REMARK SPARTA+ Protein Chemical Shift Prediction Table REMARK REMARK All chemical shifts are reported in ppm: REMARK REMARK SS_SHIFT is the predicted secondary chemical shift. REMARK SHIFT is the predicted chemical shift. REMARK RC_SHIFT is the random coil chemical shift. REMARK HM_SHIFT is the ring current shift; a correction REMARK of 0.6 times this value is applied. REMARK EF_SHIFT is the adjustment for electric field effect, REMARK applied to proton shifts only. REMARK SIGMA is the estimated prediction error. REMARK REMARK Reference: REMARK Y. Shen and A. Bax: SPARTA+: a modest improvement in empirical NMR REMARK chemical shift prediction by means of an artificial neural network. REMARK J. Biomol. NMR 48, 13-22 (2010). DATA SOURCE 3i3d_1_A DATA FIRST_RESID 13 DATA SEQUENCE RRDWENPGVT QLNRLAAHPP FASWRNSEEA RTDRPSQQLR SLNGEWRFAW DATA SEQUENCE FPAPEAVPES WLECDLPEAD TVVVPSNWQM HGYDAPIYTN VTYPITVNPP DATA SEQUENCE FVPTENPTGC YSLTFNVDES WLQEGQTRII FDGVNSAFHL WCNGRWVGYG DATA SEQUENCE QDSRLPSEFD LSAFLRAGEN RLAVMVLRWS DGSYLEDQDM WRMSGIFRDV DATA SEQUENCE SLLHKPTTQI SDFHVATRFN DDFSRAVLEA EVQMCGELRD YLRVTVSLWQ DATA SEQUENCE GETQVASGTA PFGGEIIDER GGYADRVTLR LNVENPKLWS AEIPNLYRAV DATA SEQUENCE VELHTADGTL IEAEACDVGF REVRIENGLL LLNGKPLLIR GVNRHEHHPL DATA SEQUENCE HGQVMDEQTM VQDILLMKQN NFNAVRCSHY PNHPLWYTLC DRYGLYVVDE DATA SEQUENCE ANIETHGMVP MNRLTDDPRW LPAMSERVTR MVQRDRNHPS VIIWSLGNES DATA SEQUENCE GHGANHDALY RWIKSVDPSR PVQYEGGGAD TTATDIICPM YARVDEDQPF DATA SEQUENCE PAVPKWSIKK WLSLPGETRP LILCEYAHAA GNSLGGFAKY WQAFRQYPRL DATA SEQUENCE QGGFVWDWVD QSLIKYDENG NPWSAYGGDF GDTPNDRQFC MNGLVFADRT DATA SEQUENCE PHPALTEAKH QQQFFQFRLS GQTIEVTSEY LFRHSDNELL HWMVALDGKP DATA SEQUENCE LASGEVPLDV APQGKQLIEL PELPQPESAG QLWLTVRVVQ PNATAWSEAG DATA SEQUENCE HISAWQQWRL AENLSVTLPA ASHAIPHLTT SEMDFCIELG NKRWQFNRQS DATA SEQUENCE GFLSQMWIGD KKQLLTPLRD QFTRAPLDND IGVSEATRID PNAWVERWKA DATA SEQUENCE AGHYQAEAAL LQCTADTLAD AVLITTAHAW QHQGKTLFIS RKTYRIDGSG DATA SEQUENCE QMAITVDVEV ASDTPHPARI GLNCQLAQVA ERVNWLGLGP QENYPDRLTA DATA SEQUENCE ACFDRWDLPL SDMYTPYVFP SENGLRCGTR ELNYGPHQWR GDFQFNISRY DATA SEQUENCE SQQQLMETSH RHLLHAEEGT WLNIDGFHMG IGGDDSWSPS VSAEFQLSAG DATA SEQUENCE RYHYQLVWCQ K VARS RESID RESNAME ATOMNAME SS_SHIFT SHIFT RC_SHIFT HM_SHIFT EF_SHIFT SIGMA FORMAT %4d %4s %4s %9.3f %9.3f %9.3f %9.3f %9.3f %9.3f 13 R HA 0.000 nan 4.340 nan 0.000 0.208 13 R C 0.000 176.075 176.300 -0.375 0.000 0.893 13 R CA 0.000 55.955 56.100 -0.242 0.000 0.921 13 R CB 0.000 30.162 30.300 -0.231 0.000 0.687 14 R N 1.977 122.135 120.500 -0.571 0.000 3.158 14 R HA -0.161 4.178 4.340 -0.001 0.000 0.244 14 R C -0.295 175.456 176.300 -0.915 0.000 0.900 14 R CA 0.850 56.211 56.100 -1.233 0.000 0.618 14 R CB -1.243 28.476 30.300 -0.967 0.000 1.061 14 R HN 0.254 nan 8.270 nan 0.000 0.471 15 D N -0.135 119.931 120.400 -0.558 0.000 2.311 15 D HA -0.182 4.457 4.640 -0.001 0.000 0.212 15 D C 1.560 177.764 176.300 -0.160 0.000 0.972 15 D CA 1.606 55.366 54.000 -0.400 0.000 0.887 15 D CB -0.118 40.283 40.800 -0.666 0.000 0.915 15 D HN 0.732 nan 8.370 nan 0.000 0.497 16 W N 1.150 122.462 121.300 0.020 0.000 3.292 16 W HA 0.228 4.888 4.660 -0.001 0.000 0.263 16 W C 0.483 177.091 176.519 0.148 0.000 1.318 16 W CA -0.287 57.173 57.345 0.192 0.000 1.663 16 W CB -0.226 29.393 29.460 0.265 0.000 1.114 16 W HN -0.193 nan 8.180 nan 0.000 0.706 17 E N 1.035 121.140 120.200 -0.157 0.000 3.105 17 E HA 0.044 4.393 4.350 -0.001 0.000 0.198 17 E C -0.645 175.794 176.600 -0.269 0.000 0.976 17 E CA -0.172 56.137 56.400 -0.151 0.000 1.219 17 E CB -0.147 29.438 29.700 -0.192 0.000 1.081 17 E HN 0.017 nan 8.360 nan 0.000 0.464 18 N N 1.489 120.068 118.700 -0.203 0.000 2.577 18 N HA 0.139 4.879 4.740 -0.001 0.000 0.275 18 N C -2.223 173.136 175.510 -0.251 0.000 1.091 18 N CA -1.942 50.953 53.050 -0.259 0.000 0.843 18 N CB 1.640 39.990 38.487 -0.229 0.000 1.295 18 N HN -0.131 nan 8.380 nan 0.000 0.530 19 P HA 0.047 nan 4.420 nan 0.000 0.234 19 P C 0.991 178.050 177.300 -0.401 0.000 1.167 19 P CA 0.486 63.249 63.100 -0.561 0.000 0.763 19 P CB 0.204 31.057 31.700 -1.412 0.000 0.835 20 G N -0.222 108.385 108.800 -0.322 0.000 2.623 20 G HA2 0.066 4.025 3.960 -0.001 0.000 0.214 20 G HA3 0.066 4.025 3.960 -0.001 0.000 0.214 20 G C 0.368 175.186 174.900 -0.136 0.000 1.138 20 G CA 0.177 45.141 45.100 -0.226 0.000 0.794 20 G HN 0.204 nan 8.290 nan 0.000 0.535 21 V N 1.584 121.436 119.914 -0.104 0.000 2.349 21 V HA 0.329 4.449 4.120 -0.001 0.000 0.284 21 V C 0.765 176.909 176.094 0.085 0.000 1.014 21 V CA 0.088 62.378 62.300 -0.018 0.000 0.826 21 V CB 1.334 33.127 31.823 -0.050 0.000 1.009 21 V HN 0.307 nan 8.190 nan 0.000 0.431 22 T N 0.535 115.140 114.554 0.085 0.000 3.044 22 T HA 0.408 4.757 4.350 -0.001 0.000 0.260 22 T C 0.189 174.942 174.700 0.088 0.000 1.019 22 T CA 0.027 62.184 62.100 0.096 0.000 0.921 22 T CB 0.323 69.202 68.868 0.018 0.000 1.053 22 T HN 0.717 nan 8.240 nan 0.000 0.533 23 Q N 0.270 120.174 119.800 0.173 0.000 2.848 23 Q HA 0.623 4.962 4.340 -0.001 0.000 0.288 23 Q C -2.395 173.741 176.000 0.226 0.000 0.907 23 Q CA -0.988 54.912 55.803 0.162 0.000 0.792 23 Q CB 0.514 29.257 28.738 0.008 0.000 1.534 23 Q HN 0.224 nan 8.270 nan 0.000 0.419 24 L N 1.787 123.165 121.223 0.260 0.000 2.476 24 L HA 0.602 4.941 4.340 -0.001 0.000 0.269 24 L C -0.633 176.354 176.870 0.197 0.000 0.965 24 L CA -0.882 54.108 54.840 0.249 0.000 0.845 24 L CB 1.892 44.202 42.059 0.418 0.000 1.259 24 L HN 0.848 nan 8.230 nan 0.000 0.403 25 N N 0.958 119.740 118.700 0.137 0.000 2.741 25 N HA -0.215 4.525 4.740 -0.001 0.000 0.251 25 N C 0.164 175.732 175.510 0.096 0.000 1.112 25 N CA 0.820 53.939 53.050 0.115 0.000 0.750 25 N CB -0.837 37.691 38.487 0.068 0.000 1.119 25 N HN 0.664 nan 8.380 nan 0.000 0.561 26 R N 0.860 121.331 120.500 -0.048 0.000 2.441 26 R HA 0.410 4.750 4.340 -0.001 0.000 0.284 26 R C 0.557 176.683 176.300 -0.290 0.000 1.070 26 R CA -0.389 55.427 56.100 -0.473 0.000 1.047 26 R CB 0.568 30.602 30.300 -0.444 0.000 1.016 26 R HN 0.128 nan 8.270 nan 0.000 0.477 27 L N 2.833 123.856 121.223 -0.333 0.000 2.466 27 L HA 0.322 4.661 4.340 -0.001 0.000 0.257 27 L C 0.679 177.477 176.870 -0.120 0.000 1.189 27 L CA -0.575 54.176 54.840 -0.149 0.000 0.813 27 L CB 0.727 42.732 42.059 -0.089 0.000 1.118 27 L HN 0.766 nan 8.230 nan 0.000 0.471 28 A N 1.032 123.826 122.820 -0.043 0.000 2.425 28 A HA 0.524 4.843 4.320 -0.001 0.000 0.242 28 A C 0.249 177.811 177.584 -0.037 0.000 1.077 28 A CA -0.018 52.000 52.037 -0.032 0.000 0.781 28 A CB 0.220 19.226 19.000 0.010 0.000 1.020 28 A HN 0.784 nan 8.150 nan 0.000 0.494 29 A N 1.013 123.773 122.820 -0.102 0.000 2.332 29 A HA 0.675 4.994 4.320 -0.001 0.000 0.258 29 A C 0.072 177.544 177.584 -0.187 0.000 1.087 29 A CA 0.485 52.388 52.037 -0.223 0.000 0.802 29 A CB -0.079 18.804 19.000 -0.196 0.000 1.042 29 A HN 1.960 nan 8.150 nan 0.000 0.489 30 H N -2.434 116.473 119.070 -0.271 0.000 2.987 30 H HA 0.610 5.166 4.556 -0.001 0.000 0.316 30 H C -3.454 171.573 175.328 -0.501 0.000 1.380 30 H CA -1.807 54.002 56.048 -0.399 0.000 1.160 30 H CB -0.048 29.356 29.762 -0.596 0.000 1.865 30 H HN 0.371 nan 8.280 nan 0.000 0.521 31 P HA 0.188 nan 4.420 nan 0.000 0.272 31 P C -2.556 174.582 177.300 -0.270 0.000 1.240 31 P CA -1.188 61.694 63.100 -0.362 0.000 0.791 31 P CB -0.166 31.216 31.700 -0.529 0.000 0.978 32 P HA -0.003 nan 4.420 nan 0.000 0.260 32 P C -0.760 176.738 177.300 0.332 0.000 1.172 32 P CA 1.225 64.373 63.100 0.080 0.000 0.760 32 P CB -0.129 31.654 31.700 0.138 0.000 0.773 33 F N 1.561 121.602 119.950 0.152 0.000 2.523 33 F HA 0.600 5.126 4.527 -0.001 0.000 0.329 33 F C 1.022 176.754 175.800 -0.113 0.000 1.061 33 F CA -0.923 57.108 58.000 0.052 0.000 0.967 33 F CB 2.141 41.124 39.000 -0.029 0.000 1.218 33 F HN 0.230 nan 8.300 nan 0.000 0.480 34 A N 0.333 123.075 122.820 -0.129 0.000 2.644 34 A HA 0.203 4.522 4.320 -0.001 0.000 0.193 34 A C 0.579 177.839 177.584 -0.540 0.000 1.464 34 A CA 0.514 52.229 52.037 -0.538 0.000 1.095 34 A CB -0.169 18.023 19.000 -1.346 0.000 1.405 34 A HN 0.769 nan 8.150 nan 0.000 0.558 35 S N 0.501 115.993 115.700 -0.347 0.000 3.524 35 S HA -0.153 4.316 4.470 -0.001 0.000 0.377 35 S C 0.028 174.546 174.600 -0.137 0.000 0.949 35 S CA 0.501 58.567 58.200 -0.223 0.000 1.264 35 S CB -1.635 61.440 63.200 -0.210 0.000 0.918 35 S HN 0.459 nan 8.310 nan 0.000 0.517 36 W N 1.659 122.934 121.300 -0.041 0.000 2.137 36 W HA 0.241 4.901 4.660 -0.001 0.000 0.344 36 W C 1.393 177.888 176.519 -0.040 0.000 1.286 36 W CA -0.529 56.798 57.345 -0.029 0.000 1.240 36 W CB 0.230 29.675 29.460 -0.024 0.000 1.141 36 W HN 0.354 nan 8.180 nan 0.000 0.579 37 R N 1.682 122.305 120.500 0.205 0.000 2.543 37 R HA 0.084 4.424 4.340 -0.001 0.000 0.323 37 R C -0.122 176.230 176.300 0.087 0.000 1.002 37 R CA -0.104 56.057 56.100 0.101 0.000 1.106 37 R CB -0.194 30.134 30.300 0.047 0.000 1.280 37 R HN 0.365 nan 8.270 nan 0.000 0.549 38 N N 0.090 118.855 118.700 0.109 0.000 2.500 38 N HA 0.099 4.839 4.740 -0.001 0.000 0.291 38 N C -0.088 175.400 175.510 -0.037 0.000 1.092 38 N CA 0.025 53.093 53.050 0.031 0.000 0.890 38 N CB 1.727 40.230 38.487 0.026 0.000 1.466 38 N HN -0.253 nan 8.380 nan 0.000 0.507 39 S N 2.269 117.931 115.700 -0.064 0.000 2.400 39 S HA -0.169 4.300 4.470 -0.001 0.000 0.232 39 S C 1.391 175.838 174.600 -0.254 0.000 1.025 39 S CA 1.165 59.287 58.200 -0.129 0.000 0.993 39 S CB 0.019 63.175 63.200 -0.074 0.000 0.808 39 S HN 0.716 nan 8.310 nan 0.000 0.478 40 E N 1.527 121.591 120.200 -0.227 0.000 2.106 40 E HA -0.113 4.236 4.350 -0.001 0.000 0.192 40 E C 1.886 178.278 176.600 -0.346 0.000 0.984 40 E CA 1.029 57.255 56.400 -0.291 0.000 0.806 40 E CB -0.155 29.427 29.700 -0.197 0.000 0.750 40 E HN 0.312 nan 8.360 nan 0.000 0.458 41 E N -0.068 119.940 120.200 -0.319 0.000 2.150 41 E HA -0.083 4.266 4.350 -0.001 0.000 0.193 41 E C 1.904 177.943 176.600 -0.935 0.000 0.985 41 E CA 1.017 57.186 56.400 -0.384 0.000 0.814 41 E CB -0.332 29.293 29.700 -0.126 0.000 0.752 41 E HN 0.357 nan 8.360 nan 0.000 0.466 42 A N 1.437 123.544 122.820 -1.188 0.000 1.897 42 A HA -0.144 4.176 4.320 -0.001 0.000 0.215 42 A C 2.226 179.209 177.584 -1.001 0.000 1.181 42 A CA 1.399 52.381 52.037 -1.759 0.000 0.620 42 A CB -0.398 18.073 19.000 -0.882 0.000 0.821 42 A HN 0.114 nan 8.150 nan 0.000 0.443 43 R N -0.059 120.043 120.500 -0.664 0.000 2.081 43 R HA -0.128 4.211 4.340 -0.001 0.000 0.235 43 R C 2.086 178.123 176.300 -0.439 0.000 1.131 43 R CA 2.107 57.871 56.100 -0.559 0.000 0.960 43 R CB -0.485 29.360 30.300 -0.759 0.000 0.856 43 R HN 0.608 nan 8.270 nan 0.000 0.436 44 T N -2.464 111.847 114.554 -0.406 0.000 3.113 44 T HA -0.016 4.333 4.350 -0.001 0.000 0.256 44 T C 0.403 174.995 174.700 -0.181 0.000 1.131 44 T CA 0.705 62.653 62.100 -0.253 0.000 1.074 44 T CB -0.090 68.657 68.868 -0.200 0.000 0.944 44 T HN 0.434 nan 8.240 nan 0.000 0.516 45 D N 0.600 120.832 120.400 -0.280 0.000 2.870 45 D HA -0.167 4.472 4.640 -0.001 0.000 0.228 45 D C 0.089 176.467 176.300 0.131 0.000 1.147 45 D CA 0.439 54.394 54.000 -0.075 0.000 0.757 45 D CB -1.159 39.665 40.800 0.040 0.000 1.091 45 D HN 0.588 nan 8.370 nan 0.000 0.429 46 R N -0.143 120.407 120.500 0.083 0.000 2.580 46 R HA 0.520 4.859 4.340 -0.001 0.000 0.267 46 R C -2.058 174.474 176.300 0.387 0.000 1.125 46 R CA -1.414 54.792 56.100 0.177 0.000 1.188 46 R CB 0.159 30.510 30.300 0.086 0.000 1.155 46 R HN 0.071 nan 8.270 nan 0.000 0.586 47 P HA -0.061 nan 4.420 nan 0.000 0.267 47 P C -0.882 176.595 177.300 0.295 0.000 1.201 47 P CA 0.336 63.582 63.100 0.243 0.000 0.775 47 P CB 0.654 32.443 31.700 0.149 0.000 0.854 48 S N 1.126 116.885 115.700 0.099 0.000 2.473 48 S HA 0.145 4.614 4.470 -0.001 0.000 0.307 48 S C 0.821 175.429 174.600 0.013 0.000 1.094 48 S CA -0.573 57.601 58.200 -0.044 0.000 1.070 48 S CB 0.571 63.398 63.200 -0.620 0.000 1.019 48 S HN 0.218 nan 8.310 nan 0.000 0.480 49 Q N 2.699 122.539 119.800 0.066 0.000 2.437 49 Q HA -0.010 4.330 4.340 -0.001 0.000 0.210 49 Q C 0.821 176.913 176.000 0.155 0.000 0.972 49 Q CA 1.016 56.888 55.803 0.116 0.000 0.903 49 Q CB -0.102 28.704 28.738 0.113 0.000 0.967 49 Q HN 0.683 nan 8.270 nan 0.000 0.486 50 Q N -0.314 119.489 119.800 0.004 0.000 2.360 50 Q HA 0.130 4.469 4.340 -0.001 0.000 0.202 50 Q C -0.270 175.745 176.000 0.025 0.000 0.915 50 Q CA 0.130 55.863 55.803 -0.116 0.000 0.943 50 Q CB 0.473 29.077 28.738 -0.223 0.000 1.064 50 Q HN 0.053 nan 8.270 nan 0.000 0.511 51 L N 0.891 122.163 121.223 0.082 0.000 2.353 51 L HA 0.423 4.763 4.340 -0.001 0.000 0.270 51 L C -1.116 175.841 176.870 0.144 0.000 1.003 51 L CA -0.317 54.581 54.840 0.097 0.000 0.862 51 L CB 0.881 42.909 42.059 -0.051 0.000 1.221 51 L HN -0.117 nan 8.230 nan 0.000 0.430 52 R N 2.153 122.777 120.500 0.208 0.000 2.540 52 R HA 0.606 4.945 4.340 -0.001 0.000 0.287 52 R C -0.411 175.903 176.300 0.023 0.000 0.980 52 R CA -0.627 55.529 56.100 0.093 0.000 0.966 52 R CB 1.848 32.154 30.300 0.010 0.000 1.106 52 R HN 0.625 nan 8.270 nan 0.000 0.480 53 S N 2.110 117.813 115.700 0.006 0.000 2.480 53 S HA 0.280 4.750 4.470 -0.001 0.000 0.286 53 S C 0.522 175.109 174.600 -0.023 0.000 1.180 53 S CA -0.709 57.486 58.200 -0.008 0.000 1.075 53 S CB 0.563 63.773 63.200 0.015 0.000 0.996 53 S HN 0.564 nan 8.310 nan 0.000 0.487 54 L N 3.660 124.866 121.223 -0.028 0.000 2.741 54 L HA 0.301 4.640 4.340 -0.001 0.000 0.237 54 L C 0.129 177.146 176.870 0.245 0.000 1.178 54 L CA -0.371 54.474 54.840 0.009 0.000 0.973 54 L CB -0.363 41.638 42.059 -0.097 0.000 1.255 54 L HN 0.523 nan 8.230 nan 0.000 0.498 55 N N 1.209 119.996 118.700 0.145 0.000 2.482 55 N HA 0.515 5.254 4.740 -0.001 0.000 0.260 55 N C 0.638 176.275 175.510 0.211 0.000 1.236 55 N CA 0.881 54.023 53.050 0.153 0.000 0.938 55 N CB 1.399 39.909 38.487 0.038 0.000 1.128 55 N HN 0.285 nan 8.380 nan 0.000 0.448 56 G N 0.372 109.315 108.800 0.238 0.000 2.288 56 G HA2 -0.075 3.885 3.960 -0.001 0.000 0.227 56 G HA3 -0.075 3.885 3.960 -0.001 0.000 0.227 56 G C -1.586 173.523 174.900 0.348 0.000 1.339 56 G CA -0.794 44.444 45.100 0.230 0.000 1.057 56 G HN 0.462 nan 8.290 nan 0.000 0.470 57 E N 0.103 120.484 120.200 0.302 0.000 2.223 57 E HA 0.451 4.801 4.350 -0.001 0.000 0.282 57 E C -0.953 175.913 176.600 0.444 0.000 1.046 57 E CA -0.116 56.475 56.400 0.319 0.000 0.857 57 E CB 1.071 30.880 29.700 0.181 0.000 1.055 57 E HN 0.349 nan 8.360 nan 0.000 0.409 58 W N 1.550 122.947 121.300 0.161 0.000 2.894 58 W HA 0.395 5.054 4.660 -0.001 0.000 0.345 58 W C 0.120 176.775 176.519 0.225 0.000 1.152 58 W CA -0.763 56.711 57.345 0.214 0.000 1.089 58 W CB 0.782 30.425 29.460 0.304 0.000 1.454 58 W HN 0.167 nan 8.180 nan 0.000 0.589 59 R N 1.624 122.421 120.500 0.496 0.000 2.346 59 R HA 0.500 4.840 4.340 -0.001 0.000 0.311 59 R C -1.462 175.089 176.300 0.420 0.000 0.983 59 R CA -0.832 55.488 56.100 0.367 0.000 0.880 59 R CB 0.948 31.414 30.300 0.277 0.000 1.100 59 R HN 0.413 nan 8.270 nan 0.000 0.453 60 F N 0.960 120.958 119.950 0.079 0.000 2.565 60 F HA 0.673 5.200 4.527 -0.001 0.000 0.313 60 F C -1.319 174.350 175.800 -0.218 0.000 1.091 60 F CA -0.783 57.111 58.000 -0.178 0.000 0.915 60 F CB 2.009 40.786 39.000 -0.372 0.000 1.208 60 F HN 0.600 nan 8.300 nan 0.000 0.453 61 A N 4.816 126.839 122.820 -1.327 0.000 2.427 61 A HA 0.528 4.848 4.320 -0.001 0.000 0.298 61 A C -2.358 174.410 177.584 -1.360 0.000 1.036 61 A CA -0.489 50.947 52.037 -1.002 0.000 0.701 61 A CB 0.541 19.298 19.000 -0.405 0.000 1.250 61 A HN 0.924 nan 8.150 nan 0.000 0.412 62 W N 3.009 123.568 121.300 -1.234 0.000 2.417 62 W HA 0.753 5.412 4.660 -0.001 0.000 0.317 62 W C -1.804 174.238 176.519 -0.796 0.000 1.121 62 W CA -0.299 56.493 57.345 -0.921 0.000 1.208 62 W CB 0.989 30.151 29.460 -0.497 0.000 1.253 62 W HN 0.483 nan 8.180 nan 0.000 0.533 63 F N 6.450 125.620 119.950 -1.300 0.000 2.576 63 F HA 0.351 4.878 4.527 -0.001 0.000 0.313 63 F C -1.250 173.604 175.800 -1.578 0.000 1.078 63 F CA -2.361 55.005 58.000 -1.057 0.000 0.921 63 F CB 1.878 40.466 39.000 -0.686 0.000 1.232 63 F HN 0.221 nan 8.300 nan 0.000 0.459 64 P HA 0.098 nan 4.420 nan 0.000 0.233 64 P C -0.299 176.866 177.300 -0.225 0.000 1.167 64 P CA 0.880 63.693 63.100 -0.478 0.000 0.770 64 P CB 0.776 32.462 31.700 -0.024 0.000 0.837 65 A N -0.261 122.431 122.820 -0.213 0.000 2.599 65 A HA 0.484 4.803 4.320 -0.001 0.000 0.294 65 A C -2.427 175.050 177.584 -0.178 0.000 1.055 65 A CA -0.968 50.994 52.037 -0.124 0.000 0.683 65 A CB 0.482 19.477 19.000 -0.009 0.000 1.278 65 A HN -0.270 nan 8.150 nan 0.000 0.412 66 P HA -0.152 nan 4.420 nan 0.000 0.218 66 P C 0.613 177.824 177.300 -0.148 0.000 1.148 66 P CA 1.561 64.522 63.100 -0.231 0.000 0.822 66 P CB 0.219 31.745 31.700 -0.289 0.000 0.784 67 E N 0.120 120.298 120.200 -0.037 0.000 2.463 67 E HA -0.010 4.339 4.350 -0.001 0.000 0.201 67 E C 1.802 178.366 176.600 -0.060 0.000 1.045 67 E CA 0.942 57.336 56.400 -0.010 0.000 0.872 67 E CB -0.699 29.029 29.700 0.047 0.000 0.797 67 E HN 0.292 nan 8.360 nan 0.000 0.538 68 A N 0.247 123.002 122.820 -0.109 0.000 2.387 68 A HA 0.181 4.500 4.320 -0.001 0.000 0.234 68 A C 0.353 177.784 177.584 -0.255 0.000 1.253 68 A CA -0.292 51.704 52.037 -0.067 0.000 0.894 68 A CB 0.452 19.484 19.000 0.053 0.000 0.963 68 A HN 0.037 nan 8.150 nan 0.000 0.508 69 V N 3.463 123.062 119.914 -0.525 0.000 2.385 69 V HA 0.233 4.353 4.120 -0.001 0.000 0.269 69 V C -2.014 173.820 176.094 -0.432 0.000 1.043 69 V CA -1.589 60.160 62.300 -0.919 0.000 0.906 69 V CB 0.754 32.026 31.823 -0.918 0.000 0.995 69 V HN 0.406 nan 8.190 nan 0.000 0.467 70 P HA 0.097 nan 4.420 nan 0.000 0.271 70 P C 0.579 177.846 177.300 -0.054 0.000 1.220 70 P CA -0.066 62.976 63.100 -0.097 0.000 0.768 70 P CB 1.371 33.071 31.700 -0.001 0.000 0.848 71 E N 3.853 124.021 120.200 -0.053 0.000 2.130 71 E HA -0.253 4.097 4.350 -0.001 0.000 0.196 71 E C 1.756 178.330 176.600 -0.043 0.000 0.998 71 E CA 2.345 58.709 56.400 -0.061 0.000 0.806 71 E CB -0.843 28.824 29.700 -0.054 0.000 0.738 71 E HN 0.461 nan 8.360 nan 0.000 0.459 72 S N -0.671 115.026 115.700 -0.005 0.000 2.402 72 S HA -0.236 4.234 4.470 -0.001 0.000 0.233 72 S C 1.926 176.536 174.600 0.017 0.000 1.030 72 S CA 1.154 59.355 58.200 0.003 0.000 1.003 72 S CB -1.234 61.982 63.200 0.027 0.000 0.813 72 S HN 0.620 nan 8.310 nan 0.000 0.477 73 W N 2.366 123.581 121.300 -0.142 0.000 2.325 73 W HA -0.069 4.591 4.660 -0.001 0.000 0.299 73 W C 1.770 178.183 176.519 -0.177 0.000 1.215 73 W CA 1.362 58.617 57.345 -0.149 0.000 1.244 73 W CB -0.472 28.865 29.460 -0.206 0.000 1.140 73 W HN 0.311 nan 8.180 nan 0.000 0.523 74 L N 0.121 121.099 121.223 -0.408 0.000 2.093 74 L HA -0.174 4.166 4.340 -0.001 0.000 0.208 74 L C 2.541 179.180 176.870 -0.385 0.000 1.085 74 L CA 1.289 55.750 54.840 -0.632 0.000 0.755 74 L CB -0.814 40.891 42.059 -0.590 0.000 0.904 74 L HN -0.048 nan 8.230 nan 0.000 0.435 75 E N -0.307 119.755 120.200 -0.231 0.000 2.042 75 E HA -0.024 4.326 4.350 -0.001 0.000 0.189 75 E C 0.753 177.277 176.600 -0.127 0.000 0.974 75 E CA 0.876 57.191 56.400 -0.140 0.000 0.806 75 E CB 0.102 29.752 29.700 -0.084 0.000 0.769 75 E HN 0.528 nan 8.360 nan 0.000 0.451 76 C N 0.055 119.291 119.300 -0.107 0.000 3.090 76 C HA 0.555 5.014 4.460 -0.001 0.000 0.305 76 C C 0.003 174.976 174.990 -0.028 0.000 1.292 76 C CA -1.544 57.433 59.018 -0.068 0.000 1.482 76 C CB 1.308 29.029 27.740 -0.032 0.000 1.897 76 C HN 0.186 nan 8.230 nan 0.000 0.469 77 D N 0.361 120.763 120.400 0.004 0.000 2.443 77 D HA 0.233 4.872 4.640 -0.001 0.000 0.234 77 D C -0.429 175.946 176.300 0.125 0.000 1.172 77 D CA 0.385 54.434 54.000 0.082 0.000 0.878 77 D CB 0.469 41.311 40.800 0.069 0.000 1.204 77 D HN 0.616 nan 8.370 nan 0.000 0.453 78 L N 4.949 126.289 121.223 0.195 0.000 2.265 78 L HA 0.288 4.627 4.340 -0.001 0.000 0.288 78 L C -1.088 175.841 176.870 0.098 0.000 1.058 78 L CA -1.499 53.434 54.840 0.156 0.000 0.809 78 L CB 1.616 43.785 42.059 0.184 0.000 1.179 78 L HN 0.527 nan 8.230 nan 0.000 0.429 79 P HA -0.201 nan 4.420 nan 0.000 0.218 79 P C 0.802 178.126 177.300 0.041 0.000 1.149 79 P CA 1.202 64.332 63.100 0.049 0.000 0.817 79 P CB 0.187 31.909 31.700 0.037 0.000 0.785 80 E N 0.266 120.484 120.200 0.030 0.000 2.427 80 E HA 0.041 4.390 4.350 -0.001 0.000 0.196 80 E C 0.896 177.501 176.600 0.008 0.000 1.028 80 E CA 0.041 56.446 56.400 0.008 0.000 0.864 80 E CB -0.668 29.020 29.700 -0.021 0.000 0.813 80 E HN 0.095 nan 8.360 nan 0.000 0.514 81 A N 1.418 124.253 122.820 0.026 0.000 2.386 81 A HA 0.153 4.472 4.320 -0.001 0.000 0.246 81 A C -0.028 177.605 177.584 0.083 0.000 1.089 81 A CA -0.135 51.919 52.037 0.030 0.000 0.790 81 A CB 0.351 19.391 19.000 0.066 0.000 1.042 81 A HN 0.121 nan 8.150 nan 0.000 0.497 82 D N -0.632 119.846 120.400 0.130 0.000 2.506 82 D HA 0.510 5.149 4.640 -0.001 0.000 0.254 82 D C -0.839 175.574 176.300 0.188 0.000 1.089 82 D CA -0.061 54.039 54.000 0.165 0.000 1.050 82 D CB 1.390 42.332 40.800 0.235 0.000 1.221 82 D HN 0.386 nan 8.370 nan 0.000 0.589 83 T N 0.712 115.363 114.554 0.162 0.000 2.788 83 T HA 0.460 4.809 4.350 -0.001 0.000 0.296 83 T C 0.031 174.820 174.700 0.150 0.000 1.009 83 T CA -0.602 61.600 62.100 0.170 0.000 0.949 83 T CB 0.619 69.563 68.868 0.127 0.000 0.946 83 T HN 0.266 nan 8.240 nan 0.000 0.453 84 V N 1.550 121.584 119.914 0.200 0.000 2.960 84 V HA 0.815 4.934 4.120 -0.001 0.000 0.315 84 V C -0.033 176.185 176.094 0.206 0.000 1.087 84 V CA -1.017 61.360 62.300 0.128 0.000 0.982 84 V CB 1.583 33.490 31.823 0.139 0.000 1.039 84 V HN 0.483 nan 8.190 nan 0.000 0.437 85 V N 2.384 122.398 119.914 0.166 0.000 2.775 85 V HA 0.520 4.639 4.120 -0.001 0.000 0.299 85 V C 0.104 176.273 176.094 0.125 0.000 1.062 85 V CA -0.058 62.335 62.300 0.156 0.000 1.063 85 V CB 1.311 33.196 31.823 0.102 0.000 0.994 85 V HN 0.778 nan 8.190 nan 0.000 0.483 86 V N 5.632 125.542 119.914 -0.008 0.000 2.760 86 V HA 0.445 4.564 4.120 -0.001 0.000 0.309 86 V C -2.324 173.654 176.094 -0.193 0.000 1.077 86 V CA -1.571 60.589 62.300 -0.233 0.000 0.910 86 V CB 2.481 33.829 31.823 -0.791 0.000 1.008 86 V HN 0.777 nan 8.190 nan 0.000 0.424 87 P HA 0.384 nan 4.420 nan 0.000 0.272 87 P C -0.679 176.540 177.300 -0.136 0.000 1.230 87 P CA 0.071 63.039 63.100 -0.220 0.000 0.788 87 P CB 1.437 33.018 31.700 -0.199 0.000 0.949 88 S N 0.178 115.805 115.700 -0.121 0.000 2.611 88 S HA 0.349 4.819 4.470 -0.001 0.000 0.270 88 S C -1.376 173.132 174.600 -0.153 0.000 1.131 88 S CA -1.056 57.057 58.200 -0.145 0.000 0.826 88 S CB 0.185 63.257 63.200 -0.214 0.000 1.095 88 S HN 0.409 nan 8.310 nan 0.000 0.461 89 N N 1.000 119.553 118.700 -0.244 0.000 2.421 89 N HA 0.479 5.218 4.740 -0.001 0.000 0.285 89 N C 0.479 175.801 175.510 -0.314 0.000 1.027 89 N CA -0.792 52.082 53.050 -0.292 0.000 0.918 89 N CB 0.672 38.960 38.487 -0.331 0.000 1.152 89 N HN 0.867 nan 8.380 nan 0.000 0.485 90 W N 1.844 122.989 121.300 -0.258 0.000 2.525 90 W HA 0.012 4.671 4.660 -0.001 0.000 0.259 90 W C 0.859 177.354 176.519 -0.040 0.000 1.253 90 W CA 0.391 57.581 57.345 -0.259 0.000 1.262 90 W CB -0.324 28.951 29.460 -0.308 0.000 1.122 90 W HN 0.489 nan 8.180 nan 0.000 0.607 91 Q N 0.588 120.376 119.800 -0.019 0.000 2.224 91 Q HA -0.084 4.255 4.340 -0.001 0.000 0.203 91 Q C 2.123 178.090 176.000 -0.055 0.000 0.970 91 Q CA 1.541 57.337 55.803 -0.013 0.000 0.865 91 Q CB -0.550 28.064 28.738 -0.207 0.000 0.922 91 Q HN 0.263 nan 8.270 nan 0.000 0.445 92 M N -0.893 118.633 119.600 -0.124 0.000 2.557 92 M HA -0.037 4.442 4.480 -0.001 0.000 0.259 92 M C 0.768 177.134 176.300 0.110 0.000 1.086 92 M CA 1.354 56.604 55.300 -0.084 0.000 1.096 92 M CB -0.569 31.946 32.600 -0.142 0.000 1.424 92 M HN 0.389 nan 8.290 nan 0.000 0.488 93 H N -1.034 118.092 119.070 0.092 0.000 2.575 93 H HA 0.267 4.822 4.556 -0.001 0.000 0.267 93 H C 1.368 176.673 175.328 -0.040 0.000 0.966 93 H CA 0.215 56.326 56.048 0.104 0.000 1.165 93 H CB 0.576 30.511 29.762 0.289 0.000 1.433 93 H HN 0.544 nan 8.280 nan 0.000 0.544 94 G N 0.387 109.244 108.800 0.095 0.000 2.176 94 G HA2 -0.343 3.617 3.960 -0.001 0.000 0.232 94 G HA3 -0.343 3.617 3.960 -0.001 0.000 0.232 94 G C 0.427 175.206 174.900 -0.202 0.000 0.986 94 G CA 0.218 45.275 45.100 -0.072 0.000 0.643 94 G HN 0.420 nan 8.290 nan 0.000 0.522 95 Y N 1.873 122.180 120.300 0.011 0.000 2.224 95 Y HA 0.212 4.761 4.550 -0.001 0.000 0.289 95 Y C 1.754 177.367 175.900 -0.479 0.000 1.146 95 Y CA 1.871 59.836 58.100 -0.225 0.000 1.182 95 Y CB 0.070 38.472 38.460 -0.096 0.000 0.983 95 Y HN 0.692 nan 8.280 nan 0.000 0.524 96 D N -2.264 118.137 120.400 0.001 0.000 2.677 96 D HA 0.531 5.170 4.640 -0.001 0.000 0.298 96 D C -1.251 175.109 176.300 0.099 0.000 1.250 96 D CA -0.815 53.182 54.000 -0.005 0.000 0.888 96 D CB 0.789 41.685 40.800 0.160 0.000 1.397 96 D HN -0.033 nan 8.370 nan 0.000 0.461 97 A N -0.010 122.880 122.820 0.118 0.000 2.310 97 