 0.000 1.150 703 P CA 1.014 64.151 63.100 0.062 0.000 0.814 703 P CB 0.407 32.140 31.700 0.054 0.000 0.787 704 N N -0.380 118.325 118.700 0.010 0.000 2.443 704 N HA 0.446 5.195 4.740 0.016 0.000 0.295 704 N C -0.294 175.176 175.510 -0.066 0.000 1.076 704 N CA -0.703 52.334 53.050 -0.020 0.000 0.919 704 N CB 1.078 39.551 38.487 -0.024 0.000 1.176 704 N HN -0.048 nan 8.380 nan 0.000 0.487 705 A N 0.895 123.668 122.820 -0.079 0.000 2.466 705 A HA 0.384 4.714 4.320 0.016 0.000 0.238 705 A C 0.615 178.080 177.584 -0.197 0.000 1.074 705 A CA 0.057 52.010 52.037 -0.140 0.000 0.774 705 A CB -0.073 18.870 19.000 -0.095 0.000 1.015 705 A HN 0.705 nan 8.150 nan 0.000 0.498 706 T N -2.593 111.755 114.554 -0.344 0.000 2.773 706 T HA 0.637 4.997 4.350 0.016 0.000 0.278 706 T C 0.919 175.431 174.700 -0.313 0.000 1.011 706 T CA 0.010 61.872 62.100 -0.397 0.000 1.014 706 T CB 1.235 69.599 68.868 -0.840 0.000 1.293 706 T HN 1.341 nan 8.240 nan 0.000 0.554 707 A N -0.106 122.615 122.820 -0.164 0.000 2.119 707 A HA 0.139 4.468 4.320 0.016 0.000 0.217 707 A C 1.540 179.230 177.584 0.178 0.000 1.153 707 A CA 0.789 52.851 52.037 0.042 0.000 0.692 707 A CB -0.824 18.246 19.000 0.116 0.000 0.799 707 A HN 0.906 nan 8.150 nan 0.000 0.458 708 W N -0.618 120.745 121.300 0.105 0.000 2.702 708 W HA 0.440 5.110 4.660 0.017 0.000 0.369 708 W C -0.251 176.242 176.519 -0.045 0.000 0.987 708 W CA 0.392 57.771 57.345 0.057 0.000 1.702 708 W CB -1.063 28.422 29.460 0.042 0.000 1.138 708 W HN 0.396 nan 8.180 nan 0.000 0.552 709 S N -0.273 115.051 115.700 -0.627 0.000 2.570 709 S HA 0.417 4.896 4.470 0.016 0.000 0.270 709 S C -0.938 173.459 174.600 -0.338 0.000 1.149 709 S CA -0.767 57.099 58.200 -0.558 0.000 0.837 709 S CB 2.665 65.159 63.200 -1.177 0.000 1.124 709 S HN 0.118 nan 8.310 nan 0.000 0.465 710 E N 0.538 120.651 120.200 -0.145 0.000 2.345 710 E HA 0.566 4.926 4.350 0.016 0.000 0.259 710 E C 0.344 176.924 176.600 -0.033 0.000 1.117 710 E CA -0.698 55.666 56.400 -0.059 0.000 0.913 710 E CB 1.061 30.772 29.700 0.020 0.000 1.057 710 E HN 0.860 nan 8.360 nan 0.000 0.432 711 A N 0.558 123.365 122.820 -0.021 0.000 2.483 711 A HA 0.390 4.719 4.320 0.016 0.000 0.238 711 A C 1.143 178.755 177.584 0.047 0.000 1.070 711 A CA 0.722 52.760 52.037 0.003 0.000 0.770 711 A CB -0.346 18.654 19.000 0.000 0.000 1.008 711 A HN 0.801 nan 8.150 nan 0.000 0.497 712 G N 0.216 109.060 108.800 0.073 0.000 2.199 712 G HA2 -0.259 3.710 3.960 0.016 0.000 0.254 712 G HA3 -0.259 3.710 3.960 0.016 0.000 0.254 712 G C 0.315 175.283 174.900 0.113 0.000 0.982 712 G CA 0.747 45.897 45.100 0.083 0.000 0.632 712 G HN 1.734 nan 8.290 nan 0.000 0.529 713 H N 0.761 119.861 119.070 0.049 0.000 3.115 713 H HA 0.373 4.938 4.556 0.016 0.000 0.324 713 H C 0.721 176.147 175.328 0.164 0.000 1.007 713 H CA 0.734 56.837 56.048 0.092 0.000 1.385 713 H CB 0.131 29.929 29.762 0.060 0.000 1.351 713 H HN 0.337 nan 8.280 nan 0.000 0.592 714 I N 4.279 124.593 120.570 -0.426 0.000 2.336 714 I HA 0.072 4.251 4.170 0.016 0.000 0.292 714 I C 0.736 176.760 176.117 -0.155 0.000 0.991 714 I CA -0.054 61.171 61.300 -0.125 0.000 1.227 714 I CB 1.661 39.653 38.000 -0.013 0.000 1.366 714 I HN 0.766 nan 8.210 nan 0.000 0.466 715 S N 3.922 119.750 115.700 0.214 0.000 2.540 715 S HA 0.609 5.088 4.470 0.016 0.000 0.222 715 S C 0.315 175.191 174.600 0.461 0.000 1.008 715 S CA -0.153 58.297 58.200 0.416 0.000 0.939 715 S CB 0.666 64.223 63.200 0.596 0.000 0.865 715 S HN 0.714 nan 8.310 nan 0.000 0.499 716 A N 0.682 123.800 122.820 0.497 0.000 2.594 716 A HA 0.641 4.971 4.320 0.016 0.000 0.296 716 A C -1.724 176.180 177.584 0.532 0.000 1.056 716 A CA -0.904 51.376 52.037 0.405 0.000 0.693 716 A CB 0.374 19.694 19.000 0.534 0.000 1.278 716 A HN 0.895 nan 8.150 nan 0.000 0.408 717 W N 0.335 121.803 121.300 0.279 0.000 3.075 717 W HA 0.847 5.517 4.660 0.017 0.000 0.334 717 W C -1.114 175.439 176.519 0.056 0.000 1.243 717 W CA -0.716 56.691 57.345 0.104 0.000 1.170 717 W CB 1.330 30.825 29.460 0.058 0.000 1.452 717 W HN 0.985 nan 8.180 nan 0.000 0.572 718 Q N 1.139 120.949 119.800 0.016 0.000 2.545 718 Q HA 0.390 4.740 4.340 0.016 0.000 0.273 718 Q C -1.701 174.078 176.000 -0.368 0.000 0.975 718 Q CA -0.448 55.188 55.803 -0.279 0.000 0.876 718 Q CB 2.347 30.665 28.738 -0.700 0.000 1.472 718 Q HN 0.658 nan 8.270 nan 0.000 0.389 719 Q N 1.435 120.950 119.800 -0.475 0.000 2.423 719 Q HA 0.650 5.000 4.340 0.016 0.000 0.278 719 Q C -1.203 174.554 176.000 -0.405 0.000 1.097 719 Q CA -0.690 54.989 55.803 -0.206 0.000 0.809 719 Q CB 2.191 31.033 28.738 0.174 0.000 1.391 719 Q HN 0.604 nan 8.270 nan 0.000 0.428 720 W N 0.984 122.451 121.300 0.277 0.000 3.033 720 W HA 0.470 5.139 4.660 0.015 0.000 0.336 720 W C -0.378 176.127 176.519 -0.024 0.000 1.173 720 W CA -0.638 56.791 57.345 0.140 0.000 1.185 720 W CB 1.761 31.256 29.460 0.058 0.000 1.425 720 W HN 0.436 nan 8.180 nan 0.000 0.536 721 R N 1.537 121.976 120.500 -0.102 0.000 2.357 721 R HA 0.502 4.851 4.340 0.016 0.000 0.296 721 R C 0.540 176.708 176.300 -0.221 0.000 1.052 721 R CA -0.281 55.465 56.100 -0.591 0.000 0.988 721 R CB 1.256 31.102 30.300 -0.757 0.000 1.025 721 R HN 0.284 nan 8.270 nan 0.000 0.469 722 L N 1.282 122.381 121.223 -0.206 0.000 2.812 722 L HA 0.519 4.868 4.340 0.016 0.000 0.172 722 L C 0.687 177.477 176.870 -0.133 0.000 1.892 722 L CA -1.012 53.763 54.840 -0.108 0.000 2.525 722 L CB -0.190 41.843 42.059 -0.044 0.000 2.930 722 L HN 0.593 nan 8.230 nan 0.000 0.625 723 A N 0.319 123.089 122.820 -0.084 0.000 2.507 723 A HA 0.171 4.500 4.320 0.016 0.000 0.235 723 A C -0.217 177.319 177.584 -0.080 0.000 1.070 723 A CA 0.314 52.309 52.037 -0.070 0.000 0.768 723 A CB 0.055 19.032 19.000 -0.039 0.000 1.011 723 A HN 0.636 nan 8.150 nan 0.000 0.502 724 E N 0.899 121.060 120.200 -0.066 0.000 2.272 724 E HA 0.308 4.668 4.350 0.016 0.000 0.269 724 E C -1.522 175.064 176.600 -0.024 0.000 0.877 724 E CA -0.722 55.644 56.400 -0.056 0.000 0.755 724 E CB 1.013 30.666 29.700 -0.078 0.000 1.192 724 E HN 0.762 nan 8.360 nan 0.000 0.422 725 N N 5.307 124.005 118.700 -0.003 0.000 2.479 725 N HA 0.269 5.018 4.740 0.016 0.000 0.261 725 N C -0.405 175.115 175.510 0.017 0.000 0.979 725 N CA -0.430 52.624 53.050 0.007 0.000 0.930 725 N CB 1.426 39.921 38.487 0.013 0.000 1.172 725 N HN 0.434 nan 8.380 nan 0.000 0.499 726 L N 1.047 122.279 121.223 0.015 0.000 2.455 726 L HA 0.046 4.395 4.340 0.016 0.000 0.272 726 L C 1.334 178.221 176.870 0.029 0.000 1.174 726 L CA 0.167 55.021 54.840 0.023 0.000 0.869 726 L CB 0.400 42.471 42.059 0.021 0.000 1.130 726 L HN 0.445 nan 8.230 nan 0.000 0.474 727 S N 1.997 117.719 115.700 0.038 0.000 2.510 727 S HA 0.203 4.683 4.470 0.016 0.000 0.279 727 S C 0.733 175.353 174.600 0.034 0.000 1.284 727 S CA -0.733 57.490 58.200 0.039 0.000 1.059 727 S CB 0.829 64.058 63.200 0.047 0.000 0.901 727 S HN 0.473 nan 8.310 nan 0.000 0.491 728 V N 2.273 122.205 119.914 0.029 0.000 3.556 728 V HA 0.301 4.431 4.120 0.016 0.000 0.287 728 V C 0.872 176.981 176.094 0.025 0.000 1.422 728 V CA 0.285 62.600 62.300 0.026 0.000 1.038 728 V CB -0.784 31.051 31.823 0.021 0.000 0.850 728 V HN 0.876 nan 8.190 nan 0.000 0.437 729 T N 1.810 116.381 114.554 0.027 0.000 2.870 729 T HA 0.592 4.952 4.350 0.016 0.000 0.300 729 T C -0.257 174.460 174.700 0.029 0.000 0.989 729 T CA -0.286 61.829 62.100 0.026 0.000 1.139 729 T CB 0.718 69.601 68.868 0.025 0.000 0.920 729 T HN 0.288 nan 8.240 nan 0.000 0.537 730 L N 4.444 125.681 121.223 0.024 0.000 2.371 730 L HA 0.489 4.839 4.340 0.016 0.000 0.272 730 L C -1.627 175.257 176.870 0.023 0.000 1.124 730 L CA -1.872 52.982 54.840 0.023 0.000 0.816 730 L CB -0.850 41.218 42.059 0.015 0.000 1.129 730 L HN 0.529 nan 8.230 nan 0.000 0.448 731 P HA 0.256 nan 4.420 nan 0.000 0.272 731 P C -0.669 176.640 177.300 0.014 0.000 1.223 731 P CA -0.576 62.542 63.100 0.031 0.000 0.784 731 P CB 0.533 32.258 31.700 0.042 0.000 0.923 732 A N 2.325 125.160 122.820 0.025 0.000 2.546 732 A HA 0.396 4.725 4.320 0.016 0.000 0.243 732 A C 0.831 178.364 177.584 -0.085 0.000 1.063 732 A CA 0.085 52.127 52.037 0.008 0.000 0.757 732 A CB -0.854 18.187 19.000 0.069 0.000 0.991 732 A HN 0.770 nan 8.150 nan 0.000 0.503 733 A N 3.619 126.351 122.820 -0.147 0.000 2.608 733 A HA 0.194 4.523 4.320 0.016 0.000 0.247 733 A C 0.905 178.140 177.584 -0.581 0.000 0.972 733 A CA 0.953 52.834 52.037 -0.260 0.000 0.838 733 A CB -0.407 18.472 19.000 -0.202 0.000 0.856 733 A HN 1.181 nan 8.150 nan 0.000 0.478 734 S N 2.661 118.149 115.700 -0.353 0.000 2.430 734 S HA 0.243 4.722 4.470 0.016 0.000 0.282 734 S C 0.917 175.347 174.600 -0.284 0.000 1.186 734 S CA -0.152 57.869 58.200 -0.298 0.000 1.060 734 S CB 0.059 63.212 63.200 -0.079 0.000 0.966 734 S HN 0.798 nan 8.310 nan 0.000 0.501 735 H N 2.395 121.473 119.070 0.013 0.000 2.293 735 H HA 0.135 4.700 4.556 0.016 0.000 0.300 735 H C 1.240 176.572 175.328 0.006 0.000 1.082 735 H CA 1.315 57.369 56.048 0.009 0.000 1.308 735 H CB -0.082 29.686 29.762 0.010 0.000 1.375 735 H HN 0.632 nan 8.280 nan 0.000 0.495 736 A N 0.315 123.217 122.820 0.137 0.000 2.624 736 A HA 0.643 4.972 4.320 0.016 0.000 0.267 736 A C -0.884 176.726 177.584 0.042 0.000 1.282 736 A CA -0.490 51.588 52.037 0.068 0.000 0.934 736 A CB 0.753 19.786 19.000 0.056 0.000 1.510 736 A HN 0.212 nan 8.150 nan 0.000 0.477 737 I N -0.386 120.198 120.570 0.023 0.000 2.586 737 I HA 0.542 4.722 4.170 0.016 0.000 0.288 737 I C -2.799 173.337 176.117 0.031 0.000 1.147 737 I CA -2.002 59.320 61.300 0.037 0.000 1.047 737 I CB 2.259 40.294 38.000 0.059 0.000 1.244 737 I HN 0.329 nan 8.210 nan 0.000 0.429 738 P HA 0.299 nan 4.420 nan 0.000 0.274 738 P C -1.280 176.143 177.300 0.204 0.000 1.231 738 P CA 0.042 63.190 63.100 0.080 0.000 0.790 738 P CB 0.377 32.109 31.700 0.052 0.000 0.951 739 H N 0.361 119.472 119.070 0.069 0.000 2.472 739 H HA 0.439 5.005 4.556 0.016 0.000 0.338 739 H C -0.574 174.790 175.328 0.060 0.000 1.133 739 H CA -1.007 55.071 56.048 0.049 0.000 1.216 739 H CB 1.490 31.281 29.762 0.049 0.000 1.497 739 H HN 0.256 nan 8.280 nan 0.000 0.500 740 L N 2.511 123.802 121.223 0.112 0.000 2.317 740 L HA 0.369 4.719 4.340 0.016 0.000 0.281 740 L C -0.554 176.359 176.870 0.071 0.000 1.024 740 L CA -0.022 54.865 54.840 0.079 0.000 0.810 740 L CB 1.722 43.776 42.059 -0.009 0.000 1.240 740 L HN 0.531 nan 8.230 nan 0.000 0.427 741 T N 3.242 117.870 114.554 0.124 0.000 2.861 741 T HA 0.628 4.987 4.350 0.016 0.000 0.287 741 T C -0.601 174.208 174.700 0.183 0.000 1.003 741 T CA -0.374 61.795 62.100 0.114 0.000 0.977 741 T CB 1.456 70.381 68.868 0.094 0.000 0.996 741 T HN 0.717 nan 8.240 nan 0.000 0.448 742 T N 2.419 117.071 114.554 0.162 0.000 2.912 742 T HA 0.797 5.156 4.350 0.016 0.000 0.288 742 T C -0.399 174.362 174.700 0.101 0.000 1.030 742 T CA -0.773 61.456 62.100 0.215 0.000 1.020 742 T CB 1.490 70.503 68.868 0.242 0.000 1.056 742 T HN 0.729 nan 8.240 nan 0.000 0.480 743 S N 0.270 115.995 115.700 0.042 0.000 2.607 743 S HA 0.427 4.907 4.470 0.016 0.000 0.273 743 S C 0.764 175.324 174.600 -0.067 0.000 1.148 743 S CA -0.865 57.332 58.200 -0.005 0.000 0.833 743 S CB 1.832 65.029 63.200 -0.005 0.000 1.130 743 S HN 0.773 nan 8.310 nan 0.000 0.470 744 E N -0.114 120.054 120.200 -0.053 0.000 2.118 744 E HA -0.156 4.203 4.350 0.016 0.000 0.195 744 E C 1.164 177.686 176.600 -0.130 0.000 0.992 744 E CA 1.128 57.481 56.400 -0.079 0.000 0.804 744 E CB -0.091 29.581 29.700 -0.046 0.000 0.741 744 E HN 0.596 nan 8.360 nan 0.000 0.458 745 M N 0.637 120.176 119.600 -0.101 0.000 2.388 745 M HA 0.097 4.587 4.480 0.016 0.000 0.265 745 M C -0.071 176.153 176.300 -0.126 0.000 1.088 745 M CA 0.911 56.155 55.300 -0.093 0.000 1.134 745 M CB 0.061 32.639 32.600 -0.037 0.000 1.384 745 M HN -0.042 nan 8.290 nan 0.000 0.447 746 D N -1.723 118.588 120.400 -0.148 0.000 2.583 746 D HA 0.344 4.994 4.640 0.016 0.000 0.248 746 D C -1.478 174.746 176.300 -0.126 0.000 1.209 746 D CA -0.359 53.569 54.000 -0.119 0.000 0.848 746 D CB 2.084 42.909 40.800 0.041 0.000 1.431 746 D HN -0.067 nan 8.370 nan 0.000 0.436 747 F N 0.923 120.963 119.950 0.149 0.000 2.449 747 F HA 0.364 4.900 4.527 0.016 0.000 0.342 747 F C 0.023 175.968 175.800 0.241 0.000 1.127 747 F CA -0.793 57.297 58.000 0.149 0.000 0.975 747 F CB 1.367 40.424 39.000 0.095 0.000 1.146 747 F HN 0.082 nan 8.300 nan 0.000 0.444 748 C N 4.710 124.237 119.300 0.378 0.000 2.351 748 C HA 0.748 5.218 4.460 0.016 0.000 0.326 748 C C -0.300 174.873 174.990 0.304 0.000 1.272 748 C CA -0.881 58.330 59.018 0.322 0.000 1.650 748 C CB 0.513 28.378 27.740 0.209 0.000 2.257 748 C HN 0.524 nan 8.230 nan 0.000 0.505 749 I N 2.335 123.133 120.570 0.379 0.000 2.465 749 I HA 0.509 4.688 4.170 0.016 0.000 0.291 749 I C -0.112 176.277 176.117 0.453 0.000 1.014 749 I CA -0.177 61.339 61.300 0.361 0.000 1.093 749 I CB 1.329 39.531 38.000 0.336 0.000 1.267 749 I HN 0.656 nan 8.210 nan 0.000 0.431 750 E N 5.240 125.642 120.200 0.336 0.000 2.266 750 E HA 0.778 5.138 4.350 0.016 0.000 0.268 750 E C -1.822 174.934 176.600 0.259 0.000 0.879 750 E CA -0.895 55.673 56.400 0.280 0.000 0.762 750 E CB 2.485 32.269 29.700 0.140 0.000 1.199 750 E HN 0.532 nan 8.360 nan 0.000 0.422 751 L N 4.356 125.743 121.223 0.274 0.000 2.596 751 L HA 0.507 4.857 4.340 0.016 0.000 0.265 751 L C 0.159 177.095 176.870 0.110 0.000 0.962 751 L CA 0.573 55.532 54.840 0.199 0.000 0.891 751 L CB 1.308 43.539 42.059 0.287 0.000 1.248 751 L HN 0.780 nan 8.230 nan 0.000 0.410 752 G N 4.352 113.168 108.800 0.026 0.000 2.651 752 G HA2 -0.436 3.534 3.960 0.016 0.000 0.315 752 G HA3 -0.436 3.534 3.960 0.016 0.000 0.315 752 G C 0.554 175.439 174.900 -0.025 0.000 1.258 752 G CA 0.656 45.752 45.100 -0.006 0.000 1.002 752 G HN 1.268 nan 8.290 nan 0.000 0.551 753 N N 1.581 120.258 118.700 -0.038 0.000 2.370 753 N HA 0.116 4.866 4.740 0.016 0.000 0.198 753 N C 0.319 175.772 175.510 -0.094 0.000 1.156 753 N CA 0.792 53.805 53.050 -0.062 0.000 0.839 753 N CB 0.194 38.645 38.487 -0.059 0.000 0.989 753 N HN 0.734 nan 8.380 nan 0.000 0.468 754 K N 0.451 120.781 120.400 -0.116 0.000 2.259 754 K HA 0.528 4.858 4.320 0.016 0.000 0.249 754 K C -0.368 176.057 176.600 -0.291 0.000 0.942 754 K CA -0.715 55.389 56.287 -0.304 0.000 0.816 754 K CB 1.995 34.173 32.500 -0.536 0.000 1.155 754 K HN 0.112 nan 8.250 nan 0.000 0.428 755 R N 1.362 121.620 120.500 -0.402 0.000 2.698 755 R HA 0.473 4.822 4.340 0.016 0.000 0.275 755 R C -1.193 175.016 176.300 -0.151 0.000 1.001 755 R CA -1.044 55.011 56.100 -0.076 0.000 0.896 755 R CB 1.782 32.128 30.300 0.077 0.000 1.218 755 R HN 0.511 nan 8.270 nan 0.000 0.462 756 W N 2.027 123.437 121.300 0.183 0.000 2.839 756 W HA 0.333 5.002 4.660 0.016 0.000 0.334 756 W C -0.594 175.971 176.519 0.076 0.000 1.064 756 W CA -0.567 56.796 57.345 0.029 0.000 1.236 756 W CB 2.488 31.959 29.460 0.019 0.000 1.405 756 W HN 0.516 nan 8.180 nan 0.000 0.478 757 Q N 2.849 122.708 119.800 0.099 0.000 2.321 757 Q HA 0.466 4.816 4.340 0.016 0.000 0.270 757 Q C -2.051 173.841 176.000 -0.181 0.000 1.032 757 Q CA -0.494 55.385 55.803 0.126 0.000 0.784 757 Q CB 1.641 30.543 28.738 0.273 0.000 1.264 757 Q HN 0.373 nan 8.270 nan 0.000 0.448 758 F N 2.811 122.848 119.950 0.144 0.000 2.402 758 F HA 0.308 4.845 4.527 0.016 0.000 0.355 758 F C 0.579 176.400 175.800 0.035 0.000 1.123 758 F CA -0.904 57.146 58.000 0.083 0.000 1.021 758 F CB 1.282 40.339 39.000 0.094 0.000 1.160 758 F HN 0.514 nan 8.300 nan 0.000 0.451 759 N N 3.891 122.694 118.700 0.171 0.000 2.416 759 N HA 0.033 4.782 4.740 0.016 0.000 0.265 759 N C 0.871 176.387 175.510 0.010 0.000 1.195 759 N CA 0.015 53.111 53.050 0.078 0.000 0.943 759 N CB 0.628 39.170 38.487 0.092 0.000 1.115 759 N HN 0.685 nan 8.380 nan 0.000 0.481 760 R N 2.520 122.950 120.500 -0.116 0.000 2.316 760 R HA -0.105 4.245 4.340 0.016 0.000 0.202 760 R C 1.613 177.839 176.300 -0.124 0.000 1.029 760 R CA 0.682 56.657 56.100 -0.209 0.000 1.018 760 R CB 0.128 30.165 30.300 -0.438 0.000 0.888 760 R HN 0.658 nan 8.270 nan 0.000 0.471 761 Q N 0.869 120.629 119.800 -0.066 0.000 2.200 761 Q HA -0.065 4.285 4.340 0.016 0.000 0.197 761 Q C 1.992 177.975 176.000 -0.027 0.000 0.953 761 Q CA 1.458 57.236 55.803 -0.043 0.000 0.851 761 Q CB 0.235 28.966 28.738 -0.012 0.000 0.938 761 Q HN 0.310 nan 8.270 nan 0.000 0.488 762 S N -1.413 114.297 115.700 0.016 0.000 2.425 762 S HA 0.174 4.653 4.470 0.016 0.000 0.225 762 S C 1.495 176.021 174.600 -0.124 0.000 1.024 762 S CA 0.758 58.985 58.200 0.045 0.000 0.951 762 S CB 0.189 63.520 63.200 0.219 0.000 0.796 762 S HN 0.739 nan 8.310 nan 0.000 0.498 763 G N 0.236 108.978 108.800 -0.097 0.000 2.141 763 G HA2 -0.187 3.783 3.960 0.016 0.000 0.231 763 G HA3 -0.187 3.783 3.960 0.016 0.000 0.231 763 G C -0.112 174.735 174.900 -0.089 0.000 0.984 763 G CA 0.085 45.106 45.100 -0.132 0.000 0.660 763 G HN 0.530 nan 8.290 nan 0.000 0.525 764 F N -0.775 119.355 119.950 0.301 0.000 2.507 764 F HA 0.660 5.197 4.527 0.016 0.000 0.327 764 F C 0.570 176.437 175.800 0.113 0.000 1.068 764 F CA -1.476 56.673 58.000 0.248 0.000 0.965 764 F CB 1.499 40.598 39.000 0.165 0.000 1.192 764 F HN -0.000 nan 8.300 nan 0.000 0.476 765 L N 2.485 123.813 121.223 0.176 0.000 2.638 765 L HA 0.074 4.424 4.340 0.016 0.000 0.273 765 L C 0.973 177.746 176.870 -0.161 0.000 1.147 765 L CA 0.537 55.115 54.840 -0.436 0.000 0.941 765 L CB 0.058 41.874 42.059 -0.405 0.000 1.251 765 L HN 0.717 nan 8.230 nan 0.000 0.479 766 S N 2.436 118.030 115.700 -0.176 0.000 2.502 766 S HA 0.287 4.766 4.470 0.016 0.000 0.215 766 S C 0.513 174.993 174.600 -0.199 0.000 1.009 766 S CA -0.135 58.010 58.200 -0.093 0.000 0.908 766 S CB 0.194 63.391 63.200 -0.004 0.000 0.801 766 S HN 0.668 nan 8.310 nan 0.000 0.505 767 Q N -0.146 119.470 119.800 -0.308 0.000 2.578 767 Q HA 0.665 5.014 4.340 0.016 0.000 0.284 767 Q C -2.086 173.551 176.000 -0.605 0.000 0.960 767 Q CA -0.300 55.194 55.803 -0.516 0.000 0.809 767 Q CB 1.495 29.852 28.738 -0.635 0.000 1.462 767 Q HN 0.391 nan 8.270 nan 0.000 0.392 768 M N 1.398 120.492 119.600 -0.843 0.000 2.470 768 M HA 0.608 5.097 4.480 0.016 0.000 0.285 768 M C -1.519 174.264 176.300 -0.862 0.000 1.213 768 M CA -0.484 54.381 55.300 -0.725 0.000 0.901 768 M CB 2.381 34.590 32.600 -0.652 0.000 1.718 768 M HN 0.509 nan 8.290 nan 0.000 0.469 769 W N 2.638 123.709 121.300 -0.382 0.000 3.022 769 W HA 0.629 5.298 4.660 0.016 0.000 0.335 769 W C -1.583 174.738 176.519 -0.330 0.000 1.133 769 W CA -0.607 56.569 57.345 -0.281 0.000 1.219 769 W CB 1.766 31.097 29.460 -0.214 0.000 1.409 769 W HN 0.482 nan 8.180 nan 0.000 0.507 770 I N 2.552 123.123 120.570 0.002 0.000 2.411 770 I HA 0.449 4.628 4.170 0.016 0.000 0.284 770 I C 0.851 176.963 176.117 -0.008 0.000 1.012 770 I CA 0.293 61.550 61.300 -0.072 0.000 1.119 770 I CB 1.208 39.137 38.000 -0.117 0.000 1.261 770 I HN 0.704 nan 8.210 nan 0.000 0.448 771 G N 5.594 114.379 108.800 -0.024 0.000 2.583 771 G HA2 -0.361 3.609 3.960 0.016 0.000 0.292 771 G HA3 -0.361 3.609 3.960 0.016 0.000 0.292 771 G C 0.228 175.142 174.900 0.023 0.000 1.203 771 G CA 0.792 45.879 45.100 -0.022 0.000 0.987 771 G HN 0.765 nan 8.290 nan 0.000 0.554 772 D N 0.666 121.088 120.400 0.037 0.000 2.340 772 D HA 0.349 4.998 4.640 0.016 0.000 0.217 772 D C 0.810 177.257 176.300 0.244 0.000 1.081 772 D CA 0.690 54.749 54.000 0.099 0.000 0.842 772 D CB 0.366 41.183 40.800 0.028 0.000 0.934 772 D HN 0.719 nan 8.370 nan 0.000 0.511 773 K N 1.304 121.795 120.400 0.152 0.000 2.227 773 K HA 0.218 4.548 4.320 0.016 0.000 0.280 773 K C -0.326 176.260 176.600 -0.024 0.000 1.041 773 K CA -0.636 55.695 56.287 0.073 0.000 0.905 773 K CB 0.991 33.488 32.500 -0.005 0.000 1.068 773 K HN -0.257 nan 8.250 nan 0.000 0.470 774 K N 3.236 123.548 120.400 -0.148 0.000 2.368 774 K HA 0.018 4.348 4.320 0.016 0.000 0.282 774 K C 0.519 176.925 176.600 -0.323 0.000 1.035 774 K CA -0.276 55.711 56.287 -0.501 0.000 0.973 774 K CB 0.919 33.185 32.500 -0.390 0.000 0.957 774 K HN 0.631 nan 8.250 nan 0.000 0.474 775 Q N 1.636 121.209 119.800 -0.378 0.000 2.373 775 Q HA 0.139 4.488 4.340 0.016 0.000 0.210 775 Q C 0.244 176.167 176.000 -0.128 0.000 0.913 775 Q CA 0.631 56.341 55.803 -0.156 0.000 0.911 775 Q CB 0.401 29.092 28.738 -0.079 0.000 1.040 775 Q HN 0.508 nan 8.270 nan 0.000 0.521 776 L N 1.028 122.107 121.223 -0.240 0.000 2.329 776 L HA 0.367 4.717 4.340 0.016 0.000 0.279 776 L C 1.022 177.764 176.870 -0.212 0.000 1.014 776 L CA -0.370 54.347 54.840 -0.205 0.000 0.814 776 L CB 1.421 43.350 42.059 -0.216 0.000 1.257 776 L HN -0.059 nan 8.230 nan 0.000 0.424 777 L N 0.438 121.532 121.223 -0.215 0.000 2.408 777 L HA 0.214 4.563 4.340 0.016 0.000 0.215 777 L C 0.274 177.037 176.870 -0.178 0.000 1.081 777 L CA 0.680 55.404 54.840 -0.194 0.000 0.840 777 L CB 0.197 42.136 42.059 -0.201 0.000 1.002 777 L HN 0.609 nan 8.230 nan 0.000 0.468 778 T N 0.569 114.986 114.554 -0.227 0.000 2.916 778 T HA 0.400 4.759 4.350 0.016 0.000 0.298 778 T C -2.585 172.040 174.700 -0.125 0.000 1.031 778 T CA -1.171 60.835 62.100 -0.156 0.000 0.993 778 T CB 2.468 71.222 68.868 -0.189 0.000 1.045 778 T HN -0.242 nan 8.240 nan 0.000 0.454 779 P HA 0.131 nan 4.420 nan 0.000 0.269 779 P C -0.548 176.714 177.300 -0.064 0.000 1.217 779 P CA -0.703 62.369 63.100 -0.047 0.000 0.783 779 P CB 0.455 32.168 31.700 0.022 0.000 0.898 780 L N 2.902 124.123 121.223 -0.004 0.000 2.283 780 L HA 0.296 4.646 4.340 0.016 0.000 0.287 780 L C 0.131 176.949 176.870 -0.085 0.000 1.073 780 L CA 0.478 55.344 54.840 0.043 0.000 0.822 780 L CB -0.407 41.786 42.059 0.224 0.000 1.186 780 L HN 0.272 nan 8.230 nan 0.000 0.436 781 R N 2.997 123.342 120.500 -0.259 0.000 2.795 781 R HA 0.416 4.766 4.340 0.016 0.000 0.275 781 R C -0.948 175.190 176.300 -0.270 0.000 0.981 781 R CA -1.023 54.727 56.100 -0.583 0.000 0.917 781 R CB 1.433 31.311 30.300 -0.703 0.000 1.202 781 R HN 0.608 nan 8.270 nan 0.000 0.469 782 D N 1.296 121.608 120.400 -0.147 0.000 2.419 782 D HA -0.001 4.649 4.640 0.016 0.000 0.236 782 D C -0.328 175.614 176.300 -0.595 0.000 1.165 782 D CA 0.617 54.408 54.000 -0.349 0.000 0.882 782 D CB 0.626 41.198 40.800 -0.379 0.000 1.201 782 D HN 0.196 nan 8.370 nan 0.000 0.443 783 Q N 0.844 120.090 119.800 -0.924 0.000 2.289 783 Q HA 0.339 4.689 4.340 0.016 0.000 0.270 783 Q C -1.253 174.040 176.000 -1.179 0.000 1.038 783 Q CA -0.586 54.736 55.803 -0.803 0.000 0.812 783 Q CB 