A HA 0.713 5.032 4.320 -0.001 0.000 0.299 97 A C -2.337 175.276 177.584 0.050 0.000 1.147 97 A CA -1.292 50.807 52.037 0.104 0.000 0.818 97 A CB 0.302 19.426 19.000 0.205 0.000 1.096 97 A HN 0.556 nan 8.150 nan 0.000 0.495 98 P HA 0.417 nan 4.420 nan 0.000 0.278 98 P C -0.934 176.509 177.300 0.238 0.000 1.238 98 P CA 0.058 63.096 63.100 -0.103 0.000 0.794 98 P CB 0.924 32.300 31.700 -0.540 0.000 0.955 99 I N 2.859 123.655 120.570 0.377 0.000 2.404 99 I HA 0.252 4.421 4.170 -0.001 0.000 0.293 99 I C -0.428 175.874 176.117 0.308 0.000 0.992 99 I CA -1.004 60.522 61.300 0.376 0.000 1.149 99 I CB 1.478 39.645 38.000 0.277 0.000 1.315 99 I HN 0.314 nan 8.210 nan 0.000 0.446 100 Y N 6.103 126.357 120.300 -0.076 0.000 2.417 100 Y HA 0.507 5.057 4.550 -0.001 0.000 0.336 100 Y C -0.316 175.426 175.900 -0.264 0.000 0.961 100 Y CA -0.519 57.277 58.100 -0.506 0.000 1.215 100 Y CB 1.199 38.884 38.460 -1.292 0.000 1.120 100 Y HN 0.541 nan 8.280 nan 0.000 0.499 101 T N 5.410 119.412 114.554 -0.921 0.000 2.893 101 T HA 0.265 4.614 4.350 -0.001 0.000 0.293 101 T C 0.125 174.340 174.700 -0.809 0.000 1.027 101 T CA -0.606 61.007 62.100 -0.811 0.000 0.988 101 T CB 1.121 69.755 68.868 -0.389 0.000 1.043 101 T HN 0.759 nan 8.240 nan 0.000 0.461 102 N N 2.712 120.986 118.700 -0.710 0.000 2.220 102 N HA 0.043 4.782 4.740 -0.001 0.000 0.193 102 N C 1.606 176.862 175.510 -0.423 0.000 1.052 102 N CA 1.578 54.357 53.050 -0.453 0.000 0.898 102 N CB -0.629 37.623 38.487 -0.392 0.000 1.080 102 N HN 0.407 nan 8.380 nan 0.000 0.467 103 V N 0.518 120.114 119.914 -0.530 0.000 2.341 103 V HA 0.070 4.190 4.120 -0.001 0.000 0.240 103 V C 0.511 176.286 176.094 -0.532 0.000 1.035 103 V CA 0.950 62.852 62.300 -0.663 0.000 1.033 103 V CB -0.975 30.343 31.823 -0.843 0.000 0.678 103 V HN 0.341 nan 8.190 nan 0.000 0.464 104 T N 1.002 115.308 114.554 -0.412 0.000 2.905 104 T HA 0.050 4.399 4.350 -0.001 0.000 0.299 104 T C -0.352 174.191 174.700 -0.262 0.000 1.024 104 T CA 0.397 62.330 62.100 -0.279 0.000 1.151 104 T CB -0.305 68.434 68.868 -0.215 0.000 0.987 104 T HN 0.182 nan 8.240 nan 0.000 0.535 105 Y N 4.666 124.843 120.300 -0.205 0.000 2.578 105 Y HA 0.122 4.671 4.550 -0.001 0.000 0.339 105 Y C -0.652 175.096 175.900 -0.253 0.000 1.231 105 Y CA -1.640 56.322 58.100 -0.230 0.000 1.461 105 Y CB 0.436 38.738 38.460 -0.263 0.000 1.323 105 Y HN 0.511 nan 8.280 nan 0.000 0.590 106 P HA -0.013 nan 4.420 nan 0.000 0.237 106 P C -0.336 176.740 177.300 -0.374 0.000 1.178 106 P CA 1.137 64.115 63.100 -0.204 0.000 0.766 106 P CB 0.096 31.721 31.700 -0.126 0.000 0.876 107 I N -5.263 115.055 120.570 -0.419 0.000 2.934 107 I HA 0.478 4.647 4.170 -0.001 0.000 0.306 107 I C -0.669 175.300 176.117 -0.247 0.000 1.110 107 I CA -1.212 59.825 61.300 -0.438 0.000 1.019 107 I CB 1.930 39.515 38.000 -0.692 0.000 1.227 107 I HN -0.464 nan 8.210 nan 0.000 0.434 108 T N 3.015 117.476 114.554 -0.155 0.000 2.934 108 T HA 0.122 4.472 4.350 -0.001 0.000 0.306 108 T C 0.264 174.928 174.700 -0.060 0.000 1.042 108 T CA -0.157 61.899 62.100 -0.073 0.000 1.145 108 T CB 0.531 69.386 68.868 -0.023 0.000 0.982 108 T HN 0.384 nan 8.240 nan 0.000 0.544 109 V N 5.000 124.891 119.914 -0.039 0.000 2.364 109 V HA 0.181 4.300 4.120 -0.001 0.000 0.252 109 V C 0.741 176.891 176.094 0.093 0.000 1.075 109 V CA -0.107 62.194 62.300 0.001 0.000 1.033 109 V CB -0.479 31.333 31.823 -0.019 0.000 1.116 109 V HN 0.850 nan 8.190 nan 0.000 0.488 110 N N 5.768 124.593 118.700 0.209 0.000 2.673 110 N HA 0.252 4.991 4.740 -0.001 0.000 0.265 110 N C -2.720 172.884 175.510 0.157 0.000 1.709 110 N CA -1.249 51.911 53.050 0.182 0.000 0.792 110 N CB 1.418 40.025 38.487 0.200 0.000 1.286 110 N HN 0.305 nan 8.380 nan 0.000 0.506 111 P HA 0.115 nan 4.420 nan 0.000 0.265 111 P C -2.114 174.985 177.300 -0.336 0.000 1.187 111 P CA -0.552 62.151 63.100 -0.662 0.000 0.766 111 P CB 0.905 32.161 31.700 -0.740 0.000 0.820 112 P HA 0.140 nan 4.420 nan 0.000 0.262 112 P C -0.021 177.096 177.300 -0.305 0.000 1.304 112 P CA -0.197 62.606 63.100 -0.495 0.000 0.859 112 P CB 0.096 31.523 31.700 -0.455 0.000 1.310 113 F N 1.438 121.426 119.950 0.063 0.000 2.496 113 F HA 0.190 4.716 4.527 -0.001 0.000 0.344 113 F C 1.485 177.457 175.800 0.286 0.000 1.155 113 F CA -0.380 57.712 58.000 0.153 0.000 1.302 113 F CB 0.257 39.308 39.000 0.084 0.000 1.159 113 F HN -0.190 nan 8.300 nan 0.000 0.595 114 V N -0.815 119.379 119.914 0.467 0.000 3.155 114 V HA 0.708 4.827 4.120 -0.001 0.000 0.313 114 V C -2.811 173.458 176.094 0.292 0.000 1.162 114 V CA -2.952 59.558 62.300 0.350 0.000 1.048 114 V CB 1.439 33.526 31.823 0.440 0.000 1.092 114 V HN 0.478 nan 8.190 nan 0.000 0.447 115 P HA 0.219 nan 4.420 nan 0.000 0.269 115 P C 1.030 178.481 177.300 0.251 0.000 1.209 115 P CA 0.546 63.757 63.100 0.185 0.000 0.776 115 P CB 0.696 32.479 31.700 0.138 0.000 0.876 116 T N -1.376 113.297 114.554 0.198 0.000 2.867 116 T HA -0.144 4.206 4.350 -0.001 0.000 0.268 116 T C 0.741 175.552 174.700 0.185 0.000 1.057 116 T CA 0.838 63.056 62.100 0.198 0.000 1.136 116 T CB -0.488 68.462 68.868 0.137 0.000 0.874 116 T HN 0.419 nan 8.240 nan 0.000 0.466 117 E N 2.212 122.520 120.200 0.181 0.000 1.856 117 E HA 0.188 4.538 4.350 -0.001 0.000 0.263 117 E C -0.759 175.991 176.600 0.250 0.000 1.137 117 E CA -0.417 56.092 56.400 0.181 0.000 1.007 117 E CB -0.234 29.574 29.700 0.180 0.000 1.117 117 E HN 0.290 nan 8.360 nan 0.000 0.438 118 N N 4.358 123.184 118.700 0.210 0.000 2.558 118 N HA 0.257 4.997 4.740 -0.001 0.000 0.242 118 N C -2.804 172.749 175.510 0.072 0.000 0.979 118 N CA -2.453 50.751 53.050 0.257 0.000 0.931 118 N CB 1.084 39.712 38.487 0.236 0.000 1.122 118 N HN 0.105 nan 8.380 nan 0.000 0.508 119 P HA -0.041 nan 4.420 nan 0.000 0.261 119 P C -0.952 176.272 177.300 -0.128 0.000 1.165 119 P CA 0.641 63.731 63.100 -0.015 0.000 0.759 119 P CB 0.410 32.399 31.700 0.482 0.000 0.772 120 T N 2.750 116.979 114.554 -0.542 0.000 2.840 120 T HA 0.532 4.882 4.350 -0.001 0.000 0.287 120 T C 0.188 174.452 174.700 -0.727 0.000 0.991 120 T CA -0.588 61.253 62.100 -0.432 0.000 0.964 120 T CB 1.511 70.137 68.868 -0.404 0.000 0.954 120 T HN 0.343 nan 8.240 nan 0.000 0.438 121 G N 1.017 109.453 108.800 -0.606 0.000 2.319 121 G HA2 0.469 4.429 3.960 -0.001 0.000 0.308 121 G HA3 0.469 4.429 3.960 -0.001 0.000 0.308 121 G C -0.233 174.491 174.900 -0.294 0.000 1.117 121 G CA -0.350 44.317 45.100 -0.721 0.000 0.903 121 G HN 0.864 nan 8.290 nan 0.000 0.436 122 C N 3.472 122.369 119.300 -0.672 0.000 2.225 122 C HA 0.438 4.897 4.460 -0.001 0.000 0.323 122 C C -0.436 174.546 174.990 -0.013 0.000 1.164 122 C CA -1.012 57.704 59.018 -0.504 0.000 1.565 122 C CB -1.776 25.191 27.740 -1.287 0.000 2.124 122 C HN 0.631 nan 8.230 nan 0.000 0.461 123 Y N 1.907 122.510 120.300 0.504 0.000 2.376 123 Y HA 0.625 5.174 4.550 -0.001 0.000 0.325 123 Y C 0.888 177.265 175.900 0.795 0.000 1.199 123 Y CA -0.106 58.408 58.100 0.691 0.000 1.206 123 Y CB 1.259 40.120 38.460 0.669 0.000 1.229 123 Y HN 0.655 nan 8.280 nan 0.000 0.480 124 S N 1.948 118.144 115.700 0.826 0.000 2.537 124 S HA 0.736 5.206 4.470 -0.001 0.000 0.271 124 S C -1.988 172.707 174.600 0.158 0.000 1.148 124 S CA -0.809 57.653 58.200 0.437 0.000 0.868 124 S CB 1.858 65.244 63.200 0.309 0.000 1.115 124 S HN 0.612 nan 8.310 nan 0.000 0.461 125 L N 1.052 122.194 121.223 -0.136 0.000 2.482 125 L HA 0.779 5.118 4.340 -0.001 0.000 0.263 125 L C -1.116 175.711 176.870 -0.072 0.000 0.957 125 L CA 0.110 54.726 54.840 -0.374 0.000 0.836 125 L CB 2.365 43.696 42.059 -1.213 0.000 1.324 125 L HN 0.914 nan 8.230 nan 0.000 0.406 126 T N 5.675 120.200 114.554 -0.048 0.000 2.772 126 T HA 0.704 5.053 4.350 -0.001 0.000 0.288 126 T C -0.821 173.888 174.700 0.015 0.000 0.994 126 T CA -0.032 62.043 62.100 -0.041 0.000 0.951 126 T CB 0.118 68.945 68.868 -0.068 0.000 0.933 126 T HN 0.442 nan 8.240 nan 0.000 0.447 127 F N 1.148 120.999 119.950 -0.165 0.000 2.650 127 F HA 0.787 5.313 4.527 -0.001 0.000 0.320 127 F C -0.621 175.100 175.800 -0.131 0.000 1.091 127 F CA -1.550 56.356 58.000 -0.157 0.000 0.962 127 F CB 1.301 40.185 39.000 -0.193 0.000 1.363 127 F HN 0.324 nan 8.300 nan 0.000 0.482 128 N N 0.107 118.760 118.700 -0.078 0.000 2.487 128 N HA 0.665 5.404 4.740 -0.001 0.000 0.292 128 N C -1.905 173.536 175.510 -0.115 0.000 1.108 128 N CA -0.453 52.502 53.050 -0.159 0.000 0.956 128 N CB 1.905 40.334 38.487 -0.098 0.000 1.176 128 N HN 0.635 nan 8.380 nan 0.000 0.484 129 V N 1.964 121.771 119.914 -0.178 0.000 2.569 129 V HA 0.224 4.344 4.120 -0.001 0.000 0.301 129 V C -0.670 175.325 176.094 -0.165 0.000 1.044 129 V CA -0.931 61.254 62.300 -0.192 0.000 0.874 129 V CB 1.396 33.159 31.823 -0.100 0.000 1.002 129 V HN 0.788 nan 8.190 nan 0.000 0.424 130 D N 2.408 122.669 120.400 -0.231 0.000 2.382 130 D HA 0.124 4.763 4.640 -0.001 0.000 0.245 130 D C 1.183 177.500 176.300 0.029 0.000 1.120 130 D CA 0.081 54.028 54.000 -0.088 0.000 0.890 130 D CB 1.421 42.185 40.800 -0.061 0.000 1.201 130 D HN 0.714 nan 8.370 nan 0.000 0.433 131 E N 1.827 122.053 120.200 0.042 0.000 2.130 131 E HA -0.243 4.107 4.350 -0.001 0.000 0.196 131 E C 1.692 178.364 176.600 0.119 0.000 0.998 131 E CA 1.988 58.429 56.400 0.070 0.000 0.806 131 E CB -0.310 29.416 29.700 0.042 0.000 0.738 131 E HN 0.464 nan 8.360 nan 0.000 0.459 132 S N -0.755 115.026 115.700 0.135 0.000 2.374 132 S HA -0.209 4.260 4.470 -0.001 0.000 0.227 132 S C 1.882 176.576 174.600 0.156 0.000 1.037 132 S CA 1.234 59.512 58.200 0.129 0.000 1.024 132 S CB -1.119 62.154 63.200 0.121 0.000 0.861 132 S HN 0.469 nan 8.310 nan 0.000 0.456 133 W N 1.647 122.902 121.300 -0.075 0.000 2.392 133 W HA 0.251 4.910 4.660 -0.001 0.000 0.279 133 W C 2.054 178.656 176.519 0.139 0.000 1.225 133 W CA 0.307 57.621 57.345 -0.052 0.000 1.233 133 W CB -0.472 29.009 29.460 0.035 0.000 1.122 133 W HN 0.321 nan 8.180 nan 0.000 0.561 134 L N -0.906 120.500 121.223 0.306 0.000 2.463 134 L HA 0.025 4.365 4.340 -0.001 0.000 0.219 134 L C 2.205 179.166 176.870 0.151 0.000 1.088 134 L CA 0.369 55.341 54.840 0.219 0.000 0.849 134 L CB -0.635 41.522 42.059 0.164 0.000 1.012 134 L HN -0.062 nan 8.230 nan 0.000 0.468 135 Q N 1.047 120.924 119.800 0.128 0.000 2.170 135 Q HA -0.119 4.221 4.340 -0.001 0.000 0.203 135 Q C 0.195 176.247 176.000 0.086 0.000 0.976 135 Q CA 1.111 56.965 55.803 0.086 0.000 0.858 135 Q CB 0.136 28.914 28.738 0.066 0.000 0.907 135 Q HN 0.601 nan 8.270 nan 0.000 0.433 136 E N -1.988 118.283 120.200 0.118 0.000 2.407 136 E HA 0.535 4.884 4.350 -0.001 0.000 0.279 136 E C -0.283 176.432 176.600 0.191 0.000 1.012 136 E CA -0.583 55.885 56.400 0.112 0.000 0.800 136 E CB 1.527 31.272 29.700 0.075 0.000 1.276 136 E HN 0.078 nan 8.360 nan 0.000 0.452 137 G N 0.774 109.622 108.800 0.081 0.000 2.660 137 G HA2 -0.203 3.757 3.960 -0.001 0.000 0.215 137 G HA3 -0.203 3.757 3.960 -0.001 0.000 0.215 137 G C -0.986 173.821 174.900 -0.155 0.000 1.345 137 G CA -0.059 44.998 45.100 -0.071 0.000 0.877 137 G HN 0.765 nan 8.290 nan 0.000 0.549 138 Q N -0.424 119.129 119.800 -0.413 0.000 2.330 138 Q HA 0.646 4.985 4.340 -0.001 0.000 0.269 138 Q C -0.980 174.861 176.000 -0.264 0.000 1.022 138 Q CA -0.489 55.176 55.803 -0.229 0.000 0.796 138 Q CB 1.579 30.223 28.738 -0.156 0.000 1.271 138 Q HN 0.621 nan 8.270 nan 0.000 0.450 139 T N 5.005 119.574 114.554 0.026 0.000 2.772 139 T HA 0.484 4.833 4.350 -0.001 0.000 0.288 139 T C -0.661 174.149 174.700 0.184 0.000 0.994 139 T CA -0.621 61.602 62.100 0.205 0.000 0.951 139 T CB 0.508 69.637 68.868 0.434 0.000 0.933 139 T HN 0.641 nan 8.240 nan 0.000 0.447 140 R N 2.939 123.538 120.500 0.164 0.000 2.803 140 R HA 0.767 5.106 4.340 -0.001 0.000 0.276 140 R C -1.174 175.210 176.300 0.139 0.000 0.978 140 R CA -0.989 55.197 56.100 0.143 0.000 0.939 140 R CB 1.567 31.926 30.300 0.099 0.000 1.179 140 R HN 0.558 nan 8.270 nan 0.000 0.472 141 I N 3.142 123.789 120.570 0.128 0.000 2.412 141 I HA 0.429 4.599 4.170 -0.001 0.000 0.296 141 I C -1.061 175.078 176.117 0.036 0.000 0.987 141 I CA -1.317 60.004 61.300 0.036 0.000 1.180 141 I CB 1.283 39.299 38.000 0.026 0.000 1.340 141 I HN 0.637 nan 8.210 nan 0.000 0.455 142 I N 7.370 127.871 120.570 -0.115 0.000 2.418 142 I HA 0.290 4.459 4.170 -0.001 0.000 0.287 142 I C -1.248 174.721 176.117 -0.246 0.000 1.008 142 I CA -0.414 60.838 61.300 -0.080 0.000 1.104 142 I CB 1.496 39.465 38.000 -0.051 0.000 1.264 142 I HN 0.400 nan 8.210 nan 0.000 0.438 143 F N 4.596 124.526 119.950 -0.034 0.000 2.308 143 F HA 0.272 4.798 4.527 -0.001 0.000 0.370 143 F C 1.306 176.986 175.800 -0.199 0.000 1.100 143 F CA -0.469 57.440 58.000 -0.152 0.000 1.108 143 F CB 0.751 39.621 39.000 -0.216 0.000 1.293 143 F HN 0.468 nan 8.300 nan 0.000 0.478 144 D N 2.334 122.652 120.400 -0.137 0.000 2.178 144 D HA -0.009 4.630 4.640 -0.001 0.000 0.201 144 D C 1.068 177.193 176.300 -0.292 0.000 0.980 144 D CA 1.040 54.911 54.000 -0.214 0.000 0.842 144 D CB 0.319 40.937 40.800 -0.303 0.000 0.948 144 D HN 0.603 nan 8.370 nan 0.000 0.472 145 G N -0.478 108.064 108.800 -0.431 0.000 2.684 145 G HA2 0.462 4.421 3.960 -0.001 0.000 0.289 145 G HA3 0.462 4.421 3.960 -0.001 0.000 0.289 145 G C -1.453 173.094 174.900 -0.587 0.000 1.416 145 G CA -0.376 44.308 45.100 -0.693 0.000 1.235 145 G HN -0.055 nan 8.290 nan 0.000 0.576 146 V N 2.825 122.626 119.914 -0.188 0.000 2.488 146 V HA 0.430 4.550 4.120 -0.001 0.000 0.293 146 V C -0.786 175.391 176.094 0.139 0.000 1.027 146 V CA -1.226 61.003 62.300 -0.118 0.000 0.862 146 V CB 1.730 33.242 31.823 -0.518 0.000 1.008 146 V HN 0.695 nan 8.190 nan 0.000 0.428 147 N N 2.609 121.417 118.700 0.180 0.000 2.437 147 N HA 0.303 5.042 4.740 -0.001 0.000 0.259 147 N C 0.729 176.187 175.510 -0.086 0.000 0.983 147 N CA 0.234 53.286 53.050 0.004 0.000 0.937 147 N CB 2.089 40.414 38.487 -0.270 0.000 1.122 147 N HN 0.712 nan 8.380 nan 0.000 0.499 148 S N 1.799 117.486 115.700 -0.022 0.000 2.578 148 S HA 0.578 5.047 4.470 -0.001 0.000 0.228 148 S C 0.256 174.922 174.600 0.111 0.000 1.022 148 S CA -0.054 58.179 58.200 0.054 0.000 0.967 148 S CB 0.351 63.598 63.200 0.077 0.000 0.914 148 S HN 0.646 nan 8.310 nan 0.000 0.515 149 A N 0.851 123.748 122.820 0.128 0.000 2.601 149 A HA 0.799 5.119 4.320 -0.001 0.000 0.291 149 A C -1.348 176.345 177.584 0.182 0.000 1.075 149 A CA -0.922 51.159 52.037 0.074 0.000 0.671 149 A CB 0.794 19.853 19.000 0.098 0.000 1.277 149 A HN 1.200 nan 8.150 nan 0.000 0.417 150 F N -0.924 118.857 119.950 -0.282 0.000 2.770 150 F HA 0.738 5.264 4.527 -0.001 0.000 0.313 150 F C -1.441 174.251 175.800 -0.180 0.000 1.154 150 F CA -0.780 57.136 58.000 -0.139 0.000 0.923 150 F CB 1.024 39.923 39.000 -0.168 0.000 1.301 150 F HN 0.657 nan 8.300 nan 0.000 0.449 151 H N 1.775 120.945 119.070 0.166 0.000 2.524 151 H HA 0.715 5.271 4.556 -0.001 0.000 0.353 151 H C -1.558 173.672 175.328 -0.164 0.000 1.136 151 H CA -0.765 55.241 56.048 -0.070 0.000 1.193 151 H CB 2.516 32.263 29.762 -0.025 0.000 1.558 151 H HN 0.786 nan 8.280 nan 0.000 0.515 152 L N 2.981 123.926 121.223 -0.465 0.000 2.365 152 L HA 0.417 4.757 4.340 -0.001 0.000 0.273 152 L C -1.568 174.968 176.870 -0.556 0.000 1.000 152 L CA -0.490 54.144 54.840 -0.343 0.000 0.819 152 L CB 1.301 43.071 42.059 -0.482 0.000 1.284 152 L HN 0.497 nan 8.230 nan 0.000 0.418 153 W N 4.523 125.792 121.300 -0.051 0.000 2.819 153 W HA 0.561 5.220 4.660 -0.001 0.000 0.337 153 W C -1.191 175.289 176.519 -0.066 0.000 1.077 153 W CA -0.769 56.542 57.345 -0.056 0.000 1.226 153 W CB 2.050 31.501 29.460 -0.015 0.000 1.419 153 W HN 0.566 nan 8.180 nan 0.000 0.502 154 C N 5.295 124.698 119.300 0.172 0.000 2.381 154 C HA 0.301 4.760 4.460 -0.001 0.000 0.328 154 C C 0.199 175.320 174.990 0.218 0.000 1.190 154 C CA -0.339 58.774 59.018 0.159 0.000 1.369 154 C CB -0.674 27.118 27.740 0.086 0.000 2.029 154 C HN 0.791 nan 8.230 nan 0.000 0.448 155 N N 3.819 122.592 118.700 0.122 0.000 2.725 155 N HA -0.187 4.552 4.740 -0.001 0.000 0.251 155 N C 1.004 176.571 175.510 0.095 0.000 1.031 155 N CA 1.899 54.993 53.050 0.073 0.000 0.720 155 N CB -1.277 37.258 38.487 0.080 0.000 0.930 155 N HN 1.764 nan 8.380 nan 0.000 0.543 156 G N -1.084 107.765 108.800 0.081 0.000 2.304 156 G HA2 -0.388 3.571 3.960 -0.001 0.000 0.252 156 G HA3 -0.388 3.571 3.960 -0.001 0.000 0.252 156 G C 0.190 175.246 174.900 0.261 0.000 1.014 156 G CA 0.706 45.851 45.100 0.075 0.000 0.619 156 G HN 0.572 nan 8.290 nan 0.000 0.525 157 R N -0.684 120.035 120.500 0.365 0.000 2.349 157 R HA 0.421 4.760 4.340 -0.001 0.000 0.299 157 R C -0.159 176.499 176.300 0.596 0.000 1.027 157 R CA -0.731 55.669 56.100 0.499 0.000 0.958 157 R CB 0.859 31.447 30.300 0.479 0.000 1.047 157 R HN 0.252 nan 8.270 nan 0.000 0.468 158 W N 4.084 125.604 121.300 0.367 0.000 2.368 158 W HA 0.079 4.739 4.660 -0.001 0.000 0.316 158 W C 0.164 176.608 176.519 -0.125 0.000 1.375 158 W CA -0.100 57.163 57.345 -0.136 0.000 1.261 158 W CB 0.572 29.942 29.460 -0.152 0.000 1.298 158 W HN 0.360 nan 8.180 nan 0.000 0.539 159 V N 5.951 125.226 119.914 -1.066 0.000 2.403 159 V HA 0.433 4.552 4.120 -0.001 0.000 0.239 159 V C 1.220 176.396 176.094 -1.531 0.000 1.041 159 V CA 1.447 63.013 62.300 -1.225 0.000 1.051 159 V CB -0.788 30.343 31.823 -1.153 0.000 0.704 159 V HN 0.776 nan 8.190 nan 0.000 0.472 160 G N -2.261 105.411 108.800 -1.880 0.000 2.490 160 G HA2 0.483 4.442 3.960 -0.001 0.000 0.308 160 G HA3 0.483 4.442 3.960 -0.001 0.000 0.308 160 G C -2.361 172.037 174.900 -0.838 0.000 1.286 160 G CA -0.249 43.970 45.100 -1.468 0.000 0.825 160 G HN 0.021 nan 8.290 nan 0.000 0.479 161 Y N -0.627 119.380 120.300 -0.488 0.000 2.588 161 Y HA 0.710 5.259 4.550 -0.001 0.000 0.343 161 Y C -0.072 175.617 175.900 -0.351 0.000 1.065 161 Y CA -0.010 57.789 58.100 -0.501 0.000 1.038 161 Y CB 2.306 40.639 38.460 -0.212 0.000 1.297 161 Y HN 1.303 nan 8.280 nan 0.000 0.467 162 G N 3.320 111.306 108.800 -1.356 0.000 2.703 162 G HA2 0.536 4.495 3.960 -0.001 0.000 0.294 162 G HA3 0.536 4.495 3.960 -0.001 0.000 0.294 162 G C -2.217 172.231 174.900 -0.753 0.000 1.451 162 G CA -0.863 43.765 45.100 -0.787 0.000 0.869 162 G HN 0.635 nan 8.290 nan 0.000 0.516 163 Q N -0.335 119.275 119.800 -0.318 0.000 2.873 163 Q HA 0.627 4.966 4.340 -0.001 0.000 0.297 163 Q C -1.287 174.715 176.000 0.004 0.000 1.064 163 Q CA -0.819 54.912 55.803 -0.120 0.000 0.816 163 Q CB 2.529 31.247 28.738 -0.032 0.000 1.481 163 Q HN 0.673 nan 8.270 nan 0.000 0.488 164 D N -0.214 120.225 120.400 0.065 0.000 4.303 164 D HA -0.092 4.548 4.640 -0.001 0.000 0.230 164 D C -0.530 175.832 176.300 0.104 0.000 1.172 164 D CA 0.449 54.502 54.000 0.088 0.000 1.001 164 D CB -0.560 40.274 40.800 0.058 0.000 0.641 164 D HN 0.549 nan 8.370 nan 0.000 0.296 165 S N 3.217 118.994 115.700 0.128 0.000 2.547 165 S HA -0.078 4.391 4.470 -0.001 0.000 0.235 165 S C 1.548 176.290 174.600 0.236 0.000 0.980 165 S CA 0.566 58.875 58.200 0.182 0.000 0.941 165 S CB 0.258 63.535 63.200 0.127 0.000 0.763 165 S HN 0.459 nan 8.310 nan 0.000 0.532 166 R N 0.156 120.746 120.500 0.150 0.000 2.543 166 R HA 0.435 4.774 4.340 -0.001 0.000 0.323 166 R C -0.411 175.942 176.300 0.088 0.000 1.002 166 R CA 0.049 56.233 56.100 0.140 0.000 1.106 166 R CB 0.159 30.555 30.300 0.159 0.000 1.280 166 R HN 0.328 nan 8.270 nan 0.000 0.549 167 L N 1.961 123.208 121.223 0.041 0.000 2.388 167 L HA 0.491 4.831 4.340 -0.001 0.000 0.264 167 L C -2.314 174.530 176.870 -0.043 0.000 0.998 167 L CA -2.266 52.571 54.840 -0.005 0.000 0.817 167 L CB 3.065 45.119 42.059 -0.009 0.000 1.338 167 L HN -0.198 nan 8.230 nan 0.000 0.414 168 P HA 0.041 nan 4.420 nan 0.000 0.268 168 P C -0.888 176.377 177.300 -0.059 0.000 1.205 168 P CA -0.109 62.941 63.100 -0.083 0.000 0.771 168 P CB 1.090 32.705 31.700 -0.141 0.000 0.858 169 S N 1.823 117.548 115.700 0.043 0.000 2.552 169 S HA 0.309 4.778 4.470 -0.001 0.000 0.314 169 S C -0.495 174.106 174.600 0.001 0.000 1.099 169 S CA -0.527 57.689 58.200 0.026 0.000 1.070 169 S CB 0.864 64.259 63.200 0.324 0.000 0.998 169 S HN 0.380 nan 8.310 nan 0.000 0.474 170 E N 1.987 121.984 120.200 -0.338 0.000 2.199 170 E HA 0.568 4.917 4.350 -0.001 0.000 0.269 170 E C -1.439 174.793 176.600 -0.613 0.000 0.899 170 E CA -0.508 55.742 56.400 -0.249 0.000 0.772 170 E CB 1.576 31.218 29.700 -0.098 0.000 1.155 170 E HN 0.412 nan 8.360 nan 0.000 0.408 171 F N 0.794 120.787 119.950 0.072 0.000 2.565 171 F HA 0.209 4.735 4.527 -0.001 0.000 0.313 171 F C 0.044 175.854 175.800 0.017 0.000 1.091 171 F CA -1.104 56.901 58.000 0.008 0.000 0.915 171 F CB 1.508 40.477 39.000 -0.052 0.000 1.208 171 F HN 0.269 nan 8.300 nan 0.000 0.453 172 D N 3.237 123.744 120.400 0.178 0.000 2.338 172 D HA 0.197 4.836 4.640 -0.001 0.000 0.255 172 D C 0.427 176.846 176.300 0.197 0.000 1.237 172 D CA 0.322 54.417 54.000 0.158 0.000 0.883 172 D CB 0.857 41.740 40.800 0.138 0.000 1.087 172 D HN 0.571 nan 8.370 nan 0.000 0.485 173 L N 2.718 124.063 121.223 0.204 0.000 2.607 173 L HA 0.025 4.365 4.340 -0.001 0.000 0.228 173 L C 2.188 179.270 176.870 0.352 0.000 1.123 173 L CA -0.201 54.795 54.840 0.260 0.000 0.890 173 L CB 0.011 42.193 42.059 0.204 0.000 1.103 173 L HN 0.255 nan 8.230 nan 0.000 0.468 174 S N 1.371 117.234 115.700 0.272 0.000 2.381 174 S HA -0.279 4.191 4.470 -0.001 0.000 0.230 174 S C 2.004 176.720 174.600 0.194 0.000 1.052 174 S CA 1.925 60.254 58.200 0.214 0.000 1.068 174 S CB -0.135 63.151 63.200 0.143 0.000 0.918 174 S HN 0.578 nan 8.310 nan 0.000 0.448 175 A N -0.775 122.163 122.820 0.198 0.000 2.251 175 A HA 0.347 4.666 4.320 -0.001 0.000 0.209 175 A C 1.211 178.711 177.584 -0.139 0.000 1.187 175 A CA 0.262 52.299 52.037 -0.001 0.000 0.823 175 A CB -0.357 18.568 19.000 -0.124 0.000 0.846 175 A HN 0.476 nan 8.150 nan 0.000 0.486 176 F N -0.699 119.293 119.950 0.071 0.000 2.694 176 F HA 0.365 4.891 4.527 -0.001 0.000 0.292 176 F C 0.735 176.572 175.800 0.061 0.000 1.121 176 F CA -0.255 57.785 58.000 0.067 0.000 1.352 176 F CB 0.011 39.055 39.000 0.074 0.000 1.107 176 F HN -0.033 nan 8.300 nan 0.000 0.597 177 L N 0.840 122.213 121.223 0.250 0.000 2.456 177 L HA 0.479 4.819 4.340 -0.001 0.000 0.257 177 L C -0.056 176.860 176.870 0.077 0.000 1.162 177 L CA -0.479 54.452 54.840 0.152 0.000 0.808 177 L CB 0.879 43.045 42.059 0.179 0.000 1.136 177 L HN -0.042 nan 8.230 nan 0.000 0.466 178 R N 0.460 120.971 120.500 0.018 0.000 2.795 178 R HA 0.652 4.992 4.340 -0.001 0.000 0.275 178 R C -0.934 175.350 176.300 -0.027 0.000 0.981 178 R CA -0.935 55.162 56.100 -0.005 0.000 0.917 178 R CB 1.745 32.027 30.300 -0.030 0.000 1.202 178 R HN 0.678 nan 8.270 nan 0.000 0.469 179 A N 1.209 124.020 122.820 -0.014 0.000 2.477 179 A HA 0.546 4.865 4.320 -0.001 0.000 0.246 179 A C 0.898 178.445 177.584 -0.061 0.000 1.078 179 A CA 1.071 53.094 52.037 -0.023 0.000 0.770 179 A CB -0.318 18.680 19.000 -0.005 0.000 1.011 179 A HN 0.944 nan 8.150 nan 0.000 0.494 180 G N 1.636 110.385 108.800 -0.085 0.000 2.513 180 G HA2 -0.131 3.829 3.960 -0.001 0.000 0.227 180 G HA3 -0.131 3.829 3.960 -0.001 0.000 0.227 180 G C -0.280 174.514 174.900 -0.177 0.000 1.176 180 G CA 0.046 45.082 45.100 -0.107 0.000 0.967 180 G HN 0.938 nan 8.290 nan 0.000 0.587 181 E N 1.471 121.561 120.200 -0.183 0.000 2.301 181 E HA 0.496 4.846 4.350 -0.001 0.000 0.275 181 E C -0.212 176.183 176.600 -0.342 0.000 1.030 181 E CA -0.426 55.812 56.400 -0.268 0.000 0.852 181 E CB 0.860 30.446 29.700 -0.189 0.000 1.060 181 E HN 0.426 nan 8.360 nan 0.000 0.401 182 N N 1.733 120.078 118.700 -0.592 0.000 2.455 182 N HA 0.389 5.128 4.740 -0.001 0.000 0.278 182 N C -1.109 174.080 175.510 -0.535 0.000 1.291 182 N CA -0.706 51.991 53.050 -0.590 0.000 0.780 182 N CB 2.510 40.515 38.487 -0.804 0.000 1.520 182 N HN 0.296 nan 8.380 nan 0.000 0.486 183 R N 1.395 121.760 120.500 -0.225 0.000 2.502 183 R HA 0.474 4.813 4.340 -0.001 0.000 0.300 183 R C -1.332 175.006 176.300 0.063 0.000 0.984 183 R CA -0.462 55.597 56.100 -0.068 0.000 0.882 183 R CB 0.914 31.157 30.300 -0.094 0.000 1.180 183 R HN 0.482 nan 8.270 nan 0.000 0.444 184 L N 3.085 124.406 121.223 0.163 0.000 2.343 184 L HA 0.762 5.102 4.340 -0.001 0.000 0.275 184 L C -0.233 176.702 176.870 0.107 0.000 1.056 184 L CA -0.857 54.088 54.840 0.175 0.000 0.804 184 L CB 1.924 44.100 42.059 0.195 0.000 1.203 184 L HN 0.773 nan 8.230 nan 0.000 0.440 185 A N 2.917 125.822 122.820 0.142 0.000 2.353 185 A HA 0.747 5.066 4.320 -0.001 0.000 0.299 185 A C -1.136 176.731 177.584 0.471 0.000 1.089 185 A CA -0.443 51.608 52.037 0.024 0.000 0.736 185 A CB 1.553 20.170 19.000 -0.639 0.000 1.195 185 A HN 0.364 nan 8.150 nan 0.000 0.447 186 V N 3.334 123.693 119.914 0.741 0.000 2.443 186 V HA 0.453 4.573 4.120 -0.001 0.000 0.293 186 V C -0.094 176.552 176.094 0.920 0.000 1.021 186 V CA -0.277 62.470 62.300 0.745 0.000 0.848 186 V CB 1.549 33.633 31.823 0.435 0.000 0.998 186 V HN 0.967 nan 8.190 nan 