0.874 29.346 28.738 -0.443 0.000 1.300 783 Q HN 0.555 nan 8.270 nan 0.000 0.427 784 F N 0.487 120.059 119.950 -0.630 0.000 2.746 784 F HA 0.199 4.735 4.527 0.016 0.000 0.320 784 F C 0.617 175.991 175.800 -0.710 0.000 1.097 784 F CA -0.133 57.387 58.000 -0.800 0.000 1.195 784 F CB 1.516 39.728 39.000 -1.312 0.000 1.056 784 F HN 0.435 nan 8.300 nan 0.000 0.562 785 T N -0.828 113.444 114.554 -0.469 0.000 2.888 785 T HA 0.776 5.135 4.350 0.016 0.000 0.288 785 T C -0.564 173.922 174.700 -0.357 0.000 1.063 785 T CA -1.031 60.731 62.100 -0.563 0.000 1.010 785 T CB 2.645 71.111 68.868 -0.671 0.000 1.214 785 T HN 0.210 nan 8.240 nan 0.000 0.533 786 R N -0.214 120.132 120.500 -0.256 0.000 2.795 786 R HA 0.777 5.126 4.340 0.016 0.000 0.275 786 R C -0.790 175.574 176.300 0.107 0.000 0.981 786 R CA -1.260 54.797 56.100 -0.072 0.000 0.917 786 R CB 1.602 31.861 30.300 -0.069 0.000 1.202 786 R HN 0.814 nan 8.270 nan 0.000 0.469 787 A N 3.638 126.491 122.820 0.055 0.000 2.484 787 A HA 0.276 4.605 4.320 0.016 0.000 0.268 787 A C -1.946 175.693 177.584 0.092 0.000 1.114 787 A CA -1.351 50.709 52.037 0.039 0.000 0.780 787 A CB -0.458 18.514 19.000 -0.046 0.000 1.061 787 A HN 0.571 nan 8.150 nan 0.000 0.505 788 P HA 0.028 nan 4.420 nan 0.000 0.262 788 P C -0.247 177.163 177.300 0.184 0.000 1.182 788 P CA 0.512 63.760 63.100 0.248 0.000 0.761 788 P CB 0.349 32.227 31.700 0.296 0.000 0.795 789 L N 2.724 124.031 121.223 0.140 0.000 2.466 789 L HA 0.123 4.472 4.340 0.016 0.000 0.257 789 L C 1.869 178.771 176.870 0.053 0.000 1.189 789 L CA -0.353 54.513 54.840 0.043 0.000 0.813 789 L CB -0.011 42.015 42.059 -0.056 0.000 1.118 789 L HN 0.310 nan 8.230 nan 0.000 0.471 790 D N 0.496 120.875 120.400 -0.035 0.000 2.149 790 D HA -0.160 4.489 4.640 0.016 0.000 0.198 790 D C 1.573 177.814 176.300 -0.097 0.000 0.990 790 D CA 1.367 55.262 54.000 -0.175 0.000 0.839 790 D CB 0.082 40.690 40.800 -0.320 0.000 0.948 790 D HN 0.462 nan 8.370 nan 0.000 0.460 791 N N 0.833 119.495 118.700 -0.063 0.000 2.396 791 N HA -0.093 4.657 4.740 0.016 0.000 0.180 791 N C 1.094 176.629 175.510 0.042 0.000 1.028 791 N CA 0.584 53.624 53.050 -0.018 0.000 0.893 791 N CB -0.088 38.382 38.487 -0.030 0.000 0.967 791 N HN 0.227 nan 8.380 nan 0.000 0.440 792 D N 0.280 120.722 120.400 0.070 0.000 2.224 792 D HA 0.033 4.683 4.640 0.016 0.000 0.205 792 D C 1.872 178.235 176.300 0.105 0.000 0.965 792 D CA 0.471 54.552 54.000 0.136 0.000 0.852 792 D CB 0.247 41.209 40.800 0.269 0.000 0.947 792 D HN 0.343 nan 8.370 nan 0.000 0.494 793 I N -0.083 120.533 120.570 0.077 0.000 2.731 793 I HA 0.097 4.276 4.170 0.016 0.000 0.260 793 I C 1.732 177.883 176.117 0.056 0.000 1.138 793 I CA 0.467 61.801 61.300 0.057 0.000 1.461 793 I CB -0.194 37.822 38.000 0.026 0.000 1.128 793 I HN 0.029 nan 8.210 nan 0.000 0.438 794 G N 1.646 110.494 108.800 0.080 0.000 2.566 794 G HA2 -0.341 3.628 3.960 0.016 0.000 0.280 794 G HA3 -0.341 3.628 3.960 0.016 0.000 0.280 794 G C 0.671 175.719 174.900 0.247 0.000 1.225 794 G CA 0.709 45.910 45.100 0.168 0.000 0.966 794 G HN 0.492 nan 8.290 nan 0.000 0.560 795 V N -1.895 118.110 119.914 0.151 0.000 3.633 795 V HA 0.582 4.712 4.120 0.016 0.000 0.283 795 V C 1.359 177.466 176.094 0.022 0.000 1.305 795 V CA 1.312 63.642 62.300 0.049 0.000 1.153 795 V CB -0.015 31.741 31.823 -0.111 0.000 0.950 795 V HN 1.325 nan 8.190 nan 0.000 0.432 796 S N 1.183 116.903 115.700 0.034 0.000 2.546 796 S HA 0.189 4.668 4.470 0.016 0.000 0.290 796 S C -0.006 174.607 174.600 0.021 0.000 1.290 796 S CA 0.288 58.496 58.200 0.013 0.000 1.069 796 S CB 0.070 63.277 63.200 0.012 0.000 0.846 796 S HN 0.835 nan 8.310 nan 0.000 0.495 797 E N 1.502 121.709 120.200 0.011 0.000 2.392 797 E HA 0.592 4.951 4.350 0.016 0.000 0.269 797 E C 0.771 177.384 176.600 0.021 0.000 0.924 797 E CA -0.435 55.978 56.400 0.021 0.000 0.784 797 E CB 1.489 31.197 29.700 0.013 0.000 1.292 797 E HN 0.617 nan 8.360 nan 0.000 0.447 798 A N 0.761 123.600 122.820 0.031 0.000 1.884 798 A HA -0.272 4.058 4.320 0.016 0.000 0.219 798 A C 2.084 179.681 177.584 0.022 0.000 1.197 798 A CA 3.005 55.060 52.037 0.031 0.000 0.637 798 A CB -1.284 17.740 19.000 0.040 0.000 0.827 798 A HN 0.754 nan 8.150 nan 0.000 0.450 799 T N -2.396 112.169 114.554 0.019 0.000 2.698 799 T HA -0.040 4.320 4.350 0.016 0.000 0.260 799 T C 1.288 175.988 174.700 0.000 0.000 1.044 799 T CA 1.258 63.364 62.100 0.011 0.000 1.149 799 T CB -0.130 68.746 68.868 0.012 0.000 0.864 799 T HN 0.299 nan 8.240 nan 0.000 0.419 800 R N 1.151 121.647 120.500 -0.007 0.000 2.937 800 R HA 0.383 4.732 4.340 0.016 0.000 0.264 800 R C -0.657 175.632 176.300 -0.019 0.000 1.334 800 R CA -0.566 55.522 56.100 -0.019 0.000 1.516 800 R CB -0.169 30.110 30.300 -0.035 0.000 1.187 800 R HN 0.378 nan 8.270 nan 0.000 0.609 801 I N 1.765 122.327 120.570 -0.013 0.000 2.741 801 I HA -0.107 4.073 4.170 0.016 0.000 0.288 801 I C 0.364 176.465 176.117 -0.026 0.000 1.192 801 I CA 0.570 61.862 61.300 -0.013 0.000 1.426 801 I CB 0.409 38.404 38.000 -0.009 0.000 1.367 801 I HN 0.450 nan 8.210 nan 0.000 0.563 802 D N 9.840 130.222 120.400 -0.030 0.000 2.454 802 D HA 0.295 4.945 4.640 0.016 0.000 0.225 802 D C -1.696 174.564 176.300 -0.067 0.000 1.081 802 D CA -2.163 51.809 54.000 -0.046 0.000 0.864 802 D CB 1.555 42.331 40.800 -0.041 0.000 1.040 802 D HN 0.203 nan 8.370 nan 0.000 0.517 803 P HA -0.078 nan 4.420 nan 0.000 0.230 803 P C 0.877 178.085 177.300 -0.153 0.000 1.158 803 P CA 0.542 63.583 63.100 -0.097 0.000 0.769 803 P CB 0.256 31.907 31.700 -0.081 0.000 0.807 804 N N -0.042 118.566 118.700 -0.153 0.000 2.424 804 N HA -0.000 4.749 4.740 0.016 0.000 0.178 804 N C 0.463 175.795 175.510 -0.298 0.000 1.060 804 N CA -0.100 52.818 53.050 -0.220 0.000 0.901 804 N CB 0.035 38.419 38.487 -0.173 0.000 0.979 804 N HN -0.063 nan 8.380 nan 0.000 0.451 805 A N 0.458 123.150 122.820 -0.214 0.000 2.520 805 A HA -0.039 4.291 4.320 0.016 0.000 0.235 805 A C 0.654 178.044 177.584 -0.322 0.000 1.065 805 A CA -0.239 51.678 52.037 -0.200 0.000 0.764 805 A CB -0.198 18.755 19.000 -0.078 0.000 1.002 805 A HN 0.493 nan 8.150 nan 0.000 0.502 806 W N 1.568 122.625 121.300 -0.405 0.000 2.338 806 W HA -0.155 4.514 4.660 0.015 0.000 0.304 806 W C 2.236 178.146 176.519 -1.014 0.000 1.212 806 W CA 1.689 58.522 57.345 -0.853 0.000 1.264 806 W CB -0.273 28.562 29.460 -1.042 0.000 1.142 806 W HN 0.570 nan 8.180 nan 0.000 0.512 807 V N 0.895 120.689 119.914 -0.199 0.000 2.332 807 V HA -0.272 3.857 4.120 0.016 0.000 0.248 807 V C 2.150 178.320 176.094 0.126 0.000 1.055 807 V CA 2.142 64.534 62.300 0.154 0.000 1.038 807 V CB -0.357 31.608 31.823 0.238 0.000 0.651 807 V HN 0.084 nan 8.190 nan 0.000 0.450 808 E N 0.038 120.223 120.200 -0.024 0.000 2.106 808 E HA -0.202 4.158 4.350 0.016 0.000 0.192 808 E C 2.320 178.875 176.600 -0.075 0.000 0.984 808 E CA 1.246 57.628 56.400 -0.030 0.000 0.806 808 E CB -0.336 29.327 29.700 -0.062 0.000 0.750 808 E HN 0.633 nan 8.360 nan 0.000 0.458 809 R N -0.128 120.241 120.500 -0.219 0.000 2.073 809 R HA -0.115 4.234 4.340 0.016 0.000 0.234 809 R C 2.342 178.543 176.300 -0.165 0.000 1.134 809 R CA 1.393 57.330 56.100 -0.271 0.000 0.952 809 R CB -0.220 29.785 30.300 -0.492 0.000 0.850 809 R HN 0.244 nan 8.270 nan 0.000 0.433 810 W N 1.570 122.828 121.300 -0.069 0.000 2.358 810 W HA -0.083 4.587 4.660 0.016 0.000 0.303 810 W C 1.921 178.364 176.519 -0.126 0.000 1.208 810 W CA 0.785 57.976 57.345 -0.257 0.000 1.274 810 W CB -0.640 28.797 29.460 -0.039 0.000 1.138 810 W HN 0.108 nan 8.180 nan 0.000 0.515 811 K N 0.321 120.917 120.400 0.326 0.000 2.026 811 K HA -0.084 4.245 4.320 0.016 0.000 0.208 811 K C 2.283 178.932 176.600 0.081 0.000 1.048 811 K CA 1.872 58.321 56.287 0.270 0.000 0.929 811 K CB -0.725 31.899 32.500 0.205 0.000 0.713 811 K HN -0.021 nan 8.250 nan 0.000 0.439 812 A N 1.148 123.986 122.820 0.030 0.000 2.070 812 A HA -0.038 4.291 4.320 0.016 0.000 0.220 812 A C 2.182 179.741 177.584 -0.041 0.000 1.159 812 A CA 1.640 53.676 52.037 -0.001 0.000 0.656 812 A CB -0.523 18.468 19.000 -0.015 0.000 0.800 812 A HN 0.330 nan 8.150 nan 0.000 0.453 813 A N -1.914 120.842 122.820 -0.106 0.000 2.218 813 A HA 0.416 4.746 4.320 0.016 0.000 0.209 813 A C 1.791 179.263 177.584 -0.186 0.000 1.168 813 A CA 1.160 53.130 52.037 -0.112 0.000 0.804 813 A CB -0.777 18.102 19.000 -0.203 0.000 0.834 813 A HN 1.812 nan 8.150 nan 0.000 0.482 814 G N -1.277 107.311 108.800 -0.352 0.000 2.143 814 G HA2 -0.321 3.649 3.960 0.016 0.000 0.249 814 G HA3 -0.321 3.649 3.960 0.016 0.000 0.249 814 G C 0.598 175.451 174.900 -0.077 0.000 0.981 814 G CA 0.730 45.379 45.100 -0.752 0.000 0.665 814 G HN 0.762 nan 8.290 nan 0.000 0.528 815 H N -1.511 117.507 119.070 -0.087 0.000 2.387 815 H HA -0.077 4.489 4.556 0.016 0.000 0.299 815 H C 2.233 177.522 175.328 -0.064 0.000 1.090 815 H CA 1.565 57.582 56.048 -0.052 0.000 1.332 815 H CB 0.047 29.724 29.762 -0.141 0.000 1.386 815 H HN 0.611 nan 8.280 nan 0.000 0.516 816 Y N 0.591 121.018 120.300 0.211 0.000 2.457 816 Y HA -0.074 4.485 4.550 0.016 0.000 0.292 816 Y C 1.929 177.922 175.900 0.156 0.000 1.125 816 Y CA 0.629 58.822 58.100 0.155 0.000 1.254 816 Y CB 0.297 38.830 38.460 0.121 0.000 1.012 816 Y HN 0.165 nan 8.280 nan 0.000 0.555 817 Q N -0.096 119.870 119.800 0.277 0.000 2.282 817 Q HA 0.313 4.662 4.340 0.016 0.000 0.206 817 Q C 0.514 176.712 176.000 0.329 0.000 0.878 817 Q CA -0.210 55.758 55.803 0.276 0.000 0.944 817 Q CB 0.585 29.485 28.738 0.269 0.000 1.100 817 Q HN 0.274 nan 8.270 nan 0.000 0.509 818 A N 1.516 124.550 122.820 0.356 0.000 2.498 818 A HA 0.073 4.403 4.320 0.016 0.000 0.239 818 A C 0.001 177.898 177.584 0.521 0.000 1.068 818 A CA 0.178 52.492 52.037 0.461 0.000 0.766 818 A CB 0.348 19.647 19.000 0.498 0.000 1.003 818 A HN 0.112 nan 8.150 nan 0.000 0.497 819 E N 0.881 121.301 120.200 0.367 0.000 2.171 819 E HA 0.432 4.791 4.350 0.016 0.000 0.271 819 E C -0.497 176.031 176.600 -0.120 0.000 0.916 819 E CA -0.540 55.972 56.400 0.187 0.000 0.774 819 E CB 1.947 31.729 29.700 0.136 0.000 1.128 819 E HN 0.685 nan 8.360 nan 0.000 0.403 820 A N 2.743 125.352 122.820 -0.351 0.000 2.981 820 A HA 0.374 4.704 4.320 0.016 0.000 0.280 820 A C 0.546 177.942 177.584 -0.313 0.000 1.743 820 A CA -0.209 51.340 52.037 -0.814 0.000 1.430 820 A CB -0.633 18.044 19.000 -0.537 0.000 1.085 820 A HN 0.573 nan 8.150 nan 0.000 0.597 821 A N 1.829 124.501 122.820 -0.247 0.000 2.548 821 A HA 0.385 4.714 4.320 0.016 0.000 0.247 821 A C 0.190 177.693 177.584 -0.136 0.000 1.067 821 A CA -0.152 51.812 52.037 -0.122 0.000 0.757 821 A CB -0.139 18.812 19.000 -0.082 0.000 0.996 821 A HN 1.241 nan 8.150 nan 0.000 0.504 822 L N 3.333 124.471 121.223 -0.142 0.000 2.319 822 L HA 0.387 4.736 4.340 0.016 0.000 0.280 822 L C 0.505 177.251 176.870 -0.207 0.000 1.099 822 L CA 0.303 54.978 54.840 -0.274 0.000 0.828 822 L CB 0.512 42.416 42.059 -0.258 0.000 1.150 822 L HN 0.716 nan 8.230 nan 0.000 0.442 823 L N 3.627 124.709 121.223 -0.236 0.000 2.575 823 L HA 0.340 4.690 4.340 0.016 0.000 0.228 823 L C 0.289 177.092 176.870 -0.112 0.000 1.075 823 L CA 0.003 54.767 54.840 -0.125 0.000 0.867 823 L CB 0.055 42.071 42.059 -0.071 0.000 1.097 