0.000 0.424 187 M N 6.006 126.155 119.600 0.914 0.000 2.069 187 M HA 0.505 4.984 4.480 -0.001 0.000 0.349 187 M C -1.264 175.304 176.300 0.448 0.000 1.194 187 M CA -0.341 55.318 55.300 0.598 0.000 1.081 187 M CB 0.903 33.897 32.600 0.657 0.000 1.500 187 M HN 0.480 nan 8.290 nan 0.000 0.438 188 V N 6.985 127.135 119.914 0.393 0.000 2.364 188 V HA 0.321 4.441 4.120 -0.001 0.000 0.272 188 V C -0.010 176.276 176.094 0.320 0.000 1.036 188 V CA -0.570 61.967 62.300 0.394 0.000 0.880 188 V CB 1.088 33.242 31.823 0.551 0.000 0.991 188 V HN 0.782 nan 8.190 nan 0.000 0.460 189 L N 5.288 126.621 121.223 0.183 0.000 2.276 189 L HA 0.485 4.824 4.340 -0.001 0.000 0.286 189 L C 1.599 178.506 176.870 0.060 0.000 1.061 189 L CA -0.321 54.547 54.840 0.048 0.000 0.807 189 L CB 1.089 43.065 42.059 -0.139 0.000 1.177 189 L HN 0.641 nan 8.230 nan 0.000 0.429 190 R N 3.116 123.617 120.500 0.002 0.000 2.073 190 R HA -0.072 4.267 4.340 -0.001 0.000 0.234 190 R C -0.316 175.703 176.300 -0.469 0.000 1.134 190 R CA 1.362 57.239 56.100 -0.372 0.000 0.952 190 R CB 0.195 30.142 30.300 -0.589 0.000 0.850 190 R HN 0.561 nan 8.270 nan 0.000 0.433 191 W N 0.137 121.510 121.300 0.121 0.000 2.627 191 W HA 0.421 5.080 4.660 -0.001 0.000 0.339 191 W C -0.334 176.302 176.519 0.196 0.000 1.058 191 W CA -0.824 56.603 57.345 0.136 0.000 1.223 191 W CB 1.787 31.332 29.460 0.141 0.000 1.389 191 W HN 0.041 nan 8.180 nan 0.000 0.541 192 S N -0.954 115.057 115.700 0.519 0.000 2.643 192 S HA 0.145 4.614 4.470 -0.001 0.000 0.270 192 S C 0.380 175.278 174.600 0.497 0.000 1.166 192 S CA -0.565 57.945 58.200 0.517 0.000 0.815 192 S CB 1.248 64.711 63.200 0.439 0.000 1.139 192 S HN 0.684 nan 8.310 nan 0.000 0.472 193 D N 0.260 120.939 120.400 0.466 0.000 2.309 193 D HA -0.045 4.594 4.640 -0.001 0.000 0.212 193 D C 1.608 178.245 176.300 0.561 0.000 0.968 193 D CA 1.299 55.599 54.000 0.501 0.000 0.882 193 D CB -0.798 40.137 40.800 0.224 0.000 0.918 193 D HN 0.719 nan 8.370 nan 0.000 0.503 194 G N 0.692 109.742 108.800 0.416 0.000 2.448 194 G HA2 -0.186 3.773 3.960 -0.001 0.000 0.218 194 G HA3 -0.186 3.773 3.960 -0.001 0.000 0.218 194 G C 1.777 176.886 174.900 0.349 0.000 1.135 194 G CA 0.488 45.803 45.100 0.357 0.000 0.784 194 G HN 0.266 nan 8.290 nan 0.000 0.543 195 S N 0.134 116.043 115.700 0.348 0.000 2.400 195 S HA -0.136 4.333 4.470 -0.001 0.000 0.232 195 S C 1.916 176.632 174.600 0.193 0.000 1.025 195 S CA 0.828 59.198 58.200 0.282 0.000 0.993 195 S CB -0.422 62.969 63.200 0.318 0.000 0.808 195 S HN 0.524 nan 8.310 nan 0.000 0.478 196 Y N 1.129 121.546 120.300 0.194 0.000 2.403 196 Y HA 0.032 4.582 4.550 -0.001 0.000 0.291 196 Y C 1.565 177.551 175.900 0.144 0.000 1.143 196 Y CA 0.725 58.853 58.100 0.045 0.000 1.257 196 Y CB -0.229 38.127 38.460 -0.173 0.000 0.984 196 Y HN 0.209 nan 8.280 nan 0.000 0.550 197 L N -0.362 121.039 121.223 0.296 0.000 2.769 197 L HA 0.163 4.503 4.340 -0.001 0.000 0.240 197 L C 0.007 177.011 176.870 0.224 0.000 1.163 197 L CA 0.285 55.262 54.840 0.228 0.000 0.962 197 L CB 0.148 42.344 42.059 0.229 0.000 1.258 197 L HN 0.112 nan 8.230 nan 0.000 0.513 198 E N 0.038 120.384 120.200 0.242 0.000 3.846 198 E HA 0.055 4.404 4.350 -0.001 0.000 0.216 198 E C -0.565 176.145 176.600 0.183 0.000 1.092 198 E CA -0.049 56.481 56.400 0.217 0.000 1.370 198 E CB 0.549 30.371 29.700 0.205 0.000 1.227 198 E HN 0.042 nan 8.360 nan 0.000 0.442 199 D N 1.300 121.766 120.400 0.110 0.000 2.889 199 D HA 0.035 4.674 4.640 -0.001 0.000 0.243 199 D C -0.223 176.067 176.300 -0.016 0.000 1.270 199 D CA -0.165 53.791 54.000 -0.073 0.000 0.838 199 D CB 0.159 40.658 40.800 -0.502 0.000 1.040 199 D HN 0.018 nan 8.370 nan 0.000 0.480 200 Q N 0.424 120.310 119.800 0.143 0.000 2.392 200 Q HA 0.143 4.482 4.340 -0.001 0.000 0.262 200 Q C -0.178 175.945 176.000 0.205 0.000 1.003 200 Q CA -0.005 55.954 55.803 0.261 0.000 0.888 200 Q CB 0.656 29.706 28.738 0.519 0.000 1.260 200 Q HN 0.109 nan 8.270 nan 0.000 0.435 201 D N 2.991 123.545 120.400 0.257 0.000 2.455 201 D HA 0.201 4.841 4.640 -0.001 0.000 0.234 201 D C -0.787 175.666 176.300 0.254 0.000 1.224 201 D CA 0.109 54.230 54.000 0.202 0.000 0.999 201 D CB -0.406 40.522 40.800 0.213 0.000 1.072 201 D HN 0.493 nan 8.370 nan 0.000 0.514 202 M N 0.429 120.133 119.600 0.173 0.000 3.012 202 M HA 0.381 4.860 4.480 -0.001 0.000 0.272 202 M C -1.352 175.044 176.300 0.161 0.000 1.187 202 M CA -1.184 54.162 55.300 0.076 0.000 0.813 202 M CB 0.977 33.521 32.600 -0.093 0.000 1.626 202 M HN -0.071 nan 8.290 nan 0.000 0.507 203 W N 2.107 123.488 121.300 0.134 0.000 2.223 203 W HA 0.325 4.984 4.660 -0.001 0.000 0.334 203 W C 0.200 176.733 176.519 0.022 0.000 1.334 203 W CA 0.020 57.433 57.345 0.113 0.000 1.246 203 W CB 0.369 29.833 29.460 0.007 0.000 1.184 203 W HN 0.283 nan 8.180 nan 0.000 0.563 204 R N 4.889 125.556 120.500 0.279 0.000 2.198 204 R HA 0.448 4.788 4.340 -0.001 0.000 0.339 204 R C -0.180 176.123 176.300 0.005 0.000 1.020 204 R CA -0.312 55.876 56.100 0.146 0.000 0.864 204 R CB 0.266 30.729 30.300 0.272 0.000 1.105 204 R HN 0.568 nan 8.270 nan 0.000 0.463 205 M N 0.243 119.734 119.600 -0.182 0.000 2.752 205 M HA 0.533 5.013 4.480 -0.001 0.000 0.285 205 M C -0.088 175.865 176.300 -0.579 0.000 1.140 205 M CA -0.800 54.274 55.300 -0.377 0.000 0.767 205 M CB 2.253 34.626 32.600 -0.379 0.000 1.736 205 M HN 0.667 nan 8.290 nan 0.000 0.452 206 S N -1.203 114.016 115.700 -0.801 0.000 2.611 206 S HA 0.941 5.410 4.470 -0.001 0.000 0.268 206 S C -0.636 173.384 174.600 -0.966 0.000 1.156 206 S CA -0.202 57.447 58.200 -0.918 0.000 0.817 206 S CB 1.670 64.194 63.200 -1.128 0.000 1.122 206 S HN 1.526 nan 8.310 nan 0.000 0.466 207 G N -0.042 108.441 108.800 -0.529 0.000 2.353 207 G HA2 0.156 4.116 3.960 -0.001 0.000 0.615 207 G HA3 0.156 4.116 3.960 -0.001 0.000 0.615 207 G C -1.206 173.673 174.900 -0.035 0.000 1.280 207 G CA -0.613 44.471 45.100 -0.027 0.000 1.000 207 G HN 1.218 nan 8.290 nan 0.000 0.516 208 I N 2.141 122.535 120.570 -0.294 0.000 2.227 208 I HA 0.226 4.395 4.170 -0.001 0.000 0.297 208 I C 1.415 177.378 176.117 -0.257 0.000 1.173 208 I CA -0.150 60.886 61.300 -0.440 0.000 1.356 208 I CB -0.434 37.054 38.000 -0.853 0.000 1.485 208 I HN 0.501 nan 8.210 nan 0.000 0.604 209 F N 3.208 122.991 119.950 -0.278 0.000 2.789 209 F HA 0.372 4.898 4.527 -0.001 0.000 0.300 209 F C 0.884 176.589 175.800 -0.157 0.000 1.132 209 F CA -0.453 57.419 58.000 -0.214 0.000 1.404 209 F CB -0.013 38.868 39.000 -0.198 0.000 1.114 209 F HN 0.131 nan 8.300 nan 0.000 0.584 210 R N 0.857 120.928 120.500 -0.714 0.000 2.892 210 R HA 0.206 4.546 4.340 -0.001 0.000 0.265 210 R C -0.504 175.581 176.300 -0.358 0.000 1.025 210 R CA -1.136 54.653 56.100 -0.519 0.000 0.982 210 R CB 0.884 30.771 30.300 -0.689 0.000 1.185 210 R HN 0.001 nan 8.270 nan 0.000 0.484 211 D N 0.710 120.953 120.400 -0.263 0.000 2.429 211 D HA 0.023 4.662 4.640 -0.001 0.000 0.233 211 D C -0.434 175.719 176.300 -0.246 0.000 1.202 211 D CA 0.678 54.555 54.000 -0.205 0.000 0.879 211 D CB 0.585 41.298 40.800 -0.144 0.000 1.212 211 D HN -0.022 nan 8.370 nan 0.000 0.465 212 V N 0.693 120.472 119.914 -0.225 0.000 2.638 212 V HA 0.562 4.682 4.120 -0.001 0.000 0.306 212 V C -0.028 175.939 176.094 -0.212 0.000 1.052 212 V CA -0.548 61.562 62.300 -0.317 0.000 0.885 212 V CB 1.879 33.517 31.823 -0.308 0.000 0.999 212 V HN 0.805 nan 8.190 nan 0.000 0.424 213 S N 4.385 119.937 115.700 -0.247 0.000 2.625 213 S HA 0.814 5.283 4.470 -0.001 0.000 0.271 213 S C -1.492 173.039 174.600 -0.115 0.000 1.161 213 S CA -0.911 57.205 58.200 -0.139 0.000 0.820 213 S CB 1.827 64.987 63.200 -0.067 0.000 1.137 213 S HN 0.484 nan 8.310 nan 0.000 0.470 214 L N 1.473 122.687 121.223 -0.016 0.000 2.333 214 L HA 0.662 5.002 4.340 -0.001 0.000 0.280 214 L C -1.429 175.615 176.870 0.291 0.000 1.004 214 L CA -0.877 54.032 54.840 0.115 0.000 0.820 214 L CB 1.709 43.823 42.059 0.091 0.000 1.247 214 L HN 0.707 nan 8.230 nan 0.000 0.416 215 L N 3.728 125.100 121.223 0.249 0.000 2.341 215 L HA 0.475 4.815 4.340 -0.001 0.000 0.278 215 L C -0.719 176.190 176.870 0.065 0.000 1.005 215 L CA -0.101 54.832 54.840 0.156 0.000 0.818 215 L CB 1.366 43.477 42.059 0.086 0.000 1.259 215 L HN 0.468 nan 8.230 nan 0.000 0.418 216 H N 5.422 124.311 119.070 -0.301 0.000 2.504 216 H HA 0.489 5.044 4.556 -0.001 0.000 0.322 216 H C -1.307 173.815 175.328 -0.342 0.000 1.055 216 H CA -0.556 55.189 56.048 -0.505 0.000 1.231 216 H CB 1.098 30.061 29.762 -1.332 0.000 1.417 216 H HN 0.563 nan 8.280 nan 0.000 0.472 217 K N 5.604 125.646 120.400 -0.596 0.000 2.318 217 K HA 0.376 4.696 4.320 -0.001 0.000 0.249 217 K C -2.742 173.612 176.600 -0.411 0.000 0.942 217 K CA -2.007 54.056 56.287 -0.372 0.000 0.808 217 K CB 2.250 34.599 32.500 -0.252 0.000 1.189 217 K HN 0.457 nan 8.250 nan 0.000 0.428 218 P HA 0.123 nan 4.420 nan 0.000 0.273 218 P C 0.559 177.784 177.300 -0.125 0.000 1.250 218 P CA -0.134 62.891 63.100 -0.125 0.000 0.793 218 P CB 0.500 32.166 31.700 -0.056 0.000 1.011 219 T N -1.208 113.300 114.554 -0.077 0.000 2.708 219 T HA -0.063 4.287 4.350 -0.001 0.000 0.266 219 T C 0.583 175.244 174.700 -0.066 0.000 1.037 219 T CA 1.598 63.660 62.100 -0.063 0.000 1.146 219 T CB -0.679 68.170 68.868 -0.031 0.000 0.865 219 T HN 0.429 nan 8.240 nan 0.000 0.435 220 T N 3.861 118.381 114.554 -0.056 0.000 2.727 220 T HA 0.421 4.771 4.350 -0.001 0.000 0.298 220 T C -0.141 174.513 174.700 -0.077 0.000 0.942 220 T CA -0.597 61.461 62.100 -0.071 0.000 0.997 220 T CB 0.555 69.397 68.868 -0.043 0.000 0.917 220 T HN 0.465 nan 8.240 nan 0.000 0.487 221 Q N 2.753 122.494 119.800 -0.098 0.000 2.544 221 Q HA 0.602 4.941 4.340 -0.001 0.000 0.291 221 Q C -1.247 174.696 176.000 -0.096 0.000 1.068 221 Q CA -1.151 54.586 55.803 -0.110 0.000 0.785 221 Q CB 1.465 30.119 28.738 -0.141 0.000 1.481 221 Q HN 0.477 nan 8.270 nan 0.000 0.430 222 I N 2.691 123.182 120.570 -0.132 0.000 2.337 222 I HA 0.047 4.217 4.170 -0.001 0.000 0.291 222 I C 0.738 176.801 176.117 -0.090 0.000 1.046 222 I CA -0.143 61.112 61.300 -0.075 0.000 1.324 222 I CB 1.217 39.140 38.000 -0.129 0.000 1.409 222 I HN 0.853 nan 8.210 nan 0.000 0.494 223 S N 2.658 118.401 115.700 0.073 0.000 2.535 223 S HA 0.187 4.657 4.470 -0.001 0.000 0.214 223 S C 0.117 174.917 174.600 0.334 0.000 0.980 223 S CA -0.248 58.056 58.200 0.173 0.000 0.907 223 S CB 0.146 63.393 63.200 0.079 0.000 0.790 223 S HN 0.735 nan 8.310 nan 0.000 0.510 224 D N -0.353 120.260 120.400 0.354 0.000 2.783 224 D HA 0.473 5.112 4.640 -0.001 0.000 0.253 224 D C -1.970 174.489 176.300 0.264 0.000 1.206 224 D CA -0.686 53.477 54.000 0.271 0.000 0.740 224 D CB 1.176 42.015 40.800 0.064 0.000 1.313 224 D HN 0.186 nan 8.370 nan 0.000 0.427 225 F N -0.293 119.714 119.950 0.095 0.000 2.639 225 F HA 0.557 5.083 4.527 -0.001 0.000 0.320 225 F C -1.767 174.126 175.800 0.156 0.000 1.128 225 F CA -0.687 57.327 58.000 0.023 0.000 1.037 225 F CB 0.966 40.022 39.000 0.092 0.000 1.288 225 F HN 0.286 nan 8.300 nan 0.000 0.463 226 H N 2.563 121.721 119.070 0.146 0.000 2.529 226 H HA 0.751 5.307 4.556 -0.001 0.000 0.348 226 H C -1.199 174.187 175.328 0.097 0.000 1.079 226 H CA -1.509 54.562 56.048 0.039 0.000 1.198 226 H CB 2.593 32.343 29.762 -0.019 0.000 1.521 226 H HN 0.605 nan 8.280 nan 0.000 0.514 227 V N 2.471 122.499 119.914 0.189 0.000 2.417 227 V HA 0.640 4.760 4.120 -0.001 0.000 0.291 227 V C -0.125 175.959 176.094 -0.016 0.000 1.024 227 V CA -0.546 61.803 62.300 0.083 0.000 0.861 227 V CB 1.238 33.105 31.823 0.074 0.000 0.985 227 V HN 0.919 nan 8.190 nan 0.000 0.436 228 A N 3.321 126.103 122.820 -0.062 0.000 2.413 228 A HA 0.969 5.289 4.320 -0.001 0.000 0.307 228 A C -0.179 177.286 177.584 -0.199 0.000 1.087 228 A CA -0.526 51.452 52.037 -0.099 0.000 0.750 228 A CB 2.096 21.062 19.000 -0.056 0.000 1.296 228 A HN 0.928 nan 8.150 nan 0.000 0.423 229 T N -0.220 114.197 114.554 -0.229 0.000 2.890 229 T HA 0.681 5.030 4.350 -0.001 0.000 0.295 229 T C -0.534 173.935 174.700 -0.385 0.000 0.993 229 T CA -0.692 61.163 62.100 -0.408 0.000 0.979 229 T CB 0.876 69.390 68.868 -0.590 0.000 0.967 229 T HN 0.704 nan 8.240 nan 0.000 0.441 230 R N 2.025 122.254 120.500 -0.451 0.000 2.720 230 R HA 0.817 5.156 4.340 -0.001 0.000 0.272 230 R C -1.085 174.876 176.300 -0.565 0.000 0.991 230 R CA -0.793 55.132 56.100 -0.293 0.000 1.010 230 R CB 1.363 31.583 30.300 -0.133 0.000 1.141 230 R HN 0.538 nan 8.270 nan 0.000 0.494 231 F N -0.043 119.887 119.950 -0.033 0.000 2.640 231 F HA 0.315 4.841 4.527 -0.001 0.000 0.324 231 F C 0.418 176.088 175.800 -0.217 0.000 1.077 231 F CA -1.190 56.741 58.000 -0.115 0.000 0.965 231 F CB 0.925 39.794 39.000 -0.218 0.000 1.351 231 F HN 0.519 nan 8.300 nan 0.000 0.487 232 N N -0.072 118.619 118.700 -0.015 0.000 2.405 232 N HA 0.089 4.828 4.740 -0.001 0.000 0.269 232 N C 0.388 175.757 175.510 -0.236 0.000 1.249 232 N CA -0.234 52.765 53.050 -0.086 0.000 0.974 232 N CB 0.199 38.667 38.487 -0.031 0.000 1.204 232 N HN 0.664 nan 8.380 nan 0.000 0.565 233 D N -0.956 119.349 120.400 -0.158 0.000 2.158 233 D HA -0.254 4.385 4.640 -0.001 0.000 0.197 233 D C 0.583 176.792 176.300 -0.151 0.000 0.995 233 D CA 1.613 55.515 54.000 -0.163 0.000 0.846 233 D CB -0.496 40.273 40.800 -0.052 0.000 0.941 233 D HN 0.758 nan 8.370 nan 0.000 0.456 234 D N -1.157 119.211 120.400 -0.054 0.000 2.363 234 D HA -0.044 4.595 4.640 -0.001 0.000 0.214 234 D C 0.215 176.690 176.300 0.290 0.000 1.093 234 D CA -0.700 53.380 54.000 0.133 0.000 0.837 234 D CB -0.806 40.061 40.800 0.112 0.000 0.948 234 D HN 0.215 nan 8.370 nan 0.000 0.507 235 F N 0.571 120.571 119.950 0.084 0.000 3.034 235 F HA -0.287 4.239 4.527 -0.001 0.000 0.286 235 F C 1.689 177.569 175.800 0.133 0.000 0.804 235 F CA 0.815 58.879 58.000 0.107 0.000 1.161 235 F CB -2.580 36.374 39.000 -0.077 0.000 1.317 235 F HN 0.183 nan 8.300 nan 0.000 0.453 236 S N -1.189 114.634 115.700 0.204 0.000 2.527 236 S HA 0.222 4.692 4.470 -0.001 0.000 0.222 236 S C 0.711 175.380 174.600 0.114 0.000 0.985 236 S CA 0.111 58.396 58.200 0.141 0.000 0.921 236 S CB 0.356 63.612 63.200 0.092 0.000 0.772 236 S HN 0.470 nan 8.310 nan 0.000 0.529 237 R N 0.014 120.594 120.500 0.133 0.000 2.771 237 R HA 0.817 5.157 4.340 -0.001 0.000 0.274 237 R C -1.371 174.994 176.300 0.108 0.000 0.987 237 R CA -0.381 55.767 56.100 0.080 0.000 0.908 237 R CB 2.273 32.591 30.300 0.029 0.000 1.213 237 R HN 0.242 nan 8.270 nan 0.000 0.468 238 A N 1.255 124.076 122.820 0.003 0.000 2.587 238 A HA 0.695 5.015 4.320 -0.001 0.000 0.293 238 A C -1.488 176.032 177.584 -0.106 0.000 1.087 238 A CA -0.628 51.334 52.037 -0.125 0.000 0.692 238 A CB 2.099 21.028 19.000 -0.118 0.000 1.291 238 A HN 0.325 nan 8.150 nan 0.000 0.407 239 V N 1.766 121.580 119.914 -0.166 0.000 2.443 239 V HA 0.431 4.550 4.120 -0.001 0.000 0.293 239 V C -0.504 175.516 176.094 -0.124 0.000 1.021 239 V CA -0.313 61.924 62.300 -0.106 0.000 0.848 239 V CB 1.382 33.142 31.823 -0.104 0.000 0.998 239 V HN 0.816 nan 8.190 nan 0.000 0.424 240 L N 4.464 125.650 121.223 -0.061 0.000 2.276 240 L HA 0.600 4.940 4.340 -0.001 0.000 0.286 240 L C 0.055 176.870 176.870 -0.092 0.000 1.061 240 L CA 0.023 54.792 54.840 -0.117 0.000 0.807 240 L CB 1.103 43.123 42.059 -0.065 0.000 1.177 240 L HN 0.782 nan 8.230 nan 0.000 0.429 241 E N 4.436 124.576 120.200 -0.100 0.000 2.165 241 E HA 0.625 4.975 4.350 -0.001 0.000 0.266 241 E C -1.400 175.180 176.600 -0.033 0.000 0.889 241 E CA -0.730 55.633 56.400 -0.062 0.000 0.756 241 E CB 1.635 31.300 29.700 -0.059 0.000 1.131 241 E HN 0.708 nan 8.360 nan 0.000 0.411 242 A N 4.692 127.500 122.820 -0.020 0.000 2.311 242 A HA 0.317 4.636 4.320 -0.001 0.000 0.306 242 A C -0.684 176.903 177.584 0.004 0.000 1.189 242 A CA -0.666 51.383 52.037 0.020 0.000 0.791 242 A CB 1.100 20.107 19.000 0.012 0.000 1.172 242 A HN 0.727 nan 8.150 nan 0.000 0.481 243 E N 2.599 122.815 120.200 0.025 0.000 2.174 243 E HA 0.546 4.895 4.350 -0.001 0.000 0.282 243 E C -1.317 175.268 176.600 -0.025 0.000 0.992 243 E CA -0.352 56.025 56.400 -0.037 0.000 0.803 243 E CB 1.167 30.818 29.700 -0.081 0.000 1.090 243 E HN 0.393 nan 8.360 nan 0.000 0.396 244 V N 4.368 124.266 119.914 -0.027 0.000 2.604 244 V HA 0.321 4.440 4.120 -0.001 0.000 0.305 244 V C -0.389 175.765 176.094 0.100 0.000 1.043 244 V CA -0.785 61.546 62.300 0.050 0.000 0.888 244 V CB 1.725 33.554 31.823 0.010 0.000 0.995 244 V HN 0.741 nan 8.190 nan 0.000 0.429 245 Q N 3.938 123.818 119.800 0.134 0.000 2.365 245 Q HA 0.824 5.163 4.340 -0.001 0.000 0.269 245 Q C -0.922 175.171 176.000 0.156 0.000 1.061 245 Q CA -0.737 55.149 55.803 0.138 0.000 0.816 245 Q CB 2.230 30.976 28.738 0.014 0.000 1.325 245 Q HN 0.883 nan 8.270 nan 0.000 0.446 246 M N 0.190 119.829 119.600 0.066 0.000 2.690 246 M HA 0.766 5.246 4.480 -0.001 0.000 0.302 246 M C -1.485 174.736 176.300 -0.132 0.000 1.234 246 M CA -0.702 54.542 55.300 -0.094 0.000 0.853 246 M CB 2.137 34.494 32.600 -0.405 0.000 1.748 246 M HN 0.532 nan 8.290 nan 0.000 0.469 247 C N 0.928 120.154 119.300 -0.123 0.000 2.707 247 C HA 1.023 5.482 4.460 -0.001 0.000 0.313 247 C C 0.494 175.410 174.990 -0.123 0.000 1.209 247 C CA 0.568 59.527 59.018 -0.099 0.000 1.635 247 C CB 1.139 28.848 27.740 -0.052 0.000 2.206 247 C HN 1.299 nan 8.230 nan 0.000 0.485 248 G N 1.967 110.703 108.800 -0.106 0.000 2.384 248 G HA2 0.073 4.032 3.960 -0.001 0.000 0.668 248 G HA3 0.073 4.032 3.960 -0.001 0.000 0.668 248 G C -1.416 173.413 174.900 -0.118 0.000 1.280 248 G CA -0.824 44.217 45.100 -0.099 0.000 0.992 248 G HN 0.642 nan 8.290 nan 0.000 0.512 249 E N 0.235 120.376 120.200 -0.099 0.000 2.376 249 E HA 0.327 4.676 4.350 -0.001 0.000 0.266 249 E C 0.713 177.211 176.600 -0.170 0.000 1.009 249 E CA -0.111 56.227 56.400 -0.104 0.000 0.902 249 E CB 0.829 30.492 29.700 -0.061 0.000 0.972 249 E HN 0.471 nan 8.360 nan 0.000 0.439 250 L N 4.278 125.395 121.223 -0.176 0.000 2.380 250 L HA 0.238 4.577 4.340 -0.001 0.000 0.273 250 L C 0.656 177.379 176.870 -0.245 0.000 1.138 250 L CA -0.042 54.660 54.840 -0.230 0.000 0.832 250 L CB 0.295 42.253 42.059 -0.169 0.000 1.124 250 L HN 0.153 nan 8.230 nan 0.000 0.454 251 R N 1.697 121.981 120.500 -0.361 0.000 2.651 251 R HA 0.208 4.548 4.340 -0.001 0.000 0.278 251 R C -0.253 175.790 176.300 -0.427 0.000 1.010 251 R CA -0.801 54.994 56.100 -0.508 0.000 0.896 251 R CB 1.516 31.113 30.300 -1.172 0.000 1.211 251 R HN 0.511 nan 8.270 nan 0.000 0.456 252 D N 1.092 121.337 120.400 -0.259 0.000 2.310 252 D HA -0.128 4.512 4.640 -0.001 0.000 0.212 252 D C 1.435 177.704 176.300 -0.051 0.000 0.965 252 D CA 1.472 55.411 54.000 -0.101 0.000 0.879 252 D CB 0.203 40.992 40.800 -0.017 0.000 0.921 252 D HN 0.569 nan 8.370 nan 0.000 0.510 253 Y N -0.178 120.139 120.300 0.028 0.000 2.523 253 Y HA 0.279 4.828 4.550 -0.001 0.000 0.279 253 Y C 0.832 176.752 175.900 0.033 0.000 1.139 253 Y CA -0.533 57.585 58.100 0.030 0.000 1.296 253 Y CB -0.752 37.723 38.460 0.026 0.000 1.045 253 Y HN -0.220 nan 8.280 nan 0.000 0.538 254 L N 3.011 124.164 121.223 -0.118 0.000 2.456 254 L HA 0.277 4.616 4.340 -0.001 0.000 0.272 254 L C 0.197 177.112 176.870 0.076 0.000 1.189 254 L CA 0.093 54.962 54.840 0.049 0.000 0.846 254 L CB 0.439 42.483 42.059 -0.026 0.000 1.111 254 L HN 0.200 nan 8.230 nan 0.000 0.475 255 R N 2.128 122.583 120.500 -0.075 0.000 2.764 255 R HA 0.706 5.045 4.340 -0.001 0.000 0.270 255 R C -1.570 174.440 176.300 -0.483 0.000 1.014 255 R CA -0.809 55.103 56.100 -0.313 0.000 0.904 255 R CB 2.259 32.305 30.300 -0.422 0.000 1.236 255 R HN 0.272 nan 8.270 nan 0.000 0.466 256 V N 0.876 120.537 119.914 -0.422 0.000 2.638 256 V HA 0.483 4.602 4.120 -0.001 0.000 0.306 256 V C -0.526 175.502 176.094 -0.109 0.000 1.052 256 V CA -0.570 61.559 62.300 -0.285 0.000 0.885 256 V CB 2.373 33.973 31.823 -0.372 0.000 0.999 256 V HN 0.744 nan 8.190 nan 0.000 0.424 257 T N 3.945 118.536 114.554 0.062 0.000 2.812 257 T HA 0.608 4.957 4.350 -0.001 0.000 0.282 257 T C -0.690 174.029 174.700 0.032 0.000 0.990 257 T CA -0.399 61.761 62.100 0.101 0.000 0.960 257 T CB 1.701 70.694 68.868 0.208 0.000 0.948 257 T HN 0.336 nan 8.240 nan 0.000 0.438 258 V N 3.978 123.888 119.914 -0.006 0.000 2.378 258 V HA 0.622 4.742 4.120 -0.001 0.000 0.288 258 V C 0.005 176.099 176.094 -0.001 0.000 1.016 258 V CA -0.771 61.519 62.300 -0.017 0.000 0.840 258 V CB 1.505 33.300 31.823 -0.047 0.000 0.994 258 V HN 1.044 nan 8.190 nan 0.000 0.431 259 S N 5.426 121.153 115.700 0.046 0.000 2.503 259 S HA 0.849 5.318 4.470 -0.001 0.000 0.301 259 S C -1.045 173.588 174.600 0.055 0.000 1.087 259 S CA -0.768 57.435 58.200 0.005 0.000 1.042 259 S CB 2.170 65.405 63.200 0.059 0.000 1.043 259 S HN 0.512 nan 8.310 nan 0.000 0.489 260 L N 2.618 123.784 121.223 -0.095 0.000 2.313 260 L HA 0.777 5.116 4.340 -0.001 0.000 0.283 260 L C -1.891 174.941 176.870 -0.064 0.000 1.013 260 L CA -0.380 54.493 54.840 0.055 0.000 0.816 260 L CB 0.720 42.811 42.059 0.054 0.000 1.236 260 L HN 0.882 nan 8.230 nan 0.000 0.419 261 W N 3.449 124.849 121.300 0.167 0.000 2.736 261 W HA 0.619 5.279 4.660 -0.001 0.000 0.335 261 W C -0.652 175.958 176.519 0.153 0.000 1.059 261 W CA -0.576 56.847 57.345 0.131 0.000 1.226 261 W CB 1.476 30.963 29.460 0.046 0.000 1.416 261 W HN 0.407 nan 8.180 nan 0.000 0.505 262 Q N 2.240 122.205 119.800 0.275 0.000 2.523 262 Q HA 0.542 4.882 4.340 -0.001 0.000 0.251 262 Q C 0.471 176.515 176.000 0.073 0.000 1.033 262 Q CA 0.512 56.324 55.803 0.015 0.000 0.746 262 Q CB 0.683 29.365 28.738 -0.094 0.000 1.189 262 Q HN 0.766 nan 8.270 nan 0.000 0.508 263 G N 3.042 111.883 108.800 0.069 0.000 2.523 263 G HA2 -0.322 3.637 3.960 -0.001 0.000 0.271 263 G HA3 -0.322 3.637 3.960 -0.001 0.000 0.271 263 G C 0.323 175.296 174.900 0.122 0.000 1.146 263 G CA 0.231 45.364 45.100 0.055 0.000 0.961 263 G HN 0.574 nan 8.290 nan 0.000 0.549 264 E N 0.885 121.162 120.200 0.128 0.000 2.465 264 E HA 0.271 4.620 4.350 -0.001 0.000 0.195 264 E C -0.090 176.737 176.600 0.379 0.000 1.028 264 E CA 0.310 56.819 56.400 0.181 0.000 0.899 264 E CB 0.480 30.222 29.700 0.070 0.000 1.032 264 E HN 0.316 nan 8.360 nan 0.000 0.468 265 T N 1.278 116.028 114.554 0.327 0.000 2.749 265 T HA 0.130 4.480 4.350 -0.001 0.000 0.287 265 T C -0.281 174.452 174.700 0.056 0.000 0.970 265 T CA -0.408 61.805 62.100 0.188 0.000 0.980 265 T CB 1.560 70.472 68.868 0.074 0.000 0.924 265 T HN 0.043 nan 8.240 nan 0.000 0.456 266 Q N 2.884 122.455 119.800 -0.381 0.000 2.293 266 Q HA 0.255 4.594 4.340 -0.001 0.000 0.263 266 Q C 1.102 176.841 176.000 -0.435 0.000 1.002 266 Q CA -0.413 54.795 55.803 -0.992 0.000 0.910 266 Q CB 0.786 28.655 28.738 -1.448 0.000 1.185 266 Q HN 0.710 nan 8.270 nan 0.000 0.401 267 V N 1.122 120.855 119.914 -0.302 0.000 2.825 267 V HA 0.538 4.657 4.120 -0.001 0.000 0.246 267 V C 0.360 176.357 176.094 -0.161 0.000 1.068 267 V CA 0.857 63.074 62.300 -0.139 0.000 1.088 267 V CB 0.062 31.892 31.823 0.011 0.000 0.733 267 V HN 0.652 nan 8.190 nan 0.000 0.468 268 A N -0.844 121.851 122.820 -0.208 0.000 2.610 268 A HA 0.845 5.164 4.320 -0.001 0.000 0.291 268 A C -0.626 176.848 177.584 -0.183 0.000 1.086 268 A CA 0.168 52.108 52.037 -0.162 0.000 0.677 268 A CB 1.624 20.559 19.000 -0.107 0.000 1.278 268 A HN 0.817 nan 8.150 nan 0.000 0.414 269 S N -1.225 114.398 115.700 -0.128 0.000 2.558 269 S HA 0.705 5.175 4.470 -0.001 0.000 0.277 269 S C -0.708 173.852 174.600 -0.066 0.000 1.143 269 S CA 0.221 58.360 58.200 -0.103 0.000 0.865 269 S CB 1.467 64.594 63.200 -0.122 0.000 1.102 269 S HN 2.312 nan 8.310 nan 0.000 0.454 270 G N 1.797 110.569 108.800 -0.047 0.000 2.701 270 G HA2 0.646 4.605 3.960 -0.001 0.000 0.300 270 G HA3 0.646 4.605 3.960 -0.001 0.000 0.300 270 G C -1.317 173.568 174.900 -0.026 0.000 1.410 270 G CA -0.402 44.674 45.100 -0.040 0.000 1.014 270 G HN 0.694 nan 8.290 nan 0.000 0.509 271 T N 0.050 114.592 114.554 -0.019 0.000 2.876 271 T HA 0.848 5.198 4.350 -0.001 0.000 0.289 271 T C -0.296 174.377 174.700 -0.043 0.000 1.014 271 T CA -0.073 62.025 62.100 -0.003 0.000 0.986 271 T CB 1.801 70.704 68.868 0.057 0.000 1.021 271 T HN 1.501 nan 8.240 nan 0.000 0.458 272 A N 3.694 126.458 122.820 -0.093 0.000 2.605 272 A HA 0.882 5.202 4.320 -0.001 0.000 0.294 272 A C -3.099 174.377 177.584 -0.180 0.000 1.062 272 A CA -1.508 50.459 52.037 -0.117 0.000 0.682 272 A CB 1.325 20.248 19.000 -0.129 0.000 1.278 272 A HN 0.537 nan 8.150 nan 0.000 0.410 273 P HA 0.526 nan 4.420 nan 0.000 0.278 273 P C -0.590 176.626 177.300 -0.141 0.000 1.258 273 P CA -0.222 62.823 63.100 -0.090 0.000 0.811 273 P CB 0.468 32.158 31.700 -0.017 0.000 1.063 274 F N -0.098 119.809 119.950 -0.071 0.000 2.444 274 F HA 0.460 4.986 4.527 -0.001 0.000 0.331 274 F C 1.501 177.280 175.800 -0.036 0.000 1.167 274 F CA 1.574 59.541 58.000 -0.055 0.000 1.262 274 F CB 0.180 39.140 39.000 -0.066 0.000 1.196 274 F HN 0.612 nan 8.300 nan 0.000 