823 L HN 0.780 nan 8.230 nan 0.000 0.485 824 Q N -0.227 119.477 119.800 -0.161 0.000 2.503 824 Q HA 0.323 4.672 4.340 0.016 0.000 0.268 824 Q C -2.023 173.915 176.000 -0.104 0.000 0.982 824 Q CA -0.628 55.117 55.803 -0.096 0.000 0.907 824 Q CB 2.787 31.496 28.738 -0.049 0.000 1.467 824 Q HN 0.027 nan 8.270 nan 0.000 0.394 825 C N 3.386 122.668 119.300 -0.029 0.000 2.679 825 C HA 0.822 5.291 4.460 0.016 0.000 0.354 825 C C -0.792 174.315 174.990 0.195 0.000 1.067 825 C CA 0.622 59.667 59.018 0.045 0.000 1.317 825 C CB 0.550 28.290 27.740 0.000 0.000 1.843 825 C HN 0.859 nan 8.230 nan 0.000 0.459 826 T N 2.375 117.014 114.554 0.142 0.000 2.887 826 T HA 0.919 5.279 4.350 0.016 0.000 0.292 826 T C -0.569 173.980 174.700 -0.251 0.000 1.087 826 T CA -0.340 61.807 62.100 0.079 0.000 1.009 826 T CB 1.931 70.799 68.868 0.001 0.000 1.203 826 T HN 1.676 nan 8.240 nan 0.000 0.518 827 A N 1.058 123.535 122.820 -0.572 0.000 2.422 827 A HA 0.758 5.087 4.320 0.016 0.000 0.302 827 A C -1.346 175.988 177.584 -0.416 0.000 1.041 827 A CA -0.734 50.840 52.037 -0.771 0.000 0.708 827 A CB 1.323 19.333 19.000 -1.649 0.000 1.257 827 A HN 0.867 nan 8.150 nan 0.000 0.414 828 D N 0.982 121.205 120.400 -0.295 0.000 2.732 828 D HA 0.493 5.143 4.640 0.016 0.000 0.229 828 D C -0.864 175.347 176.300 -0.150 0.000 1.152 828 D CA -0.038 53.853 54.000 -0.182 0.000 0.854 828 D CB 2.419 43.146 40.800 -0.122 0.000 1.590 828 D HN 0.464 nan 8.370 nan 0.000 0.468 829 T N 1.505 115.994 114.554 -0.108 0.000 2.837 829 T HA 0.568 4.927 4.350 0.016 0.000 0.285 829 T C 0.496 175.163 174.700 -0.055 0.000 0.984 829 T CA -0.439 61.615 62.100 -0.077 0.000 1.049 829 T CB 1.037 69.870 68.868 -0.059 0.000 0.947 829 T HN 0.146 nan 8.240 nan 0.000 0.472 830 L N 0.962 122.159 121.223 -0.043 0.000 2.211 830 L HA 0.665 5.015 4.340 0.016 0.000 0.259 830 L C 1.929 178.788 176.870 -0.018 0.000 1.031 830 L CA -1.361 53.459 54.840 -0.032 0.000 0.877 830 L CB 0.432 42.471 42.059 -0.033 0.000 1.457 830 L HN 0.688 nan 8.230 nan 0.000 0.466 831 A N 0.464 123.276 122.820 -0.014 0.000 1.892 831 A HA -0.189 4.140 4.320 0.016 0.000 0.218 831 A C 1.163 178.745 177.584 -0.003 0.000 1.188 831 A CA 2.336 54.368 52.037 -0.007 0.000 0.631 831 A CB -0.509 18.486 19.000 -0.009 0.000 0.822 831 A HN 0.910 nan 8.150 nan 0.000 0.447 832 D N -2.444 117.952 120.400 -0.007 0.000 2.673 832 D HA 0.542 5.191 4.640 0.016 0.000 0.278 832 D C -0.142 176.154 176.300 -0.007 0.000 1.393 832 D CA 0.674 54.672 54.000 -0.003 0.000 0.805 832 D CB -0.000 40.794 40.800 -0.009 0.000 1.110 832 D HN 0.524 nan 8.370 nan 0.000 0.476 833 A N -0.536 122.274 122.820 -0.016 0.000 2.564 833 A HA 0.596 4.925 4.320 0.016 0.000 0.291 833 A C -1.792 175.763 177.584 -0.048 0.000 1.102 833 A CA -0.650 51.367 52.037 -0.035 0.000 0.660 833 A CB 1.542 20.514 19.000 -0.046 0.000 1.283 833 A HN 0.025 nan 8.150 nan 0.000 0.430 834 V N 0.480 120.347 119.914 -0.079 0.000 2.495 834 V HA 0.654 4.783 4.120 0.016 0.000 0.298 834 V C -0.958 175.051 176.094 -0.141 0.000 1.031 834 V CA -0.385 61.850 62.300 -0.109 0.000 0.871 834 V CB 1.329 33.087 31.823 -0.109 0.000 0.988 834 V HN 0.854 nan 8.190 nan 0.000 0.432 835 L N 6.346 127.474 121.223 -0.160 0.000 2.343 835 L HA 0.641 4.991 4.340 0.016 0.000 0.278 835 L C -0.871 175.862 176.870 -0.227 0.000 0.996 835 L CA -0.066 54.683 54.840 -0.152 0.000 0.831 835 L CB 1.223 43.222 42.059 -0.100 0.000 1.232 835 L HN 0.426 nan 8.230 nan 0.000 0.413 836 I N 4.124 124.547 120.570 -0.246 0.000 2.336 836 I HA 0.402 4.582 4.170 0.016 0.000 0.292 836 I C 0.113 176.199 176.117 -0.052 0.000 0.991 836 I CA -0.195 60.910 61.300 -0.325 0.000 1.227 836 I CB 1.298 38.830 38.000 -0.779 0.000 1.366 836 I HN 0.549 nan 8.210 nan 0.000 0.466 837 T N 5.163 119.688 114.554 -0.049 0.000 2.807 837 T HA 0.641 5.000 4.350 0.016 0.000 0.279 837 T C 0.193 174.936 174.700 0.070 0.000 0.993 837 T CA -0.466 61.659 62.100 0.041 0.000 0.970 837 T CB 1.755 70.623 68.868 0.001 0.000 0.950 837 T HN 0.806 nan 8.240 nan 0.000 0.441 838 T N -0.470 114.163 114.554 0.132 0.000 2.883 838 T HA 0.869 5.229 4.350 0.016 0.000 0.296 838 T C -1.349 173.393 174.700 0.071 0.000 1.117 838 T CA -1.023 61.129 62.100 0.086 0.000 1.006 838 T CB 1.994 70.965 68.868 0.172 0.000 1.191 838 T HN 0.780 nan 8.240 nan 0.000 0.508 839 A N 1.580 124.353 122.820 -0.079 0.000 2.465 839 A HA 0.727 5.057 4.320 0.016 0.000 0.292 839 A C -1.445 176.004 177.584 -0.225 0.000 1.041 839 A CA -0.747 51.278 52.037 -0.021 0.000 0.718 839 A CB 0.760 19.769 19.000 0.015 0.000 1.266 839 A HN 1.005 nan 8.150 nan 0.000 0.403 840 H N 0.265 119.383 119.070 0.079 0.000 2.747 840 H HA 0.798 5.363 4.556 0.016 0.000 0.371 840 H C 0.001 175.341 175.328 0.021 0.000 1.161 840 H CA 0.241 56.242 56.048 -0.079 0.000 1.167 840 H CB 2.168 31.763 29.762 -0.279 0.000 1.732 840 H HN 0.990 nan 8.280 nan 0.000 0.544 841 A N 1.908 124.739 122.820 0.019 0.000 2.343 841 A HA 0.399 4.729 4.320 0.016 0.000 0.316 841 A C -1.344 176.262 177.584 0.036 0.000 1.104 841 A CA -0.678 51.437 52.037 0.131 0.000 0.768 841 A CB 1.001 20.048 19.000 0.078 0.000 1.213 841 A HN 0.579 nan 8.150 nan 0.000 0.456 842 W N 1.910 123.313 121.300 0.172 0.000 2.429 842 W HA 0.462 5.132 4.660 0.016 0.000 0.314 842 W C -0.246 176.295 176.519 0.037 0.000 1.062 842 W CA -0.112 57.330 57.345 0.162 0.000 1.211 842 W CB 1.805 31.415 29.460 0.250 0.000 1.305 842 W HN 0.773 nan 8.180 nan 0.000 0.476 843 Q N 1.042 120.985 119.800 0.239 0.000 2.458 843 Q HA 0.394 4.743 4.340 0.016 0.000 0.282 843 Q C -1.012 175.129 176.000 0.236 0.000 1.106 843 Q CA -0.737 55.163 55.803 0.162 0.000 0.814 843 Q CB 3.571 32.361 28.738 0.087 0.000 1.425 843 Q HN 0.403 nan 8.270 nan 0.000 0.437 844 H N 1.556 120.662 119.070 0.061 0.000 3.149 844 H HA 0.076 4.642 4.556 0.016 0.000 0.334 844 H C -1.057 174.304 175.328 0.055 0.000 1.000 844 H CA -0.164 55.929 56.048 0.076 0.000 1.415 844 H CB 1.238 31.052 29.762 0.087 0.000 1.819 844 H HN 0.671 nan 8.280 nan 0.000 0.486 845 Q N 2.989 122.473 119.800 -0.526 0.000 2.481 845 Q HA -0.194 4.155 4.340 0.016 0.000 0.272 845 Q C 1.021 176.959 176.000 -0.104 0.000 1.157 845 Q CA 1.870 57.485 55.803 -0.314 0.000 0.935 845 Q CB -1.638 26.939 28.738 -0.268 0.000 1.338 845 Q HN 1.237 nan 8.270 nan 0.000 0.494 846 G N -1.454 107.311 108.800 -0.057 0.000 2.225 846 G HA2 -0.384 3.585 3.960 0.016 0.000 0.254 846 G HA3 -0.384 3.585 3.960 0.016 0.000 0.254 846 G C 0.058 174.965 174.900 0.011 0.000 0.988 846 G CA 0.420 45.512 45.100 -0.015 0.000 0.625 846 G HN 0.511 nan 8.290 nan 0.000 0.527 847 K N 1.692 122.109 120.400 0.029 0.000 2.183 847 K HA 0.630 4.959 4.320 0.016 0.000 0.274 847 K C 0.038 176.662 176.600 0.040 0.000 1.009 847 K CA -0.049 56.262 56.287 0.040 0.000 0.888 847 K CB 0.854 33.389 32.500 0.059 0.000 1.078 847 K HN 0.017 nan 8.250 nan 0.000 0.459 848 T N 6.180 120.747 114.554 0.021 0.000 2.723 848 T HA 0.211 4.571 4.350 0.016 0.000 0.297 848 T C 1.122 175.779 174.700 -0.072 0.000 0.925 848 T CA -0.458 61.653 62.100 0.017 0.000 1.030 848 T CB 0.363 69.255 68.868 0.039 0.000 0.905 848 T HN 0.533 nan 8.240 nan 0.000 0.502 849 L N 2.184 123.277 121.223 -0.217 0.000 2.102 849 L HA 0.315 4.665 4.340 0.016 0.000 0.202 849 L C 0.028 176.456 176.870 -0.736 0.000 1.076 849 L CA 1.028 55.477 54.840 -0.652 0.000 0.761 849 L CB 0.007 41.295 42.059 -1.284 0.000 0.921 849 L HN 0.530 nan 8.230 nan 0.000 0.444 850 F N -1.146 118.764 119.950 -0.066 0.000 2.599 850 F HA 0.541 5.078 4.527 0.016 0.000 0.311 850 F C -0.474 175.425 175.800 0.165 0.000 1.076 850 F CA -0.814 57.093 58.000 -0.153 0.000 0.937 850 F CB 2.166 40.701 39.000 -0.775 0.000 1.282 850 F HN -0.320 nan 8.300 nan 0.000 0.460 851 I N 1.596 122.393 120.570 0.379 0.000 2.436 851 I HA 0.343 4.523 4.170 0.016 0.000 0.289 851 I C -0.716 175.668 176.117 0.445 0.000 1.010 851 I CA -0.475 61.071 61.300 0.409 0.000 1.098 851 I CB 2.120 40.272 38.000 0.253 0.000 1.266 851 I HN 0.528 nan 8.210 nan 0.000 0.434 852 S N 7.006 123.074 115.700 0.614 0.000 2.498 852 S HA 0.565 5.044 4.470 0.016 0.000 0.317 852 S C -0.605 174.248 174.600 0.421 0.000 1.090 852 S CA -0.702 57.830 58.200 0.553 0.000 1.089 852 S CB 0.608 64.277 63.200 0.781 0.000 0.997 852 S HN 0.551 nan 8.310 nan 0.000 0.470 853 R N 3.664 124.331 120.500 0.279 0.000 2.343 853 R HA 0.539 4.889 4.340 0.016 0.000 0.320 853 R C -0.558 175.826 176.300 0.140 0.000 0.956 853 R CA -0.677 55.542 56.100 0.198 0.000 0.836 853 R CB 1.599 31.985 30.300 0.144 0.000 1.151 853 R HN 0.563 nan 8.270 nan 0.000 0.450 854 K N 0.949 121.431 120.400 0.138 0.000 2.444 854 K HA 0.503 4.832 4.320 0.016 0.000 0.252 854 K C -0.711 175.894 176.600 0.009 0.000 0.993 854 K CA -0.920 55.378 56.287 0.019 0.000 0.847 854 K CB 2.587 35.093 32.500 0.009 0.000 1.340 854 K HN 0.615 nan 8.250 nan 0.000 0.446 855 T N -1.438 113.039 114.554 -0.128 0.000 2.912 855 T HA 0.557 4.916 4.350 0.016 0.000 0.299 855 T C -1.353 173.234 174.700 -0.189 0.000 1.052 855 T CA -0.786 61.293 62.100 -0.035 0.000 0.996 855 T CB 0.523 69.384 68.868 -0.011 0.000 1.070 855 T HN 0.377 nan 8.240 nan 0.000 0.465 856 Y N 1.013 121.291 120.300 -0.037 0.000 2.350 856 Y HA 0.652 5.212 4.550 0.016 0.000 0.338 856 Y C 0.440 176.285 175.900 -0.091 0.000 0.961 856 Y CA -1.246 56.846 58.100 -0.012 0.000 1.100 856 Y CB 1.809 40.288 38.460 0.031 0.000 1.179 856 Y HN 0.755 nan 8.280 nan 0.000 0.454 857 R N 4.835 125.373 120.500 0.065 0.000 2.337 857 R HA 0.624 4.973 4.340 0.016 0.000 0.319 857 R C -1.776 174.480 176.300 -0.073 0.000 0.954 857 R CA -0.383 55.706 56.100 -0.018 0.000 0.840 857 R CB 0.462 30.754 30.300 -0.014 0.000 1.164 857 R HN 0.838 nan 8.270 nan 0.000 0.472 858 I N 5.259 125.728 120.570 -0.167 0.000 2.321 858 I HA 0.186 4.365 4.170 0.016 0.000 0.291 858 I C -0.091 175.920 176.117 -0.177 0.000 0.998 858 I CA -0.721 60.402 61.300 -0.294 0.000 1.227 858 I CB 1.423 39.037 38.000 -0.643 0.000 1.368 858 I HN 0.705 nan 8.210 nan 0.000 0.466 859 D N 4.353 124.689 120.400 -0.106 0.000 2.569 859 D HA 0.243 4.893 4.640 0.016 0.000 0.266 859 D C 1.252 177.552 176.300 -0.000 0.000 1.164 859 D CA -0.741 53.236 54.000 -0.039 0.000 1.071 859 D CB 0.740 41.535 40.800 -0.008 0.000 1.183 859 D HN 0.469 nan 8.370 nan 0.000 0.613 860 G N -1.381 107.437 108.800 0.030 0.000 2.559 860 G HA2 -0.147 3.822 3.960 0.016 0.000 0.216 860 G HA3 -0.147 3.822 3.960 0.016 0.000 0.216 860 G C 1.162 176.142 174.900 0.135 0.000 1.126 860 G CA 1.004 46.147 45.100 0.072 0.000 0.778 860 G HN 0.540 nan 8.290 nan 0.000 0.543 861 S N -1.177 114.599 115.700 0.127 0.000 2.548 861 S HA 0.383 4.862 4.470 0.016 0.000 0.215 861 S C 1.828 176.519 174.600 0.150 0.000 0.976 861 S CA 0.953 59.253 58.200 0.167 0.000 0.908 861 S CB 0.102 63.395 63.200 0.154 0.000 0.781 861 S HN 1.398 nan 8.310 nan 0.000 0.519 862 G N 0.514 109.406 108.800 0.154 0.000 2.175 862 G HA2 -0.213 3.756 3.960 0.016 0.000 0.244 862 G HA3 -0.213 3.756 3.960 0.016 0.000 0.244 862 G C -0.188 174.867 174.900 0.258 0.000 0.982 862 G CA 0.019 45.276 45.100 0.262 0.000 0.641 862 G HN 0.606 nan 8.290 nan 0.000 0.527 863 Q N -0.125 119.763 119.800 0.147 0.000 2.261 863 Q HA 0.608 4.957 4.340 0.016 0.000 0.252 863 Q C 0.149 176.192 176.000 0.072 0.000 0.915 863 Q CA -0.233 55.658 55.803 0.147 0.000 0.915 863 Q CB 1.566 30.378 28.738 0.123 0.000 1.204 863 Q HN 0.419 nan 8.270 nan 0.000 0.421 864 M N 2.377 122.057 119.600 0.134 0.000 2.047 864 M HA 0.443 4.933 4.480 0.016 0.000 0.342 864 M C -1.278 175.124 176.300 0.171 0.000 1.058 864 M CA -0.435 54.914 55.300 0.083 0.000 0.991 864 M CB 0.681 33.349 32.600 0.112 0.000 1.474 864 M HN 0.699 nan 8.290 nan 0.000 0.419 865 A N 6.581 129.465 122.820 0.107 0.000 2.274 865 A HA 0.691 5.021 4.320 0.016 0.000 0.309 865 A C -0.723 176.906 177.584 0.076 0.000 1.226 865 A CA -0.623 51.482 52.037 0.113 0.000 0.853 865 A CB 0.257 19.302 19.000 0.075 0.000 1.146 865 A HN 0.919 nan 8.150 nan 0.000 0.518 866 I N 1.942 122.550 120.570 0.063 0.000 2.377 866 I HA 0.364 4.543 4.170 0.016 0.000 0.293 866 I C 0.005 176.037 176.117 -0.143 0.000 0.987 866 I CA -0.133 61.102 61.300 -0.109 0.000 1.185 866 I CB 2.155 40.086 38.000 -0.116 0.000 1.341 866 I HN 0.501 nan 8.210 nan 0.000 0.455 867 T N 5.650 120.076 114.554 -0.214 0.000 2.792 867 T HA 0.598 4.957 4.350 0.016 0.000 0.280 867 T C -0.446 174.088 174.700 -0.276 0.000 0.990 867 T CA -0.484 61.503 62.100 -0.188 0.000 0.960 867 T CB 1.668 70.514 68.868 -0.037 0.000 0.939 867 T HN 0.233 nan 8.240 nan 0.000 0.439 868 V N 3.534 123.173 119.914 -0.459 0.000 2.638 868 V HA 0.504 4.633 4.120 0.016 0.000 0.306 868 V C -0.909 175.037 176.094 -0.247 0.000 1.052 868 V CA -0.965 61.076 62.300 -0.432 0.000 0.885 868 V CB 2.153 33.446 31.823 -0.883 0.000 0.999 868 V HN 0.834 nan 8.190 nan 0.000 0.424 869 D N 3.320 123.735 120.400 0.025 0.000 2.549 869 D HA 0.569 5.218 4.640 0.016 0.000 0.251 869 D C -0.936 175.484 176.300 0.201 0.000 1.153 869 D CA -0.102 54.002 54.000 0.173 0.000 0.861 869 D CB 2.725 43.643 40.800 0.197 0.000 1.207 869 D HN 0.267 nan 8.370 nan 0.000 0.543 870 V N 1.901 121.967 119.914 0.252 0.000 2.715 870 V HA 0.340 4.470 4.120 0.016 0.000 0.310 870 V C 0.069 176.310 176.094 0.244 0.000 1.054 870 V CA -0.733 61.736 62.300 0.281 0.000 0.928 870 V CB 2.753 34.783 31.823 0.345 0.000 1.007 870 V HN 0.376 nan 8.190 nan 0.000 0.437 871 E N 1.868 122.203 120.200 0.226 0.000 2.176 871 E HA 0.593 4.952 4.350 0.016 0.000 0.267 871 E C -1.688 175.036 176.600 0.207 0.000 0.893 871 E CA -0.440 56.071 56.400 0.185 0.000 0.761 871 E CB 2.357 32.153 29.700 0.161 0.000 1.133 871 E HN 0.443 nan 8.360 nan 0.000 0.409 872 V N 2.596 122.635 119.914 0.208 0.000 2.409 872 V HA 0.357 4.486 4.120 0.016 0.000 0.291 872 V C 0.202 176.398 176.094 0.170 0.000 1.020 872 V CA -0.911 61.539 62.300 0.250 0.000 0.848 872 V CB 1.346 33.355 31.823 0.310 0.000 0.990 872 V HN 0.824 nan 8.190 nan 0.000 0.430 873 A N 3.666 126.543 122.820 0.095 0.000 2.567 873 A HA 0.233 4.562 4.320 0.016 0.000 0.240 873 A C 1.657 179.313 177.584 0.120 0.000 1.053 873 A CA 0.652 52.731 52.037 0.070 0.000 0.755 873 A CB 0.203 19.205 19.000 0.004 0.000 0.978 873 A HN 1.357 nan 8.150 nan 0.000 0.507 874 S N 1.236 117.003 115.700 0.111 0.000 2.419 874 S HA -0.165 4.314 4.470 0.016 0.000 0.233 874 S C 0.971 175.650 174.600 0.132 0.000 1.016 874 S CA 1.359 59.641 58.200 0.137 0.000 0.974 874 S CB -0.292 62.968 63.200 0.101 0.000 0.786 874 S HN 0.837 nan 8.310 nan 0.000 0.492 875 D N 0.400 120.853 120.400 0.088 0.000 2.339 875 D HA 0.112 4.761 4.640 0.016 0.000 0.217 875 D C 0.621 176.957 176.300 0.061 0.000 1.050 875 D CA 0.122 54.158 54.000 0.060 0.000 0.856 875 D CB -0.463 40.360 40.800 0.038 0.000 0.922 875 D HN 0.340 nan 8.370 nan 0.000 0.518 876 T N 1.427 116.042 114.554 0.101 0.000 2.922 876 T HA 0.367 4.727 4.350 0.016 0.000 0.285 876 T C -2.583 172.238 174.700 0.201 0.000 1.005 876 T CA -1.943 60.244 62.100 0.145 0.000 1.061 876 T CB 1.195 70.156 68.868 0.154 0.000 1.007 876 T HN -0.152 nan 8.240 nan 0.000 0.502 877 P HA 0.056 nan 4.420 nan 0.000 0.264 877 P C -0.579 177.062 177.300 0.568 0.000 1.183 877 P CA 0.158 63.392 63.100 0.224 0.000 0.763 877 P CB -0.076 31.765 31.700 0.234 0.000 0.807 878 H N 3.720 123.200 119.070 0.683 0.000 3.094 878 H HA 0.052 4.617 4.556 0.016 0.000 0.320 878 H C -1.575 174.120 175.328 0.611 0.000 1.000 878 H CA -1.260 55.112 56.048 0.540 0.000 1.413 878 H CB -0.524 29.489 29.762 0.420 0.000 1.405 878 H HN 0.365 nan 8.280 nan 0.000 0.586 879 P HA -0.000 nan 4.420 nan 0.000 0.275 879 P C 0.200 177.362 177.300 -0.229 0.000 1.228 879 P CA -0.244 62.891 63.100 0.058 0.000 0.786 879 P CB 1.068 32.683 31.700 -0.143 0.000 0.927 880 A N 3.739 126.135 122.820 -0.706 0.000 2.024 880 A HA -0.137 4.193 4.320 0.016 0.000 0.220 880 A C 0.977 178.159 177.584 -0.669 0.000 1.164 880 A CA 1.451 53.049 52.037 -0.732 0.000 0.643 880 A CB -0.610 17.757 19.000 -1.056 0.000 0.806 880 A HN 0.767 nan 8.150 nan 0.000 0.451 881 R N -3.307 116.843 120.500 -0.584 0.000 2.741 881 R HA 0.714 5.063 4.340 0.016 0.000 0.276 881 R C -1.631 174.405 176.300 -0.440 0.000 1.028 881 R CA -0.839 54.936 56.100 -0.543 0.000 0.865 881 R CB 0.688 30.608 30.300 -0.632 0.000 1.268 881 R HN 0.002 nan 8.270 nan 0.000 0.475 882 I N 0.829 121.171 120.570 -0.379 0.000 2.540 882 I HA 0.664 4.843 4.170 0.016 0.000 0.280 882 I C -0.490 175.389 176.117 -0.397 0.000 1.083 882 I CA -0.364 60.723 61.300 -0.355 0.000 1.080 882 I CB 1.845 39.717 38.000 -0.214 0.000 1.205 882 I HN 0.971 nan 8.210 nan 0.000 0.459 883 G N 5.751 114.251 108.800 -0.500 0.000 2.561 883 G HA2 0.717 4.687 3.960 0.016 0.000 0.310 883 G HA3 0.717 4.687 3.960 0.016 0.000 0.310 883 G C -1.731 172.981 174.900 -0.314 0.000 1.292 883 G CA -0.619 44.243 45.100 -0.397 0.000 0.811 883 G HN 0.278 nan 8.290 nan 0.000 0.482 884 L N 0.706 121.802 121.223 -0.212 0.000 2.301 884 L HA 0.706 5.056 4.340 0.016 0.000 0.264 884 L C -0.601 176.160 176.870 -0.182 0.000 1.016 884 L CA -1.165 53.580 54.840 -0.158 0.000 0.821 884 L CB 2.363 44.406 42.059 -0.028 0.000 1.346 884 L HN 0.790 nan 8.230 nan 0.000 0.429 885 N N 0.497 119.121 118.700 -0.127 0.000 2.484 885 N HA 0.682 5.432 4.740 0.016 0.000 0.269 885 N C -1.296 174.209 175.510 -0.009 0.000 1.237 885 N CA -0.546 52.466 53.050 -0.063 0.000 0.838 885 N CB 2.299 40.789 38.487 0.006 0.000 1.593 885 N HN 0.894 nan 8.380 nan 0.000 0.485 886 C N -0.935 118.358 119.300 -0.011 0.000 3.292 886 C HA 0.586 5.056 4.460 0.016 0.000 0.338 886 C C -1.243 173.475 174.990 -0.455 0.000 1.323 886 C CA -0.845 58.090 59.018 -0.138 0.000 1.232 886 C CB 1.050 28.755 27.740 -0.058 0.000 1.517 886 C HN 0.861 nan 8.230 nan 0.000 0.470 887 Q N 1.250 120.567 119.800 -0.805 0.000 2.347 887 Q HA 0.698 5.047 4.340 0.016 0.000 0.262 887 Q C -1.112 174.574 176.000 -0.523 0.000 0.980 887 Q CA -0.448 54.666 55.803 -1.148 0.000 0.867 887 Q CB 0.991 28.697 28.738 -1.720 0.000 1.242 887 Q HN 0.759 nan 8.270 nan 0.000 0.453 888 L N 2.391 123.409 121.223 -0.342 0.000 2.399 888 L HA 0.391 4.741 4.340 0.016 0.000 0.266 888 L C 1.219 178.026 176.870 -0.104 0.000 1.114 888 L CA -0.344 54.425 54.840 -0.118 0.000 0.804 888 L CB 0.935 43.030 42.059 0.059 0.000 1.146 888 L HN 0.822 nan 8.230 nan 0.000 0.451 889 A N 1.659 124.449 122.820 -0.049 0.000 1.902 889 A HA -0.161 4.169 4.320 0.016 0.000 0.217 889 A C 1.196 178.780 177.584 0.000 0.000 1.181 889 A CA 0.928 52.935 52.037 -0.049 0.000 0.623 889 A CB -0.400 18.571 19.000 -0.048 0.000 0.818 889 A HN 0.805 nan 8.150 nan 0.000 0.443 890 Q N -0.164 119.678 119.800 0.070 0.000 2.364 890 Q HA 0.384 4.733 4.340 0.016 0.000 0.267 890 Q C -1.163 174.908 176.000 0.118 0.000 0.999 890 Q CA 0.382 56.228 55.803 0.072 0.000 0.886 890 Q CB 0.728 29.553 28.738 0.146 0.000 1.243 890 Q HN 0.161 nan 8.270 nan 0.000 0.415 891 V N 3.767 123.703 119.914 0.037 0.000 2.419 891 V HA 0.726 4.856 4.120 0.016 0.000 0.287 891 V C -0.640 175.427 176.094 -0.045 0.000 1.017 891 V CA -0.271 62.080 62.300 0.085 0.000 0.844 891 V CB 0.993 32.843 31.823 0.045 0.000 1.011 891 V HN 0.917 nan 8.190 nan 0.000 0.429 892 A N 3.002 125.719 122.820 -0.171 0.000 2.311 892 A HA 0.721 5.051 4.320 0.016 0.000 0.334 892 A C 0.972 178.548 177.584 -0.014 0.000 1.139 892 A CA -0.131 51.743 52.037 -0.271 0.000 0.830 892 A CB 1.355 19.935 19.000 -0.699 0.000 1.234 892 A HN 0.916 nan 8.150 nan 0.000 0.483 893 E N 0.490 120.684 120.200 -0.009 0.000 2.072 893 E HA -0.084 4.276 4.350 0.016 0.000 0.190 893 E C 0.400 177.068 176.600 0.114 0.000 0.982 893 E CA 0.861 57.292 56.400 0.051 0.000 0.803 893 E CB 0.105 29.820 29.700 0.025 0.000 0.755 893 E HN 0.545 nan 8.360 nan 0.000 0.453 894 R N 0.060 120.634 120.500 0.124 0.000 2.873 894 R HA 0.530 4.880 4.340 0.016 0.000 0.264 894 R C -1.023 175.454 176.300 0.295 0.000 1.026 894 R CA -0.998 55.209 56.100 0.178 0.000 1.002 894 R CB 1.947 32.323 30.300 0.125 0.000 1.174 894 R HN -0.039 nan 8.270 nan 0.000 0.488 895 V N 1.882 121.983 119.914 0.311 0.000 2.483 895 V HA 0.342 4.471 4.120 0.016 0.000 0.297 895 V C -0.347 176.019 176.094 0.452 0.000 1.027 895 V CA -0.982 61.544 62.300 0.377 0.000 0.855 895 V CB 1.725 33.719 31.823 0.284 0.000 0.995 895 V HN 0.687 nan 8.190 nan 0.000 0.424 896 N N 4.651 123.588 118.700 0.396 0.000 2.354 896 N HA 0.530 5.279 4.740 0.016 0.000 0.287 896 N C -1.266 174.491 175.510 0.412 0.000 1.016 896 N CA -0.462 52.786 53.050 0.330 0.000 0.871 896 N CB 2.690 41.260 38.487 0.139 0.000 1.299 896 N HN 0.813 nan 8.380 nan 0.000 0.482 897 W N 3.136 124.471 121.300 0.058 0.000 3.083 897 W HA 0.614 5.284 4.660 0.016 0.000 0.333 897 W C -1.967 174.519 176.519 -0.055 0.000 1.217 897 W CA -1.162 56.192 57.345 0.015 0.000 1.170 897 W CB 0.766 30.259 29.460 0.055 0.000 1.437 897 W HN 0.231 nan 8.180 nan 0.000 0.557 898 L N 4.058 125.238 121.223 -0.071 0.000 2.313 898 L HA 0.887 5.236 4.340 0.016 0.000 0.273 898 L C -0.060 176.649 176.870 -0.267 0.000 1.028 898 L CA 0.263 54.885 54.840 -0.363 0.000 0.871 898 L CB 0.511 42.444 42.059 -0.211 0.000 1.242 898 L HN 0.948 nan 8.230 nan 0.000 0.434 899 G N 3.680 112.217 108.800 -0.439 0.000 2.510 899 G HA2 0.267 4.236 3.960 0.016 0.000 0.277 899 G HA3 0.267 4.236 3.960 0.016 0.000 0.277 899 G C -1.594 173.343 174.900 0.062 0.000 1.223 899 G CA -0.944 44.151 45.100 -0.008 0.000 0.887 899 G HN 0.344 nan 8.290 nan 0.000 0.485 900 L N 1.169 122.587 121.223 0.326 0.000 2.305 900 L HA 0.650 4.999 4.340 0.016 0.000 0.281 900 L C 0.948 177.927 176.870 0.182 0.000 1.085 900 L CA 0.539 55.515 54.840 0.227 0.000 0.813 900 L CB 0.812 42.948 42.059 0.128 0.000 1.157 900 L HN 1.118 nan 8.230 nan 0.000 0.436 901 G N 3.012 111.693 108.800 -0.197 0.000 2.348 901 G HA2 0.210 4.179 3.960 0.016 0.000 0.296 901 G HA3 0.210 4.179 3.960 0.016 0.000 0.296 901 G C -2.768 171.324 174.900 -1.347 0.000 1.258 901 G CA -0.255 44.449 45.100 -0.660 0.000 0.868 901 G HN 0.310 nan 8.290 nan 0.000 0.488 902 P HA 0.096 nan 4.420 nan 0.000 0.235 902 P C 0.513 177.622 177.300 -0.318 0.000 1.177 902 P CA 0.630 63.116 63.100 -1.023 0.000 0.785 902 P CB 0.455 31.675 31.700 -0.800 0.000 0.885 903 Q N 0.420 120.018 119.800 -0.337 0.000 2.316 903 Q HA 0.159 4.508 4.340 0.016 0.000 0.215 903 Q C 0.382 176.259 176.000 -0.205 0.000 1.020 903 Q CA -0.674 55.005 55.803 -0.206 0.000 0.970 903 Q CB 0.561 29.198 28.738 -0.169 0.000 1.187 903 Q HN 0.111 nan 