0.583 275 G N 1.393 110.301 108.800 0.180 0.000 2.881 275 G HA2 0.332 4.292 3.960 -0.001 0.000 0.597 275 G HA3 0.332 4.292 3.960 -0.001 0.000 0.597 275 G C -0.386 174.555 174.900 0.068 0.000 1.188 275 G CA -0.746 44.418 45.100 0.107 0.000 1.218 275 G HN 1.043 nan 8.290 nan 0.000 0.544 276 G N 1.035 109.895 108.800 0.100 0.000 2.616 276 G HA2 0.658 4.618 3.960 -0.001 0.000 0.268 276 G HA3 0.658 4.618 3.960 -0.001 0.000 0.268 276 G C 0.506 175.442 174.900 0.060 0.000 1.213 276 G CA 0.110 45.259 45.100 0.080 0.000 0.926 276 G HN 1.005 nan 8.290 nan 0.000 0.523 277 E N -0.218 120.010 120.200 0.047 0.000 2.392 277 E HA 0.099 4.448 4.350 -0.001 0.000 0.259 277 E C 0.213 176.835 176.600 0.037 0.000 1.108 277 E CA -0.502 55.916 56.400 0.031 0.000 0.916 277 E CB 0.791 30.503 29.700 0.020 0.000 0.989 277 E HN 0.338 nan 8.360 nan 0.000 0.432 278 I N 1.774 122.355 120.570 0.018 0.000 2.710 278 I HA -0.093 4.076 4.170 -0.001 0.000 0.286 278 I C 1.416 177.542 176.117 0.016 0.000 1.181 278 I CA 0.387 61.691 61.300 0.007 0.000 1.430 278 I CB 0.145 38.143 38.000 -0.002 0.000 1.367 278 I HN 0.594 nan 8.210 nan 0.000 0.577 279 I N 0.821 121.397 120.570 0.010 0.000 4.433 279 I HA 0.309 4.478 4.170 -0.001 0.000 0.322 279 I C -0.155 175.965 176.117 0.006 0.000 1.284 279 I CA -0.079 61.236 61.300 0.024 0.000 1.269 279 I CB 0.588 38.628 38.000 0.066 0.000 1.219 279 I HN 0.619 nan 8.210 nan 0.000 0.436 280 D N -0.138 120.252 120.400 -0.016 0.000 2.825 280 D HA 0.213 4.853 4.640 -0.001 0.000 0.327 280 D C 0.250 176.535 176.300 -0.025 0.000 1.277 280 D CA -0.509 53.480 54.000 -0.018 0.000 0.950 280 D CB 0.615 41.404 40.800 -0.019 0.000 1.438 280 D HN -0.127 nan 8.370 nan 0.000 0.526 281 E N -1.074 119.113 120.200 -0.022 0.000 2.267 281 E HA -0.047 4.302 4.350 -0.001 0.000 0.197 281 E C 1.212 177.794 176.600 -0.031 0.000 0.998 281 E CA 0.920 57.307 56.400 -0.022 0.000 0.830 281 E CB -0.017 29.673 29.700 -0.017 0.000 0.751 281 E HN 0.206 nan 8.360 nan 0.000 0.491 282 R N -0.332 120.141 120.500 -0.045 0.000 2.334 282 R HA 0.301 4.641 4.340 -0.001 0.000 0.216 282 R C 0.781 177.038 176.300 -0.071 0.000 0.905 282 R CA 0.661 56.727 56.100 -0.056 0.000 1.064 282 R CB 0.546 30.806 30.300 -0.067 0.000 1.046 282 R HN 0.206 nan 8.270 nan 0.000 0.508 283 G N -0.591 108.170 108.800 -0.065 0.000 2.418 283 G HA2 -0.114 3.845 3.960 -0.001 0.000 0.206 283 G HA3 -0.114 3.845 3.960 -0.001 0.000 0.206 283 G C -0.180 174.666 174.900 -0.089 0.000 1.202 283 G CA -0.612 44.448 45.100 -0.066 0.000 1.061 283 G HN 0.479 nan 8.290 nan 0.000 0.563 284 G N -2.113 106.629 108.800 -0.098 0.000 3.086 284 G HA2 0.647 4.607 3.960 -0.001 0.000 0.282 284 G HA3 0.647 4.607 3.960 -0.001 0.000 0.282 284 G C -1.560 173.231 174.900 -0.183 0.000 1.343 284 G CA -0.675 44.365 45.100 -0.102 0.000 0.895 284 G HN 0.807 nan 8.290 nan 0.000 0.557 285 Y N 1.085 121.394 120.300 0.014 0.000 2.452 285 Y HA 0.435 4.985 4.550 -0.001 0.000 0.348 285 Y C 1.434 177.356 175.900 0.037 0.000 0.985 285 Y CA 0.198 58.312 58.100 0.022 0.000 1.214 285 Y CB 1.686 40.162 38.460 0.028 0.000 1.136 285 Y HN 0.537 nan 8.280 nan 0.000 0.523 286 A N 1.856 124.743 122.820 0.111 0.000 2.014 286 A HA -0.134 4.185 4.320 -0.001 0.000 0.218 286 A C 1.438 179.095 177.584 0.120 0.000 1.163 286 A CA 1.326 53.415 52.037 0.087 0.000 0.652 286 A CB -0.263 18.746 19.000 0.015 0.000 0.808 286 A HN 0.793 nan 8.150 nan 0.000 0.449 287 D N -0.635 119.840 120.400 0.125 0.000 2.336 287 D HA 0.110 4.750 4.640 -0.001 0.000 0.228 287 D C 0.447 176.893 176.300 0.243 0.000 1.120 287 D CA 0.002 54.030 54.000 0.045 0.000 0.839 287 D CB -0.116 40.681 40.800 -0.005 0.000 0.932 287 D HN 0.381 nan 8.370 nan 0.000 0.509 288 R N -0.765 119.961 120.500 0.377 0.000 2.808 288 R HA 0.724 5.064 4.340 -0.001 0.000 0.272 288 R C -1.636 174.773 176.300 0.182 0.000 0.995 288 R CA -1.144 55.136 56.100 0.299 0.000 0.917 288 R CB 3.121 33.479 30.300 0.097 0.000 1.217 288 R HN -0.012 nan 8.270 nan 0.000 0.471 289 V N 0.668 120.558 119.914 -0.039 0.000 2.969 289 V HA 0.490 4.609 4.120 -0.001 0.000 0.304 289 V C -1.457 174.549 176.094 -0.146 0.000 1.192 289 V CA -0.260 61.929 62.300 -0.185 0.000 0.962 289 V CB 2.668 34.179 31.823 -0.519 0.000 1.045 289 V HN 0.806 nan 8.190 nan 0.000 0.428 290 T N 7.692 122.182 114.554 -0.106 0.000 2.792 290 T HA 0.601 4.950 4.350 -0.001 0.000 0.280 290 T C -0.870 173.779 174.700 -0.085 0.000 0.990 290 T CA -0.414 61.638 62.100 -0.080 0.000 0.960 290 T CB 1.056 69.894 68.868 -0.049 0.000 0.939 290 T HN 0.447 nan 8.240 nan 0.000 0.439 291 L N 3.656 124.830 121.223 -0.081 0.000 2.322 291 L HA 0.581 4.921 4.340 -0.001 0.000 0.279 291 L C 0.460 177.295 176.870 -0.058 0.000 1.036 291 L CA -0.411 54.385 54.840 -0.075 0.000 0.807 291 L CB 1.285 43.297 42.059 -0.078 0.000 1.226 291 L HN 0.559 nan 8.230 nan 0.000 0.433 292 R N 4.248 124.716 120.500 -0.055 0.000 2.451 292 R HA 0.656 4.996 4.340 -0.001 0.000 0.307 292 R C -1.176 175.094 176.300 -0.050 0.000 0.965 292 R CA -0.630 55.439 56.100 -0.052 0.000 0.865 292 R CB 1.908 32.179 30.300 -0.049 0.000 1.174 292 R HN 0.473 nan 8.270 nan 0.000 0.455 293 L N 2.557 123.752 121.223 -0.048 0.000 2.329 293 L HA 0.481 4.821 4.340 -0.001 0.000 0.279 293 L C -0.149 176.695 176.870 -0.043 0.000 1.014 293 L CA -1.198 53.615 54.840 -0.045 0.000 0.814 293 L CB 1.567 43.602 42.059 -0.041 0.000 1.257 293 L HN 0.428 nan 8.230 nan 0.000 0.424 294 N N 2.056 120.725 118.700 -0.050 0.000 2.499 294 N HA 0.415 5.155 4.740 -0.001 0.000 0.281 294 N C -0.850 174.618 175.510 -0.070 0.000 1.098 294 N CA -0.250 52.768 53.050 -0.054 0.000 0.979 294 N CB 2.637 41.094 38.487 -0.049 0.000 1.121 294 N HN 0.228 nan 8.380 nan 0.000 0.466 295 V N 2.326 122.188 119.914 -0.087 0.000 2.447 295 V HA 0.164 4.284 4.120 -0.001 0.000 0.292 295 V C -0.234 175.786 176.094 -0.123 0.000 1.021 295 V CA -0.853 61.353 62.300 -0.157 0.000 0.850 295 V CB 1.702 33.320 31.823 -0.341 0.000 1.005 295 V HN 0.468 nan 8.190 nan 0.000 0.426 296 E N 2.928 123.078 120.200 -0.084 0.000 2.301 296 E HA 0.281 4.630 4.350 -0.001 0.000 0.275 296 E C 0.286 176.866 176.600 -0.033 0.000 1.030 296 E CA -0.395 55.980 56.400 -0.041 0.000 0.852 296 E CB 0.493 30.177 29.700 -0.026 0.000 1.060 296 E HN 0.735 nan 8.360 nan 0.000 0.401 297 N N 0.894 119.599 118.700 0.007 0.000 2.699 297 N HA -0.150 4.590 4.740 -0.001 0.000 0.256 297 N C -2.448 173.070 175.510 0.013 0.000 0.993 297 N CA 0.260 53.328 53.050 0.030 0.000 0.759 297 N CB -1.117 37.386 38.487 0.026 0.000 0.906 297 N HN 0.355 nan 8.380 nan 0.000 0.541 298 P HA -0.014 nan 4.420 nan 0.000 0.268 298 P C -0.516 176.817 177.300 0.056 0.000 1.205 298 P CA 0.356 63.373 63.100 -0.139 0.000 0.771 298 P CB 0.744 32.216 31.700 -0.380 0.000 0.858 299 K N 2.959 123.466 120.400 0.177 0.000 2.316 299 K HA 0.288 4.608 4.320 -0.001 0.000 0.289 299 K C 0.231 176.985 176.600 0.256 0.000 1.070 299 K CA -0.430 55.962 56.287 0.175 0.000 0.928 299 K CB 0.215 32.784 32.500 0.115 0.000 1.039 299 K HN 0.430 nan 8.250 nan 0.000 0.480 300 L N 2.721 124.027 121.223 0.140 0.000 2.397 300 L HA 0.249 4.588 4.340 -0.001 0.000 0.271 300 L C 0.022 176.961 176.870 0.115 0.000 1.148 300 L CA -0.692 54.223 54.840 0.125 0.000 0.825 300 L CB 0.308 42.282 42.059 -0.143 0.000 1.117 300 L HN 0.607 nan 8.230 nan 0.000 0.456 301 W N 3.776 125.100 121.300 0.040 0.000 2.365 301 W HA 0.486 5.145 4.660 -0.001 0.000 0.316 301 W C 0.048 176.522 176.519 -0.075 0.000 1.164 301 W CA 0.116 57.477 57.345 0.026 0.000 1.204 301 W CB 1.295 30.827 29.460 0.120 0.000 1.213 301 W HN 0.641 nan 8.180 nan 0.000 0.539 302 S N 2.926 118.065 115.700 -0.934 0.000 2.643 302 S HA 0.630 5.099 4.470 -0.001 0.000 0.270 302 S C 0.022 173.857 174.600 -1.276 0.000 1.166 302 S CA -0.361 57.345 58.200 -0.824 0.000 0.815 302 S CB 1.057 64.033 63.200 -0.372 0.000 1.139 302 S HN 1.026 nan 8.310 nan 0.000 0.472 303 A N 0.268 122.512 122.820 -0.960 0.000 2.066 303 A HA 0.125 4.445 4.320 -0.001 0.000 0.218 303 A C 1.716 178.994 177.584 -0.510 0.000 1.157 303 A CA 1.270 52.737 52.037 -0.950 0.000 0.670 303 A CB -0.870 17.391 19.000 -1.232 0.000 0.804 303 A HN 0.852 nan 8.150 nan 0.000 0.453 304 E N -0.694 119.336 120.200 -0.283 0.000 2.051 304 E HA 0.076 4.426 4.350 -0.001 0.000 0.189 304 E C -0.224 176.251 176.600 -0.209 0.000 0.979 304 E CA 0.706 57.006 56.400 -0.166 0.000 0.803 304 E CB 0.050 29.781 29.700 0.052 0.000 0.761 304 E HN 0.584 nan 8.360 nan 0.000 0.451 305 I N 1.991 122.412 120.570 -0.249 0.000 2.583 305 I HA 0.154 4.324 4.170 -0.001 0.000 0.276 305 I C -2.428 173.482 176.117 -0.345 0.000 1.089 305 I CA -1.846 59.326 61.300 -0.214 0.000 1.103 305 I CB 2.089 40.014 38.000 -0.125 0.000 1.209 305 I HN -0.190 nan 8.210 nan 0.000 0.484 306 P HA 0.023 nan 4.420 nan 0.000 0.231 306 P C -0.530 176.795 177.300 0.041 0.000 1.756 306 P CA -0.149 62.691 63.100 -0.433 0.000 0.990 306 P CB -0.267 31.328 31.700 -0.175 0.000 1.973 307 N N 1.771 120.509 118.700 0.064 0.000 2.447 307 N HA 0.095 4.835 4.740 -0.001 0.000 0.263 307 N C 0.109 175.836 175.510 0.362 0.000 1.226 307 N CA 0.535 53.681 53.050 0.159 0.000 0.906 307 N CB 0.685 39.254 38.487 0.136 0.000 1.060 307 N HN 0.348 nan 8.380 nan 0.000 0.468 308 L N 2.610 123.962 121.223 0.215 0.000 2.370 308 L HA 0.469 4.809 4.340 -0.001 0.000 0.266 308 L C -0.822 176.131 176.870 0.138 0.000 1.002 308 L CA -0.854 54.152 54.840 0.277 0.000 0.818 308 L CB 1.307 43.503 42.059 0.228 0.000 1.325 308 L HN 0.388 nan 8.230 nan 0.000 0.418 309 Y N 0.485 120.928 120.300 0.239 0.000 2.621 309 Y HA 0.649 5.199 4.550 -0.001 0.000 0.334 309 Y C -0.174 175.844 175.900 0.196 0.000 1.074 309 Y CA -0.852 57.388 58.100 0.233 0.000 1.149 309 Y CB 1.676 40.331 38.460 0.325 0.000 1.302 309 Y HN 0.377 nan 8.280 nan 0.000 0.501 310 R N 1.127 121.856 120.500 0.382 0.000 2.393 310 R HA 0.790 5.129 4.340 -0.001 0.000 0.315 310 R C -1.628 174.851 176.300 0.299 0.000 0.952 310 R CA -0.559 55.697 56.100 0.259 0.000 0.842 310 R CB 0.974 31.363 30.300 0.149 0.000 1.163 310 R HN 0.732 nan 8.270 nan 0.000 0.450 311 A N 3.958 126.895 122.820 0.195 0.000 2.276 311 A HA 0.598 4.917 4.320 -0.001 0.000 0.316 311 A C -1.003 176.621 177.584 0.066 0.000 1.229 311 A CA -0.645 51.480 52.037 0.147 0.000 0.851 311 A CB 1.218 20.267 19.000 0.082 0.000 1.165 311 A HN 0.489 nan 8.150 nan 0.000 0.513 312 V N 3.813 123.780 119.914 0.088 0.000 2.357 312 V HA 0.304 4.423 4.120 -0.001 0.000 0.284 312 V C -0.270 175.797 176.094 -0.046 0.000 1.018 312 V CA -0.479 61.821 62.300 -0.000 0.000 0.841 312 V CB 1.501 33.350 31.823 0.044 0.000 0.991 312 V HN 0.611 nan 8.190 nan 0.000 0.437 313 V N 5.110 124.929 119.914 -0.158 0.000 2.318 313 V HA 0.360 4.479 4.120 -0.001 0.000 0.271 313 V C 0.164 176.212 176.094 -0.077 0.000 1.030 313 V CA -0.503 61.687 62.300 -0.184 0.000 0.844 313 V CB 0.909 32.473 31.823 -0.431 0.000 1.015 313 V HN 0.887 nan 8.190 nan 0.000 0.460 314 E N 3.960 124.165 120.200 0.009 0.000 2.134 314 E HA 0.438 4.788 4.350 -0.001 0.000 0.278 314 E C -0.926 175.757 176.600 0.138 0.000 0.959 314 E CA -0.835 55.623 56.400 0.097 0.000 0.783 314 E CB 2.281 32.078 29.700 0.163 0.000 1.095 314 E HN 0.468 nan 8.360 nan 0.000 0.399 315 L N 5.043 126.328 121.223 0.103 0.000 2.264 315 L HA 0.360 4.699 4.340 -0.001 0.000 0.289 315 L C -0.892 176.062 176.870 0.140 0.000 1.044 315 L CA 0.125 55.013 54.840 0.080 0.000 0.807 315 L CB -0.026 42.078 42.059 0.074 0.000 1.192 315 L HN 0.645 nan 8.230 nan 0.000 0.425 316 H N 0.270 119.400 119.070 0.100 0.000 2.918 316 H HA 0.727 5.282 4.556 -0.001 0.000 0.303 316 H C -0.735 174.678 175.328 0.142 0.000 1.380 316 H CA -0.487 55.617 56.048 0.095 0.000 1.134 316 H CB 0.507 30.304 29.762 0.058 0.000 1.842 316 H HN 0.492 nan 8.280 nan 0.000 0.533 317 T N -2.050 112.689 114.554 0.307 0.000 2.899 317 T HA 0.516 4.866 4.350 -0.001 0.000 0.284 317 T C 1.448 176.348 174.700 0.333 0.000 1.004 317 T CA -0.326 61.941 62.100 0.279 0.000 1.043 317 T CB 1.376 70.318 68.868 0.122 0.000 1.013 317 T HN 0.955 nan 8.240 nan 0.000 0.518 318 A N 1.011 123.976 122.820 0.242 0.000 1.978 318 A HA -0.095 4.225 4.320 -0.001 0.000 0.220 318 A C 1.944 179.624 177.584 0.160 0.000 1.170 318 A CA 1.583 53.740 52.037 0.199 0.000 0.636 318 A CB -0.866 18.222 19.000 0.147 0.000 0.810 318 A HN 0.942 nan 8.150 nan 0.000 0.448 319 D N -1.342 119.128 120.400 0.117 0.000 2.269 319 D HA 0.103 4.743 4.640 -0.001 0.000 0.208 319 D C 1.357 177.683 176.300 0.044 0.000 0.963 319 D CA 1.315 55.349 54.000 0.058 0.000 0.864 319 D CB -0.030 40.781 40.800 0.019 0.000 0.936 319 D HN 0.687 nan 8.370 nan 0.000 0.505 320 G N 0.706 109.551 108.800 0.075 0.000 2.159 320 G HA2 -0.189 3.770 3.960 -0.001 0.000 0.170 320 G HA3 -0.189 3.770 3.960 -0.001 0.000 0.170 320 G C 0.189 175.083 174.900 -0.010 0.000 1.007 320 G CA -0.151 44.935 45.100 -0.022 0.000 0.672 320 G HN 0.199 nan 8.290 nan 0.000 0.507 321 T N 1.760 116.347 114.554 0.054 0.000 2.749 321 T HA 0.531 4.880 4.350 -0.001 0.000 0.295 321 T C 0.238 174.996 174.700 0.097 0.000 0.936 321 T CA -0.264 61.863 62.100 0.045 0.000 1.060 321 T CB 2.019 70.901 68.868 0.024 0.000 0.904 321 T HN 0.521 nan 8.240 nan 0.000 0.500 322 L N 4.659 125.922 121.223 0.065 0.000 2.380 322 L HA 0.377 4.716 4.340 -0.001 0.000 0.273 322 L C 0.662 177.582 176.870 0.083 0.000 1.138 322 L CA 0.288 55.184 54.840 0.093 0.000 0.832 322 L CB 0.075 42.164 42.059 0.049 0.000 1.124 322 L HN 0.712 nan 8.230 nan 0.000 0.454 323 I N 2.346 122.974 120.570 0.098 0.000 2.947 323 I HA 0.190 4.359 4.170 -0.001 0.000 0.263 323 I C 0.228 176.369 176.117 0.039 0.000 1.130 323 I CA 0.314 61.652 61.300 0.063 0.000 1.448 323 I CB 0.280 38.320 38.000 0.068 0.000 1.222 323 I HN 0.813 nan 8.210 nan 0.000 0.453 324 E N 0.489 120.717 120.200 0.046 0.000 2.403 324 E HA 0.648 4.997 4.350 -0.001 0.000 0.280 324 E C -1.785 174.842 176.600 0.045 0.000 1.101 324 E CA -0.960 55.458 56.400 0.030 0.000 0.856 324 E CB 1.657 31.339 29.700 -0.030 0.000 1.303 324 E HN -0.023 nan 8.360 nan 0.000 0.441 325 A N 1.590 124.459 122.820 0.081 0.000 2.455 325 A HA 0.686 5.005 4.320 -0.001 0.000 0.300 325 A C -1.141 176.559 177.584 0.194 0.000 1.040 325 A CA -0.747 51.344 52.037 0.091 0.000 0.697 325 A CB 1.821 20.869 19.000 0.080 0.000 1.265 325 A HN 0.498 nan 8.150 nan 0.000 0.407 326 E N -0.129 120.123 120.200 0.088 0.000 2.339 326 E HA 0.864 5.213 4.350 -0.001 0.000 0.262 326 E C -0.354 176.308 176.600 0.104 0.000 0.934 326 E CA -0.444 56.077 56.400 0.202 0.000 0.802 326 E CB 2.384 32.117 29.700 0.055 0.000 1.275 326 E HN 1.210 nan 8.360 nan 0.000 0.427 327 A N -0.148 122.841 122.820 0.282 0.000 2.586 327 A HA 0.751 5.070 4.320 -0.001 0.000 0.290 327 A C -1.192 176.575 177.584 0.305 0.000 1.086 327 A CA -0.334 51.776 52.037 0.121 0.000 0.665 327 A CB 0.817 19.806 19.000 -0.018 0.000 1.279 327 A HN 0.885 nan 8.150 nan 0.000 0.423 328 C N -0.662 118.767 119.300 0.216 0.000 3.312 328 C HA 0.774 5.234 4.460 -0.001 0.000 0.332 328 C C -1.558 173.531 174.990 0.166 0.000 1.340 328 C CA -0.943 58.219 59.018 0.241 0.000 1.265 328 C CB 1.007 28.930 27.740 0.306 0.000 1.563 328 C HN 0.823 nan 8.230 nan 0.000 0.471 329 D N 1.136 121.626 120.400 0.150 0.000 2.302 329 D HA 0.545 5.184 4.640 -0.001 0.000 0.248 329 D C -0.345 176.024 176.300 0.114 0.000 1.094 329 D CA 0.145 54.233 54.000 0.146 0.000 0.897 329 D CB 1.914 42.804 40.800 0.150 0.000 1.200 329 D HN 0.558 nan 8.370 nan 0.000 0.429 330 V N 1.036 121.045 119.914 0.159 0.000 2.495 330 V HA 0.644 4.764 4.120 -0.001 0.000 0.298 330 V C 0.591 176.788 176.094 0.173 0.000 1.031 330 V CA -0.843 61.512 62.300 0.092 0.000 0.871 330 V CB 1.971 33.830 31.823 0.061 0.000 0.988 330 V HN 0.618 nan 8.190 nan 0.000 0.432 331 G N 3.270 112.066 108.800 -0.005 0.000 2.533 331 G HA2 0.594 4.554 3.960 -0.001 0.000 0.310 331 G HA3 0.594 4.554 3.960 -0.001 0.000 0.310 331 G C -0.931 174.067 174.900 0.163 0.000 1.266 331 G CA -0.383 44.781 45.100 0.106 0.000 0.967 331 G HN 0.425 nan 8.290 nan 0.000 0.493 332 F N 4.083 124.220 119.950 0.312 0.000 2.462 332 F HA 0.404 4.930 4.527 -0.001 0.000 0.360 332 F C 1.206 177.279 175.800 0.456 0.000 1.134 332 F CA -0.083 58.172 58.000 0.423 0.000 1.148 332 F CB 0.557 39.816 39.000 0.432 0.000 1.147 332 F HN 0.460 nan 8.300 nan 0.000 0.550 333 R N 2.901 123.720 120.500 0.533 0.000 2.663 333 R HA 0.415 4.754 4.340 -0.001 0.000 0.267 333 R C -1.844 174.627 176.300 0.285 0.000 1.038 333 R CA -0.802 55.439 56.100 0.235 0.000 0.886 333 R CB 1.667 32.134 30.300 0.279 0.000 1.249 333 R HN 0.579 nan 8.270 nan 0.000 0.463 334 E N 2.273 122.541 120.200 0.113 0.000 2.187 334 E HA 0.462 4.811 4.350 -0.001 0.000 0.268 334 E C -1.276 175.403 176.600 0.132 0.000 0.896 334 E CA -0.910 55.633 56.400 0.240 0.000 0.766 334 E CB 2.167 32.090 29.700 0.371 0.000 1.142 334 E HN 0.400 nan 8.360 nan 0.000 0.408 335 V N 5.477 125.461 119.914 0.118 0.000 2.448 335 V HA 0.595 4.714 4.120 -0.001 0.000 0.295 335 V C -0.247 175.891 176.094 0.074 0.000 1.025 335 V CA -0.598 61.742 62.300 0.067 0.000 0.859 335 V CB 1.315 33.157 31.823 0.031 0.000 0.988 335 V HN 0.760 nan 8.190 nan 0.000 0.431 336 R N 4.208 124.747 120.500 0.066 0.000 2.692 336 R HA 0.697 5.036 4.340 -0.001 0.000 0.269 336 R C -2.124 174.206 176.300 0.049 0.000 1.030 336 R CA -0.938 55.202 56.100 0.066 0.000 0.882 336 R CB 1.788 32.140 30.300 0.087 0.000 1.250 336 R HN 0.501 nan 8.270 nan 0.000 0.465 337 I N 1.369 121.968 120.570 0.047 0.000 2.355 337 I HA 0.344 4.513 4.170 -0.001 0.000 0.288 337 I C -0.640 175.500 176.117 0.039 0.000 0.999 337 I CA -0.457 60.864 61.300 0.036 0.000 1.163 337 I CB 1.808 39.830 38.000 0.037 0.000 1.316 337 I HN 0.678 nan 8.210 nan 0.000 0.454 338 E N 5.964 126.184 120.200 0.034 0.000 2.246 338 E HA 0.251 4.600 4.350 -0.001 0.000 0.266 338 E C -0.267 176.348 176.600 0.024 0.000 0.880 338 E CA -0.567 55.854 56.400 0.034 0.000 0.762 338 E CB 1.059 30.785 29.700 0.043 0.000 1.180 338 E HN 0.551 nan 8.360 nan 0.000 0.416 339 N N 3.317 122.031 118.700 0.022 0.000 2.735 339 N HA -0.229 4.511 4.740 -0.001 0.000 0.248 339 N C 0.413 175.930 175.510 0.011 0.000 1.083 339 N CA 1.910 54.969 53.050 0.016 0.000 0.703 339 N CB -1.176 37.320 38.487 0.014 0.000 1.005 339 N HN 0.951 nan 8.380 nan 0.000 0.550 340 G N -2.106 106.700 108.800 0.011 0.000 2.159 340 G HA2 -0.284 3.675 3.960 -0.001 0.000 0.256 340 G HA3 -0.284 3.675 3.960 -0.001 0.000 0.256 340 G C -0.080 174.816 174.900 -0.007 0.000 0.977 340 G CA 0.528 45.630 45.100 0.004 0.000 0.652 340 G HN 0.473 nan 8.290 nan 0.000 0.531 341 L N 0.033 121.254 121.223 -0.005 0.000 2.346 341 L HA 0.687 5.026 4.340 -0.001 0.000 0.276 341 L C 0.091 176.953 176.870 -0.014 0.000 1.006 341 L CA -1.327 53.503 54.840 -0.017 0.000 0.817 341 L CB 1.845 43.895 42.059 -0.015 0.000 1.272 341 L HN 0.095 nan 8.230 nan 0.000 0.421 342 L N 4.679 125.882 121.223 -0.034 0.000 2.315 342 L HA 0.444 4.784 4.340 -0.001 0.000 0.283 342 L C -0.834 176.015 176.870 -0.034 0.000 1.089 342 L CA 0.399 55.220 54.840 -0.032 0.000 0.833 342 L CB 0.329 42.354 42.059 -0.056 0.000 1.170 342 L HN 0.386 nan 8.230 nan 0.000 0.442 343 L N 5.803 127.022 121.223 -0.006 0.000 2.346 343 L HA 0.560 4.899 4.340 -0.001 0.000 0.274 343 L C -0.894 175.985 176.870 0.014 0.000 1.007 343 L CA -0.895 53.950 54.840 0.009 0.000 0.818 343 L CB 1.922 44.009 42.059 0.046 0.000 1.284 343 L HN 0.522 nan 8.230 nan 0.000 0.424 344 L N 3.613 124.852 121.223 0.026 0.000 2.325 344 L HA 0.503 4.843 4.340 -0.001 0.000 0.281 344 L C -0.091 176.780 176.870 0.002 0.000 1.004 344 L CA 0.044 54.899 54.840 0.026 0.000 0.823 344 L CB 1.048 43.129 42.059 0.037 0.000 1.236 344 L HN 0.573 nan 8.230 nan 0.000 0.415 345 N N 4.323 122.894 118.700 -0.215 0.000 2.716 345 N HA -0.227 4.512 4.740 -0.001 0.000 0.250 345 N C 0.983 176.123 175.510 -0.618 0.000 1.033 345 N CA 1.340 53.904 53.050 -0.809 0.000 0.727 345 N CB -1.220 36.678 38.487 -0.981 0.000 0.950 345 N HN 1.220 nan 8.380 nan 0.000 0.541 346 G N -2.037 106.734 108.800 -0.049 0.000 2.184 346 G HA2 -0.353 3.606 3.960 -0.001 0.000 0.264 346 G HA3 -0.353 3.606 3.960 -0.001 0.000 0.264 346 G C -0.048 174.898 174.900 0.077 0.000 0.975 346 G CA 0.894 46.076 45.100 0.137 0.000 0.642 346 G HN 0.417 nan 8.290 nan 0.000 0.536 347 K N 0.891 121.329 120.400 0.064 0.000 2.207 347 K HA 0.507 4.827 4.320 -0.001 0.000 0.255 347 K C -2.692 173.893 176.600 -0.025 0.000 0.941 347 K CA -2.269 54.017 56.287 -0.001 0.000 0.825 347 K CB 2.522 34.953 32.500 -0.116 0.000 1.119 347 K HN 0.099 nan 8.250 nan 0.000 0.430 348 P HA 0.154 nan 4.420 nan 0.000 0.276 348 P C -0.187 177.055 177.300 -0.097 0.000 1.253 348 P CA -0.140 62.920 63.100 -0.067 0.000 0.766 348 P CB 0.564 32.226 31.700 -0.062 0.000 0.845 349 L N 3.695 124.856 121.223 -0.104 0.000 2.453 349 L HA 0.310 4.649 4.340 -0.001 0.000 0.261 349 L C 0.664 177.455 176.870 -0.132 0.000 1.179 349 L CA -0.682 54.085 54.840 -0.123 0.000 0.813 349 L CB 0.449 42.395 42.059 -0.188 0.000 1.110 349 L HN 0.284 nan 8.230 nan 0.000 0.466 350 L N 3.637 124.797 121.223 -0.105 0.000 2.442 350 L HA 0.403 4.742 4.340 -0.001 0.000 0.261 350 L C -0.530 176.290 176.870 -0.084 0.000 1.000 350 L CA -0.301 54.459 54.840 -0.133 0.000 0.882 350 L CB 0.868 42.883 42.059 -0.073 0.000 1.207 350 L HN 0.232 nan 8.230 nan 0.000 0.443 351 I N 4.648 125.098 120.570 -0.200 0.000 2.494 351 I HA 0.146 4.316 4.170 -0.001 0.000 0.289 351 I C 0.670 176.736 176.117 -0.084 0.000 1.106 351 I CA 0.363 61.551 61.300 -0.187 0.000 1.369 351 I CB 0.120 37.885 38.000 -0.393 0.000 1.410 351 I HN 0.540 nan 8.210 nan 0.000 0.523 352 R N 4.766 125.309 120.500 0.072 0.000 3.256 352 R HA 0.446 4.786 4.340 -0.001 0.000 0.263 352 R C 0.542 176.945 176.300 0.172 0.000 1.388 352 R CA -0.269 55.928 56.100 0.161 0.000 1.580 352 R CB 0.859 31.095 30.300 -0.108 0.000 1.255 352 R HN 0.782 nan 8.270 nan 0.000 0.640 353 G N -0.013 108.834 108.800 0.079 0.000 2.552 353 G HA2 0.614 4.573 3.960 -0.001 0.000 0.324 353 G HA3 0.614 4.573 3.960 -0.001 0.000 0.324 353 G C -1.305 173.897 174.900 0.504 0.000 1.217 353 G CA -0.461 44.707 45.100 0.112 0.000 0.989 353 G HN 0.206 nan 8.290 nan 0.000 0.490 354 V N -0.251 119.964 119.914 0.502 0.000 3.048 354 V HA 0.467 4.586 4.120 -0.001 0.000 0.303 354 V C -1.246 174.999 176.094 0.251 0.000 1.214 354 V CA -1.197 61.299 62.300 0.327 0.000 0.984 354 V CB 2.254 34.025 31.823 -0.087 0.000 1.054 354 V HN 0.764 nan 8.190 nan 0.000 0.430 355 N N 4.025 122.785 118.700 0.101 0.000 2.499 355 N HA 0.457 5.196 4.740 -0.001 0.000 0.281 355 N C -0.769 174.552 175.510 -0.315 0.000 1.098 355 N CA -0.341 52.628 53.050 -0.136 0.000 0.979 355 N CB 1.616 39.996 38.487 -0.178 0.000 1.121 355 N HN 0.624 nan 8.380 nan 0.000 0.466 356 R N 1.973 122.252 120.500 -0.368 0.000 2.502 356 R HA 0.241 4.580 4.340 -0.001 0.000 0.300 356 R C -0.983 175.066 176.300 -0.417 0.000 0.984 356 R CA -0.553 55.340 56.100 -0.344 0.000 0.882 356 R CB 0.871 30.945 30.300 -0.376 0.000 1.180 356 R HN 0.577 nan 8.270 nan 0.000 0.444 357 H N 2.100 121.012 119.070 -0.264 0.000 2.495 357 H HA 0.180 4.735 4.556 -0.001 0.000 0.350 357 H C -0.508 174.800 175.328 -0.034 0.000 1.202 357 H CA -0.161 55.816 56.048 -0.120 0.000 1.322 357 H CB 1.601 31.348 29.762 -0.026 0.000 1.544 357 H HN 0.576 nan 8.280 nan 0.000 0.565 358 E N 1.892 122.264 120.200 0.287 0.000 2.001 358 E HA 0.118 4.467 4.350 -0.001 0.000 0.279 358 E C -0.723 176.013 176.600 0.228 0.000 1.045 358 E CA -0.064 56.433 56.400 0.162 0.000 0.833 358 E CB 0.403 30.213 29.700 0.184 0.000 1.077 358 E HN 0.375 nan 8.360 nan 0.000 0.397 359 H N 1.673 120.791 119.070 0.079 0.000 2.865 359 H HA 0.267 4.823 4.556 -0.001 0.000 0.362 359 H C -1.650 173.723 175.328 0.075 0.000 1.114 359 H CA -0.627 55.464 56.048 0.072 0.000 1.208 359 H CB 1.136 30.929 29.762 0.051 0.000 1.727 359 H HN 0.403 nan 8.280 nan 0.000 0.534 360 H N 6.024 124.706 119.070 -0.647 0.000 2.667 360 H HA 0.209 4.764 4.556 -0.001 0.000 0.353 360 H C -2.289 172.639 175.328 -0.667 0.000 1.072 360 H CA -2.327 53.461 56.048 -0.434 0.000 1.214 360 H CB 2.892 32.552 29.762 -0.170 0.000 1.600 360 H HN 0.545 nan 8.280 nan 0.000 0.527 361 P HA -0.122 nan 4.420 nan 0.000 0.220 361 P C 1.159 178.348 177.300 -0.185 0.000 1.148 361 P CA 0.602 63.537 63.100 -0.276 0.000 0.803 361 P CB 0.911 32.492 31.700 -0.198 0.000 0.782 362 L N -1.253 119.949 121.223 -0.034 0.000 2.388 362 L HA 0.163 4.503 4.340 -0.001 0.000 0.209 362 L C 2.040 178.733 176.870 -0.295 0.000 1.061 362 L CA 1.247 55.966 54.840 -0.201 0.000 0.834 362 L CB -0.685 41.169 42.059 -0.341 0.000 1.029 362 L HN -0.068 nan 8.230 nan 0.000 0.473 363 H N -0.759 118.303 119.070 -0.013 0.000 2.549 363 H HA 0.464 5.020 4.556 -0.001 0.000 0.279 363 H C 1.390 176.622 175.328 -0.161 0.000 1.018 363 H CA 0.351 56.306 56.048 -0.154 0.000 1.175 363 H CB -0.010 29.571 29.762 -0.301 0.000 1.485 363 H HN 0.352 nan 8.280 nan 0.000 0.543 364 G N 1.812 110.531 108.800 -0.135 0.000 2.601 364 G HA2 -0.364 3.595 3.960 -0.001 0.000 0.306 364 G HA3 -0.364 3.595 3.960 -0.001 0.000 0.306 364 G C 0.704 175.518 174.900 -0.142 0.000 1.172 364 G CA 0.428 45.400 45.100 -0.215 0.000 0.966 364 G HN 0.465 nan 8.290 nan 0.000 0.542 365 Q N -0.007 119.734 119.800 -0.099 0.000 2.188 365 Q HA 0.478 4.818 4.340 -0.001 0.000 0.212 365 Q C 0.055 176.119 176.000 0.108 0.000 0.846 365 Q CA -0.149 55.636 55.803 -0.030 0.000 0.989 365 Q CB 1.504 30.130 28.738 -0.187 0.000 1.114 365 Q HN 0.340 nan 8.270 nan 0.000 0.488 366 V N 2.251 122.216 119.914 0.085 0.000 2.432 366 V HA 0.199 4.318 4.120 -0.001 0.000 0.271 366 V C 0.168 176.299 176.094 0.061 0.000 1.046 366 V CA -0.006 62.354 62.300 0.101 0.000 0.945 366 V CB 0.915 32.739 31.823 0.002 0.000 0.992 366 V HN 0.340 nan 8.190 nan 0.000 0.471 367 M N 5.262 124.908 119.600 0.078 0.000 2.409 367 M HA 0.513 4.992 4.480 -0.001 0.000 0.329 367 M C -0.323 175.930 176.300 -0.079 0.000 1.180 367 M CA -0.380 54.922 55.300 0.003 0.000 1.053 367 M CB 1.705 34.284 32.600 -0.036 0.000 1.586 367 M HN 0.818 nan 8.290 nan 0.000 0.461 368 D N 0.026 120.382 120.400 -0.074 0.000 2.581 368 D HA 0.220 4.859 4.640 -0.001 0.000 0.232 368 D C 0.071 176.344 176.300 -0.046 0.000 1.143 368 D CA -0.480 53.477 54.000 -0.072 0.000 0.881 368 D CB 1.883 42.658 40.800 -0.042 0.000 1.500 368 D HN 0.698 nan 8.370 nan 0.000 0.458 369 E N 0.297 120.482 120.200 -0.025 0.000 2.058 369 E HA -0.298 4.051 4.350 -0.001 0.000 0.194 369 E C 1.821 178.456 176.600 0.059 0.000 0.997 369 E CA 1.515 57.929 56.400 0.023 0.000 0.801 369 E CB 0.161 29.892 29.700 0.050 0.000 0.746 369 E HN 0.567 nan 8.360 nan 0.000 0.450 370 Q N -0.341 119.496 119.800 0.063 0.000 2.045 370 Q HA -0.184 4.155 4.340 -0.001 0.000 0.206 370 Q C 2.042 178.101 176.000 0.099 0.000 0.991 370 Q CA 2.518 58.369 55.803 0.081 0.000 0.851 370 Q CB -0.091 28.697 28.738 0.084 0.000 0.911 370 Q HN 0.256 nan 8.270 nan 0.000 0.418 371 T N 0.760 115.385 114.554 0.118 0.000 2.746 371 T HA -0.137 4.212 4.350 -0.001 0.000 0.267 371 T C 1.805 176.588 174.700 0.138 0.000 1.039 371 T CA 1.557 63.745 62.100 0.147 0.000 1.142 371 T CB -0.159 68.833 68.868 0.207 0.000 0.866 371 T HN 0.311 nan 8.240 nan 0.000 0.444 372 M N 0.497 120.179 119.600 0.137 0.000 2.117 372 M HA -0.089 4.390 4.480 -0.001 0.000 0.262 372 M C 2.459 178.869 176.300 0.183 0.000 1.065 372 M CA 1.305 56.757 55.300 0.253 0.000 1.114 372 M CB -0.533 32.237 32.600 0.284 0.000 1.361 372 M HN 0.098 nan 8.290 nan 0.000 0.408 373 V N 0.188 120.145 119.914 0.071 0.000 2.358 373 V HA -0.286 3.834 4.120 -0.001 0.000 0.246 373 V C 2.302 178.367 176.094 -0.048 0.000 1.047 373 V CA 2.003 64.273 62.300 -0.049 0.000 1.035 373 V CB -0.802 31.028 31.823 0.012 0.000 0.658 373 V HN 0.560 nan 8.190 nan 0.000 0.452 374 Q N -0.221 119.606 119.800 0.046 0.000 2.096 374 Q HA -0.271 4.068 4.340 -0.001 0.000 0.204 374 Q C 1.945 178.006 176.000 0.101 0.000 0.982 374 Q CA 2.203 58.052 55.803 0.076 0.000 0.850 374 Q CB -0.139 28.664 28.738 0.108 0.000 0.901 374 Q HN 0.608 nan 8.270 nan 0.000 0.422 375 D N 0.374 120.851 120.400 0.129 0.000 2.097 375 D HA -0.148 4.492 4.640 -0.001 0.000 0.195 375 D C 1.955 178.196 176.300 -0.099 0.000 0.989 375 D CA 1.253 55.325 54.000 0.120 0.000 0.827 375 D CB -0.222 40.642 40.800 0.107 0.000 0.966 375 D HN 0.363 nan 8.370 nan 0.000 0.456 376 I N 0.711 121.202 120.570 -0.132 0.000 2.208 376 I HA -0.252 3.918 4.170 -0.001 0.000 0.245 376 I C 2.454 178.415 176.117 -0.260 0.000 1.097 376 I CA 0.710 61.823 61.300 -0.312 0.000 1.363 376 I CB -0.188 37.492 38.000 -0.532 0.000 1.051 376 I HN 0.004 nan 8.210 nan 0.000 0.413 377 L N 0.091 121.201 121.223 -0.187 0.000 2.017 377 L HA -0.234 4.105 4.340 -0.001 0.000 0.208 377 L C 2.580 179.507 176.870 0.095 0.000 1.073 377 L CA 1.408 56.238 54.840 -0.016 0.000 0.745 377 L CB -0.598 41.477 42.059 0.028 0.000 0.894 377 L HN 0.284 nan 8.230 nan 0.000 0.432 378 L N -0.982 120.314 121.223 0.122 0.000 2.046 378 L HA -0.250 4.090 4.340 -0.001 0.000 0.208 378 L C 2.695 179.716 176.870 0.251 0.000 1.077 378 L CA 1.382 56.376 54.840 0.256 0.000 0.747 378 L CB -0.303 42.007 42.059 0.418 0.000 0.896 378 L HN 0.290 nan 8.230 nan 0.000 0.432 379 M N -0.604 118.974 119.600 -0.037 0.000 2.067 379 M HA -0.245 4.234 4.480 -0.001 0.000 0.260 379 M C 2.291 178.656 176.300 0.108 0.000 1.069 379 M CA 1.901 57.100 55.300 -0.169 0.000 1.117 379 M CB -0.325 31.932 32.600 -0.572 0.000 1.334 379 M HN 0.056 nan 8.290 nan 0.000 0.407 380 K N -0.133 120.215 120.400 -0.086 0.000 2.147 380 K HA -0.170 4.150 4.320 -0.001 0.000 0.205 380 K C 1.944 178.437 176.600 -0.179 0.000 1.049 380 K CA 1.176 57.281 56.287 -0.302 0.000 0.936 380 K CB -0.189 31.884 32.500 -0.712 0.000 0.722 380 K HN 0.453 nan 8.250 nan 0.000 0.446 381 Q N 0.303 120.197 119.800 0.157 0.000 2.364 381 Q HA -0.030 4.309 4.340 -0.001 0.000 0.207 381 Q C 0.636 176.915 176.000 0.466 0.000 0.970 381 Q CA 0.700 56.741 55.803 0.396 0.000 0.888 381 Q CB 0.205 29.175 28.738 0.387 0.000 0.951 381 Q HN 0.258 nan 8.270 nan 0.000 0.469 382 N N 0.633 119.563 118.700 0.384 0.000 2.328 382 N HA 0.065 4.805 4.740 -0.001 0.000 0.247 382 N C -0.739 174.871 175.510 0.167 0.000 1.165 382 N CA 0.009 53.284 53.050 0.375 0.000 0.873 382 N CB 0.760 39.565 38.487 0.531 0.000 1.125 382 N HN 0.132 nan 8.380 nan 0.000 0.513 383 N N 0.292 119.089 118.700 0.162 0.000 2.747 383 N HA -0.194 4.545 4.740 -0.001 0.000 0.249 383 N C -0.949 174.488 175.510 -0.121 0.000 1.107 383 N CA 0.876 53.974 53.050 0.080 0.000 0.707 383 N CB -1.719 36.718 38.487 -0.083 0.000 1.054 383 N HN 0.274 nan 8.380 nan 0.000 0.555 384 F N 0.922 120.875 119.950 0.006 0.000 2.385 384 F HA 0.318 4.844 4.527 -0.001 0.000 0.336 384 F C 1.717 177.496 175.800 -0.036 0.000 1.100 384 F CA -0.722 57.268 58.000 -0.017 0.000 1.116 384 F CB 0.926 39.895 39.000 -0.053 0.000 1.166 384 F HN 0.029 nan 8.300 nan 0.000 0.511 385 N N 0.802 119.606 118.700 0.174 0.000 2.159 385 N HA 0.426 5.165 4.740 -0.001 0.000 0.217 385 N C -0.814 174.730 175.510 0.056 0.000 1.223 385 N CA -0.026 53.052 53.050 0.045 0.000 0.896 385 N CB 0.765 39.328 38.487 0.127 0.000 1.064 385 N HN 0.459 nan 8.380 nan 0.000 0.518 386 A N -0.434 122.493 122.820 0.178 0.000 2.594 386 A HA 0.749 5.068 4.320 -0.001 0.000 0.295 386 A C -1.726 176.074 177.584 0.359 0.000 1.071 386 A CA -0.721 51.486 52.037 0.282 0.000 0.685 386 A CB 1.906 21.088 19.000 0.305 0.000 1.285 386 A HN 0.195 nan 8.150 nan 0.000 0.405 387 V N 1.437 121.617 119.914 0.442 0.000 2.841 387 V HA 0.803 4.923 4.120 -0.001 0.000 0.310 387 V C -0.631 175.608 176.094 0.241 0.000 1.090 387 V CA -0.727 61.786 62.300 0.355 0.000 0.930 387 V CB 1.887 33.843 31.823 0.222 0.000 1.014 387 V HN 1.101 nan 8.190 nan 0.000 0.425 388 R N 4.955 125.438 120.500 -0.030 0.000 2.338 388 R HA 0.480 4.819 4.340 -0.001 0.000 0.317 388 R C -0.755 175.398 176.300 -0.246 0.000 0.968 388 R CA -0.483 55.414 56.100 -0.338 0.000 0.849 388 R CB 1.121 30.975 30.300 -0.743 0.000 1.128 388 R HN 0.810 nan 8.270 nan 0.000 0.448 389 C N 4.408 123.595 119.300 -0.188 0.000 3.183 389 C HA 0.102 4.562 4.460 -0.001 0.000 0.545 389 C C 0.599 175.315 174.990 -0.457 0.000 1.044 389 C CA -0.397 58.461 59.018 -0.266 0.000 1.117 389 C CB -2.079 25.618 27.740 -0.071 0.000 1.393 389 C HN 0.709 nan 8.230 nan 0.000 0.611 390 S N 0.788 116.093 115.700 -0.658 0.000 2.443 390 S HA 0.224 4.693 4.470 -0.001 0.000 0.284 390 S C -0.496 173.207 174.600 -1.495 0.000 1.206 390 S CA -0.034 57.517 58.200 -1.082 0.000 1.074 390 S CB -0.199 62.316 63.200 -1.143 0.000 0.963 390 S HN 0.799 nan 8.310 nan 0.000 0.501 391 H N 2.986 121.424 119.070 -1.053 0.000 2.429 391 H HA 0.449 5.004 4.556 -0.001 0.000 0.231 391 H C -1.216 173.960 175.328 -0.254 0.000 1.416 391 H CA -0.590 55.223 56.048 -0.392 0.000 1.443 391 H CB 0.186 29.931 29.762 -0.029 0.000 1.591 391 H HN 0.821 nan 8.280 nan 0.000 0.507 392 Y N -2.719 117.682 120.300 0.169 0.000 2.841 392 Y HA 0.369 4.919 4.550 -0.001 0.000 0.373 392 Y C -3.508 172.501 175.900 0.181 0.000 1.170 392 Y CA -3.404 54.806 58.100 0.182 0.000 1.196 392 Y CB -0.045 38.528 38.460 0.188 0.000 1.433 392 Y HN -0.009 nan 8.280 nan 0.000 0.479 393 P HA 0.185 nan 4.420 nan 0.000 0.268 393 P C -0.679 176.916 177.300 0.491 0.000 1.205 393 P CA 0.318 63.678 63.100 0.433 0.000 0.771 393 P CB 0.599 32.483 31.700 0.306 0.000 0.858 394 N N 0.655 119.658 118.700 0.504 0.000 2.448 394 N HA 0.113 4.852 4.740 -0.001 0.000 0.274 394 N C -0.118 175.640 175.510 0.413 0.000 1.239 394 N CA -0.390 52.867 53.050 0.345 0.000 0.982 394 N CB 0.025 38.504 38.487 -0.013 0.000 1.199 394 N HN 0.473 nan 8.380 nan 0.000 0.576 395 H N 2.444 121.628 119.070 0.191 0.000 3.034 395 H HA 0.005 4.561 4.556 -0.001 0.000 0.324 395 H C -1.510 173.995 175.328 0.296 0.000 1.015 395 H CA -0.914 55.236 56.048 0.170 0.000 1.429 395 H CB 0.798 30.625 29.762 0.108 0.000 1.429 395 H HN 0.415 nan 8.280 nan 0.000 0.585 396 P HA -0.240 nan 4.420 nan 0.000 0.217 396 P C 1.750 179.361 177.300 0.517 0.000 1.148 396 P CA 0.841 64.194 63.100 0.422 0.000 0.834 396 P CB 0.273 32.067 31.700 0.156 0.000 0.783 397 L N -1.009 120.589 121.223 0.626 0.000 2.191 397 L HA -0.047 4.293 4.340 -0.001 0.000 0.212 397 L C 2.475 179.508 176.870 0.272 0.000 1.103 397 L CA 1.368 56.441 54.840 0.390 0.000 0.769 397 L CB -1.461 40.774 42.059 0.293 0.000 0.908 397 L HN 0.024 nan 8.230 nan 0.000 0.438 398 W N -0.413 120.925 121.300 0.064 0.000 2.335 398 W HA -0.326 4.333 4.660 -0.001 0.000 0.311 398 W C 2.064 178.443 176.519 -0.233 0.000 1.213 398 W CA 1.967 59.219 57.345 -0.155 0.000 1.274 398 W CB -0.396 28.879 29.460 -0.308 0.000 1.148 398 W HN 0.276 nan 8.180 nan 0.000 0.498 399 Y N 0.607 120.845 120.300 -0.103 0.000 2.293 399 Y HA -0.184 4.365 4.550 -0.001 0.000 0.291 399 Y C 2.846 178.489 175.900 -0.428 0.000 1.137 399 Y CA 2.018 59.853 58.100 -0.441 0.000 1.202 399 Y CB -1.276 36.674 38.460 -0.849 0.000 0.990 399 Y HN -0.223 nan 8.280 nan 0.000 0.537 400 T N 0.528 115.049 114.554 -0.055 0.000 2.777 400 T HA -0.124 4.225 4.350 -0.001 0.000 0.266 400 T C 1.989 176.716 174.700 0.044 0.000 1.040 400 T CA 1.209 63.365 62.100 0.093 0.000 1.141 400 T CB -0.470 68.518 68.868 0.200 0.000 0.868 400 T HN 0.234 nan 8.240 nan 0.000 0.444 401 L N 0.286 121.491 121.223 -0.030 0.000 2.056 401 L HA -0.093 4.247 4.340 -0.001 0.000 0.207 401 L C 2.821 179.658 176.870 -0.055 0.000 1.078 401 L CA 0.892 55.733 54.840 0.001 0.000 0.749 401 L CB -0.646 41.343 42.059 -0.117 0.000 0.901 401 L HN 0.370 nan 8.230 nan 0.000 0.433 402 C N -0.293 118.820 119.300 -0.311 0.000 2.435 402 C HA -0.127 4.332 4.460 -0.001 0.000 0.279 402 C C 2.408 177.446 174.990 0.079 0.000 1.321 402 C CA 0.326 59.201 59.018 -0.239 0.000 1.752 402 C CB -0.756 26.740 27.740 -0.407 0.000 1.959 402 C HN 0.537 nan 8.230 nan 0.000 0.500 403 D N 0.533 120.983 120.400 0.082 0.000 2.117 403 D HA -0.092 4.548 4.640 -0.001 0.000 0.197 403 D C 2.386 178.894 176.300 0.347 0.000 0.987 403 D CA 1.194 55.311 54.000 0.196 0.000 0.829 403 D CB -0.325 40.544 40.800 0.115 0.000 0.961 403 D HN 0.537 nan 8.370 nan 0.000 0.460 404 R N -0.865 119.743 120.500 0.180 0.000 2.080 404 R HA 0.002 4.341 4.340 -0.001 0.000 0.222 404 R C 2.185 178.476 176.300 -0.016 0.000 1.107 404 R CA 0.586 56.732 56.100 0.077 0.000 0.980 404 R CB -0.195 30.086 30.300 -0.033 0.000 0.879 404 R HN 0.260 nan 8.270 nan 0.000 0.439 405 Y N 0.009 120.323 120.300 0.023 0.000 2.420 405 Y HA 0.160 4.709 4.550 -0.001 0.000 0.292 405 Y C 0.987 176.829 175.900 -0.096 0.000 1.119 405 Y CA 0.833 58.922 58.100 -0.018 0.000 1.229 405 Y CB 0.566 38.985 38.460 -0.069 0.000 1.026 405 Y HN 0.248 nan 8.280 nan 0.000 0.554 406 G N 1.195 110.036 108.800 0.069 0.000 2.830 406 G HA2 -0.153 3.807 3.960 -0.001 0.000 0.298 406 G HA3 -0.153 3.807 3.960 -0.001 0.000 0.298 406 G C -1.168 173.573 174.900 -0.265 0.000 1.031 406 G CA -0.514 44.499 45.100 -0.145 0.000 1.179 406 G HN 0.173 nan 8.290 nan 0.000 0.527 407 L N 1.143 122.284 121.223 -0.137 0.000 2.482 407 L HA 0.456 4.795 4.340 -0.001 0.000 0.263 407 L C -0.076 176.792 176.870 -0.002 0.000 0.957 407 L CA -1.259 53.456 54.840 -0.207 0.000 0.836 407 L CB 2.007 43.967 42.059 -0.165 0.000 1.324 407 L HN 0.478 nan 8.230 nan 0.000 0.406 408 Y N 2.016 122.441 120.300 0.207 0.000 2.377 408 Y HA 0.356 4.906 4.550 -0.001 0.000 0.330 408 Y C 0.243 176.276 175.900 0.222 0.000 1.108 408 Y CA -0.689 57.571 58.100 0.266 0.000 1.308 408 Y CB 1.153 39.744 38.460 0.219 0.000 1.216 408 Y HN 0.157 nan 8.280 nan 0.000 0.518 409 V N 4.424 124.533 119.914 0.325 0.000 2.628 409 V HA 0.337 4.456 4.120 -0.001 0.000 0.306 409 V C -0.512 175.673 176.094 0.151 0.000 1.045 409 V CA -1.022 61.411 62.300 0.221 0.000 0.905 409 V CB 1.921 33.842 31.823 0.163 0.000 0.997 409 V HN 0.454 nan 8.190 nan 0.000 0.436 410 V N 3.040 123.015 119.914 0.101 0.000 2.311 410 V HA 0.314 4.434 4.120 -0.001 0.000 0.275 410 V C -0.293 175.843 176.094 0.070 0.000 1.022 410 V CA -0.424 61.889 62.300 0.020 0.000 0.830 410 V CB 1.321 33.058 31.823 -0.145 0.000 1.012 410 V HN 0.864 nan 8.190 nan 0.000 0.452 411 D N 4.134 124.608 120.400 0.125 0.000 2.317 411 D HA 0.250 4.889 4.640 -0.001 0.000 0.252 411 D C -0.122 176.375 176.300 0.328 0.000 1.174 411 D CA 0.087 54.264 54.000 0.295 0.000 0.866 411 D CB 1.172 42.196 40.800 0.372 0.000 1.127 411 D HN 0.683 nan 8.370 nan 0.000 0.467 412 E N 1.817 122.174 120.200 0.262 0.000 2.187 412 E HA 0.599 4.949 4.350 -0.001 0.000 0.268 412 E C -0.993 175.752 176.600 0.241 0.000 0.896 412 E CA -1.051 55.488 56.400 0.231 0.000 0.766 412 E CB 1.301 31.087 29.700 0.144 0.000 1.142 412 E HN 0.459 nan 8.360 nan 0.000 0.408 413 A N 3.927 126.880 122.820 0.223 0.000 2.445 413 A HA 0.055 4.374 4.320 -0.001 0.000 0.242 413 A C 0.301 178.013 177.584 0.213 0.000 1.075 413 A CA -0.239 51.909 52.037 0.185 0.000 0.777 413 A CB 0.140 19.213 19.000 0.121 0.000 1.013 413 A HN 0.707 nan 8.150 nan 0.000 0.493 414 N N 1.400 120.235 118.700 0.226 0.000 2.819 414 N HA 0.255 4.994 4.740 -0.001 0.000 0.284 414 N C -1.010 174.630 175.510 0.216 0.000 1.196 414 N CA 0.276 53.492 53.050 0.276 0.000 1.114 414 N CB -0.826 37.824 38.487 0.272 0.000 1.437 414 N HN 0.471 nan 8.380 nan 0.000 0.518 415 I N 1.218 121.910 120.570 0.203 0.000 2.529 415 I HA 0.244 4.414 4.170 -0.001 0.000 0.284 415 I C -0.746 175.468 176.117 0.161 0.000 1.088 415 I CA -0.639 60.760 61.300 0.166 0.000 1.062 415 I CB 1.780 39.854 38.000 0.124 0.000 1.218 415 I HN 0.284 nan 8.210 nan 0.000 0.442 416 E N 4.296 124.585 120.200 0.147 0.000 2.294 416 E HA 0.347 4.696 4.350 -0.001 0.000 0.272 416 E C -0.600 176.054 176.600 0.090 0.000 0.896 416 E CA -0.522 55.935 56.400 0.095 0.000 0.802 416 E CB 1.566 31.305 29.700 0.065 0.000 1.267 416 E HN 0.575 nan 8.360 nan 0.000 0.406 417 T N 0.715 115.317 114.554 0.079 0.000 3.355 417 T HA 0.167 4.517 4.350 -0.001 0.000 0.276 417 T C 0.909 175.653 174.700 0.073 0.000 1.003 417 T CA -0.271 61.902 62.100 0.122 0.000 0.943 417 T CB -0.315 68.612 68.868 0.098 0.000 1.158 417 T HN 0.678 nan 8.240 nan 0.000 0.513 418 H N 1.269 120.248 119.070 -0.152 0.000 2.357 418 H HA -0.093 4.462 4.556 -0.001 0.000 0.296 418 H C 2.332 177.530 175.328 -0.217 0.000 1.108 418 H CA 1.340 57.270 56.048 -0.197 0.000 1.273 418 H CB -0.229 29.379 29.762 -0.257 0.000 1.367 418 H HN 0.586 nan 8.280 nan 0.000 0.498 419 G N 0.240 108.871 108.800 -0.281 0.000 2.708 419 G HA2 -0.076 3.883 3.960 -0.001 0.000 0.210 419 G HA3 -0.076 3.883 3.960 -0.001 0.000 0.210 419 G C 0.508 175.525 174.900 0.196 0.000 1.141 419 G CA -0.057 44.922 45.100 -0.202 0.000 0.788 419 G HN 0.155 nan 8.290 nan 0.000 0.531 420 M N 0.114 119.862 119.600 0.247 0.000 2.202 420 M HA 0.364 4.843 4.480 -0.001 0.000 0.316 420 M C -0.387 175.952 176.300 0.065 0.000 1.138 420 M CA -0.369 55.029 55.300 0.164 0.000 1.151 420 M CB 1.434 34.094 32.600 0.100 0.000 1.422 420 M HN -0.199 nan 8.290 nan 0.000 0.471 421 V N 3.460 123.393 119.914 0.032 0.000 2.462 421 V HA 0.325 4.444 4.120 -0.001 0.000 0.288 421 V C -1.955 174.139 176.094 0.000 0.000 1.020 421 V CA -1.234 61.071 62.300 0.008 0.000 0.857 421 V CB 1.682 33.504 31.823 -0.002 0.000 1.013 421 V HN 0.743 nan 8.190 nan 0.000 0.431 422 P HA 0.227 nan 4.420 nan 0.000 0.277 422 P C 1.009 178.318 177.300 0.016 0.000 1.276 422 P CA -0.515 62.588 63.100 0.005 0.000 0.788 422 P CB 1.146 32.850 31.700 0.006 0.000 1.114 423 M N 0.531 120.145 119.600 0.023 0.000 2.346 423 M HA -0.161 4.319 4.480 -0.001 0.000 0.263 423 M C 1.152 177.481 176.300 0.048 0.000 1.064 423 M CA 1.692 57.016 55.300 0.040 0.000 1.083 423 M CB -0.447 32.168 32.600 0.025 0.000 1.399 423 M HN 0.362 nan 8.290 nan 0.000 0.435 424 N N -0.288 118.439 118.700 0.045 0.000 2.251 424 N HA -0.043 4.696 4.740 -0.001 0.000 0.217 424 N C 1.092 176.593 175.510 -0.014 0.000 1.124 424 N CA 0.024 53.101 53.050 0.045 0.000 0.843 424 N CB -0.639 37.893 38.487 0.075 0.000 1.024 424 N HN 0.350 nan 8.380 nan 0.000 0.501 425 R N 0.358 120.838 120.500 -0.033 0.000 2.105 425 R HA 0.027 4.366 4.340 -0.001 0.000 0.239 425 R C 1.367 177.590 176.300 -0.127 0.000 1.135 425 R CA 1.254 57.316 56.100 -0.063 0.000 0.967 425 R CB 0.022 30.286 30.300 -0.061 0.000 0.861 425 R HN 0.277 nan 8.270 nan 0.000 0.442 426 L N -0.762 120.326 121.223 -0.224 0.000 2.168 426 L HA 0.002 4.342 4.340 -0.001 0.000 0.203 426 L C 2.445 179.189 176.870 -0.210 0.000 1.078 426 L CA 1.243 55.828 54.840 -0.425 0.000 0.780 426 L CB -0.496 41.065 42.059 -0.830 0.000 0.939 426 L HN 0.317 nan 8.230 nan 0.000 0.451 427 T N -4.174 110.285 114.554 -0.159 0.000 3.051 427 T HA -0.171 4.178 4.350 -0.001 0.000 0.269 427 T C 1.173 175.784 174.700 -0.149 0.000 1.127 427 T CA 1.314 63.301 62.100 -0.188 0.000 1.107 427 T CB -0.229 68.483 68.868 -0.260 0.000 0.898 427 T HN 0.167 nan 8.240 nan 0.000 0.517 428 D N 0.711 121.063 120.400 -0.081 0.000 2.398 428 D HA 0.100 4.739 4.640 -0.001 0.000 0.210 428 D C -0.293 175.994 176.300 -0.022 0.000 1.094 428 D CA -0.301 53.662 54.000 -0.061 0.000 0.839 428 D CB 0.037 40.807 40.800 -0.050 0.000 0.963 428 D HN 0.258 nan 8.370 nan 0.000 0.506 429 D N 0.260 120.667 120.400 0.012 0.000 2.317 429 D HA 0.107 4.746 4.640 -0.001 0.000 0.234 429 D C -1.520 174.834 176.300 0.090 0.000 1.112 429 D CA -2.172 51.873 54.000 0.074 0.000 0.840 429 D CB 1.989 42.889 40.800 0.166 0.000 1.078 429 D HN 0.017 nan 8.370 nan 0.000 0.486 430 P HA -0.183 nan 4.420 nan 0.000 0.220 430 P C 1.327 178.628 177.300 0.001 0.000 1.144 430 P CA 0.590 63.697 63.100 0.013 0.000 0.800 430 P CB 0.388 32.086 31.700 -0.003 0.000 0.772 431 R N -0.753 119.754 120.500 0.011 0.000 2.152 431 R HA -0.118 4.222 4.340 -0.001 0.000 0.232 431 R C 1.345 177.509 176.300 -0.226 0.000 1.117 431 R CA 1.284 57.320 56.100 -0.107 0.000 0.981 431 R CB -0.436 29.793 30.300 -0.118 0.000 0.870 431 R HN 0.213 nan 8.270 nan 0.000 0.451 432 W N -0.025 121.222 121.300 -0.087 0.000 3.278 432 W HA 0.106 4.766 4.660 -0.001 0.000 0.308 432 W C 1.390 177.853 176.519 -0.093 0.000 1.253 432 W CA -0.584 56.709 57.345 -0.087 0.000 1.759 432 W CB 0.081 29.490 29.460 -0.084 0.000 1.093 432 W HN 0.099 nan 8.180 nan 0.000 0.648 433 L N 2.088 123.340 121.223 0.048 0.000 2.017 433 L HA -0.036 4.303 4.340 -0.001 0.000 0.208 433 L C -0.639 176.199 176.870 -0.053 0.000 1.073 433 L CA 2.226 57.057 54.840 -0.015 0.000 0.745 433 L CB -1.668 40.370 42.059 -0.036 0.000 0.894 433 L HN -0.225 nan 8.230 nan 0.000 0.432 434 P HA -0.189 nan 4.420 nan 0.000 0.214 434 P C 1.629 178.879 177.300 -0.083 0.000 1.163 434 P CA 2.280 65.320 63.100 -0.100 0.000 0.889 434 P CB -0.225 31.403 31.700 -0.120 0.000 0.790 435 A N -1.230 121.556 122.820 -0.057 0.000 1.908 435 A HA -0.226 4.093 4.320 -0.001 0.000 0.218 435 A C 2.247 179.848 177.584 0.029 0.000 1.181 435 A CA 2.093 54.133 52.037 0.005 0.000 0.627 435 A CB -1.509 17.536 19.000 0.075 0.000 0.818 435 A HN 0.110 nan 8.150 nan 0.000 0.445 436 M N 0.182 119.806 119.600 0.040 0.000 2.086 436 M HA -0.160 4.319 4.480 -0.001 0.000 0.261 436 M C 2.582 178.832 176.300 -0.083 0.000 1.067 436 M CA 1.871 57.170 55.300 -0.001 0.000 1.116 436 M CB -0.389 32.194 32.600 -0.028 0.000 1.348 436 M HN 0.670 nan 8.290 nan 0.000 0.407 437 S N 0.304 115.923 115.700 -0.135 0.000 2.383 437 S HA -0.181 4.289 4.470 -0.001 0.000 0.229 437 S C 1.570 175.995 174.600 -0.292 0.000 1.030 437 S CA 1.465 59.513 58.200 -0.253 0.000 1.002 437 S CB -0.655 62.373 63.200 -0.286 0.000 0.829 437 S HN 0.531 nan 8.310 nan 0.000 0.467 438 E N 1.142 121.226 120.200 -0.194 0.000 2.150 438 E HA -0.060 4.290 4.350 -0.001 0.000 0.193 438 E C 2.379 178.894 176.600 -0.142 0.000 0.985 438 E CA 0.812 57.106 56.400 -0.177 0.000 0.814 438 E CB -0.168 29.465 29.700 -0.113 0.000 0.752 438 E HN 0.588 nan 8.360 nan 0.000 0.466 439 R N 0.327 120.775 120.500 -0.087 0.000 2.148 439 R HA -0.045 4.294 4.340 -0.001 0.000 0.223 439 R C 2.239 178.504 176.300 -0.058 0.000 1.088 439 R CA 0.539 56.619 56.100 -0.033 0.000 0.985 439 R CB 0.089 30.409 30.300 0.032 0.000 0.880 439 R HN 0.008 nan 8.270 nan 0.000 0.451 440 V N 0.076 119.909 119.914 -0.134 0.000 2.341 440 V HA -0.174 3.946 4.120 -0.001 0.000 0.240 440 V C 2.491 178.420 176.094 -0.276 0.000 1.035 440 V CA 2.109 64.312 62.300 -0.162 0.000 1.033 440 V CB -0.355 31.365 31.823 -0.172 0.000 0.678 440 V HN 0.484 nan 8.190 nan 0.000 0.464 441 T N -0.491 113.761 114.554 -0.504 0.000 2.746 441 T HA -0.253 4.097 4.350 -0.001 0.000 0.267 441 T C 1.911 176.460 174.700 -0.251 0.000 1.039 441 T CA 1.515 63.231 62.100 -0.641 0.000 1.142 441 T CB -0.427 67.856 68.868 -0.974 0.000 0.866 441 T HN 0.405 nan 8.240 nan 0.000 0.444 442 R N 0.160 120.534 120.500 -0.210 0.000 2.189 442 R HA 0.245 4.585 4.340 -0.001 0.000 0.218 442 R C 2.603 178.827 176.300 -0.126 0.000 1.074 442 R CA 1.163 57.175 56.100 -0.148 0.000 0.991 442 R CB -0.413 29.807 30.300 -0.133 0.000 0.883 442 R HN 0.497 nan 8.270 nan 0.000 0.457 443 M N 0.541 120.074 119.600 -0.113 0.000 2.123 443 M HA -0.122 4.358 4.480 -0.001 0.000 0.263 443 M C 1.867 178.088 176.300 -0.132 0.000 1.069 443 M CA 1.599 56.862 55.300 -0.063 0.000 1.133 443 M CB 0.102 32.707 32.600 0.008 0.000 1.356 443 M HN -0.040 nan 8.290 nan 0.000 0.415 444 V N 1.224 120.954 119.914 -0.305 0.000 2.287 444 V HA -0.311 3.808 4.120 -0.001 0.000 0.248 444 V C 2.285 178.254 176.094 -0.208 0.000 1.053 444 V CA 2.126 64.115 62.300 -0.518 0.000 1.027 444 V CB -1.012 30.496 31.823 -0.526 0.000 0.646 444 V HN 0.598 nan 8.190 nan 0.000 0.447 445 Q N -0.734 118.991 119.800 -0.125 0.000 2.181 445 Q HA -0.234 4.106 4.340 -0.001 0.000 0.205 445 Q C 2.468 178.378 176.000 -0.150 0.000 0.980 445 Q CA 1.615 57.354 55.803 -0.107 0.000 0.862 445 Q CB -0.188 28.513 28.738 -0.061 0.000 0.905 445 Q HN 0.544 nan 8.270 nan 0.000 0.429 446 R N 0.280 120.687 120.500 -0.155 0.000 2.080 446 R HA -0.080 4.259 4.340 -0.001 0.000 0.222 446 R C 0.561 176.780 176.300 -0.134 0.000 1.107 446 R CA 1.249 57.238 56.100 -0.186 0.000 0.980 446 R CB 0.430 30.621 30.300 -0.182 0.000 0.879 446 R HN 0.164 nan 8.270 nan 0.000 0.439 447 D N 0.085 120.465 120.400 -0.033 0.000 2.369 447 D HA -0.014 4.625 4.640 -0.001 0.000 0.211 447 D C 1.373 177.769 176.300 0.159 0.000 1.077 447 D CA 0.120 54.145 54.000 0.042 0.000 0.842 447 D CB 0.191 40.961 40.800 -0.050 0.000 0.947 447 D HN 0.371 nan 8.370 nan 0.000 0.509 448 R N 0.797 121.401 120.500 0.174 0.000 2.249 448 R HA -0.035 4.304 4.340 -0.001 0.000 0.230 448 R C 0.816 177.114 176.300 -0.004 0.000 1.121 448 R CA 0.950 57.160 56.100 0.184 0.000 0.997 448 R CB -0.329 29.980 30.300 0.015 0.000 0.867 448 R HN -0.055 nan 8.270 nan 0.000 0.465 449 N N 0.155 118.785 118.700 -0.117 0.000 2.280 449 N HA 0.002 4.741 4.740 -0.001 0.000 0.192 449 N C -0.497 174.903 175.510 -0.184 0.000 1.109 449 N CA 0.229 53.191 53.050 -0.147 0.000 0.855 449 N CB 0.138 38.533 38.487 -0.154 0.000 0.974 449 N HN 0.285 nan 8.380 nan 0.000 0.482 450 H N 1.602 120.625 119.070 -0.078 0.000 2.742 450 H HA 0.102 4.657 4.556 -0.001 0.000 0.302 450 H C -1.158 174.034 175.328 -0.227 0.000 1.069 450 H CA -1.282 54.701 56.048 -0.108 0.000 1.446 450 H CB 1.475 31.209 29.762 -0.047 0.000 1.462 450 H HN 0.075 nan 8.280 nan 0.000 0.499 451 P HA -0.159 nan 4.420 nan 0.000 0.218 451 P C 1.399 178.226 177.300 -0.788 0.000 1.149 451 P CA 1.156 63.902 63.100 -0.591 0.000 0.817 451 P CB 0.325 31.466 31.700 -0.932 0.000 0.785 452 S N -0.591 114.744 115.700 -0.608 0.000 2.419 452 S HA -0.048 4.422 4.470 -0.001 0.000 0.233 452 S C 1.150 175.746 174.600 -0.006 0.000 1.016 452 S CA 0.419 58.477 58.200 -0.238 0.000 0.974 452 S CB -1.513 61.689 63.200 0.002 0.000 0.786 452 S HN -0.047 nan 8.310 nan 0.000 0.492 453 V N 3.687 123.561 119.914 -0.067 0.000 2.415 453 V HA 