8.270 nan 0.000 0.546 904 E N 1.231 121.316 120.200 -0.192 0.000 2.529 904 E HA -0.109 4.250 4.350 0.016 0.000 0.259 904 E C -1.170 175.330 176.600 -0.166 0.000 0.966 904 E CA 0.247 56.519 56.400 -0.214 0.000 0.937 904 E CB 0.209 29.851 29.700 -0.096 0.000 0.923 904 E HN 0.568 nan 8.360 nan 0.000 0.468 905 N N 2.835 121.353 118.700 -0.304 0.000 2.331 905 N HA 0.360 5.110 4.740 0.016 0.000 0.280 905 N C -1.821 173.442 175.510 -0.412 0.000 1.155 905 N CA -0.692 52.234 53.050 -0.207 0.000 0.822 905 N CB 0.817 39.209 38.487 -0.157 0.000 1.619 905 N HN 0.264 nan 8.380 nan 0.000 0.476 906 Y N -0.344 119.856 120.300 -0.168 0.000 2.602 906 Y HA 0.483 5.043 4.550 0.016 0.000 0.342 906 Y C -1.670 174.140 175.900 -0.150 0.000 1.029 906 Y CA -2.020 55.962 58.100 -0.197 0.000 1.080 906 Y CB 2.087 40.426 38.460 -0.201 0.000 1.284 906 Y HN 0.448 nan 8.280 nan 0.000 0.485 907 P HA -0.194 nan 4.420 nan 0.000 0.216 907 P C 0.370 177.519 177.300 -0.252 0.000 1.154 907 P CA 2.178 65.303 63.100 0.042 0.000 0.865 907 P CB 0.187 32.032 31.700 0.242 0.000 0.789 908 D N -2.326 117.685 120.400 -0.648 0.000 2.342 908 D HA 0.013 4.662 4.640 0.016 0.000 0.221 908 D C 0.638 176.772 176.300 -0.277 0.000 1.101 908 D CA 0.049 53.466 54.000 -0.971 0.000 0.837 908 D CB -0.226 39.803 40.800 -1.285 0.000 0.938 908 D HN 0.125 nan 8.370 nan 0.000 0.508 909 R N 1.061 121.498 120.500 -0.104 0.000 2.837 909 R HA 0.182 4.532 4.340 0.016 0.000 0.245 909 R C -0.835 175.487 176.300 0.037 0.000 1.712 909 R CA -0.184 55.923 56.100 0.012 0.000 1.539 909 R CB 0.066 30.382 30.300 0.028 0.000 1.490 909 R HN 0.103 nan 8.270 nan 0.000 0.667 910 L N -1.231 120.021 121.223 0.047 0.000 3.635 910 L HA 0.309 4.659 4.340 0.016 0.000 0.338 910 L C 1.171 178.085 176.870 0.073 0.000 1.275 910 L CA 0.110 54.974 54.840 0.040 0.000 1.092 910 L CB 0.020 42.088 42.059 0.016 0.000 1.465 910 L HN 0.118 nan 8.230 nan 0.000 0.625 911 T N -2.699 111.925 114.554 0.117 0.000 2.915 911 T HA 0.040 4.399 4.350 0.016 0.000 0.269 911 T C 1.709 176.431 174.700 0.036 0.000 1.071 911 T CA 1.304 63.492 62.100 0.147 0.000 1.132 911 T CB -0.256 68.757 68.868 0.242 0.000 0.878 911 T HN 0.402 nan 8.240 nan 0.000 0.479 912 A N 1.371 124.210 122.820 0.031 0.000 2.123 912 A HA 0.685 5.014 4.320 0.016 0.000 0.214 912 A C 1.565 179.203 177.584 0.090 0.000 1.152 912 A CA 0.385 52.385 52.037 -0.063 0.000 0.728 912 A CB -0.789 18.340 19.000 0.215 0.000 0.814 912 A HN 0.805 nan 8.150 nan 0.000 0.464 913 A N -0.942 121.887 122.820 0.015 0.000 2.371 913 A HA 0.458 4.788 4.320 0.016 0.000 0.257 913 A C 0.022 177.610 177.584 0.007 0.000 1.089 913 A CA -0.139 51.868 52.037 -0.050 0.000 0.794 913 A CB -0.087 18.881 19.000 -0.053 0.000 1.029 913 A HN 0.449 nan 8.150 nan 0.000 0.488 914 C N 0.836 120.130 119.300 -0.010 0.000 2.435 914 C HA 0.535 5.005 4.460 0.016 0.000 0.333 914 C C -0.045 175.063 174.990 0.197 0.000 1.202 914 C CA -0.421 58.662 59.018 0.108 0.000 1.830 914 C CB 0.500 28.326 27.740 0.144 0.000 2.326 914 C HN 0.765 nan 8.230 nan 0.000 0.507 915 F N 4.018 123.839 119.950 -0.214 0.000 2.444 915 F HA 0.476 5.012 4.527 0.016 0.000 0.360 915 F C 0.366 175.857 175.800 -0.515 0.000 1.106 915 F CA 1.009 58.737 58.000 -0.452 0.000 1.170 915 F CB -0.087 38.134 39.000 -1.297 0.000 1.113 915 F HN 0.657 nan 8.300 nan 0.000 0.521 916 D N 3.282 123.015 120.400 -1.112 0.000 2.879 916 D HA 0.147 4.797 4.640 0.016 0.000 0.346 916 D C -1.662 173.742 176.300 -1.494 0.000 1.390 916 D CA -0.714 52.539 54.000 -1.245 0.000 0.838 916 D CB 1.412 41.438 40.800 -1.290 0.000 1.416 916 D HN 0.466 nan 8.370 nan 0.000 0.493 917 R N 0.754 120.472 120.500 -1.304 0.000 2.207 917 R HA 0.515 4.865 4.340 0.016 0.000 0.334 917 R C -1.493 174.083 176.300 -1.206 0.000 1.013 917 R CA -0.206 55.280 56.100 -1.024 0.000 0.858 917 R CB 0.209 30.150 30.300 -0.598 0.000 1.094 917 R HN 0.266 nan 8.270 nan 0.000 0.457 918 W N 2.504 123.270 121.300 -0.891 0.000 2.639 918 W HA 0.458 5.128 4.660 0.016 0.000 0.347 918 W C -0.464 175.678 176.519 -0.627 0.000 1.067 918 W CA -0.605 56.166 57.345 -0.957 0.000 1.218 918 W CB 1.702 30.120 29.460 -1.736 0.000 1.393 918 W HN 0.394 nan 8.180 nan 0.000 0.557 919 D N 2.472 122.829 120.400 -0.071 0.000 2.613 919 D HA 0.400 5.049 4.640 0.016 0.000 0.230 919 D C -1.512 174.884 176.300 0.159 0.000 1.365 919 D CA -0.135 53.918 54.000 0.087 0.000 0.976 919 D CB 1.053 41.861 40.800 0.013 0.000 1.415 919 D HN 0.355 nan 8.370 nan 0.000 0.589 920 L N 2.957 124.346 121.223 0.276 0.000 2.327 920 L HA 0.587 4.937 4.340 0.016 0.000 0.258 920 L C -2.295 174.688 176.870 0.188 0.000 1.024 920 L CA -2.093 52.879 54.840 0.220 0.000 0.825 920 L CB 2.668 44.900 42.059 0.289 0.000 1.386 920 L HN 0.178 nan 8.230 nan 0.000 0.417 921 P HA 0.060 nan 4.420 nan 0.000 0.274 921 P C 0.503 177.879 177.300 0.127 0.000 1.237 921 P CA -0.433 62.737 63.100 0.115 0.000 0.793 921 P CB 1.061 32.808 31.700 0.079 0.000 0.977 922 L N 2.894 124.195 121.223 0.131 0.000 2.012 922 L HA -0.245 4.105 4.340 0.016 0.000 0.210 922 L C 2.376 179.297 176.870 0.085 0.000 1.073 922 L CA 2.793 57.703 54.840 0.117 0.000 0.748 922 L CB -1.638 40.504 42.059 0.139 0.000 0.891 922 L HN 0.466 nan 8.230 nan 0.000 0.431 923 S N -1.533 114.217 115.700 0.084 0.000 2.402 923 S HA -0.225 4.254 4.470 0.016 0.000 0.233 923 S C 1.646 176.323 174.600 0.128 0.000 1.030 923 S CA 1.346 59.615 58.200 0.115 0.000 1.003 923 S CB -0.923 62.333 63.200 0.093 0.000 0.813 923 S HN 0.537 nan 8.310 nan 0.000 0.477 924 D N 1.151 121.594 120.400 0.072 0.000 2.310 924 D HA 0.064 4.713 4.640 0.016 0.000 0.212 924 D C 1.320 177.615 176.300 -0.008 0.000 0.965 924 D CA 0.714 54.730 54.000 0.027 0.000 0.879 924 D CB -0.179 40.647 40.800 0.043 0.000 0.921 924 D HN 0.396 nan 8.370 nan 0.000 0.510 925 M N -0.543 119.064 119.600 0.011 0.000 2.494 925 M HA 0.070 4.560 4.480 0.016 0.000 0.232 925 M C -0.088 176.208 176.300 -0.006 0.000 1.137 925 M CA -0.035 55.227 55.300 -0.062 0.000 1.012 925 M CB -0.731 31.826 32.600 -0.071 0.000 1.567 925 M HN -0.056 nan 8.290 nan 0.000 0.486 926 Y N 0.251 120.503 120.300 -0.080 0.000 2.376 926 Y HA 0.493 5.053 4.550 0.016 0.000 0.340 926 Y C -0.758 175.076 175.900 -0.110 0.000 0.965 926 Y CA -0.936 57.132 58.100 -0.054 0.000 1.078 926 Y CB 1.319 39.806 38.460 0.045 0.000 1.193 926 Y HN -0.113 nan 8.280 nan 0.000 0.452 927 T N 8.916 122.902 114.554 -0.946 0.000 2.772 927 T HA 0.277 4.636 4.350 0.016 0.000 0.288 927 T C -2.643 171.260 174.700 -1.328 0.000 0.994 927 T CA -1.546 59.962 62.100 -0.987 0.000 0.951 927 T CB 1.149 69.514 68.868 -0.838 0.000 0.933 927 T HN 0.456 nan 8.240 nan 0.000 0.447 928 P HA 0.079 nan 4.420 nan 0.000 0.238 928 P C -0.575 176.567 177.300 -0.263 0.000 1.714 928 P CA -0.353 62.362 63.100 -0.641 0.000 0.908 928 P CB -0.847 30.590 31.700 -0.438 0.000 1.893 929 Y N -0.488 119.738 120.300 -0.125 0.000 2.712 929 Y HA -0.097 4.463 4.550 0.016 0.000 0.333 929 Y C 2.266 178.207 175.900 0.069 0.000 1.225 929 Y CA -0.492 57.600 58.100 -0.013 0.000 1.499 929 Y CB 0.514 38.917 38.460 -0.094 0.000 1.288 929 Y HN -0.119 nan 8.280 nan 0.000 0.575 930 V N 3.513 123.636 119.914 0.348 0.000 2.392 930 V HA -0.297 3.833 4.120 0.016 0.000 0.249 930 V C 0.459 176.725 176.094 0.287 0.000 1.059 930 V CA 1.400 63.892 62.300 0.320 0.000 1.051 930 V CB -0.565 31.487 31.823 0.381 0.000 0.658 930 V HN 0.580 nan 8.190 nan 0.000 0.455 931 F N 3.308 123.310 119.950 0.088 0.000 2.334 931 F HA 0.531 5.068 4.527 0.016 0.000 0.367 931 F C -2.507 173.295 175.800 0.003 0.000 1.115 931 F CA -3.565 54.428 58.000 -0.010 0.000 1.116 931 F CB 0.761 39.650 39.000 -0.184 0.000 1.230 931 F HN -0.020 nan 8.300 nan 0.000 0.484 932 P HA 0.202 nan 4.420 nan 0.000 0.268 932 P C -0.912 176.004 177.300 -0.639 0.000 1.204 932 P CA 0.187 62.966 63.100 -0.535 0.000 0.768 932 P CB 1.204 32.656 31.700 -0.414 0.000 0.842 933 S N 0.458 116.017 115.700 -0.236 0.000 2.661 933 S HA 0.438 4.917 4.470 0.016 0.000 0.268 933 S C -0.788 173.798 174.600 -0.023 0.000 1.162 933 S CA -0.932 57.194 58.200 -0.122 0.000 0.817 933 S CB 0.583 63.750 63.200 -0.056 0.000 1.141 933 S HN 0.316 nan 8.310 nan 0.000 0.477 934 E N 1.104 121.305 120.200 0.003 0.000 2.502 934 E HA 0.349 4.708 4.350 0.016 0.000 0.261 934 E C -0.160 176.497 176.600 0.094 0.000 0.974 934 E CA 0.936 57.367 56.400 0.053 0.000 0.936 934 E CB -0.194 29.564 29.700 0.096 0.000 0.926 934 E HN 0.817 nan 8.360 nan 0.000 0.459 935 N N 1.277 120.063 118.700 0.143 0.000 3.046 935 N HA 0.474 5.223 4.740 0.016 0.000 0.243 935 N C 0.209 175.768 175.510 0.081 0.000 1.452 935 N CA -0.551 52.620 53.050 0.202 0.000 0.882 935 N CB 0.812 39.404 38.487 0.174 0.000 1.425 935 N HN 0.739 nan 8.380 nan 0.000 0.517 936 G N -1.316 107.487 108.800 0.006 0.000 2.184 936 G HA2 -0.277 3.693 3.960 0.016 0.000 0.264 936 G HA3 -0.277 3.693 3.960 0.016 0.000 0.264 936 G C -0.144 174.497 174.900 -0.433 0.000 0.975 936 G CA 0.441 45.426 45.100 -0.191 0.000 0.642 936 G HN 0.727 nan 8.290 nan 0.000 0.536 937 L N 0.107 121.004 121.223 -0.543 0.000 2.506 937 L HA 0.592 4.942 4.340 0.016 0.000 0.281 937 L C 0.708 176.981 176.870 -0.995 0.000 1.228 937 L CA 0.625 54.901 54.840 -0.941 0.000 0.850 937 L CB 0.491 41.695 42.059 -1.425 0.000 1.110 937 L HN 0.280 nan 8.230 nan 0.000 0.496 938 R N 2.455 122.275 120.500 -1.133 0.000 2.532 938 R HA 0.508 4.857 4.340 0.016 0.000 0.297 938 R C -0.965 174.961 176.300 -0.624 0.000 0.984 938 R CA -0.286 55.282 56.100 -0.887 0.000 0.884 938 R CB 1.423 31.070 30.300 -1.087 0.000 1.182 938 R HN 0.716 nan 8.270 nan 0.000 0.442 939 C N 0.160 119.258 119.300 -0.337 0.000 2.547 939 C HA 0.713 5.182 4.460 0.016 0.000 0.411 939 C C 1.257 176.229 174.990 -0.030 0.000 1.424 939 C CA -0.102 58.801 59.018 -0.192 0.000 1.848 939 C CB 1.290 28.936 27.740 -0.156 0.000 2.062 939 C HN 1.018 nan 8.230 nan 0.000 0.504 940 G N 1.640 110.434 108.800 -0.010 0.000 2.390 940 G HA2 -0.189 3.780 3.960 0.016 0.000 0.299 940 G HA3 -0.189 3.780 3.960 0.016 0.000 0.299 940 G C -0.044 174.937 174.900 0.135 0.000 1.002 940 G CA 0.675 45.818 45.100 0.073 0.000 0.979 940 G HN 0.794 nan 8.290 nan 0.000 0.513 941 T N 0.071 114.591 114.554 -0.057 0.000 2.771 941 T HA 0.492 4.852 4.350 0.016 0.000 0.291 941 T C 1.365 175.776 174.700 -0.481 0.000 0.954 941 T CA -0.608 61.394 62.100 -0.162 0.000 1.045 941 T CB 1.391 70.216 68.868 -0.072 0.000 0.917 941 T HN 0.232 nan 8.240 nan 0.000 0.484 942 R N 1.629 122.048 120.500 -0.135 0.000 2.254 942 R HA 0.289 4.638 4.340 0.016 0.000 0.193 942 R C 0.584 176.888 176.300 0.006 0.000 0.929 942 R CA 0.247 56.323 56.100 -0.039 0.000 1.038 942 R CB 0.341 30.748 30.300 0.179 0.000 1.009 942 R HN 0.729 nan 8.270 nan 0.000 0.512 943 E N 0.395 120.607 120.200 0.020 0.000 2.381 943 E HA 0.297 4.657 4.350 0.016 0.000 0.286 943 E C -1.895 174.825 176.600 0.200 0.000 0.960 943 E CA -0.631 55.872 56.400 0.171 0.000 0.793 943 E CB 1.481 31.259 29.700 0.130 0.000 1.225 943 E HN -0.071 nan 8.360 nan 0.000 0.420 944 L N 3.727 125.130 121.223 0.301 0.000 2.408 944 L HA 0.620 4.969 4.340 0.016 0.000 0.268 944 L C -1.897 175.164 176.870 0.317 0.000 0.986 944 L CA -0.397 54.576 54.840 0.221 0.000 0.820 944 L CB 