0.248 4.367 4.120 -0.001 0.000 0.267 453 V C 1.062 177.026 176.094 -0.218 0.000 1.042 453 V CA -0.018 62.206 62.300 -0.128 0.000 1.000 453 V CB 0.368 32.022 31.823 -0.282 0.000 1.015 453 V HN 0.641 nan 8.190 nan 0.000 0.478 454 I N 2.649 123.146 120.570 -0.122 0.000 4.181 454 I HA 0.513 4.682 4.170 -0.001 0.000 0.331 454 I C 0.336 176.347 176.117 -0.178 0.000 1.312 454 I CA 0.484 61.720 61.300 -0.107 0.000 1.146 454 I CB 0.489 38.510 38.000 0.035 0.000 1.074 454 I HN 0.315 nan 8.210 nan 0.000 0.402 455 I N 0.301 120.733 120.570 -0.229 0.000 2.656 455 I HA 0.348 4.518 4.170 -0.001 0.000 0.292 455 I C -1.598 174.409 176.117 -0.184 0.000 1.144 455 I CA -0.412 60.792 61.300 -0.160 0.000 1.038 455 I CB 2.063 40.069 38.000 0.010 0.000 1.244 455 I HN 0.029 nan 8.210 nan 0.000 0.420 456 W N 4.097 125.454 121.300 0.094 0.000 2.469 456 W HA 0.588 5.248 4.660 -0.001 0.000 0.320 456 W C 0.388 176.979 176.519 0.120 0.000 1.086 456 W CA -0.675 56.731 57.345 0.102 0.000 1.211 456 W CB 1.725 31.240 29.460 0.092 0.000 1.298 456 W HN 0.303 nan 8.180 nan 0.000 0.525 457 S N 3.288 119.226 115.700 0.397 0.000 2.473 457 S HA 0.368 4.837 4.470 -0.001 0.000 0.307 457 S C 0.409 175.174 174.600 0.274 0.000 1.094 457 S CA -0.702 57.674 58.200 0.294 0.000 1.070 457 S CB 0.735 64.062 63.200 0.212 0.000 1.019 457 S HN 0.588 nan 8.310 nan 0.000 0.480 458 L N 4.363 125.733 121.223 0.245 0.000 2.622 458 L HA 0.288 4.627 4.340 -0.001 0.000 0.233 458 L C 1.424 178.340 176.870 0.077 0.000 1.156 458 L CA 0.570 55.475 54.840 0.109 0.000 0.866 458 L CB -1.166 40.862 42.059 -0.052 0.000 0.980 458 L HN 0.980 nan 8.230 nan 0.000 0.448 459 G N -0.194 108.733 108.800 0.212 0.000 2.250 459 G HA2 -0.110 3.849 3.960 -0.001 0.000 0.252 459 G HA3 -0.110 3.849 3.960 -0.001 0.000 0.252 459 G C -1.672 173.410 174.900 0.303 0.000 1.325 459 G CA -0.546 44.690 45.100 0.227 0.000 1.091 459 G HN 0.162 nan 8.290 nan 0.000 0.476 460 N N 0.182 119.010 118.700 0.214 0.000 2.367 460 N HA 0.462 5.202 4.740 -0.001 0.000 0.278 460 N C -0.558 174.911 175.510 -0.067 0.000 1.117 460 N CA 0.059 53.102 53.050 -0.010 0.000 0.867 460 N CB 1.587 39.812 38.487 -0.437 0.000 1.649 460 N HN 0.869 nan 8.380 nan 0.000 0.479 461 E N 0.783 120.854 120.200 -0.217 0.000 2.131 461 E HA -0.186 4.164 4.350 -0.001 0.000 0.166 461 E C -0.834 175.689 176.600 -0.128 0.000 1.514 461 E CA 0.784 56.979 56.400 -0.342 0.000 0.646 461 E CB -1.295 27.935 29.700 -0.783 0.000 1.051 461 E HN 0.427 nan 8.360 nan 0.000 0.315 462 S N 0.146 115.909 115.700 0.104 0.000 3.021 462 S HA 0.394 4.863 4.470 -0.001 0.000 0.252 462 S C 0.686 175.454 174.600 0.281 0.000 0.996 462 S CA -0.215 58.104 58.200 0.198 0.000 1.084 462 S CB 1.381 64.757 63.200 0.292 0.000 1.021 462 S HN 0.872 nan 8.310 nan 0.000 0.566 463 G N 2.067 110.966 108.800 0.165 0.000 2.578 463 G HA2 -0.276 3.684 3.960 -0.001 0.000 0.275 463 G HA3 -0.276 3.684 3.960 -0.001 0.000 0.275 463 G C -0.465 174.653 174.900 0.362 0.000 1.271 463 G CA 0.047 45.250 45.100 0.172 0.000 0.941 463 G HN 0.661 nan 8.290 nan 0.000 0.564 464 H N 0.453 119.656 119.070 0.222 0.000 2.823 464 H HA 0.571 5.127 4.556 -0.001 0.000 0.332 464 H C 0.295 175.792 175.328 0.283 0.000 0.980 464 H CA -0.092 56.139 56.048 0.305 0.000 1.286 464 H CB 0.754 30.621 29.762 0.175 0.000 1.541 464 H HN 1.040 nan 8.280 nan 0.000 0.521 465 G N 1.473 110.331 108.800 0.098 0.000 2.630 465 G HA2 0.449 4.409 3.960 -0.001 0.000 0.296 465 G HA3 0.449 4.409 3.960 -0.001 0.000 0.296 465 G C 0.561 175.327 174.900 -0.224 0.000 1.285 465 G CA -0.154 44.851 45.100 -0.158 0.000 0.958 465 G HN 0.673 nan 8.290 nan 0.000 0.479 466 A N 0.293 123.015 122.820 -0.162 0.000 2.024 466 A HA -0.109 4.210 4.320 -0.001 0.000 0.220 466 A C 2.126 179.685 177.584 -0.041 0.000 1.164 466 A CA 1.975 53.964 52.037 -0.081 0.000 0.643 466 A CB -0.441 18.532 19.000 -0.044 0.000 0.806 466 A HN 0.531 nan 8.150 nan 0.000 0.451 467 N N -0.356 118.283 118.700 -0.101 0.000 2.223 467 N HA -0.137 4.603 4.740 -0.001 0.000 0.185 467 N C 1.395 176.846 175.510 -0.099 0.000 1.016 467 N CA 1.685 54.663 53.050 -0.119 0.000 0.863 467 N CB -0.657 37.718 38.487 -0.187 0.000 0.983 467 N HN 0.792 nan 8.380 nan 0.000 0.429 468 H N 0.246 119.308 119.070 -0.014 0.000 2.357 468 H HA -0.015 4.540 4.556 -0.001 0.000 0.301 468 H C 1.217 176.625 175.328 0.132 0.000 1.082 468 H CA 1.194 57.246 56.048 0.007 0.000 1.342 468 H CB 0.177 29.949 29.762 0.018 0.000 1.389 468 H HN 0.178 nan 8.280 nan 0.000 0.511 469 D N 0.368 120.933 120.400 0.276 0.000 2.117 469 D HA -0.122 4.517 4.640 -0.001 0.000 0.197 469 D C 2.283 178.743 176.300 0.267 0.000 0.987 469 D CA 1.148 55.312 54.000 0.274 0.000 0.829 469 D CB -0.348 40.578 40.800 0.211 0.000 0.961 469 D HN 0.427 nan 8.370 nan 0.000 0.460 470 A N 0.861 123.784 122.820 0.172 0.000 1.877 470 A HA -0.102 4.217 4.320 -0.001 0.000 0.216 470 A C 2.406 180.099 177.584 0.180 0.000 1.186 470 A CA 0.879 53.004 52.037 0.147 0.000 0.620 470 A CB -0.770 18.275 19.000 0.075 0.000 0.822 470 A HN 0.191 nan 8.150 nan 0.000 0.443 471 L N -1.891 119.422 121.223 0.150 0.000 2.141 471 L HA -0.149 4.191 4.340 -0.001 0.000 0.209 471 L C 2.579 179.594 176.870 0.241 0.000 1.094 471 L CA 1.498 56.430 54.840 0.152 0.000 0.763 471 L CB -0.636 41.449 42.059 0.044 0.000 0.908 471 L HN 0.646 nan 8.230 nan 0.000 0.437 472 Y N 1.212 121.603 120.300 0.151 0.000 2.145 472 Y HA -0.292 4.257 4.550 -0.001 0.000 0.286 472 Y C 2.773 178.757 175.900 0.141 0.000 1.145 472 Y CA 1.640 59.829 58.100 0.149 0.000 1.148 472 Y CB -0.150 38.398 38.460 0.148 0.000 0.981 472 Y HN -0.042 nan 8.280 nan 0.000 0.507 473 R N -0.054 120.505 120.500 0.098 0.000 2.115 473 R HA -0.175 4.164 4.340 -0.001 0.000 0.230 473 R C 1.990 178.271 176.300 -0.031 0.000 1.111 473 R CA 1.771 57.858 56.100 -0.021 0.000 0.976 473 R CB -1.522 28.867 30.300 0.148 0.000 0.870 473 R HN 0.650 nan 8.270 nan 0.000 0.445 474 W N 0.441 121.687 121.300 -0.089 0.000 2.355 474 W HA -0.111 4.548 4.660 -0.001 0.000 0.309 474 W C 1.579 178.005 176.519 -0.155 0.000 1.206 474 W CA 1.853 59.138 57.345 -0.099 0.000 1.284 474 W CB -0.210 29.200 29.460 -0.084 0.000 1.145 474 W HN 0.069 nan 8.180 nan 0.000 0.502 475 I N 0.874 121.415 120.570 -0.049 0.000 2.252 475 I HA -0.322 3.847 4.170 -0.001 0.000 0.245 475 I C 2.391 178.289 176.117 -0.364 0.000 1.102 475 I CA 1.240 62.356 61.300 -0.306 0.000 1.385 475 I CB -0.684 37.231 38.000 -0.142 0.000 1.064 475 I HN -0.127 nan 8.210 nan 0.000 0.414 476 K N 0.322 120.523 120.400 -0.331 0.000 2.147 476 K HA -0.143 4.176 4.320 -0.001 0.000 0.205 476 K C 2.276 178.731 176.600 -0.242 0.000 1.049 476 K CA 1.391 57.510 56.287 -0.280 0.000 0.936 476 K CB -0.513 31.772 32.500 -0.358 0.000 0.722 476 K HN 0.251 nan 8.250 nan 0.000 0.446 477 S N 0.985 116.504 115.700 -0.302 0.000 2.362 477 S HA -0.087 4.383 4.470 -0.001 0.000 0.221 477 S C 2.029 176.418 174.600 -0.352 0.000 1.032 477 S CA 1.248 59.279 58.200 -0.282 0.000 0.973 477 S CB -0.120 62.916 63.200 -0.274 0.000 0.849 477 S HN 0.164 nan 8.310 nan 0.000 0.465 478 V N -0.809 118.755 119.914 -0.584 0.000 2.951 478 V HA 0.285 4.404 4.120 -0.001 0.000 0.255 478 V C 0.324 176.190 176.094 -0.380 0.000 1.088 478 V CA 1.380 63.337 62.300 -0.572 0.000 1.109 478 V CB -0.384 30.839 31.823 -1.001 0.000 0.724 478 V HN 0.467 nan 8.190 nan 0.000 0.471 479 D N 0.844 121.058 120.400 -0.310 0.000 2.472 479 D HA 0.332 4.972 4.640 -0.001 0.000 0.248 479 D C -1.989 174.293 176.300 -0.030 0.000 1.271 479 D CA -1.532 52.393 54.000 -0.124 0.000 0.888 479 D CB 1.560 42.347 40.800 -0.022 0.000 1.337 479 D HN 0.220 nan 8.370 nan 0.000 0.526 480 P HA -0.032 nan 4.420 nan 0.000 0.245 480 P C 0.932 178.250 177.300 0.030 0.000 1.212 480 P CA 0.295 63.387 63.100 -0.012 0.000 0.774 480 P CB 0.188 31.871 31.700 -0.029 0.000 0.999 481 S N -0.923 114.804 115.700 0.045 0.000 2.522 481 S HA 0.064 4.533 4.470 -0.001 0.000 0.227 481 S C 0.915 175.546 174.600 0.052 0.000 0.986 481 S CA -0.225 58.007 58.200 0.054 0.000 0.929 481 S CB -0.362 62.864 63.200 0.042 0.000 0.769 481 S HN 0.121 nan 8.310 nan 0.000 0.529 482 R N 1.155 121.700 120.500 0.075 0.000 2.628 482 R HA 0.543 4.882 4.340 -0.001 0.000 0.288 482 R C -3.256 173.104 176.300 0.101 0.000 0.980 482 R CA -2.220 53.898 56.100 0.030 0.000 0.891 482 R CB 1.492 31.701 30.300 -0.152 0.000 1.188 482 R HN 0.145 nan 8.270 nan 0.000 0.450 483 P HA 0.102 nan 4.420 nan 0.000 0.272 483 P C -0.821 176.591 177.300 0.187 0.000 1.230 483 P CA -0.415 62.756 63.100 0.117 0.000 0.788 483 P CB 0.733 32.484 31.700 0.085 0.000 0.949 484 V N 2.541 122.602 119.914 0.245 0.000 2.495 484 V HA 0.413 4.533 4.120 -0.001 0.000 0.298 484 V C 0.177 176.469 176.094 0.330 0.000 1.031 484 V CA -0.283 62.213 62.300 0.328 0.000 0.871 484 V CB 1.137 33.148 31.823 0.313 0.000 0.988 484 V HN 0.607 nan 8.190 nan 0.000 0.432 485 Q N 3.831 123.797 119.800 0.277 0.000 2.458 485 Q HA 0.813 5.153 4.340 -0.001 0.000 0.282 485 Q C -1.857 174.300 176.000 0.262 0.000 1.106 485 Q CA -0.932 54.995 55.803 0.206 0.000 0.814 485 Q CB 2.983 31.791 28.738 0.116 0.000 1.425 485 Q HN 0.618 nan 8.270 nan 0.000 0.437 486 Y N 0.101 120.403 120.300 0.003 0.000 2.357 486 Y HA 0.142 4.692 4.550 -0.001 0.000 0.319 486 Y C -0.582 175.253 175.900 -0.108 0.000 1.225 486 Y CA -0.809 57.258 58.100 -0.054 0.000 1.095 486 Y CB 2.003 40.410 38.460 -0.088 0.000 1.302 486 Y HN 0.956 nan 8.280 nan 0.000 0.429 487 E N 3.338 123.076 120.200 -0.770 0.000 2.318 487 E HA 0.127 4.476 4.350 -0.001 0.000 0.193 487 E C 0.637 176.782 176.600 -0.759 0.000 0.998 487 E CA 0.737 56.772 56.400 -0.608 0.000 0.859 487 E CB 0.234 29.711 29.700 -0.372 0.000 0.812 487 E HN 0.883 nan 8.360 nan 0.000 0.492 488 G N -0.030 107.878 108.800 -1.486 0.000 2.391 488 G HA2 0.229 4.188 3.960 -0.001 0.000 0.234 488 G HA3 0.229 4.188 3.960 -0.001 0.000 0.234 488 G C 0.786 175.521 174.900 -0.275 0.000 1.284 488 G CA 0.297 44.936 45.100 -0.768 0.000 0.873 488 G HN 0.344 nan 8.290 nan 0.000 0.549 489 G N -0.136 108.620 108.800 -0.073 0.000 2.176 489 G HA2 0.241 4.200 3.960 -0.001 0.000 0.252 489 G HA3 0.241 4.200 3.960 -0.001 0.000 0.252 489 G C 1.230 176.139 174.900 0.014 0.000 1.024 489 G CA 0.941 46.066 45.100 0.042 0.000 0.755 489 G HN 2.616 nan 8.290 nan 0.000 0.507 490 G N -1.552 107.249 108.800 0.002 0.000 2.205 490 G HA2 0.421 4.380 3.960 -0.001 0.000 0.180 490 G HA3 0.421 4.380 3.960 -0.001 0.000 0.180 490 G C 1.137 176.155 174.900 0.198 0.000 1.004 490 G CA 1.284 46.449 45.100 0.108 0.000 0.670 490 G HN 2.344 nan 8.290 nan 0.000 0.496 491 A N -0.209 122.607 122.820 -0.006 0.000 3.420 491 A HA -0.118 4.201 4.320 -0.001 0.000 0.269 491 A C 1.099 178.609 177.584 -0.122 0.000 1.122 491 A CA 2.707 54.681 52.037 -0.105 0.000 1.023 491 A CB -1.743 17.189 19.000 -0.112 0.000 1.099 491 A HN 2.146 nan 8.150 nan 0.000 0.860 492 D N -1.288 119.119 120.400 0.010 0.000 2.785 492 D HA 0.303 4.942 4.640 -0.001 0.000 0.324 492 D C 0.371 176.659 176.300 -0.018 0.000 1.523 492 D CA 0.788 54.794 54.000 0.011 0.000 0.789 492 D CB -1.161 39.768 40.800 0.215 0.000 1.171 492 D HN 0.809 nan 8.370 nan 0.000 0.447 493 T N -2.328 112.147 114.554 -0.132 0.000 2.689 493 T HA 0.205 4.554 4.350 -0.001 0.000 0.308 493 T C 1.560 176.123 174.700 -0.228 0.000 1.021 493 T CA 0.480 62.435 62.100 -0.242 0.000 0.973 493 T CB 0.756 69.234 68.868 -0.651 0.000 1.113 493 T HN 0.091 nan 8.240 nan 0.000 0.522 494 T N -2.727 111.696 114.554 -0.219 0.000 3.160 494 T HA 0.282 4.632 4.350 -0.001 0.000 0.257 494 T C 1.363 175.835 174.700 -0.381 0.000 1.147 494 T CA 0.158 62.149 62.100 -0.182 0.000 1.064 494 T CB -0.510 68.336 68.868 -0.036 0.000 0.949 494 T HN 0.834 nan 8.240 nan 0.000 0.526 495 A N 0.358 122.949 122.820 -0.381 0.000 2.500 495 A HA 0.539 4.858 4.320 -0.001 0.000 0.267 495 A C 0.742 178.111 177.584 -0.358 0.000 1.290 495 A CA -0.356 51.412 52.037 -0.448 0.000 0.928 495 A CB 0.208 19.216 19.000 0.015 0.000 1.066 495 A HN 0.431 nan 8.150 nan 0.000 0.516 496 T N -1.197 113.164 114.554 -0.321 0.000 3.032 496 T HA 0.338 4.688 4.350 -0.001 0.000 0.312 496 T C -0.718 173.968 174.700 -0.023 0.000 1.078 496 T CA -0.448 61.616 62.100 -0.061 0.000 1.028 496 T CB 1.157 70.001 68.868 -0.040 0.000 1.091 496 T HN 0.104 nan 8.240 nan 0.000 0.457 497 D N 3.122 123.595 120.400 0.121 0.000 2.355 497 D HA 0.229 4.869 4.640 -0.001 0.000 0.218 497 D C 0.380 176.702 176.300 0.037 0.000 1.004 497 D CA 0.691 54.757 54.000 0.111 0.000 0.880 497 D CB 0.496 41.401 40.800 0.175 0.000 0.911 497 D HN 0.540 nan 8.370 nan 0.000 0.528 498 I N 1.001 121.574 120.570 0.005 0.000 2.533 498 I HA 0.243 4.412 4.170 -0.001 0.000 0.290 498 I C -0.185 175.858 176.117 -0.123 0.000 1.056 498 I CA -0.878 60.393 61.300 -0.049 0.000 1.057 498 I CB 2.808 40.794 38.000 -0.024 0.000 1.240 498 I HN -0.353 nan 8.210 nan 0.000 0.423 499 I N 5.810 126.259 120.570 -0.201 0.000 2.494 499 I HA 0.030 4.199 4.170 -0.001 0.000 0.289 499 I C 0.221 176.127 176.117 -0.351 0.000 1.106 499 I CA 0.040 61.119 61.300 -0.367 0.000 1.369 499 I CB 0.033 37.694 38.000 -0.565 0.000 1.410 499 I HN 0.674 nan 8.210 nan 0.000 0.523 500 C N 5.962 125.078 119.300 -0.307 0.000 3.276 500 C HA 0.476 4.936 4.460 -0.001 0.000 0.226 500 C C -1.976 172.885 174.990 -0.215 0.000 1.502 500 C CA -2.286 56.604 59.018 -0.214 0.000 1.488 500 C CB -0.895 26.774 27.740 -0.118 0.000 2.014 500 C HN 0.447 nan 8.230 nan 0.000 0.492 501 P HA 0.331 nan 4.420 nan 0.000 0.274 501 P C -0.546 176.726 177.300 -0.047 0.000 1.246 501 P CA 0.214 63.240 63.100 -0.124 0.000 0.795 501 P CB 1.016 32.659 31.700 -0.095 0.000 1.006 502 M N 0.438 120.043 119.600 0.008 0.000 2.181 502 M HA 0.430 4.909 4.480 -0.001 0.000 0.323 502 M C -0.846 175.491 176.300 0.062 0.000 1.004 502 M CA -0.663 54.556 55.300 -0.134 0.000 0.941 502 M CB 1.112 33.643 32.600 -0.115 0.000 1.579 502 M HN 0.316 nan 8.290 nan 0.000 0.427 503 Y N -0.123 120.360 120.300 0.304 0.000 4.272 503 Y HA -0.208 4.342 4.550 -0.001 0.000 0.232 503 Y C 0.475 176.564 175.900 0.316 0.000 1.149 503 Y CA 0.468 58.755 58.100 0.311 0.000 1.961 503 Y CB -2.208 36.417 38.460 0.276 0.000 1.611 503 Y HN 0.979 nan 8.280 nan 0.000 0.682 504 A N 1.092 124.145 122.820 0.388 0.000 2.425 504 A HA 0.606 4.926 4.320 -0.001 0.000 0.249 504 A C 0.706 178.513 177.584 0.371 0.000 1.084 504 A CA -0.487 51.781 52.037 0.385 0.000 0.781 504 A CB 0.441 19.715 19.000 0.457 0.000 1.019 504 A HN 0.409 nan 8.150 nan 0.000 0.490 505 R N 1.441 122.088 120.500 0.246 0.000 2.546 505 R HA 0.341 4.680 4.340 -0.001 0.000 0.266 505 R C 0.983 177.247 176.300 -0.059 0.000 1.086 505 R CA -0.750 55.420 56.100 0.118 0.000 1.160 505 R CB 0.585 30.928 30.300 0.071 0.000 1.138 505 R HN 0.480 nan 8.270 nan 0.000 0.567 506 V N 0.730 120.443 119.914 -0.336 0.000 2.244 506 V HA -0.218 3.902 4.120 -0.001 0.000 0.244 506 V C 1.106 177.080 176.094 -0.199 0.000 1.042 506 V CA 1.892 63.959 62.300 -0.389 0.000 1.006 506 V CB -0.277 31.197 31.823 -0.583 0.000 0.641 506 V HN 0.753 nan 8.190 nan 0.000 0.446 507 D N -1.418 118.898 120.400 -0.140 0.000 2.422 507 D HA 0.081 4.721 4.640 -0.001 0.000 0.218 507 D C 0.997 177.281 176.300 -0.027 0.000 1.047 507 D CA 0.059 54.014 54.000 -0.074 0.000 0.885 507 D CB 0.561 41.323 40.800 -0.063 0.000 1.035 507 D HN 0.458 nan 8.370 nan 0.000 0.502 508 E N 1.979 122.167 120.200 -0.020 0.000 2.229 508 E HA 0.069 4.419 4.350 -0.001 0.000 0.283 508 E C -0.762 175.840 176.600 0.004 0.000 1.030 508 E CA -0.472 55.925 56.400 -0.005 0.000 0.836 508 E CB 0.871 30.568 29.700 -0.004 0.000 1.068 508 E HN -0.114 nan 8.360 nan 0.000 0.401 509 D N 3.669 124.074 120.400 0.007 0.000 2.304 509 D HA 0.118 4.758 4.640 -0.001 0.000 0.247 509 D C -0.501 175.703 176.300 -0.160 0.000 1.089 509 D CA 0.153 54.156 54.000 0.005 0.000 0.910 509 D CB 1.202 42.084 40.800 0.136 0.000 1.199 509 D HN 0.418 nan 8.370 nan 0.000 0.426 510 Q N 1.711 121.307 119.800 -0.340 0.000 2.798 510 Q HA 0.221 4.560 4.340 -0.001 0.000 0.250 510 Q C -2.172 173.265 176.000 -0.938 0.000 1.006 510 Q CA -1.526 53.888 55.803 -0.649 0.000 0.759 510 Q CB 2.167 30.522 28.738 -0.638 0.000 1.201 510 Q HN 0.193 nan 8.270 nan 0.000 0.486 511 P HA -0.067 nan 4.420 nan 0.000 0.237 511 P C -0.618 176.377 177.300 -0.508 0.000 1.701 511 P CA 0.111 62.789 63.100 -0.702 0.000 0.955 511 P CB -0.659 30.826 31.700 -0.359 0.000 1.937 512 F N 1.548 121.314 119.950 -0.307 0.000 2.553 512 F HA 0.132 4.659 4.527 -0.001 0.000 0.356 512 F C -1.223 174.468 175.800 -0.182 0.000 1.142 512 F CA -2.129 55.758 58.000 -0.190 0.000 1.322 512 F CB -0.734 38.177 39.000 -0.148 0.000 1.126 512 F HN 0.048 nan 8.300 nan 0.000 0.599 513 P HA 0.134 nan 4.420 nan 0.000 0.268 513 P C 0.227 177.542 177.300 0.025 0.000 1.205 513 P CA 1.097 64.214 63.100 0.027 0.000 0.771 513 P CB 1.142 32.860 31.700 0.030 0.000 0.858 514 A N 2.722 125.550 122.820 0.015 0.000 3.292 514 A HA -0.252 4.068 4.320 -0.001 0.000 0.241 514 A C 0.789 178.384 177.584 0.018 0.000 0.569 514 A CA 2.183 54.235 52.037 0.025 0.000 1.149 514 A CB -2.669 16.348 19.000 0.028 0.000 1.321 514 A HN 0.688 nan 8.150 nan 0.000 0.679 515 V N -2.999 116.919 119.914 0.006 0.000 2.468 515 V HA 0.555 4.675 4.120 -0.001 0.000 0.256 515 V C -2.176 173.906 176.094 -0.019 0.000 0.998 515 V CA -1.208 61.094 62.300 0.003 0.000 1.114 515 V CB 0.640 32.467 31.823 0.006 0.000 1.378 515 V HN 0.536 nan 8.190 nan 0.000 0.573 516 P HA 0.252 nan 4.420 nan 0.000 0.272 516 P C -0.662 176.234 177.300 -0.673 0.000 1.223 516 P CA 0.084 62.828 63.100 -0.594 0.000 0.784 516 P CB 1.138 32.052 31.700 -1.310 0.000 0.923 517 K N 2.667 122.765 120.400 -0.504 0.000 2.419 517 K HA 0.207 4.526 4.320 -0.001 0.000 0.244 517 K C -0.384 175.974 176.600 -0.403 0.000 1.045 517 K CA -0.283 55.870 56.287 -0.223 0.000 1.004 517 K CB 0.381 33.002 32.500 0.202 0.000 1.376 517 K HN 0.475 nan 8.250 nan 0.000 0.460 518 W N 1.337 122.312 121.300 -0.542 0.000 2.126 518 W HA 0.054 4.714 4.660 -0.001 0.000 0.346 518 W C 1.315 177.827 176.519 -0.011 0.000 1.279 518 W CA -0.488 56.632 57.345 -0.374 0.000 1.259 518 W CB 0.504 29.558 29.460 -0.675 0.000 1.133 518 W HN 0.368 nan 8.180 nan 0.000 0.592 519 S N 3.156 119.008 115.700 0.253 0.000 2.552 519 S HA -0.069 4.400 4.470 -0.001 0.000 0.289 519 S C 1.180 175.923 174.600 0.239 0.000 1.304 519 S CA -0.213 58.083 58.200 0.159 0.000 1.063 519 S CB 0.165 63.406 63.200 0.069 0.000 0.848 519 S HN 0.508 nan 8.310 nan 0.000 0.499 520 I N 2.233 122.911 120.570 0.180 0.000 2.361 520 I HA -0.131 4.038 4.170 -0.001 0.000 0.251 520 I C 2.037 178.180 176.117 0.045 0.000 1.133 520 I CA 1.204 62.614 61.300 0.183 0.000 1.413 520 I CB -0.414 37.636 38.000 0.083 0.000 1.073 520 I HN 0.600 nan 8.210 nan 0.000 0.424 521 K N 1.550 121.875 120.400 -0.124 0.000 2.097 521 K HA -0.162 4.157 4.320 -0.001 0.000 0.205 521 K C 2.292 178.895 176.600 0.005 0.000 1.050 521 K CA 1.681 57.808 56.287 -0.267 0.000 0.938 521 K CB -0.176 32.092 32.500 -0.387 0.000 0.718 521 K HN 0.389 nan 8.250 nan 0.000 0.442 522 K N 0.156 120.583 120.400 0.045 0.000 2.103 522 K HA -0.155 4.164 4.320 -0.001 0.000 0.204 522 K C 1.901 178.545 176.600 0.072 0.000 1.052 522 K CA 0.716 57.022 56.287 0.033 0.000 0.945 522 K CB -0.055 32.431 32.500 -0.023 0.000 0.722 522 K HN 0.192 nan 8.250 nan 0.000 0.443 523 W N 2.166 123.462 121.300 -0.005 0.000 2.318 523 W HA -0.208 4.451 4.660 -0.001 0.000 0.313 523 W C 1.626 178.137 176.519 -0.014 0.000 1.221 523 W CA 1.218 58.572 57.345 0.016 0.000 1.266 523 W CB -0.658 28.876 29.460 0.123 0.000 1.150 523 W HN 0.101 nan 8.180 nan 0.000 0.496 524 L N 0.736 122.119 121.223 0.267 0.000 2.081 524 L HA -0.260 4.079 4.340 -0.001 0.000 0.212 524 L C 2.234 179.173 176.870 0.115 0.000 1.080 524 L CA 2.074 57.003 54.840 0.149 0.000 0.754 524 L CB -1.088 41.050 42.059 0.132 0.000 0.893 524 L HN -0.013 nan 8.230 nan 0.000 0.433 525 S N -1.235 114.520 115.700 0.092 0.000 2.614 525 S HA 0.249 4.718 4.470 -0.001 0.000 0.230 525 S C 0.538 175.134 174.600 -0.008 0.000 0.952 525 S CA -0.504 57.720 58.200 0.040 0.000 0.949 525 S CB -0.516 62.705 63.200 0.035 0.000 0.786 525 S HN 0.160 nan 8.310 nan 0.000 0.478 526 L N 2.022 123.237 121.223 -0.015 0.000 2.485 526 L HA 0.239 4.579 4.340 -0.001 0.000 0.275 526 L C -2.221 174.625 176.870 -0.040 0.000 1.207 526 L CA -1.835 52.952 54.840 -0.089 0.000 0.855 526 L CB -0.322 41.663 42.059 -0.122 0.000 1.114 526 L HN 0.005 nan 8.230 nan 0.000 0.485 527 P HA -0.079 nan 4.420 nan 0.000 0.255 527 P C 0.747 178.044 177.300 -0.006 0.000 1.161 527 P CA 1.275 64.356 63.100 -0.032 0.000 0.768 527 P CB 0.325 31.999 31.700 -0.043 0.000 0.746 528 G N 1.984 110.786 108.800 0.005 0.000 2.199 528 G HA2 -0.269 3.691 3.960 -0.001 0.000 0.254 528 G HA3 -0.269 3.691 3.960 -0.001 0.000 0.254 528 G C 0.257 175.175 174.900 0.030 0.000 0.982 528 G CA 0.059 45.169 45.100 0.017 0.000 0.632 528 G HN 0.602 nan 8.290 nan 0.000 0.529 529 E N 0.930 121.153 120.200 0.039 0.000 2.313 529 E HA 0.620 4.969 4.350 -0.001 0.000 0.276 529 E C 1.332 177.956 176.600 0.041 0.000 1.031 529 E CA 0.659 57.093 56.400 0.056 0.000 0.857 529 E CB 0.868 30.629 29.700 0.101 0.000 1.040 529 E HN 0.563 nan 8.360 nan 0.000 0.408 530 T N 0.395 114.969 114.554 0.032 0.000 3.131 530 T HA 0.307 4.656 4.350 -0.001 0.000 0.283 530 T C 0.493 175.200 174.700 0.012 0.000 0.906 530 T CA -0.468 61.645 62.100 0.022 0.000 0.882 530 T CB 0.032 68.912 68.868 0.021 0.000 1.208 530 T HN 0.274 nan 8.240 nan 0.000 0.561 531 R N 2.690 123.192 120.500 0.004 0.000 2.679 531 R HA 0.413 4.752 4.340 -0.001 0.000 0.269 531 R C -2.417 173.859 176.300 -0.039 0.000 1.076 531 R CA -1.613 54.477 56.100 -0.016 0.000 1.160 531 R CB 0.096 30.378 30.300 -0.029 0.000 1.054 531 R HN 0.291 nan 8.270 nan 0.000 0.507 532 P HA 0.084 nan 4.420 nan 0.000 0.276 532 P C -1.056 176.173 177.300 -0.119 0.000 1.244 532 P CA -0.164 62.894 63.100 -0.070 0.000 0.801 532 P CB 0.839 32.501 31.700 -0.064 0.000 1.006 533 L N 2.588 123.722 121.223 -0.147 0.000 2.349 533 L HA 0.571 4.910 4.340 -0.001 0.000 0.278 533 L C -0.905 175.823 176.870 -0.237 0.000 0.996 533 L CA -0.723 53.991 54.840 -0.210 0.000 0.825 533 L CB 0.644 42.574 42.059 -0.216 0.000 1.243 533 L HN 0.250 nan 8.230 nan 0.000 0.412 534 I N 5.807 126.242 120.570 -0.224 0.000 2.500 534 I HA 0.244 4.413 4.170 -0.001 0.000 0.286 534 I C -0.812 175.217 176.117 -0.147 0.000 1.063 534 I CA -0.577 60.581 61.300 -0.237 0.000 1.062 534 I CB 1.982 39.898 38.000 -0.140 0.000 1.223 534 I HN 0.465 nan 8.210 nan 0.000 0.435 535 L N 5.571 126.682 121.223 -0.185 0.000 2.462 535 L HA 0.036 4.375 4.340 -0.001 0.000 0.272 535 L C 1.506 178.458 176.870 0.137 0.000 1.166 535 L CA -0.164 54.635 54.840 -0.069 0.000 0.880 535 L CB 0.567 42.561 42.059 -0.110 0.000 1.142 535 L HN 0.856 nan 8.230 nan 0.000 0.473 536 C N 0.262 119.623 119.300 0.102 0.000 2.448 536 C HA 0.127 4.586 4.460 -0.001 0.000 0.280 536 C C 0.644 175.774 174.990 0.233 0.000 1.398 536 C CA -0.205 58.905 59.018 0.153 0.000 1.774 536 C CB -1.106 26.638 27.740 0.008 0.000 1.888 536 C HN 0.829 nan 8.230 nan 0.000 0.519 537 E N -0.827 119.450 120.200 0.128 0.000 2.321 537 E HA 0.598 4.948 4.350 -0.001 0.000 0.281 537 E C -1.360 175.152 176.600 -0.147 0.000 0.910 537 E CA -0.378 56.064 56.400 0.070 0.000 0.770 537 E CB 1.976 31.581 29.700 -0.159 0.000 1.225 537 E HN 0.661 nan 8.360 nan 0.000 0.417 538 Y N -0.781 119.454 120.300 -0.109 0.000 2.677 538 Y HA 0.603 5.152 4.550 -0.001 0.000 0.334 538 Y C -0.671 175.350 175.900 0.203 0.000 1.196 538 Y CA -0.722 57.328 58.100 -0.084 0.000 1.059 538 Y CB 0.930 39.252 38.460 -0.230 0.000 1.315 538 Y HN 0.657 nan 8.280 nan 0.000 0.455 539 A N 2.050 124.907 122.820 0.062 0.000 2.475 539 A HA -0.264 4.055 4.320 -0.001 0.000 0.295 539 A C -0.282 177.422 177.584 0.200 0.000 1.457 539 A CA 1.050 53.123 52.037 0.060 0.000 0.734 539 A CB -2.557 16.358 19.000 -0.141 0.000 1.118 539 A HN 1.117 nan 8.150 nan 0.000 0.400 540 H N 0.360 119.613 119.070 0.304 0.000 3.217 540 H HA 0.206 4.761 4.556 -0.001 0.000 0.272 540 H C 1.128 176.521 175.328 0.109 0.000 0.929 540 H CA 1.032 57.267 56.048 0.313 0.000 1.425 540 H CB 0.391 30.236 29.762 0.140 0.000 1.505 540 H HN 0.812 nan 8.280 nan 0.000 0.542 541 A N 5.116 127.880 122.820 -0.092 0.000 2.840 541 A HA 0.349 4.669 4.320 -0.001 0.000 0.269 541 A C 0.935 178.415 177.584 -0.174 0.000 1.439 541 A CA 0.079 52.035 52.037 -0.135 0.000 1.083 541 A CB -0.522 18.381 19.000 -0.163 0.000 1.019 541 A HN 0.724 nan 8.150 nan 0.000 0.607 542 A N 0.400 123.126 122.820 -0.156 0.000 2.395 542 A HA 0.543 4.862 4.320 -0.001 0.000 0.286 542 A C 1.389 178.831 177.584 -0.237 0.000 1.193 542 A CA 0.549 52.482 52.037 -0.173 0.000 0.852 542 A CB -0.894 18.048 19.000 -0.097 0.000 1.118 542 A HN 2.216 nan 8.150 nan 0.000 0.524 543 G N 2.548 111.173 108.800 -0.291 0.000 2.566 543 G HA2 -0.313 3.646 3.960 -0.001 0.000 0.280 543 G HA3 -0.313 3.646 3.960 -0.001 0.000 0.280 543 G C 0.396 174.777 174.900 -0.866 0.000 1.225 543 G CA 0.220 44.951 45.100 -0.615 0.000 0.966 543 G HN 1.142 nan 8.290 nan 0.000 0.560 544 N N 1.397 119.421 118.700 -1.127 0.000 2.434 544 N HA 0.442 5.181 4.740 -0.001 0.000 0.273 544 N C 0.102 175.351 175.510 -0.435 0.000 1.210 544 N CA 1.164 53.748 53.050 -0.778 0.000 0.992 544 N CB 0.345 38.420 38.487 -0.687 0.000 1.355 544 N HN 0.790 nan 8.380 nan 0.000 0.495 545 S N 2.001 117.528 115.700 -0.289 0.000 2.998 545 S HA 0.590 5.060 4.470 -0.001 0.000 0.323 545 S C -0.041 174.484 174.600 -0.124 0.000 1.141 545 S CA -0.374 57.714 58.200 -0.186 0.000 0.873 545 S CB 0.161 63.278 63.200 -0.139 0.000 1.315 545 S HN 0.365 nan 8.310 nan 0.000 0.637 546 L N 0.155 121.339 121.223 -0.065 0.000 4.406 546 L HA -0.056 4.284 4.340 -0.001 0.000 0.406 546 L C 0.424 177.323 176.870 0.050 0.000 1.133 546 L CA 0.894 55.721 54.840 -0.022 0.000 0.974 546 L CB -1.717 40.247 42.059 -0.158 0.000 2.152 546 L HN 0.701 nan 8.230 nan 0.000 0.736 547 G N -0.806 107.996 108.800 0.004 0.000 2.361 547 G HA2 0.504 4.463 3.960 -0.001 0.000 0.260 547 G HA3 0.504 4.463 3.960 -0.001 0.000 0.260 547 G C 1.176 176.109 174.900 0.055 0.000 1.261 547 G CA 0.177 45.257 45.100 -0.035 0.000 0.897 547 G HN 1.373 nan 8.290 nan 0.000 0.499 548 G N 1.614 110.447 108.800 0.055 0.000 2.141 548 G HA2 -0.298 3.661 3.960 -0.001 0.000 0.231 548 G HA3 -0.298 3.661 3.960 -0.001 0.000 0.231 548 G C 0.915 176.007 174.900 0.320 0.000 0.984 548 G CA 0.639 45.832 45.100 0.154 0.000 0.660 548 G HN 0.750 nan 8.290 nan 0.000 0.525 549 F N 1.736 121.803 119.950 0.194 0.000 2.134 549 F HA 0.189 4.715 4.527 -0.001 0.000 0.299 549 F C 2.636 178.646 175.800 0.350 0.000 1.097 549 F CA 2.392 60.574 58.000 0.304 0.000 1.264 549 F CB -0.393 38.719 39.000 0.187 0.000 1.001 549 F HN 0.333 nan 8.300 nan 0.000 0.479 550 A N -0.227 122.762 122.820 0.281 0.000 1.978 550 A HA -0.250 4.070 4.320 -0.001 0.000 0.220 550 A C 2.291 179.907 177.584 0.054 0.000 1.170 550 A CA 1.812 53.947 52.037 0.164 0.000 0.636 550 A CB -0.818 18.282 19.000 0.166 0.000 0.810 550 A HN 0.454 nan 8.150 nan 0.000 0.448 551 K N -1.670 118.748 120.400 0.030 0.000 2.097 551 K HA -0.176 4.144 4.320 -0.001 0.000 0.206 551 K C 1.718 178.113 176.600 -0.341 0.000 1.049 551 K CA 1.611 57.831 56.287 -0.111 0.000 0.933 551 K CB -0.317 32.118 32.500 -0.108 0.000 0.717 551 K HN 0.563 nan 8.250 nan 0.000 0.442 552 Y N -0.786 119.253 120.300 -0.434 0.000 2.114 552 Y HA -0.234 4.315 4.550 -0.001 0.000 0.284 552 Y C 1.994 176.960 175.900 -1.557 0.000 1.143 552 Y CA 1.671 59.164 58.100 -1.011 0.000 1.135 552 Y CB -0.385 37.489 38.460 -0.977 0.000 0.980 552 Y HN 0.166 nan 8.280 nan 0.000 0.499 553 W N 0.258 121.137 121.300 -0.701 0.000 2.374 553 W HA -0.195 4.464 4.660 -0.001 0.000 0.288 553 W C 2.629 178.982 176.519 -0.276 0.000 1.218 553 W CA 1.763 58.832 57.345 -0.459 0.000 1.245 553 W CB -0.624 28.651 29.460 -0.308 0.000 1.126 553 W HN 0.138 nan 8.180 nan 0.000 0.545 554 Q N 0.158 119.875 119.800 -0.138 0.000 2.119 554 Q HA -0.165 4.174 4.340 -0.001 0.000 0.201 554 Q C 2.286 178.224 176.000 -0.103 0.000 0.972 554 Q CA 1.832 57.593 55.803 -0.069 0.000 0.847 554 Q CB -0.305 28.406 28.738 -0.044 0.000 0.903 554 Q HN 0.219 nan 8.270 nan 0.000 0.433 555 A N 0.133 122.792 122.820 -0.268 0.000 1.898 555 A HA -0.132 4.187 4.320 -0.001 0.000 0.216 555 A C 1.650 179.185 177.584 -0.082 0.000 1.181 555 A CA 0.985 52.879 52.037 -0.239 0.000 0.620 555 A CB -0.717 18.005 19.000 -0.463 0.000 0.819 555 A HN 0.441 nan 8.150 nan 0.000 0.442 556 F N 0.295 120.065 119.950 -0.299 0.000 2.161 556 F HA -0.107 4.419 4.527 -0.001 0.000 0.300 556 F C 2.512 178.211 175.800 -0.168 0.000 1.089 556 F CA 1.191 58.983 58.000 -0.347 0.000 1.282 556 F CB -0.771 37.792 39.000 -0.728 0.000 1.010 556 F HN 0.192 nan 8.300 nan 0.000 0.485 557 R N -0.282 120.271 120.500 0.087 0.000 2.119 557 R HA -0.112 4.228 4.340 -0.001 0.000 0.222 557 R C 2.106 178.443 176.300 0.061 0.000 1.088 557 R CA 0.971 57.109 56.100 0.063 0.000 0.984 557 R CB -0.434 29.900 30.300 0.056 0.000 0.884 557 R HN 0.376 nan 8.270 nan 0.000 0.447 558 Q N -0.099 119.765 119.800 0.107 0.000 2.187 558 Q HA -0.054 4.286 4.340 -0.001 0.000 0.199 558 Q C -0.443 175.599 176.000 0.070 0.000 0.957 558 Q CA 0.902 56.763 55.803 0.098 0.000 0.857 558 Q CB 0.360 29.188 28.738 0.150 0.000 0.929 558 Q HN 0.176 nan 8.270 nan 0.000 0.453 559 Y N 0.287 120.570 120.300 -0.027 0.000 2.353 559 Y HA 0.274 4.823 4.550 -0.001 0.000 0.340 559 Y C -1.792 174.084 175.900 -0.040 0.000 0.972 559 Y CA -2.850 55.234 58.100 -0.027 0.000 1.157 559 Y CB 1.397 39.846 38.460 -0.018 0.000 1.157 559 Y HN 0.120 nan 8.280 nan 0.000 0.495 560 P HA -0.165 nan 4.420 nan 0.000 0.215 560 P C 1.148 178.450 177.300 0.003 0.000 1.157 560 P CA 1.886 64.986 63.100 0.000 0.000 0.874 560 P CB 0.307 31.991 31.700 -0.026 0.000 0.790 561 R N -1.173 119.348 120.500 0.034 0.000 2.307 561 R HA 0.091 4.431 4.340 -0.001 0.000 0.199 561 R C 0.400 176.685 176.300 -0.026 0.000 1.000 561 R CA 0.163 56.267 56.100 0.006 0.000 1.023 561 R CB -0.479 29.836 30.300 0.025 0.000 0.908 561 R HN 0.248 nan 8.270 nan 0.000 0.473 562 L N 1.810 123.034 121.223 0.003 0.000 2.282 562 L HA 0.151 4.490 4.340 -0.001 0.000 0.287 562 L C 0.429 177.154 176.870 -0.240 0.000 1.075 562 L CA 0.099 54.889 54.840 -0.083 0.000 0.839 562 L CB 1.225 43.308 42.059 0.041 0.000 1.219 562 L HN 0.050 nan 8.230 nan 0.000 0.434 563 Q N 2.878 122.459 119.800 -0.363 0.000 2.237 563 Q HA 0.326 4.665 4.340 -0.001 0.000 0.252 563 Q C 0.783 176.356 176.000 -0.712 0.000 0.877 563 Q CA 0.033 55.579 55.803 -0.429 0.000 1.011 563 Q CB 0.987 29.569 28.738 -0.260 0.000 1.118 563 Q HN 0.937 nan 8.270 nan 0.000 0.458 564 G N -0.472 107.484 108.800 -1.408 0.000 2.451 564 G HA2 0.091 4.050 3.960 -0.001 0.000 0.208 564 G HA3 0.091 4.050 3.960 -0.001 0.000 0.208 564 G C -0.254 173.825 174.900 -1.368 0.000 1.248 564 G CA -0.756 43.221 45.100 -1.873 0.000 0.989 564 G HN 0.607 nan 8.290 nan 0.000 0.559 565 G N -2.329 105.953 108.800 -0.862 0.000 2.349 565 G HA2 0.647 4.606 3.960 -0.001 0.000 0.294 565 G HA3 0.647 4.606 3.960 -0.001 0.000 0.294 565 G C -1.806 173.031 174.900 -0.106 0.000 1.380 565 G CA -0.241 44.577 45.100 -0.470 0.000 0.811 565 G HN 1.184 nan 8.290 nan 0.000 0.519 566 F N 0.670 120.845 119.950 0.375 0.000 2.427 566 F HA 0.536 5.062 4.527 -0.001 0.000 0.348 566 F C 0.799 176.899 175.800 0.500 0.000 1.125 566 F CA -0.799 57.465 58.000 0.440 0.000 0.989 566 F CB 1.963 41.117 39.000 0.256 0.000 1.165 566 F HN 0.265 nan 8.300 nan 0.000 0.442 567 V N 3.000 123.226 119.914 0.521 0.000 3.032 567 V HA -0.134 3.985 4.120 -0.001 0.000 0.307 567 V C -0.313 175.934 176.094 0.255 0.000 1.097 567 V CA -0.186 62.213 62.300 0.163 0.000 1.191 567 V CB 0.749 32.670 31.823 0.164 0.000 0.964 567 V HN 0.792 nan 8.190 nan 0.000 0.494 568 W N 6.054 127.406 121.300 0.087 0.000 2.391 568 W HA 0.463 5.122 4.660 -0.001 0.000 0.312 568 W C -1.001 175.486 176.519 -0.054 0.000 1.003 568 W CA -0.700 56.717 57.345 0.120 0.000 1.375 568 W CB 1.404 31.070 29.460 0.343 0.000 1.253 568 W HN 0.944 nan 8.180 nan 0.000 0.416 569 D N 2.235 122.330 120.400 -0.508 0.000 3.009 569 D HA 0.116 4.755 4.640 -0.001 0.000 0.318 569 D C 0.721 176.808 176.300 -0.355 0.000 1.273 569 D CA -0.469 53.144 54.000 -0.646 0.000 1.001 569 D CB 0.195 40.072 40.800 -1.537 0.000 1.411 569 D HN 0.345 nan 8.370 nan 0.000 0.577 570 W N 0.349 121.345 121.300 -0.507 0.000 2.413 570 W HA 0.182 4.841 4.660 -0.001 0.000 0.315 570 W C -0.066 176.233 176.519 -0.367 0.000 1.186 570 W CA 1.209 58.309 57.345 -0.409 0.000 1.326 570 W CB 0.382 29.620 29.460 -0.369 0.000 1.153 570 W HN 0.144 nan 8.180 nan 0.000 0.489 571 V N 2.662 122.326 119.914 -0.416 0.000 2.709 571 V HA 0.253 4.372 4.120 -0.001 0.000 0.308 571 V C -0.900 174.993 176.094 -0.334 0.000 1.062 571 V CA -0.815 61.203 62.300 -0.470 0.000 0.901 571 V CB 1.548 33.220 31.823 -0.251 0.000 1.003 571 V HN -0.107 nan 8.190 nan 0.000 0.425 572 D N 4.264 124.468 120.400 -0.328 0.000 2.493 572 D HA 0.094 4.734 4.640 -0.001 0.000 0.240 572 D C 0.318 176.473 176.300 -0.241 0.000 1.142 572 D CA 0.635 54.507 54.000 -0.213 0.000 0.872 572 D CB 0.982 41.743 40.800 -0.066 0.000 1.173 572 D HN 0.620 nan 8.370 nan 0.000 0.467 573 Q N 1.134 120.723 119.800 -0.352 0.000 2.938 573 Q HA 0.102 4.442 4.340 -0.001 0.000 0.343 573 Q C -0.051 175.905 176.000 -0.074 0.000 1.185 573 Q CA -0.287 55.086 55.803 -0.718 0.000 0.939 573 Q CB 0.056 28.476 28.738 -0.529 0.000 1.480 573 Q HN 0.366 nan 8.270 nan 0.000 0.442 574 S N -0.303 115.471 115.700 0.124 0.000 2.585 574 S HA 0.607 5.076 4.470 -0.001 0.000 0.277 574 S C -0.133 174.645 174.600 0.297 0.000 1.241 574 S CA -0.765 57.622 58.200 0.311 0.000 1.041 574 S CB 1.377 64.735 63.200 0.263 0.000 0.987 574 S HN 0.311 nan 8.310 nan 0.000 0.512 575 L N 1.938 123.264 121.223 0.173 0.000 2.342 575 L HA 0.557 4.897 4.340 -0.001 0.000 0.271 575 L C -0.383 176.406 176.870 -0.134 0.000 1.008 575 L CA -1.017 53.794 54.840 -0.048 0.000 0.818 575 L CB 1.566 43.454 42.059 -0.285 0.000 1.296 575 L HN 0.643 nan 8.230 nan 0.000 0.427 576 I N 2.511 122.939 120.570 -0.236 0.000 2.441 576 I HA 0.230 4.400 4.170 -0.001 0.000 0.287 576 I C 0.065 175.788 176.117 -0.656 0.000 1.049 576 I CA -0.030 60.995 61.300 -0.458 0.000 1.381 576 I CB 0.773 38.523 38.000 -0.417 0.000 1.409 576 I HN 0.561 nan 8.210 nan 0.000 0.523 577 K N 5.007 124.720 120.400 -1.146 0.000 2.378 577 K HA 0.641 4.960 4.320 -0.001 0.000 0.244 577 K C -1.670 174.094 176.600 -1.394 0.000 1.039 577 K CA -0.832 54.725 56.287 -1.217 0.000 0.863 577 K CB 2.239 33.749 32.500 -1.650 0.000 1.326 577 K HN 0.253 nan 8.250 nan 0.000 0.460 578 Y N 0.429 120.459 120.300 -0.451 0.000 2.477 578 Y HA 0.176 4.726 4.550 -0.001 0.000 0.347 578 Y C -0.188 175.834 175.900 0.203 0.000 0.981 578 Y CA -1.256 56.788 58.100 -0.093 0.000 1.033 578 Y CB 1.364 39.787 38.460 -0.061 0.000 1.245 578 Y HN 0.669 nan 8.280 nan 0.000 0.455 579 D N -0.395 120.289 120.400 0.474 0.000 2.451 579 D HA 0.153 4.793 4.640 -0.001 0.000 0.259 579 D C 0.597 177.012 176.300 0.191 0.000 1.201 579 D CA -0.448 53.752 54.000 0.333 0.000 1.028 579 D CB 0.615 41.544 40.800 0.215 0.000 1.095 579 D HN 0.658 nan 8.370 nan 0.000 0.539 580 E N -0.570 119.699 120.200 0.116 0.000 2.108 580 E HA -0.245 4.105 4.350 -0.001 0.000 0.203 580 E C 1.135 177.775 176.600 0.067 0.000 1.022 580 E CA 1.402 57.844 56.400 0.070 0.000 0.823 580 E CB -0.339 29.385 29.700 0.040 0.000 0.744 580 E HN 0.407 nan 8.360 nan 0.000 0.456 581 N N -0.182 118.564 118.700 0.077 0.000 2.515 581 N HA -0.020 4.719 4.740 -0.001 0.000 0.191 581 N C 1.039 176.600 175.510 0.086 0.000 1.182 581 N CA 0.970 54.060 53.050 0.068 0.000 0.879 581 N CB 0.886 39.410 38.487 0.063 0.000 0.984 581 N HN 0.360 nan 8.380 nan 0.000 0.453 582 G N 0.846 109.719 108.800 0.121 0.000 2.162 582 G HA2 -0.269 3.690 3.960 -0.001 0.000 0.260 582 G HA3 -0.269 3.690 3.960 -0.001 0.000 0.260 582 G C -0.027 175.030 174.900 0.262 0.000 0.976 582 G CA -0.262 44.922 45.100 0.139 0.000 0.655 582 G HN 0.315 nan 8.290 nan 0.000 0.533 583 N N 2.059 120.903 118.700 0.240 0.000 2.520 583 N HA 0.349 5.088 4.740 -0.001 0.000 0.273 583 N C -2.266 173.398 175.510 0.256 0.000 1.155 583 N CA -0.711 52.477 53.050 0.230 0.000 0.967 583 N CB 1.436 40.025 38.487 0.171 0.000 1.092 583 N HN 0.263 nan 8.380 nan 0.000 0.457 584 P HA 0.265 nan 4.420 nan 0.000 0.278 584 P C -0.581 176.672 177.300 -0.080 0.000 1.238 584 P CA -0.327 62.616 63.100 -0.262 0.000 0.794 584 P CB 0.727 32.267 31.700 -0.267 0.000 0.955 585 W N -0.197 120.867 121.300 -0.392 0.000 3.167 585 W HA 0.419 5.079 4.660 -0.001 0.000 0.324 585 W C -1.467 174.872 176.519 -0.299 0.000 1.230 585 W CA -1.070 56.062 57.345 -0.355 0.000 1.184 585 W CB 0.405 29.461 29.460 -0.673 0.000 1.414 585 W HN 0.128 nan 8.180 nan 0.000 0.551 586 S N 1.510 117.273 115.700 0.105 0.000 2.499 586 S HA 0.619 5.089 4.470 -0.001 0.000 0.275 586 S C 0.112 174.870 174.600 0.264 0.000 1.257 586 S CA -0.256 58.001 58.200 0.095 0.000 1.050 586 S CB 1.061 64.372 63.200 0.186 0.000 0.937 586 S HN 0.625 nan 8.310 nan 0.000 0.490 587 A N 2.705 125.571 122.820 0.077 0.000 2.354 587 A HA 0.902 5.222 4.320 -0.001 0.000 0.321 587 A C -0.814 177.032 177.584 0.436 0.000 1.125 587 A CA -0.785 51.364 52.037 0.187 0.000 0.799 587 A CB 0.792 19.646 19.000 -0.242 0.000 1.293 587 A HN 0.842 nan 8.150 nan 0.000 0.452 588 Y N -0.847 119.779 120.300 0.544 0.000 3.048 588 Y HA 0.767 5.316 4.550 -0.001 0.000 0.305 588 Y C 0.719 176.952 175.900 0.555 0.000 1.538 588 Y CA -1.426 56.977 58.100 0.506 0.000 1.082 588 Y CB -0.137 38.441 38.460 0.198 0.000 1.388 588 Y HN 0.961 nan 8.280 nan 0.000 0.557 589 G N 0.069 109.216 108.800 0.577 0.000 2.109 589 G HA2 0.349 4.308 3.960 -0.001 0.000 0.249 589 G HA3 0.349 4.308 3.960 -0.001 0.000 0.249 589 G C 0.983 176.194 174.900 0.518 0.000 1.126 589 G CA 0.614 46.002 45.100 0.480 0.000 0.923 589 G HN 1.995 nan 8.290 nan 0.000 0.439 590 G N 2.370 111.455 108.800 0.474 0.000 2.241 590 G HA2 -0.276 3.684 3.960 -0.001 0.000 0.244 590 G HA3 -0.276 3.684 3.960 -0.001 0.000 0.244 590 G C 0.868 175.974 174.900 0.342 0.000 0.998 590 G CA 0.585 45.907 45.100 0.369 0.000 0.621 590 G HN 0.654 nan 8.290 nan 0.000 0.519 591 D N -0.166 120.457 120.400 0.372 0.000 2.378 591 D HA 0.156 4.795 4.640 -0.001 0.000 0.227 591 D C 1.042 177.263 176.300 -0.131 0.000 1.012 591 D CA 0.487 54.559 54.000 0.119 0.000 0.905 591 D CB -0.188 40.635 40.800 0.039 0.000 0.895 591 D HN 0.471 nan 8.370 nan 0.000 0.532 592 F N -0.894 119.174 119.950 0.196 0.000 2.735 592 F HA 0.293 4.819 4.527 -0.001 0.000 0.308 592 F C 1.784 177.663 175.800 0.133 0.000 1.112 592 F CA -0.252 57.826 58.000 0.130 0.000 1.235 592 F CB 0.841 39.913 39.000 0.121 0.000 1.027 592 F HN -0.040 nan 8.300 nan 0.000 0.528 593 G N 0.382 109.338 108.800 0.260 0.000 2.179 593 G HA2 -0.285 3.674 3.960 -0.001 0.000 0.260 593 G HA3 -0.285 3.674 3.960 -0.001 0.000 0.260 593 G C -0.088 174.943 174.900 0.218 0.000 0.977 593 G CA 0.192 45.410 45.100 0.196 0.000 0.641 593 G HN 0.417 nan 8.290 nan 0.000 0.533 594 D N 0.456 121.033 120.400 0.295 0.000 2.425 594 D HA 0.481 5.121 4.640 -0.001 0.000 0.247 594 D C 0.088 176.504 176.300 0.193 0.000 1.147 594 D CA 1.053 55.212 54.000 0.264 0.000 0.879 594 D CB 1.542 42.550 40.800 0.347 0.000 1.179 594 D HN 0.422 nan 8.370 nan 0.000 0.456 595 T N 1.263 115.900 114.554 0.139 0.000 3.159 595 T HA 0.352 4.701 4.350 -0.001 0.000 0.343 595 T C -2.721 172.011 174.700 0.053 0.000 1.364 595 T CA -1.071 61.082 62.100 0.087 0.000 1.102 595 T CB 1.292 70.211 68.868 0.086 0.000 1.263 595 T HN 0.442 nan 8.240 nan 0.000 0.477 596 P HA 0.468 nan 4.420 nan 0.000 0.271 596 P C -0.975 176.307 177.300 -0.031 0.000 1.244 596 P CA -0.290 62.801 63.100 -0.015 0.000 0.793 596 P CB 0.456 32.122 31.700 -0.057 0.000 0.984 597 N N -1.985 116.685 118.700 -0.050 0.000 2.825 597 N HA 0.228 4.967 4.740 -0.001 0.000 0.253 597 N C -1.106 174.324 175.510 -0.133 0.000 1.426 597 N CA -0.756 52.242 53.050 -0.088 0.000 0.851 597 N CB 0.604 39.135 38.487 0.073 0.000 1.470 597 N HN 0.141 nan 8.380 nan 0.000 0.517 598 D N -0.266 120.010 120.400 -0.207 0.000 2.670 598 D HA 0.149 4.788 4.640 -0.001 0.000 0.255 598 D C 0.458 176.905 176.300 0.246 0.000 1.286 598 D CA -0.162 53.766 54.000 -0.120 0.000 0.830 598 D CB 0.258 40.835 40.800 -0.371 0.000 1.065 598 D HN 0.706 nan 8.370 nan 0.000 0.486 599 R N 0.948 121.623 120.500 0.292 0.000 3.614 599 R HA -0.336 4.003 4.340 -0.001 0.000 0.542 599 R C 1.251 177.633 176.300 0.136 0.000 0.241 599 R CA 1.648 57.958 56.100 0.350 0.000 1.684 599 R CB -1.607 28.820 30.300 0.213 0.000 0.889 599 R HN 0.126 nan 8.270 nan 0.000 0.611 600 Q N 1.470 121.042 119.800 -0.379 0.000 2.515 600 Q HA -0.025 4.314 4.340 -0.001 0.000 0.212 600 Q C 1.567 177.396 176.000 -0.285 0.000 0.970 600 Q CA 1.362 56.752 55.803 -0.689 0.000 0.941 600 Q CB -0.108 28.009 28.738 -1.036 0.000 0.998 600 Q HN 0.603 nan 8.270 nan 0.000 0.518 601 F N 1.586 121.447 119.950 -0.149 0.000 2.722 601 F HA -0.051 4.475 4.527 -0.001 0.000 0.298 601 F C 1.773 177.545 175.800 -0.046 0.000 1.175 601 F CA 0.539 58.541 58.000 0.002 0.000 1.462 601 F CB -0.163 38.899 39.000 0.103 0.000 1.111 601 F HN 0.419 nan 8.300 nan 0.000 0.592 602 C N -1.770 117.303 119.300 -0.378 0.000 2.791 602 C HA 0.377 4.836 4.460 -0.001 0.000 0.270 602 C C 0.811 175.606 174.990 -0.326 0.000 1.257 602 C CA -0.536 58.062 59.018 -0.700 0.000 1.699 602 C CB -1.495 25.230 27.740 -1.692 0.000 1.904 602 C HN 0.140 nan 8.230 nan 0.000 0.603 603 M N 3.014 122.480 119.600 -0.223 0.000 2.023 603 M HA 0.316 4.796 4.480 -0.001 0.000 0.325 603 M C -0.823 175.385 176.300 -0.153 0.000 0.963 603 M CA 0.273 55.481 55.300 -0.153 0.000 0.928 603 M CB 0.380 32.930 32.600 -0.084 0.000 1.429 603 M HN 0.375 nan 8.290 nan 0.000 0.404 604 N N 0.536 119.132 118.700 -0.173 0.000 2.475 604 N HA 0.250 4.989 4.740 -0.001 0.000 0.272 604 N C 0.006 175.331 175.510 -0.309 0.000 1.482 604 N CA -0.553 52.355 53.050 -0.237 0.000 0.863 604 N CB 0.999 39.302 38.487 -0.307 0.000 1.400 604 N HN 0.615 nan 8.380 nan 0.000 0.489 605 G N -0.257 108.337 108.800 -0.343 0.000 2.477 605 G HA2 0.425 4.384 3.960 -0.001 0.000 0.304 605 G HA3 0.425 4.384 3.960 -0.001 0.000 0.304 605 G C 0.598 175.124 174.900 -0.623 0.000 1.175 605 G CA -0.684 44.113 45.100 -0.505 0.000 0.907 605 G HN 0.169 nan 8.290 nan 0.000 0.509 606 L N -0.210 120.608 121.223 -0.674 0.000 2.395 606 L HA 0.122 4.462 4.340 -0.001 0.000 0.218 606 L C 0.836 177.148 176.870 -0.929 0.000 1.130 606 L CA 0.375 54.843 54.840 -0.619 0.000 0.826 606 L CB -0.306 41.480 42.059 -0.454 0.000 0.941 606 L HN 0.387 nan 8.230 nan 0.000 0.451 607 V N -5.184 114.006 119.914 -1.206 0.000 3.040 607 V HA 0.477 4.596 4.120 -0.001 0.000 0.312 607 V C -0.237 175.250 176.094 -1.012 0.000 1.115 607 V CA -1.293 60.370 62.300 -1.062 0.000 0.998 607 V CB 1.597 32.908 31.823 -0.854 0.000 1.042 607 V HN -0.141 nan 8.190 nan 0.000 0.433 608 F N 1.385 121.040 119.950 -0.492 0.000 2.435 608 F HA 0.559 5.086 4.527 -0.001 0.000 0.316 608 F C 1.992 177.671 175.800 -0.202 0.000 1.220 608 F CA 0.556 58.438 58.000 -0.196 0.000 1.241 608 F CB 0.737 39.728 39.000 -0.015 0.000 1.234 608 F HN 0.775 nan 8.300 nan 0.000 0.569 609 A N 0.659 123.549 122.820 0.116 0.000 1.986 609 A HA -0.227 4.092 4.320 -0.001 0.000 0.220 609 A C 1.594 179.148 177.584 -0.050 0.000 1.171 609 A CA 1.950 54.011 52.037 0.041 0.000 0.640 609 A CB -0.978 18.083 19.000 0.102 0.000 0.811 609 A HN 0.782 nan 8.150 nan 0.000 0.451 610 D N -2.784 117.605 120.400 -0.019 0.000 2.336 610 D HA 0.148 4.787 4.640 -0.001 0.000 0.228 610 D C 0.561 176.844 176.300 -0.028 0.000 1.120 610 D CA -0.124 53.839 54.000 -0.062 0.000 0.839 610 D CB -0.162 40.607 40.800 -0.051 0.000 0.932 610 D HN 0.169 nan 8.370 nan 0.000 0.509 611 R N -1.504 118.973 120.500 -0.039 0.000 3.963 611 R HA -0.130 4.210 4.340 -0.001 0.000 0.394 611 R C -0.344 175.943 176.300 -0.021 0.000 1.131 611 R CA 1.058 57.124 56.100 -0.057 0.000 1.059 611 R CB -3.241 27.069 30.300 0.018 0.000 1.614 611 R HN 0.255 nan 8.270 nan 0.000 0.546 612 T N 2.193 116.786 114.554 0.065 0.000 2.901 612 T HA 0.343 4.692 4.350 -0.001 0.000 0.301 612 T C -2.323 172.468 174.700 0.151 0.000 1.012 612 T CA -0.876 61.305 62.100 0.136 0.000 1.135 612 T CB 1.082 70.058 68.868 0.179 0.000 0.936 612 T HN -0.091 nan 8.240 nan 0.000 0.539 613 P HA 0.164 nan 4.420 nan 0.000 0.271 613 P C -0.177 177.137 177.300 0.024 0.000 1.216 613 P CA -0.161 62.914 63.100 -0.042 0.000 0.771 613 P CB 0.348 32.045 31.700 -0.004 0.000 0.864 614 H N 3.487 122.370 119.070 -0.311 0.000 2.505 614 H HA 0.111 4.667 4.556 -0.001 0.000 0.355 614 H C -1.280 173.936 175.328 -0.187 0.000 1.179 614 H CA -1.937 53.891 56.048 -0.367 0.000 1.343 614 H CB 0.577 30.080 29.762 -0.432 0.000 1.501 614 H HN 0.354 nan 8.280 nan 0.000 0.569 615 P HA -0.184 nan 4.420 nan 0.000 0.218 615 P C 1.085 178.373 177.300 -0.019 0.000 1.148 615 P CA 1.495 64.573 63.100 -0.036 0.000 0.822 615 P CB 0.108 31.782 31.700 -0.043 0.000 0.784 616 A N -0.592 122.217 122.820 -0.019 0.000 1.978 616 A HA -0.194 4.126 4.320 -0.001 0.000 0.220 616 A C 2.068 179.590 177.584 -0.102 0.000 1.170 616 A CA 1.300 53.291 52.037 -0.075 0.000 0.636 616 A CB -1.604 17.334 19.000 -0.103 0.000 0.810 616 A HN 0.161 nan 8.150 nan 0.000 0.448 617 L N -0.501 120.683 121.223 -0.064 0.000 2.079 617 L HA -0.139 4.200 4.340 -0.001 0.000 0.210 617 L C 2.536 179.436 176.870 0.051 0.000 1.081 617 L CA 2.734 57.570 54.840 -0.007 0.000 0.752 617 L CB -1.019 41.035 42.059 -0.009 0.000 0.896 617 L HN 0.394 nan 8.230 nan 0.000 0.433 618 T N -1.681 112.910 114.554 0.061 0.000 2.867 618 T HA -0.198 4.152 4.350 -0.001 0.000 0.268 618 T C 1.809 176.600 174.700 0.152 0.000 1.057 618 T CA 1.423 63.613 62.100 0.150 0.000 1.136 618 T CB -0.106 68.836 68.868 0.124 0.000 0.874 618 T HN 0.489 nan 8.240 nan 0.000 0.466 619 E N 0.591 120.822 120.200 0.050 0.000 2.150 619 E HA 0.085 4.435 4.350 -0.001 0.000 0.193 619 E C 2.105 178.693 176.600 -0.020 0.000 0.985 619 E CA 1.251 57.683 56.400 0.052 0.000 0.814 619 E CB -0.515 29.186 29.700 0.001 0.000 0.752 619 E HN 0.533 nan 8.360 nan 0.000 0.466 620 A N 0.913 123.613 122.820 -0.200 0.000 1.898 620 A HA -0.162 4.157 4.320 -0.001 0.000 0.216 620 A C 2.148 179.588 177.584 -0.241 0.000 1.181 620 A CA 1.680 53.529 52.037 -0.313 0.000 0.620 620 A CB -0.539 18.262 19.000 -0.332 0.000 0.819 620 A HN 0.244 nan 8.150 nan 0.000 0.442 621 K N -1.162 119.173 120.400 -0.108 0.000 2.057 621 K HA -0.269 4.050 4.320 -0.001 0.000 0.207 621 K C 2.053 178.525 176.600 -0.214 0.000 1.049 621 K CA 1.897 58.129 56.287 -0.093 0.000 0.931 621 K CB -0.349 32.249 32.500 0.162 0.000 0.714 621 K HN 0.616 nan 8.250 nan 0.000 0.440 622 H N 0.486 119.358 119.070 -0.329 0.000 2.321 622 H HA -0.048 4.508 4.556 -0.001 0.000 0.300 622 H C 1.977 177.029 175.328 -0.460 0.000 1.087 622 H CA 1.899 57.580 56.048 -0.613 0.000 1.319 622 H CB 0.072 29.527 29.762 -0.512 0.000 1.379 622 H HN 0.225 nan 8.280 nan 0.000 0.501 623 Q N 0.203 119.762 119.800 -0.401 0.000 2.224 623 Q HA -0.080 4.260 4.340 -0.001 0.000 0.203 623 Q C 1.539 177.007 176.000 -0.887 0.000 0.970 623 Q CA 1.137 56.632 55.803 -0.514 0.000 0.865 623 Q CB 0.052 28.652 28.738 -0.231 0.000 0.922 623 Q HN 0.703 nan 8.270 nan 0.000 0.445 624 Q N 0.187 119.412 119.800 -0.958 0.000 2.280 624 Q HA 0.077 4.416 4.340 -0.001 0.000 0.202 624 Q C -0.148 175.268 176.000 -0.972 0.000 0.903 624 Q CA -0.206 54.868 55.803 -1.214 0.000 0.948 624 Q CB 0.344 28.404 28.738 -1.130 0.000 1.058 624 Q HN 0.380 nan 8.270 nan 0.000 0.493 625 Q N -0.470 118.909 119.800 -0.701 0.000 2.428 625 Q HA -0.035 4.304 4.340 -0.001 0.000 0.276 625 Q C -0.097 175.513 176.000 -0.651 0.000 1.059 625 Q CA 0.385 55.896 55.803 -0.486 0.000 0.923 625 Q CB 0.450 29.010 28.738 -0.297 0.000 1.283 625 Q HN 0.302 nan 8.270 nan 0.000 0.447 626 F N 0.073 119.785 119.950 -0.397 0.000 2.727 626 F HA 0.215 4.741 4.527 -0.001 0.000 0.302 626 F C -0.072 175.217 175.800 -0.853 0.000 1.097 626 F CA -0.027 57.512 58.000 -0.768 0.000 1.330 626 F CB 0.526 38.713 39.000 -1.354 0.000 1.084 626 F HN 0.307 nan 8.300 nan 0.000 0.578 627 F N 0.773 120.644 119.950 -0.132 0.000 2.493 627 F HA 0.459 4.986 4.527 -0.001 0.000 0.329 627 F C -0.025 175.444 175.800 -0.552 0.000 1.126 627 F CA -1.083 56.734 58.000 -0.305 0.000 0.937 627 F CB 1.183 40.036 39.000 -0.245 0.000 1.146 627 F HN -0.299 nan 8.300 nan 0.000 0.442 628 Q N 3.369 122.925 119.800 -0.407 0.000 2.266 628 Q HA 0.581 4.921 4.340 -0.001 0.000 0.261 628 Q C -1.233 174.487 176.000 -0.467 0.000 0.985 628 Q CA -0.611 55.002 55.803 -0.317 0.000 0.873 628 Q CB 2.712 31.376 28.738 -0.124 0.000 1.306 628 Q HN 0.512 nan 8.270 nan 0.000 0.447 629 F N 0.126 120.202 119.950 0.211 0.000 2.588 629 F HA 0.623 5.149 4.527 -0.001 0.000 0.314 629 F C 0.328 176.372 175.800 0.407 0.000 1.069 629 F CA -0.936 57.269 58.000 0.342 0.000 0.931 629 F CB 1.766 41.115 39.000 0.582 0.000 1.260 629 F HN 0.116 nan 8.300 nan 0.000 0.465 630 R N 1.495 122.304 120.500 0.515 0.000 2.651 630 R HA 0.679 5.019 4.340 -0.001 0.000 0.278 630 R C -2.038 174.311 176.300 0.081 0.000 1.010 630 R CA -1.102 55.208 56.100 0.350 0.000 0.896 630 R CB 3.102 33.514 30.300 0.186 0.000 1.211 630 R HN 0.639 nan 8.270 nan 0.000 0.456 631 L N 0.475 121.633 121.223 -0.109 0.000 2.362 631 L HA 0.615 4.954 4.340 -0.001 0.000 0.271 631 L C -0.893 175.844 176.870 -0.222 0.000 1.002 631 L CA -0.050 54.523 54.840 -0.447 0.000 0.818 631 L CB 2.191 43.571 42.059 -1.131 0.000 1.298 631 L HN 0.611 nan 8.230 nan 0.000 0.420 632 S N 3.437 119.015 115.700 -0.202 0.000 2.680 632 S HA 0.651 