1.867 43.943 42.059 0.029 0.000 1.303 944 L HN 0.481 nan 8.230 nan 0.000 0.411 945 N N 4.385 123.248 118.700 0.272 0.000 2.354 945 N HA 0.416 5.165 4.740 0.016 0.000 0.287 945 N C -1.999 173.731 175.510 0.366 0.000 1.016 945 N CA -0.235 52.965 53.050 0.251 0.000 0.871 945 N CB 2.150 40.726 38.487 0.149 0.000 1.299 945 N HN 0.637 nan 8.380 nan 0.000 0.482 946 Y N 1.105 121.535 120.300 0.216 0.000 2.358 946 Y HA 0.407 4.966 4.550 0.016 0.000 0.324 946 Y C 0.700 176.706 175.900 0.178 0.000 1.123 946 Y CA 0.163 58.400 58.100 0.228 0.000 1.067 946 Y CB 0.755 39.410 38.460 0.324 0.000 1.230 946 Y HN 0.834 nan 8.280 nan 0.000 0.429 947 G N 6.412 114.993 108.800 -0.365 0.000 2.611 947 G HA2 -0.316 3.653 3.960 0.016 0.000 0.301 947 G HA3 -0.316 3.653 3.960 0.016 0.000 0.301 947 G C -1.678 173.094 174.900 -0.212 0.000 1.233 947 G CA 0.246 45.138 45.100 -0.346 0.000 0.993 947 G HN 0.585 nan 8.290 nan 0.000 0.553 948 P HA 0.143 nan 4.420 nan 0.000 0.240 948 P C 0.321 177.428 177.300 -0.321 0.000 1.190 948 P CA 0.794 63.693 63.100 -0.334 0.000 0.781 948 P CB -0.009 31.407 31.700 -0.472 0.000 0.931 949 H N 0.398 119.414 119.070 -0.091 0.000 2.505 949 H HA 0.443 5.008 4.556 0.016 0.000 0.351 949 H C -0.013 175.020 175.328 -0.490 0.000 1.151 949 H CA -0.005 55.856 56.048 -0.312 0.000 1.339 949 H CB 1.464 30.872 29.762 -0.589 0.000 1.483 949 H HN 0.072 nan 8.280 nan 0.000 0.558 950 Q N 2.462 121.943 119.800 -0.532 0.000 2.263 950 Q HA 0.196 4.545 4.340 0.016 0.000 0.266 950 Q C -1.607 174.068 176.000 -0.543 0.000 1.002 950 Q CA -0.634 54.953 55.803 -0.360 0.000 0.790 950 Q CB 1.868 30.562 28.738 -0.074 0.000 1.272 950 Q HN 0.590 nan 8.270 nan 0.000 0.435 951 W N 3.997 125.246 121.300 -0.084 0.000 2.573 951 W HA 0.585 5.255 4.660 0.016 0.000 0.326 951 W C -0.087 176.524 176.519 0.152 0.000 1.049 951 W CA -0.720 56.557 57.345 -0.114 0.000 1.220 951 W CB 1.785 30.979 29.460 -0.444 0.000 1.373 951 W HN 0.506 nan 8.180 nan 0.000 0.507 952 R N 0.668 121.413 120.500 0.409 0.000 2.795 952 R HA 0.799 5.148 4.340 0.016 0.000 0.275 952 R C 0.177 176.763 176.300 0.475 0.000 0.981 952 R CA -0.547 55.810 56.100 0.428 0.000 0.917 952 R CB 2.389 32.842 30.300 0.254 0.000 1.202 952 R HN 0.733 nan 8.270 nan 0.000 0.469 953 G N 0.546 109.617 108.800 0.452 0.000 2.591 953 G HA2 0.042 4.012 3.960 0.016 0.000 0.104 953 G HA3 0.042 4.012 3.960 0.016 0.000 0.104 953 G C -1.712 173.312 174.900 0.207 0.000 1.097 953 G CA -0.276 45.050 45.100 0.376 0.000 1.076 953 G HN 0.499 nan 8.290 nan 0.000 0.485 954 D N -0.029 120.494 120.400 0.205 0.000 2.527 954 D HA 0.554 5.203 4.640 0.016 0.000 0.242 954 D C -0.762 175.555 176.300 0.028 0.000 1.285 954 D CA -0.454 53.559 54.000 0.022 0.000 0.886 954 D CB 0.041 40.882 40.800 0.069 0.000 1.402 954 D HN 0.550 nan 8.370 nan 0.000 0.528 955 F N -0.349 119.586 119.950 -0.025 0.000 2.675 955 F HA 0.744 5.280 4.527 0.016 0.000 0.324 955 F C -0.900 174.852 175.800 -0.079 0.000 1.106 955 F CA -1.028 56.894 58.000 -0.131 0.000 0.970 955 F CB 0.817 39.742 39.000 -0.126 0.000 1.385 955 F HN -0.177 nan 8.300 nan 0.000 0.489 956 Q N 1.687 121.574 119.800 0.144 0.000 2.301 956 Q HA 0.654 5.004 4.340 0.016 0.000 0.267 956 Q C -1.234 174.848 176.000 0.136 0.000 1.035 956 Q CA -0.530 55.267 55.803 -0.009 0.000 0.856 956 Q CB 2.652 31.278 28.738 -0.187 0.000 1.337 956 Q HN 0.872 nan 8.270 nan 0.000 0.450 957 F N -1.151 118.694 119.950 -0.175 0.000 2.713 957 F HA 0.720 5.256 4.527 0.016 0.000 0.311 957 F C -1.721 173.870 175.800 -0.348 0.000 1.141 957 F CA -1.105 56.750 58.000 -0.242 0.000 0.939 957 F CB 1.510 40.397 39.000 -0.189 0.000 1.325 957 F HN 0.584 nan 8.300 nan 0.000 0.453 958 N N 1.779 120.334 118.700 -0.242 0.000 2.329 958 N HA 0.734 5.484 4.740 0.016 0.000 0.282 958 N C -2.178 173.287 175.510 -0.076 0.000 1.198 958 N CA -0.712 52.178 53.050 -0.266 0.000 0.790 958 N CB 2.607 40.931 38.487 -0.271 0.000 1.579 958 N HN 1.132 nan 8.380 nan 0.000 0.475 959 I N 0.575 121.089 120.570 -0.093 0.000 2.680 959 I HA 0.686 4.865 4.170 0.016 0.000 0.291 959 I C -1.436 174.614 176.117 -0.112 0.000 1.244 959 I CA 0.005 61.218 61.300 -0.146 0.000 1.042 959 I CB 1.475 39.312 38.000 -0.272 0.000 1.277 959 I HN 1.077 nan 8.210 nan 0.000 0.423 960 S N 6.202 121.847 115.700 -0.091 0.000 2.669 960 S HA 0.491 4.971 4.470 0.016 0.000 0.266 960 S C -0.308 174.209 174.600 -0.138 0.000 1.149 960 S CA -0.918 57.228 58.200 -0.089 0.000 0.842 960 S CB 1.612 64.821 63.200 0.015 0.000 1.160 960 S HN 0.616 nan 8.310 nan 0.000 0.487 961 R N -0.171 120.094 120.500 -0.391 0.000 2.320 961 R HA 0.310 4.660 4.340 0.016 0.000 0.211 961 R C -0.943 175.005 176.300 -0.587 0.000 0.931 961 R CA 0.260 56.074 56.100 -0.478 0.000 1.071 961 R CB -1.124 28.728 30.300 -0.746 0.000 1.025 961 R HN 0.659 nan 8.270 nan 0.000 0.495 962 Y N -0.186 120.061 120.300 -0.089 0.000 2.350 962 Y HA 0.259 4.818 4.550 0.016 0.000 0.338 962 Y C 0.746 176.407 175.900 -0.398 0.000 0.961 962 Y CA -1.229 56.728 58.100 -0.238 0.000 1.100 962 Y CB 1.282 39.552 38.460 -0.317 0.000 1.179 962 Y HN -0.119 nan 8.280 nan 0.000 0.454 963 S N 1.643 116.969 115.700 -0.624 0.000 2.584 963 S HA 0.028 4.507 4.470 0.016 0.000 0.270 963 S C 0.920 175.172 174.600 -0.580 0.000 1.346 963 S CA -0.656 56.831 58.200 -1.187 0.000 1.018 963 S CB 1.099 63.546 63.200 -1.256 0.000 0.899 963 S HN 0.737 nan 8.310 nan 0.000 0.542 964 Q N 0.848 120.330 119.800 -0.531 0.000 2.084 964 Q HA -0.192 4.157 4.340 0.016 0.000 0.202 964 Q C 2.275 178.129 176.000 -0.244 0.000 0.978 964 Q CA 1.971 57.606 55.803 -0.279 0.000 0.844 964 Q CB -0.672 27.944 28.738 -0.204 0.000 0.898 964 Q HN 0.980 nan 8.270 nan 0.000 0.426 965 Q N 0.513 120.137 119.800 -0.294 0.000 2.061 965 Q HA -0.229 4.121 4.340 0.016 0.000 0.204 965 Q C 2.148 178.031 176.000 -0.195 0.000 0.984 965 Q CA 1.596 57.277 55.803 -0.203 0.000 0.846 965 Q CB 0.016 28.641 28.738 -0.187 0.000 0.902 965 Q HN 0.395 nan 8.270 nan 0.000 0.421 966 Q N -0.008 119.643 119.800 -0.249 0.000 2.030 966 Q HA -0.190 4.160 4.340 0.016 0.000 0.204 966 Q C 2.265 178.131 176.000 -0.225 0.000 0.986 966 Q CA 1.592 57.263 55.803 -0.220 0.000 0.843 966 Q CB -0.133 28.445 28.738 -0.268 0.000 0.904 966 Q HN 0.481 nan 8.270 nan 0.000 0.420 967 L N -0.037 121.043 121.223 -0.238 0.000 2.013 967 L HA -0.256 4.093 4.340 0.016 0.000 0.212 967 L C 2.690 179.418 176.870 -0.237 0.000 1.073 967 L CA 1.369 56.063 54.840 -0.244 0.000 0.753 967 L CB -0.407 41.543 42.059 -0.182 0.000 0.890 967 L HN 0.404 nan 8.230 nan 0.000 0.432 968 M N -0.567 118.924 119.600 -0.182 0.000 2.296 968 M HA -0.173 4.317 4.480 0.016 0.000 0.265 968 M C 1.531 177.752 176.300 -0.131 0.000 1.064 968 M CA 1.609 56.820 55.300 -0.149 0.000 1.109 968 M CB 0.090 32.607 32.600 -0.139 0.000 1.396 968 M HN 0.211 nan 8.290 nan 0.000 0.430 969 E N -0.876 119.246 120.200 -0.129 0.000 2.474 969 E HA 0.058 4.417 4.350 0.016 0.000 0.195 969 E C -0.327 176.225 176.600 -0.081 0.000 1.039 969 E CA 0.049 56.399 56.400 -0.085 0.000 0.881 969 E CB 0.411 30.072 29.700 -0.065 0.000 0.970 969 E HN 0.291 nan 8.360 nan 0.000 0.486 970 T N 0.253 114.723 114.554 -0.141 0.000 2.794 970 T HA 0.121 4.480 4.350 0.016 0.000 0.280 970 T C 1.083 175.682 174.700 -0.168 0.000 0.987 970 T CA -0.483 61.529 62.100 -0.146 0.000 0.993 970 T CB 1.713 70.459 68.868 -0.203 0.000 0.939 970 T HN 0.044 nan 8.240 nan 0.000 0.449 971 S N 1.855 117.551 115.700 -0.007 0.000 2.470 971 S HA 0.086 4.565 4.470 0.016 0.000 0.222 971 S C 0.254 174.888 174.600 0.058 0.000 1.024 971 S CA 0.246 58.528 58.200 0.137 0.000 0.931 971 S CB -0.200 63.210 63.200 0.349 0.000 0.791 971 S HN 0.733 nan 8.310 nan 0.000 0.513 972 H N 0.808 119.888 119.070 0.017 0.000 2.667 972 H HA 0.524 5.090 4.556 0.016 0.000 0.353 972 H C 0.940 176.239 175.328 -0.049 0.000 1.072 972 H CA -0.685 55.425 56.048 0.103 0.000 1.214 972 H CB 1.593 31.431 29.762 0.127 0.000 1.600 972 H HN 0.201 nan 8.280 nan 0.000 0.527 973 R N 1.957 122.549 120.500 0.153 0.000 2.127 973 R HA -0.198 4.151 4.340 0.016 0.000 0.238 973 R C 1.333 177.635 176.300 0.003 0.000 1.134 973 R CA 1.952 58.075 56.100 0.037 0.000 0.975 973 R CB -0.501 29.862 30.300 0.105 0.000 0.865 973 R HN 0.774 nan 8.270 nan 0.000 0.447 974 H N 1.291 120.376 119.070 0.025 0.000 2.489 974 H HA -0.016 4.550 4.556 0.016 0.000 0.293 974 H C 1.590 176.845 175.328 -0.122 0.000 1.066 974 H CA 1.070 57.088 56.048 -0.050 0.000 1.305 974 H CB -0.227 29.501 29.762 -0.057 0.000 1.386 974 H HN 0.335 nan 8.280 nan 0.000 0.551 975 L N 0.873 121.663 121.223 -0.722 0.000 2.554 975 L HA 0.148 4.498 4.340 0.016 0.000 0.226 975 L C 0.843 177.566 176.870 -0.244 0.000 1.137 975 L CA -0.131 54.397 54.840 -0.521 0.000 0.863 975 L CB -0.071 41.675 42.059 -0.521 0.000 0.985 975 L HN 0.047 nan 8.230 nan 0.000 0.451 976 L N 1.007 122.081 121.223 -0.250 0.000 2.461 976 L HA 0.047 4.396 4.340 0.016 0.000 0.272 976 L C 0.333 177.196 176.870 -0.011 0.000 1.197 976 L CA 0.179 54.858 54.840 -0.268 0.000 0.836 976 L CB 0.125 41.779 42.059 -0.675 0.000 1.105 976 L HN 0.217 nan 8.230 nan 0.000 0.477 977 H N 1.642 120.766 119.070 0.091 0.000 2.589 977 H HA 0.610 5.176 4.556 0.016 0.000 0.351 977 H C -0.829 174.610 175.328 0.186 0.000 1.074 977 H CA -1.232 54.885 56.048 0.116 0.000 1.203 977 H CB 1.351 31.128 29.762 0.025 0.000 1.558 977 H HN 0.686 nan 8.280 nan 0.000 0.522 978 A N 3.947 126.853 122.820 0.144 0.000 2.520 978 A HA 0.112 4.442 4.320 0.016 0.000 0.245 978 A C 0.328 177.944 177.584 0.055 0.000 1.072 978 A CA -0.245 51.699 52.037 -0.156 0.000 0.761 978 A CB 0.014 18.892 19.000 -0.203 0.000 1.004 978 A HN 0.860 nan 8.150 nan 0.000 0.499 979 E N 1.178 121.373 120.200 -0.009 0.000 2.359 979 E HA 0.215 4.575 4.350 0.016 0.000 0.255 979 E C -0.100 176.546 176.600 0.077 0.000 1.191 979 E CA -0.753 55.738 56.400 0.152 0.000 0.952 979 E CB 0.680 30.537 29.700 0.262 0.000 1.152 979 E HN 0.786 nan 8.360 nan 0.000 0.496 980 E N 0.210 120.458 120.200 0.079 0.000 2.392 980 E HA 0.185 4.545 4.350 0.016 0.000 0.264 980 E C 0.338 176.914 176.600 -0.040 0.000 1.024 980 E CA 0.562 56.969 56.400 0.012 0.000 0.903 980 E CB 0.419 30.123 29.700 0.006 0.000 0.963 980 E HN 0.667 nan 8.360 nan 0.000 0.432 981 G N 2.772 111.545 108.800 -0.044 0.000 2.692 981 G HA2 -0.245 3.725 3.960 0.016 0.000 0.248 981 G HA3 -0.245 3.725 3.960 0.016 0.000 0.248 981 G C -0.582 174.267 174.900 -0.085 0.000 1.340 981 G CA -0.088 44.971 45.100 -0.069 0.000 0.896 981 G HN 0.581 nan 8.290 nan 0.000 0.570 982 T N 0.286 114.771 114.554 -0.114 0.000 2.809 982 T HA 0.477 4.837 4.350 0.016 0.000 0.284 982 T C -0.515 174.028 174.700 -0.261 0.000 0.992 982 T CA -0.167 61.863 62.100 -0.117 0.000 0.957 982 T CB 1.215 70.076 68.868 -0.011 0.000 0.942 982 T HN 0.548 nan 8.240 nan 0.000 0.439 983 W N 3.430 124.638 121.300 -0.153 0.000 2.356 983 W HA 0.508 5.177 4.660 0.016 0.000 0.311 983 W C -0.064 176.324 176.519 -0.220 0.000 1.328 983 W CA -0.622 56.628 57.345 -0.158 0.000 1.251 983 W CB 0.431 29.811 29.460 -0.134 0.000 1.280 983 W HN 0.423 nan 8.180 nan 0.000 0.524 984 L N 5.802 126.991 121.223 -0.056 0.000 2.333 984 L HA 0.514 4.864 4.340 0.016 0.000 0.280 984 L C -0.862 175.903 176.870 -0.176 0.000 1.004 984 L CA -0.364 54.338 54.840 -0.230 0.000 0.820 984 L CB 0.766 42.523 42.059 -0.503 0.000 1.247 984 L HN 0.297 nan 8.230 nan 0.000 0.416 985 N N 7.008 125.601 118.700 -0.178 0.000 2.407 985 N HA 0.484 5.234 4.740 0.016 0.000 0.277 985 N C -1.232 174.137 175.510 -0.235 0.000 0.995 985 N CA -0.250 52.696 53.050 -0.174 0.000 0.903 985 N CB 2.345 40.763 38.487 -0.115 0.000 1.218 985 N HN 0.561 nan 8.380 nan 0.000 0.487 986 I N 1.968 122.351 120.570 -0.311 0.000 2.411 986 I HA 0.226 4.406 4.170 0.016 0.000 0.284 986 I C -0.761 175.161 176.117 -0.326 0.000 1.012 986 I CA -0.581 60.496 61.300 -0.372 0.000 1.119 986 I CB 1.660 39.251 38.000 -0.682 0.000 1.261 986 I HN 0.188 nan 8.210 nan 0.000 0.448 987 D N 4.246 124.495 120.400 -0.252 0.000 2.185 987 D HA 0.312 4.961 4.640 0.016 0.000 0.247 987 D C 0.938 176.920 176.300 -0.531 0.000 1.027 987 D CA -0.240 53.543 54.000 -0.362 0.000 0.861 987 D CB 2.556 43.242 40.800 -0.191 0.000 1.202 987 D HN 0.682 nan 8.370 nan 0.000 0.453 988 G N 0.601 108.789 108.800 -1.020 0.000 2.453 988 G HA2 0.035 4.005 3.960 0.016 0.000 0.215 988 G HA3 0.035 4.005 3.960 0.016 0.000 0.215 988 G C 0.049 174.168 174.900 -1.301 0.000 1.147 988 G CA 0.411 44.752 45.100 -1.265 0.000 0.802 988 G HN 0.344 nan 8.290 nan 0.000 0.535 989 F N -1.688 118.043 119.950 -0.366 0.000 2.591 989 F HA 0.596 5.132 4.527 0.016 0.000 0.309 989 F C -0.582 175.102 175.800 -0.193 0.000 1.098 989 F CA -1.259 56.606 58.000 -0.226 0.000 0.937 989 F CB 2.068 40.857 39.000 -0.350 0.000 1.250 989 F HN 0.023 nan 8.300 nan 0.000 0.447 990 H N 2.127 121.184 119.070 -0.020 0.000 2.856 990 H HA 0.492 5.057 4.556 0.016 0.000 0.355 990 H C -0.786 174.560 175.328 0.029 0.000 1.079 990 H CA -0.836 55.185 56.048 -0.045 0.000 1.240 990 H CB 1.716 31.436 29.762 -0.070 0.000 1.701 990 H HN 0.786 nan 8.280 nan 0.000 0.527 991 M N 3.472 123.039 119.600 -0.055 0.000 2.245 991 M HA 0.245 4.734 4.480 0.016 0.000 0.330 991 M C 0.573 177.006 176.300 0.222 0.000 1.098 991 M CA 0.364 55.703 55.300 0.065 0.000 1.172 991 M CB 0.320 32.846 32.600 -0.123 0.000 1.467 991 M HN 0.860 nan 8.290 nan 0.000 0.454 992 G N 2.809 111.717 108.800 0.180 0.000 2.664 992 G HA2 0.251 4.220 3.960 0.016 0.000 0.242 992 G HA3 0.251 4.220 3.960 0.016 0.000 0.242 992 G C 0.654 175.549 174.900 -0.008 0.000 1.225 992 G CA -0.398 44.738 45.100 0.061 0.000 0.849 992 G HN 0.968 nan 8.290 nan 0.000 0.581 993 I N -1.248 119.261 120.570 -0.102 0.000 3.427 993 I HA 0.387 4.567 4.170 0.016 0.000 0.288 993 I C 1.223 177.282 176.117 -0.096 0.000 1.249 993 I CA 0.449 61.649 61.300 -0.166 0.000 1.421 993 I CB -0.672 37.119 38.000 -0.349 0.000 1.086 993 I HN 0.929 nan 8.210 nan 0.000 0.448 994 G N 1.438 110.206 108.800 -0.052 0.000 2.697 994 G HA2 0.032 4.001 3.960 0.016 0.000 0.240 994 G HA3 0.032 4.001 3.960 0.016 0.000 0.240 994 G C 0.511 175.418 174.900 0.013 0.000 1.346 994 G CA 0.083 45.190 45.100 0.011 0.000 0.887 994 G HN 1.292 nan 8.290 nan 0.000 0.569 995 G N -2.470 106.354 108.800 0.041 0.000 2.902 995 G HA2 0.025 3.995 3.960 0.016 0.000 0.215 995 G HA3 0.025 3.995 3.960 0.016 0.000 0.215 995 G C 0.697 175.672 174.900 0.125 0.000 0.976 995 G CA 0.926 46.066 45.100 0.066 0.000 0.794 995 G HN 0.957 nan 8.290 nan 0.000 0.557 996 D N 1.306 121.797 120.400 0.152 0.000 2.172 996 D HA 0.038 4.687 4.640 0.016 0.000 0.196 996 D C 1.025 177.376 176.300 0.085 0.000 0.999 996 D CA 2.180 56.326 54.000 0.244 0.000 0.856 996 D CB 0.088 41.036 40.800 0.246 0.000 0.934 996 D HN 0.797 nan 8.370 nan 0.000 0.453 997 D N -3.373 116.860 120.400 -0.279 0.000 2.643 997 D HA 0.357 5.007 4.640 0.016 0.000 0.283 997 D C -0.764 175.051 176.300 -0.808 0.000 1.242 997 D CA -0.737 52.660 54.000 -1.003 0.000 0.863 997 D CB 1.013 40.639 40.800 -1.957 0.000 1.382 997 D HN -0.305 nan 8.370 nan 0.000 0.444 998 S N -0.570 114.544 115.700 -0.976 0.000 2.651 998 S HA 0.242 4.722 4.470 0.016 0.000 0.246 998 S C -0.623 174.056 174.600 0.131 0.000 1.039 998 S CA -0.656 57.436 58.200 -0.179 0.000 1.013 998 S CB -0.433 62.850 63.200 0.138 0.000 0.861 998 S HN 0.614 nan 8.310 nan 0.000 0.485 999 W N 0.908 122.139 121.300 -0.115 0.000 2.055 999 W HA 0.536 5.205 4.660 0.015 0.000 0.293 999 W C -0.032 176.439 176.519 -0.080 0.000 0.886 999 W CA -0.475 56.812 57.345 -0.098 0.000 1.384 999 W CB -0.417 28.927 29.460 -0.193 0.000 1.068 999 W HN 0.172 nan 8.180 nan 0.000 0.513 1000 S N -0.832 114.720 115.700 -0.247 0.000 2.547 1000 S HA 0.606 5.086 4.470 0.016 0.000 0.270 1000 S C -3.104 171.417 174.600 -0.131 0.000 1.150 1000 S CA -1.621 56.486 58.200 -0.156 0.000 0.850 1000 S CB 1.562 64.671 63.200 -0.152 0.000 1.118 1000 S HN -0.194 nan 8.310 nan 0.000 0.461 1001 P HA 0.160 nan 4.420 nan 0.000 0.261 1001 P C 0.414 177.742 177.300 0.046 0.000 1.183 1001 P CA 0.094 63.200 63.100 0.010 0.000 0.761 1001 P CB 0.555 32.138 31.700 -0.196 0.000 0.785 1002 S N 0.667 116.439 115.700 0.120 0.000 2.847 1002 S HA 0.155 4.634 4.470 0.016 0.000 0.254 1002 S C 0.187 174.876 174.600 0.149 0.000 1.039 1002 S CA -0.337 57.911 58.200 0.081 0.000 1.113 1002 S CB -0.269 62.928 63.200 -0.006 0.000 1.092 1002 S HN 0.117 nan 8.310 nan 0.000 0.620 1003 V N 2.754 122.809 119.914 0.236 0.000 2.488 1003 V HA 0.401 4.531 4.120 0.016 0.000 0.277 1003 V C 0.804 177.061 176.094 0.271 0.000 1.046 1003 V CA -0.348 62.086 62.300 0.223 0.000 0.986 1003 V CB 1.177 33.098 31.823 0.162 0.000 0.989 1003 V HN 0.511 nan 8.190 nan 0.000 0.475 1004 S N 3.854 119.727 115.700 0.288 0.000 2.560 1004 S HA 0.283 4.763 4.470 0.016 0.000 0.284 1004 S C 1.529 176.267 174.600 0.230 0.000 1.327 1004 S CA 0.059 58.414 58.200 0.259 0.000 1.055 1004 S CB 1.071 64.444 63.200 0.288 0.000 0.868 1004 S HN 1.007 nan 8.310 nan 0.000 0.506 1005 A N 4.111 127.023 122.820 0.154 0.000 1.903 1005 A HA -0.187 4.142 4.320 0.016 0.000 0.219 1005 A C 2.029 179.639 177.584 0.044 0.000 1.191 1005 A CA 2.037 54.150 52.037 0.127 0.000 0.638 1005 A CB -0.787 18.265 19.000 0.086 0.000 0.823 1005 A HN 0.976 nan 8.150 nan 0.000 0.451 1006 E N -0.745 119.417 120.200 -0.064 0.000 2.401 1006 E HA -0.152 4.208 4.350 0.016 0.000 0.199 1006 E C 0.894 177.250 176.600 -0.406 0.000 1.023 1006 E CA 0.931 57.178 56.400 -0.255 0.000 0.859 1006 E CB -0.528 28.936 29.700 -0.393 0.000 0.780 1006 E HN 0.697 nan 8.360 nan 0.000 0.523 1007 F N 0.929 120.936 119.950 0.095 0.000 2.653 1007 F HA 0.260 4.796 4.527 0.015 0.000 0.304 1007 F C 0.886 176.733 175.800 0.079 0.000 1.092 1007 F CA -0.483 57.574 58.000 0.095 0.000 1.279 1007 F CB 0.550 39.606 39.000 0.093 0.000 1.044 1007 F HN -0.192 nan 8.300 nan 0.000 0.564 1008 Q N 1.492 121.403 119.800 0.185 0.000 2.243 1008 Q HA 0.346 4.696 4.340 0.016 0.000 0.252 1008 Q C -0.111 175.922 176.000 0.056 0.000 0.909 1008 Q CA -0.448 55.447 55.803 0.153 0.000 0.922 1008 Q CB 1.642 30.558 28.738 0.296 0.000 1.215 1008 Q HN 0.267 nan 8.270 nan 0.000 0.427 1009 L N 2.640 123.886 121.223 0.038 0.000 2.382 1009 L HA 0.061 4.411 4.340 0.016 0.000 0.259 1009 L C 0.643 177.496 176.870 -0.029 0.000 1.291 1009 L CA 0.011 54.864 54.840 0.021 0.000 1.176 1009 L CB -0.659 41.284 42.059 -0.193 0.000 1.373 1009 L HN 0.641 nan 8.230 nan 0.000 0.426 1010 S N -1.187 114.408 115.700 -0.175 0.000 2.602 1010 S HA 0.218 4.697 4.470 0.016 0.000 0.240 1010 S C 1.490 176.024 174.600 -0.109 0.000 0.992 1010 S CA 0.101 58.048 58.200 -0.422 0.000 0.971 1010 S CB 0.877 63.585 63.200 -0.821 0.000 0.855 1010 S HN 0.519 nan 8.310 nan 0.000 0.481 1011 A N 1.407 124.183 122.820 -0.073 0.000 2.119 1011 A HA 0.488 4.817 4.320 0.016 0.000 0.217 1011 A C 2.082 179.505 177.584 -0.269 0.000 1.153 1011 A CA 1.132 52.987 52.037 -0.303 0.000 0.692 1011 A CB -1.175 17.436 19.000 -0.647 0.000 0.799 1011 A HN 1.480 nan 8.150 nan 0.000 0.458 1012 G N -1.070 107.672 108.800 -0.097 0.000 2.640 1012 G HA2 -0.306 3.664 3.960 0.016 0.000 0.226 1012 G HA3 -0.306 3.664 3.960 0.016 0.000 0.226 1012 G C 0.469 175.354 174.900 -0.026 0.000 1.222 1012 G CA 0.432 45.535 45.100 0.005 0.000 0.729 1012 G HN 0.683 nan 8.290 nan 0.000 0.516 1013 R N -0.267 120.093 120.500 -0.234 0.000 2.494 1013 R HA 0.696 5.045 4.340 0.016 0.000 0.305 1013 R C -1.430 174.615 176.300 -0.424 0.000 0.959 1013 R CA -0.563 55.441 56.100 -0.160 0.000 0.864 1013 R CB 1.361 31.614 30.300 -0.079 0.000 1.159 1013 R HN 0.290 nan 8.270 nan 0.000 0.446 1014 Y N 0.524 120.806 120.300 -0.030 0.000 2.442 1014 Y HA 0.339 4.899 4.550 0.016 0.000 0.344 1014 Y C -0.345 175.671 175.900 0.193 0.000 0.976 1014 Y CA -0.880 57.155 58.100 -0.108 0.000 1.040 1014 Y CB 2.082 40.309 38.460 -0.388 0.000 1.228 1014 Y HN 0.590 nan 8.280 nan 0.000 0.451 1015 H N 2.782 122.088 119.070 0.394 0.000 2.717 1015 H HA 0.660 5.226 4.556 0.016 0.000 0.366 1015 H C -1.712 173.996 175.328 0.633 0.000 1.132 1015 H CA -1.048 55.230 56.048 0.384 0.000 1.180 1015 H CB 1.402 31.299 29.762 0.225 0.000 1.678 1015 H HN 0.572 nan 8.280 nan 0.000 0.537 1016 Y N 1.424 121.408 120.300 -0.526 0.000 2.641 1016 Y HA 0.404 4.964 4.550 0.016 0.000 0.333 1016 Y C -2.234 173.430 175.900 -0.393 0.000 1.174 1016 Y CA -1.082 56.821 58.100 -0.328 0.000 1.057 1016 Y CB 1.152 39.607 38.460 -0.009 0.000 1.322 1016 Y HN 0.775 nan 8.280 nan 0.000 0.457 1017 Q N 3.085 122.851 119.800 -0.057 0.000 2.379 1017 Q HA 0.825 5.175 4.340 0.016 0.000 0.278 1017 Q C -2.143 173.952 176.000 0.159 0.000 1.068 1017 Q CA -1.105 54.688 55.803 -0.016 0.000 0.816 1017 Q CB 3.348 32.094 28.738 0.013 0.000 1.387 1017 Q HN 0.861 nan 8.270 nan 0.000 0.413 1018 L N 0.469 121.772 121.223 0.133 0.000 2.424 1018 L HA 0.735 5.084 4.340 0.016 0.000 0.258 1018 L C -0.921 176.068 176.870 0.199 0.000 0.995 1018 L CA -1.180 53.776 54.840 0.192 0.000 0.821 1018 L CB 2.481 44.631 42.059 0.151 0.000 1.383 1018 L HN 0.448 nan 8.230 nan 0.000 0.410 1019 V N 0.465 120.522 119.914 0.238 0.000 2.448 1019 V HA 0.430 4.560 4.120 0.016 0.000 0.295 1019 V C -1.290 174.980 176.094 0.294 0.000 1.025 1019 V CA -0.356 62.090 62.300 0.244 0.000 0.859 1019 V CB 1.992 33.934 31.823 0.197 0.000 0.988 1019 V HN 0.637 nan 8.190 nan 0.000 0.431 1020 W N 6.837 128.198 121.300 0.101 0.000 2.471 1020 W HA 0.719 5.389 4.660 0.016 0.000 0.318 1020 W C -0.368 176.153 176.519 0.003 0.000 1.034 1020 W CA -1.202 56.121 57.345 -0.036 0.000 1.224 1020 W CB 1.451 30.955 29.460 0.074 0.000 1.335 1020 W HN 0.871 nan 8.180 nan 0.000 0.452 1021 C N 4.177 123.754 119.300 0.462 0.000 3.291 1021 C HA 0.826 5.296 4.460 0.016 0.000 0.316 1021 C C -0.726 174.388 174.990 0.207 0.000 1.391 1021 C CA -0.868 58.321 59.018 0.285 0.000 1.394 1021 C CB 1.508 29.355 27.740 0.178 0.000 1.744 1021 C HN 0.678 nan 8.230 nan 0.000 0.461 1022 Q N 1.970 121.835 119.800 0.109 0.000 2.333 1022 Q HA 0.858 5.208 4.340 0.016 0.000 0.268 1022 Q C -0.616 175.378 176.000 -0.011 0.000 1.007 1022 Q CA 0.177 55.986 55.803 0.010 0.000 0.810 1022 Q CB 0.949 29.654 28.738 -0.055 0.000 1.264 1022 Q HN 0.900 nan 8.270 nan 0.000 0.452 1023 K N 0.000 120.378 120.400 -0.036 0.000 2.780 1023 K HA 0.000 4.330 4.320 0.016 0.000 0.191 1023 K CA 0.000 56.271 56.287 -0.027 0.000 0.838 1023 K CB 0.000 32.487 32.500 -0.021 0.000 1.064 1023 K HN 0.000 nan 8.250 nan 0.000 0.543