5.120 4.470 -0.001 0.000 0.262 632 S C 0.117 174.636 174.600 -0.135 0.000 1.138 632 S CA 0.233 58.358 58.200 -0.125 0.000 1.072 632 S CB 0.144 63.300 63.200 -0.074 0.000 1.097 632 S HN 1.665 nan 8.310 nan 0.000 0.468 633 G N 4.651 113.373 108.800 -0.130 0.000 2.565 633 G HA2 -0.280 3.679 3.960 -0.001 0.000 0.295 633 G HA3 -0.280 3.679 3.960 -0.001 0.000 0.295 633 G C 0.353 175.157 174.900 -0.161 0.000 1.165 633 G CA 0.612 45.639 45.100 -0.122 0.000 0.977 633 G HN 0.669 nan 8.290 nan 0.000 0.546 634 Q N 1.205 120.914 119.800 -0.152 0.000 2.319 634 Q HA 0.212 4.551 4.340 -0.001 0.000 0.202 634 Q C 0.568 176.446 176.000 -0.204 0.000 0.896 634 Q CA 0.824 56.515 55.803 -0.187 0.000 0.942 634 Q CB 0.641 29.286 28.738 -0.154 0.000 1.083 634 Q HN 0.530 nan 8.270 nan 0.000 0.510 635 T N 1.451 115.897 114.554 -0.179 0.000 2.767 635 T HA 0.531 4.880 4.350 -0.001 0.000 0.284 635 T C 0.273 174.861 174.700 -0.187 0.000 0.973 635 T CA -0.298 61.708 62.100 -0.157 0.000 0.996 635 T CB 1.217 70.025 68.868 -0.100 0.000 0.927 635 T HN 0.001 nan 8.240 nan 0.000 0.456 636 I N 2.701 123.174 120.570 -0.161 0.000 2.377 636 I HA 0.333 4.503 4.170 -0.001 0.000 0.293 636 I C 0.470 176.590 176.117 0.004 0.000 0.987 636 I CA -0.645 60.576 61.300 -0.132 0.000 1.185 636 I CB 1.470 39.408 38.000 -0.103 0.000 1.341 636 I HN 0.568 nan 8.210 nan 0.000 0.455 637 E N 6.536 126.772 120.200 0.060 0.000 2.133 637 E HA 0.425 4.775 4.350 -0.001 0.000 0.274 637 E C -1.543 175.140 176.600 0.138 0.000 0.930 637 E CA -0.598 55.852 56.400 0.083 0.000 0.770 637 E CB 1.667 31.403 29.700 0.059 0.000 1.104 637 E HN 0.349 nan 8.360 nan 0.000 0.403 638 V N 4.124 124.096 119.914 0.098 0.000 2.394 638 V HA 0.323 4.442 4.120 -0.001 0.000 0.282 638 V C 0.001 176.097 176.094 0.003 0.000 1.031 638 V CA -0.537 61.776 62.300 0.021 0.000 0.881 638 V CB 1.646 33.506 31.823 0.061 0.000 0.982 638 V HN 0.693 nan 8.190 nan 0.000 0.451 639 T N 3.356 117.874 114.554 -0.060 0.000 2.792 639 T HA 0.340 4.689 4.350 -0.001 0.000 0.280 639 T C -0.069 174.616 174.700 -0.024 0.000 0.990 639 T CA -0.244 61.840 62.100 -0.025 0.000 0.960 639 T CB 1.535 70.378 68.868 -0.042 0.000 0.939 639 T HN 0.689 nan 8.240 nan 0.000 0.439 640 S N 1.937 117.638 115.700 0.003 0.000 2.525 640 S HA 0.234 4.703 4.470 -0.001 0.000 0.278 640 S C 0.753 175.249 174.600 -0.173 0.000 1.234 640 S CA -0.543 57.605 58.200 -0.087 0.000 1.058 640 S CB 0.593 63.809 63.200 0.027 0.000 0.983 640 S HN 0.723 nan 8.310 nan 0.000 0.495 641 E N 2.969 122.974 120.200 -0.325 0.000 2.501 641 E HA 0.094 4.443 4.350 -0.001 0.000 0.201 641 E C -0.813 175.627 176.600 -0.267 0.000 1.016 641 E CA -0.099 56.138 56.400 -0.272 0.000 0.920 641 E CB 0.337 29.856 29.700 -0.302 0.000 1.023 641 E HN 0.693 nan 8.360 nan 0.000 0.474 642 Y N 0.552 120.743 120.300 -0.182 0.000 2.411 642 Y HA 0.019 4.569 4.550 -0.001 0.000 0.333 642 Y C 1.458 177.195 175.900 -0.271 0.000 1.186 642 Y CA -0.065 57.918 58.100 -0.195 0.000 1.381 642 Y CB 0.805 39.126 38.460 -0.232 0.000 1.273 642 Y HN -0.024 nan 8.280 nan 0.000 0.546 643 L N 1.762 122.812 121.223 -0.290 0.000 2.354 643 L HA 0.002 4.341 4.340 -0.001 0.000 0.212 643 L C 0.678 177.031 176.870 -0.861 0.000 1.091 643 L CA 0.827 55.228 54.840 -0.733 0.000 0.828 643 L CB -0.049 41.258 42.059 -1.254 0.000 0.973 643 L HN 0.653 nan 8.230 nan 0.000 0.461 644 F N -0.711 119.256 119.950 0.028 0.000 2.581 644 F HA 0.199 4.725 4.527 -0.001 0.000 0.278 644 F C 1.381 177.170 175.800 -0.017 0.000 1.000 644 F CA -0.822 57.169 58.000 -0.015 0.000 1.230 644 F CB 0.079 39.047 39.000 -0.053 0.000 1.008 644 F HN -0.168 nan 8.300 nan 0.000 0.695 645 R N 0.749 121.304 120.500 0.091 0.000 2.560 645 R HA 0.361 4.700 4.340 -0.001 0.000 0.270 645 R C -0.940 175.362 176.300 0.003 0.000 1.074 645 R CA -0.519 55.574 56.100 -0.012 0.000 1.140 645 R CB 0.562 30.744 30.300 -0.196 0.000 1.073 645 R HN 0.144 nan 8.270 nan 0.000 0.527 646 H N 0.118 119.163 119.070 -0.043 0.000 2.496 646 H HA 0.157 4.713 4.556 -0.001 0.000 0.342 646 H C -0.253 175.082 175.328 0.011 0.000 1.170 646 H CA -0.231 55.825 56.048 0.014 0.000 1.274 646 H CB 1.415 31.192 29.762 0.026 0.000 1.538 646 H HN 0.744 nan 8.280 nan 0.000 0.542 647 S N 2.202 117.751 115.700 -0.251 0.000 4.175 647 S HA -0.032 4.438 4.470 -0.001 0.000 0.193 647 S C 0.219 174.885 174.600 0.109 0.000 1.373 647 S CA -0.221 57.998 58.200 0.032 0.000 0.908 647 S CB -0.650 62.620 63.200 0.117 0.000 1.547 647 S HN 0.734 nan 8.310 nan 0.000 0.440 648 D N 0.871 121.361 120.400 0.150 0.000 2.349 648 D HA -0.033 4.606 4.640 -0.001 0.000 0.224 648 D C 0.367 176.717 176.300 0.084 0.000 1.029 648 D CA -0.018 54.075 54.000 0.155 0.000 0.879 648 D CB -0.265 40.609 40.800 0.124 0.000 0.906 648 D HN 0.544 nan 8.370 nan 0.000 0.528 649 N N 0.203 118.946 118.700 0.073 0.000 2.636 649 N HA 0.127 4.867 4.740 -0.001 0.000 0.287 649 N C -1.581 173.971 175.510 0.071 0.000 1.817 649 N CA -0.194 52.889 53.050 0.055 0.000 0.842 649 N CB 0.408 38.914 38.487 0.032 0.000 1.353 649 N HN -0.093 nan 8.380 nan 0.000 0.500 650 E N -0.114 120.122 120.200 0.059 0.000 2.331 650 E HA 0.534 4.884 4.350 -0.001 0.000 0.275 650 E C -1.745 174.852 176.600 -0.004 0.000 0.895 650 E CA -0.700 55.714 56.400 0.022 0.000 0.753 650 E CB 2.484 32.168 29.700 -0.027 0.000 1.216 650 E HN 0.168 nan 8.360 nan 0.000 0.434 651 L N 2.752 123.960 121.223 -0.025 0.000 2.410 651 L HA 0.578 4.917 4.340 -0.001 0.000 0.270 651 L C -1.951 174.910 176.870 -0.014 0.000 0.983 651 L CA -0.813 54.033 54.840 0.010 0.000 0.822 651 L CB 1.707 43.792 42.059 0.043 0.000 1.285 651 L HN 0.620 nan 8.230 nan 0.000 0.409 652 L N 5.050 126.330 121.223 0.095 0.000 2.257 652 L HA 0.489 4.828 4.340 -0.001 0.000 0.290 652 L C -0.746 176.314 176.870 0.316 0.000 1.044 652 L CA 0.165 55.100 54.840 0.158 0.000 0.810 652 L CB 0.439 42.616 42.059 0.197 0.000 1.193 652 L HN 0.654 nan 8.230 nan 0.000 0.425 653 H N 5.509 124.645 119.070 0.111 0.000 2.458 653 H HA 0.384 4.939 4.556 -0.001 0.000 0.330 653 H C -1.116 174.294 175.328 0.137 0.000 1.111 653 H CA -0.780 55.293 56.048 0.042 0.000 1.245 653 H CB 0.959 30.712 29.762 -0.013 0.000 1.456 653 H HN 0.675 nan 8.280 nan 0.000 0.488 654 W N 3.478 124.866 121.300 0.147 0.000 2.864 654 W HA 0.569 5.228 4.660 -0.001 0.000 0.343 654 W C -1.762 174.802 176.519 0.075 0.000 1.109 654 W CA -1.309 56.100 57.345 0.108 0.000 1.192 654 W CB 1.504 31.012 29.460 0.080 0.000 1.426 654 W HN 0.450 nan 8.180 nan 0.000 0.529 655 M N 3.307 123.146 119.600 0.398 0.000 2.322 655 M HA 0.525 5.004 4.480 -0.001 0.000 0.285 655 M C -2.519 173.989 176.300 0.347 0.000 1.119 655 M CA -0.442 54.987 55.300 0.215 0.000 0.953 655 M CB 1.947 34.575 32.600 0.047 0.000 1.701 655 M HN 0.211 nan 8.290 nan 0.000 0.479 656 V N 4.162 124.280 119.914 0.339 0.000 2.417 656 V HA 1.009 5.128 4.120 -0.001 0.000 0.291 656 V C -0.319 175.889 176.094 0.190 0.000 1.024 656 V CA -0.186 62.285 62.300 0.286 0.000 0.861 656 V CB 1.166 33.160 31.823 0.284 0.000 0.985 656 V HN 1.047 nan 8.190 nan 0.000 0.436 657 A N 4.584 127.523 122.820 0.199 0.000 2.475 657 A HA 0.876 5.195 4.320 -0.001 0.000 0.301 657 A C -1.414 176.289 177.584 0.199 0.000 1.059 657 A CA -0.627 51.497 52.037 0.145 0.000 0.710 657 A CB 1.723 20.771 19.000 0.080 0.000 1.288 657 A HN 0.841 nan 8.150 nan 0.000 0.408 658 L N 1.393 122.702 121.223 0.143 0.000 2.277 658 L HA 0.584 4.923 4.340 -0.001 0.000 0.284 658 L C -0.591 176.377 176.870 0.164 0.000 1.028 658 L CA 0.379 55.317 54.840 0.163 0.000 0.835 658 L CB 0.004 42.125 42.059 0.102 0.000 1.215 658 L HN 0.812 nan 8.230 nan 0.000 0.425 659 D N 4.596 125.164 120.400 0.279 0.000 2.689 659 D HA -0.143 4.496 4.640 -0.001 0.000 0.237 659 D C 1.181 177.509 176.300 0.047 0.000 1.148 659 D CA 1.749 55.901 54.000 0.253 0.000 0.656 659 D CB -1.018 39.895 40.800 0.188 0.000 1.050 659 D HN 1.198 nan 8.370 nan 0.000 0.426 660 G N -0.758 108.029 108.800 -0.022 0.000 2.253 660 G HA2 -0.387 3.573 3.960 -0.001 0.000 0.251 660 G HA3 -0.387 3.573 3.960 -0.001 0.000 0.251 660 G C 0.319 175.137 174.900 -0.137 0.000 0.998 660 G CA 0.379 45.360 45.100 -0.198 0.000 0.621 660 G HN 0.482 nan 8.290 nan 0.000 0.524 661 K N 2.631 123.001 120.400 -0.049 0.000 2.263 661 K HA 0.412 4.731 4.320 -0.001 0.000 0.282 661 K C -2.340 174.252 176.600 -0.013 0.000 1.089 661 K CA -1.639 54.625 56.287 -0.038 0.000 0.907 661 K CB 1.616 34.110 32.500 -0.011 0.000 1.148 661 K HN 0.180 nan 8.250 nan 0.000 0.470 662 P HA -0.042 nan 4.420 nan 0.000 0.267 662 P C -0.377 176.924 177.300 0.003 0.000 1.209 662 P CA -0.080 63.009 63.100 -0.018 0.000 0.763 662 P CB 0.952 32.617 31.700 -0.058 0.000 0.816 663 L N 2.991 124.236 121.223 0.038 0.000 2.445 663 L HA 0.427 4.766 4.340 -0.001 0.000 0.207 663 L C 1.192 178.096 176.870 0.056 0.000 1.053 663 L CA 1.126 55.995 54.840 0.049 0.000 0.841 663 L CB -0.676 41.427 42.059 0.074 0.000 1.074 663 L HN 0.475 nan 8.230 nan 0.000 0.479 664 A N -1.489 121.385 122.820 0.091 0.000 2.587 664 A HA 0.838 5.157 4.320 -0.001 0.000 0.293 664 A C -0.884 176.643 177.584 -0.095 0.000 1.087 664 A CA 0.198 52.291 52.037 0.093 0.000 0.692 664 A CB 1.546 20.733 19.000 0.312 0.000 1.291 664 A HN 0.081 nan 8.150 nan 0.000 0.407 665 S N -0.871 114.507 115.700 -0.537 0.000 2.587 665 S HA 0.943 5.412 4.470 -0.001 0.000 0.269 665 S C -0.315 173.379 174.600 -1.509 0.000 1.154 665 S CA -0.094 57.399 58.200 -1.178 0.000 0.824 665 S CB 1.042 63.898 63.200 -0.573 0.000 1.118 665 S HN 2.631 nan 8.310 nan 0.000 0.462 666 G N 0.007 107.730 108.800 -1.794 0.000 2.342 666 G HA2 0.605 4.565 3.960 -0.001 0.000 0.297 666 G HA3 0.605 4.565 3.960 -0.001 0.000 0.297 666 G C -2.263 172.207 174.900 -0.717 0.000 1.313 666 G CA -0.397 44.098 45.100 -1.008 0.000 0.830 666 G HN 1.186 nan 8.290 nan 0.000 0.506 667 E N -1.620 118.470 120.200 -0.182 0.000 2.356 667 E HA 0.693 5.042 4.350 -0.001 0.000 0.275 667 E C -1.764 174.948 176.600 0.187 0.000 0.904 667 E CA -1.060 55.373 56.400 0.055 0.000 0.757 667 E CB 2.744 32.438 29.700 -0.010 0.000 1.232 667 E HN 0.512 nan 8.360 nan 0.000 0.442 668 V N 2.235 122.292 119.914 0.239 0.000 2.623 668 V HA 0.374 4.493 4.120 -0.001 0.000 0.304 668 V C -2.483 173.700 176.094 0.147 0.000 1.054 668 V CA -1.968 60.445 62.300 0.187 0.000 0.882 668 V CB 1.924 33.868 31.823 0.202 0.000 1.002 668 V HN 0.684 nan 8.190 nan 0.000 0.424 669 P HA 0.220 nan 4.420 nan 0.000 0.268 669 P C -0.637 176.707 177.300 0.073 0.000 1.205 669 P CA -0.015 63.138 63.100 0.088 0.000 0.771 669 P CB 0.540 32.289 31.700 0.082 0.000 0.858 670 L N 3.010 124.257 121.223 0.040 0.000 2.292 670 L HA 0.333 4.672 4.340 -0.001 0.000 0.284 670 L C 0.419 177.314 176.870 0.043 0.000 1.065 670 L CA 0.219 55.063 54.840 0.008 0.000 0.806 670 L CB 0.722 42.715 42.059 -0.111 0.000 1.175 670 L HN 0.362 nan 8.230 nan 0.000 0.431 671 D N 2.998 123.432 120.400 0.057 0.000 2.621 671 D HA 0.268 4.907 4.640 -0.001 0.000 0.274 671 D C -1.421 174.902 176.300 0.038 0.000 1.215 671 D CA -0.094 53.992 54.000 0.142 0.000 0.810 671 D CB 1.232 42.155 40.800 0.205 0.000 1.248 671 D HN 0.109 nan 8.370 nan 0.000 0.517 672 V N 1.854 121.634 119.914 -0.224 0.000 2.487 672 V HA 0.856 4.975 4.120 -0.001 0.000 0.298 672 V C 0.022 175.919 176.094 -0.329 0.000 1.028 672 V CA -0.478 61.745 62.300 -0.129 0.000 0.860 672 V CB 1.220 33.064 31.823 0.034 0.000 0.991 672 V HN 0.516 nan 8.190 nan 0.000 0.427 673 A N 9.146 131.960 122.820 -0.010 0.000 2.406 673 A HA 0.607 4.926 4.320 -0.001 0.000 0.243 673 A C -2.315 175.302 177.584 0.055 0.000 1.082 673 A CA -1.088 51.040 52.037 0.151 0.000 0.786 673 A CB -0.220 18.901 19.000 0.202 0.000 1.029 673 A HN 0.780 nan 8.150 nan 0.000 0.495 674 P HA -0.012 nan 4.420 nan 0.000 0.262 674 P C -0.478 176.819 177.300 -0.004 0.000 1.182 674 P CA 0.650 63.766 63.100 0.026 0.000 0.761 674 P CB 0.477 32.180 31.700 0.006 0.000 0.795 675 Q N -0.820 118.963 119.800 -0.029 0.000 2.406 675 Q HA -0.180 4.160 4.340 -0.001 0.000 0.236 675 Q C 0.814 176.807 176.000 -0.012 0.000 0.799 675 Q CA 1.391 57.169 55.803 -0.041 0.000 1.286 675 Q CB -2.253 26.452 28.738 -0.056 0.000 1.615 675 Q HN 0.778 nan 8.270 nan 0.000 0.621 676 G N 0.377 109.183 108.800 0.011 0.000 2.537 676 G HA2 0.571 4.530 3.960 -0.001 0.000 0.297 676 G HA3 0.571 4.530 3.960 -0.001 0.000 0.297 676 G C -0.357 174.561 174.900 0.028 0.000 1.310 676 G CA -0.547 44.569 45.100 0.027 0.000 1.027 676 G HN -0.006 nan 8.290 nan 0.000 0.505 677 K N -0.668 119.753 120.400 0.036 0.000 2.435 677 K HA 0.468 4.787 4.320 -0.001 0.000 0.251 677 K C -1.062 175.566 176.600 0.046 0.000 0.954 677 K CA -0.630 55.680 56.287 0.037 0.000 0.820 677 K CB 2.659 35.175 32.500 0.027 0.000 1.292 677 K HN 0.513 nan 8.250 nan 0.000 0.436 678 Q N 2.642 122.471 119.800 0.050 0.000 2.305 678 Q HA 0.405 4.745 4.340 -0.001 0.000 0.271 678 Q C -1.667 174.363 176.000 0.049 0.000 1.046 678 Q CA -0.668 55.166 55.803 0.053 0.000 0.798 678 Q CB 1.531 30.305 28.738 0.060 0.000 1.286 678 Q HN 0.536 nan 8.270 nan 0.000 0.435 679 L N 5.064 126.309 121.223 0.037 0.000 2.282 679 L HA 0.565 4.904 4.340 -0.001 0.000 0.288 679 L C -0.542 176.339 176.870 0.018 0.000 1.033 679 L CA -0.647 54.206 54.840 0.022 0.000 0.807 679 L CB 1.347 43.411 42.059 0.008 0.000 1.209 679 L HN 0.584 nan 8.230 nan 0.000 0.423 680 I N 2.747 123.319 120.570 0.004 0.000 2.411 680 I HA 0.243 4.412 4.170 -0.001 0.000 0.284 680 I C -0.535 175.538 176.117 -0.073 0.000 1.012 680 I CA -0.628 60.666 61.300 -0.010 0.000 1.119 680 I CB 1.877 39.889 38.000 0.020 0.000 1.261 680 I HN 0.506 nan 8.210 nan 0.000 0.448 681 E N 6.228 126.384 120.200 -0.074 0.000 2.229 681 E HA 0.443 4.792 4.350 -0.001 0.000 0.283 681 E C -0.677 175.820 176.600 -0.172 0.000 1.030 681 E CA -0.253 56.079 56.400 -0.114 0.000 0.836 681 E CB 1.117 30.771 29.700 -0.076 0.000 1.068 681 E HN 0.422 nan 8.360 nan 0.000 0.401 682 L N 5.625 126.682 121.223 -0.275 0.000 2.395 682 L HA 0.390 4.730 4.340 -0.001 0.000 0.269 682 L C -1.665 175.038 176.870 -0.279 0.000 1.133 682 L CA -1.917 52.663 54.840 -0.433 0.000 0.812 682 L CB 0.479 42.148 42.059 -0.650 0.000 1.125 682 L HN 0.421 nan 8.230 nan 0.000 0.452 683 P HA 0.044 nan 4.420 nan 0.000 0.273 683 P C -0.861 176.379 177.300 -0.100 0.000 1.250 683 P CA -0.512 62.532 63.100 -0.093 0.000 0.793 683 P CB 0.469 32.176 31.700 0.013 0.000 1.011 684 E N 0.341 120.512 120.200 -0.049 0.000 2.493 684 E HA 0.067 4.416 4.350 -0.001 0.000 0.255 684 E C -0.328 176.259 176.600 -0.022 0.000 0.999 684 E CA 0.101 56.477 56.400 -0.041 0.000 0.934 684 E CB -0.043 29.644 29.700 -0.021 0.000 0.940 684 E HN 0.318 nan 8.360 nan 0.000 0.473 685 L N 6.634 127.836 121.223 -0.035 0.000 2.261 685 L HA 0.258 4.597 4.340 -0.001 0.000 0.289 685 L C -1.703 175.172 176.870 0.008 0.000 1.059 685 L CA -2.059 52.780 54.840 -0.002 0.000 0.816 685 L CB 0.309 42.355 42.059 -0.021 0.000 1.191 685 L HN 0.321 nan 8.230 nan 0.000 0.431 686 P HA -0.009 nan 4.420 nan 0.000 0.264 686 P C -0.621 176.691 177.300 0.020 0.000 1.229 686 P CA -0.486 62.626 63.100 0.020 0.000 0.780 686 P CB 0.570 32.286 31.700 0.027 0.000 0.808 687 Q N 5.665 125.472 119.800 0.010 0.000 2.263 687 Q HA 0.110 4.450 4.340 -0.001 0.000 0.289 687 Q C -2.234 173.776 176.000 0.016 0.000 1.061 687 Q CA -1.226 54.583 55.803 0.010 0.000 0.927 687 Q CB -0.447 28.292 28.738 0.002 0.000 1.154 687 Q HN 0.405 nan 8.270 nan 0.000 0.378 688 P HA 0.102 nan 4.420 nan 0.000 0.279 688 P C -0.378 176.935 177.300 0.021 0.000 1.239 688 P CA -0.230 62.885 63.100 0.025 0.000 0.789 688 P CB 0.957 32.678 31.700 0.034 0.000 0.933 689 E N 1.001 121.212 120.200 0.019 0.000 2.017 689 E HA -0.100 4.249 4.350 -0.001 0.000 0.193 689 E C 1.081 177.693 176.600 0.020 0.000 0.997 689 E CA 0.868 57.278 56.400 0.017 0.000 0.804 689 E CB -1.363 28.346 29.700 0.015 0.000 0.757 689 E HN 0.467 nan 8.360 nan 0.000 0.448 690 S N 0.172 115.886 115.700 0.024 0.000 2.554 690 S HA 0.243 4.712 4.470 -0.001 0.000 0.290 690 S C 0.264 174.884 174.600 0.033 0.000 1.309 690 S CA -0.130 58.087 58.200 0.029 0.000 1.047 690 S CB 0.131 63.350 63.200 0.032 0.000 0.828 690 S HN 0.423 nan 8.310 nan 0.000 0.509 691 A N 3.190 126.031 122.820 0.036 0.000 2.313 691 A HA 0.786 5.106 4.320 -0.001 0.000 0.261 691 A C 0.911 178.526 177.584 0.052 0.000 1.090 691 A CA 0.239 52.299 52.037 0.038 0.000 0.807 691 A CB -0.228 18.794 19.000 0.037 0.000 1.055 691 A HN 2.058 nan 8.150 nan 0.000 0.492 692 G N -0.961 107.871 108.800 0.053 0.000 2.347 692 G HA2 0.419 4.379 3.960 -0.001 0.000 0.341 692 G HA3 0.419 4.379 3.960 -0.001 0.000 0.341 692 G C -1.084 173.855 174.900 0.064 0.000 1.287 692 G CA -0.132 45.015 45.100 0.078 0.000 0.984 692 G HN 1.155 nan 8.290 nan 0.000 0.526 693 Q N -0.378 119.482 119.800 0.101 0.000 2.271 693 Q HA 0.739 5.078 4.340 -0.001 0.000 0.258 693 Q C -0.373 175.683 176.000 0.093 0.000 0.936 693 Q CA -0.570 55.251 55.803 0.030 0.000 0.909 693 Q CB 1.321 30.052 28.738 -0.013 0.000 1.253 693 Q HN 0.586 nan 8.270 nan 0.000 0.440 694 L N 4.412 125.616 121.223 -0.030 0.000 2.305 694 L HA 0.461 4.801 4.340 -0.001 0.000 0.281 694 L C -0.842 175.995 176.870 -0.056 0.000 1.085 694 L CA -0.408 54.458 54.840 0.044 0.000 0.813 694 L CB 0.667 42.734 42.059 0.013 0.000 1.157 694 L HN 0.675 nan 8.230 nan 0.000 0.436 695 W N 4.379 125.735 121.300 0.093 0.000 2.666 695 W HA 0.525 5.184 4.660 -0.002 0.000 0.334 695 W C -0.760 175.860 176.519 0.168 0.000 1.051 695 W CA -0.550 56.873 57.345 0.130 0.000 1.224 695 W CB 1.709 31.269 29.460 0.168 0.000 1.405 695 W HN 0.122 nan 8.180 nan 0.000 0.513 696 L N 3.238 124.729 121.223 0.447 0.000 2.305 696 L HA 0.727 5.067 4.340 -0.001 0.000 0.284 696 L C -0.447 176.729 176.870 0.510 0.000 1.013 696 L CA 0.016 55.106 54.840 0.415 0.000 0.819 696 L CB 1.281 43.532 42.059 0.320 0.000 1.227 696 L HN 0.309 nan 8.230 nan 0.000 0.417 697 T N 5.094 119.895 114.554 0.412 0.000 2.824 697 T HA 0.693 5.043 4.350 -0.001 0.000 0.282 697 T C -0.784 174.115 174.700 0.330 0.000 0.993 697 T CA -0.443 61.863 62.100 0.343 0.000 0.967 697 T CB 1.549 70.554 68.868 0.229 0.000 0.960 697 T HN 0.595 nan 8.240 nan 0.000 0.441 698 V N 1.701 121.789 119.914 0.290 0.000 2.735 698 V HA 0.934 5.054 4.120 -0.001 0.000 0.310 698 V C -0.741 175.444 176.094 0.150 0.000 1.061 698 V CA -1.324 61.110 62.300 0.225 0.000 0.913 698 V CB 1.895 33.812 31.823 0.157 0.000 1.005 698 V HN 1.017 nan 8.190 nan 0.000 0.428 699 R N 2.216 122.819 120.500 0.170 0.000 2.651 699 R HA 0.835 5.174 4.340 -0.001 0.000 0.278 699 R C -2.051 174.321 176.300 0.119 0.000 1.010 699 R CA -0.803 55.410 56.100 0.188 0.000 0.896 699 R CB 2.200 32.597 30.300 0.162 0.000 1.211 699 R HN 0.526 nan 8.270 nan 0.000 0.456 700 V N 3.123 123.138 119.914 0.168 0.000 2.383 700 V HA 0.342 4.462 4.120 -0.001 0.000 0.275 700 V C -0.173 175.936 176.094 0.024 0.000 1.036 700 V CA -0.542 61.806 62.300 0.079 0.000 0.889 700 V CB 1.431 33.327 31.823 0.120 0.000 0.985 700 V HN 0.545 nan 8.190 nan 0.000 0.459 701 V N 4.963 124.810 119.914 -0.111 0.000 2.628 701 V HA 0.402 4.521 4.120 -0.001 0.000 0.306 701 V C -0.236 175.842 176.094 -0.027 0.000 1.045 701 V CA -0.763 61.465 62.300 -0.120 0.000 0.905 701 V CB 2.025 33.636 31.823 -0.352 0.000 0.997 701 V HN 0.888 nan 8.190 nan 0.000 0.436 702 Q N 4.815 124.644 119.800 0.049 0.000 2.421 702 Q HA 0.264 4.604 4.340 -0.001 0.000 0.242 702 Q C -1.829 174.185 176.000 0.023 0.000 1.024 702 Q CA -1.681 54.160 55.803 0.064 0.000 0.891 702 Q CB 1.820 30.622 28.738 0.106 0.000 1.222 702 Q HN 0.477 nan 8.270 nan 0.000 0.483 703 P HA -0.192 nan 4.420 nan 0.000 0.215 703 P C -0.587 176.713 177.300 0.001 0.000 1.153 703 P CA 1.227 64.338 63.100 0.017 0.000 0.853 703 P CB 0.363 32.080 31.700 0.028 0.000 0.788 704 N N -0.787 117.905 118.700 -0.014 0.000 2.498 704 N HA 0.429 5.168 4.740 -0.001 0.000 0.287 704 N C -0.313 175.146 175.510 -0.086 0.000 1.097 704 N CA -0.643 52.384 53.050 -0.039 0.000 0.973 704 N CB 0.808 39.274 38.487 -0.035 0.000 1.153 704 N HN -0.036 nan 8.380 nan 0.000 0.472 705 A N 0.851 123.613 122.820 -0.096 0.000 2.346 705 A HA 0.502 4.821 4.320 -0.001 0.000 0.252 705 A C 0.555 178.009 177.584 -0.217 0.000 1.089 705 A CA -0.072 51.872 52.037 -0.156 0.000 0.797 705 A CB 0.108 19.043 19.000 -0.108 0.000 1.047 705 A HN 0.709 nan 8.150 nan 0.000 0.494 706 T N -3.463 110.880 114.554 -0.352 0.000 2.693 706 T HA 0.626 4.976 4.350 -0.001 0.000 0.278 706 T C 0.909 175.430 174.700 -0.299 0.000 0.994 706 T CA 0.071 61.939 62.100 -0.386 0.000 1.033 706 T CB 1.030 69.463 68.868 -0.724 0.000 1.342 706 T HN 1.355 nan 8.240 nan 0.000 0.538 707 A N -0.154 122.562 122.820 -0.173 0.000 2.066 707 A HA 0.130 4.449 4.320 -0.001 0.000 0.218 707 A C 1.654 179.376 177.584 0.231 0.000 1.157 707 A CA 1.000 53.051 52.037 0.023 0.000 0.670 707 A CB -0.868 18.140 19.000 0.012 0.000 0.804 707 A HN 0.904 nan 8.150 nan 0.000 0.453 708 W N -0.741 120.638 121.300 0.132 0.000 2.870 708 W HA 0.405 5.064 4.660 -0.001 0.000 0.358 708 W C -0.146 176.357 176.519 -0.027 0.000 1.043 708 W CA 0.519 57.918 57.345 0.091 0.000 1.692 708 W CB -0.913 28.590 29.460 0.071 0.000 1.100 708 W HN 0.414 nan 8.180 nan 0.000 0.557 709 S N 0.062 115.390 115.700 -0.619 0.000 2.570 709 S HA 0.453 4.922 4.470 -0.001 0.000 0.270 709 S C -0.982 173.404 174.600 -0.357 0.000 1.149 709 S CA -0.755 57.110 58.200 -0.559 0.000 0.837 709 S CB 2.726 65.225 63.200 -1.169 0.000 1.124 709 S HN 0.116 nan 8.310 nan 0.000 0.465 710 E N 0.573 120.675 120.200 -0.164 0.000 2.314 710 E HA 0.595 4.945 4.350 -0.001 0.000 0.262 710 E C 0.196 176.766 176.600 -0.051 0.000 1.093 710 E CA -0.898 55.456 56.400 -0.076 0.000 0.908 710 E CB 1.159 30.857 29.700 -0.004 0.000 1.091 710 E HN 0.874 nan 8.360 nan 0.000 0.425 711 A N 0.631 123.430 122.820 -0.035 0.000 2.511 711 A HA 0.385 4.704 4.320 -0.001 0.000 0.242 711 A C 1.129 178.727 177.584 0.023 0.000 1.069 711 A CA 0.793 52.822 52.037 -0.014 0.000 0.763 711 A CB -0.487 18.507 19.000 -0.010 0.000 1.001 711 A HN 0.812 nan 8.150 nan 0.000 0.498 712 G N 0.589 109.409 108.800 0.034 0.000 2.175 712 G HA2 -0.241 3.719 3.960 -0.001 0.000 0.244 712 G HA3 -0.241 3.719 3.960 -0.001 0.000 0.244 712 G C 0.252 175.186 174.900 0.058 0.000 0.982 712 G CA 0.621 45.745 45.100 0.040 0.000 0.641 712 G HN 1.712 nan 8.290 nan 0.000 0.527 713 H N 0.866 119.937 119.070 0.002 0.000 3.034 713 H HA 0.411 4.967 4.556 -0.001 0.000 0.324 713 H C 0.804 176.192 175.328 0.100 0.000 1.015 713 H CA 0.450 56.528 56.048 0.050 0.000 1.429 713 H CB 0.138 29.914 29.762 0.023 0.000 1.429 713 H HN 0.322 nan 8.280 nan 0.000 0.585 714 I N 4.831 125.117 120.570 -0.474 0.000 2.325 714 I HA 0.042 4.211 4.170 -0.001 0.000 0.291 714 I C 0.990 176.965 176.117 -0.237 0.000 1.019 714 I CA 0.048 61.218 61.300 -0.216 0.000 1.302 714 I CB 1.453 39.403 38.000 -0.084 0.000 1.401 714 I HN 0.762 nan 8.210 nan 0.000 0.485 715 S N 4.230 120.017 115.700 0.144 0.000 2.502 715 S HA 0.544 5.013 4.470 -0.001 0.000 0.215 715 S C 0.510 175.365 174.600 0.425 0.000 1.009 715 S CA 0.064 58.498 58.200 0.390 0.000 0.908 715 S CB 0.553 64.093 63.200 0.566 0.000 0.801 715 S HN 0.726 nan 8.310 nan 0.000 0.505 716 A N 0.326 123.416 122.820 0.450 0.000 2.608 716 A HA 0.675 4.994 4.320 -0.001 0.000 0.292 716 A C -1.831 176.076 177.584 0.538 0.000 1.066 716 A CA -0.779 51.496 52.037 0.397 0.000 0.676 716 A CB 0.357 19.643 19.000 0.477 0.000 1.277 716 A HN 0.995 nan 8.150 nan 0.000 0.413 717 W N -0.471 120.984 121.300 0.259 0.000 2.989 717 W HA 0.791 5.451 4.660 -0.001 0.000 0.344 717 W C -1.314 175.240 176.519 0.059 0.000 1.233 717 W CA -0.520 56.876 57.345 0.085 0.000 1.187 717 W CB 1.042 30.536 29.460 0.057 0.000 1.443 717 W HN 1.087 nan 8.180 nan 0.000 0.573 718 Q N 0.975 120.829 119.800 0.091 0.000 2.594 718 Q HA 0.406 4.746 4.340 -0.001 0.000 0.278 718 Q C -1.703 174.154 176.000 -0.238 0.000 0.961 718 Q CA -0.457 55.231 55.803 -0.192 0.000 0.844 718 Q CB 2.273 30.662 28.738 -0.582 0.000 1.475 718 Q HN 0.613 nan 8.270 nan 0.000 0.389 719 Q N 1.309 120.912 119.800 -0.329 0.000 2.413 719 Q HA 0.656 4.996 4.340 -0.001 0.000 0.276 719 Q C -1.189 174.716 176.000 -0.158 0.000 1.099 719 Q CA -0.691 55.111 55.803 -0.001 0.000 0.814 719 Q CB 2.360 31.276 28.738 0.297 0.000 1.379 719 Q HN 0.592 nan 8.270 nan 0.000 0.436 720 W N 1.109 122.563 121.300 0.258 0.000 3.138 720 W HA 0.420 5.079 4.660 -0.001 0.000 0.331 720 W C -0.465 175.960 176.519 -0.156 0.000 1.166 720 W CA -0.649 56.737 57.345 0.068 0.000 1.212 720 W CB 1.730 31.206 29.460 0.026 0.000 1.399 720 W HN 0.415 nan 8.180 nan 0.000 0.514 721 R N 2.207 122.563 120.500 -0.240 0.000 2.298 721 R HA 0.444 4.784 4.340 -0.001 0.000 0.310 721 R C 0.468 176.590 176.300 -0.298 0.000 1.068 721 R CA -0.174 55.504 56.100 -0.703 0.000 0.957 721 R CB 1.146 30.983 30.300 -0.772 0.000 1.003 721 R HN 0.316 nan 8.270 nan 0.000 0.454 722 L N 1.478 122.538 121.223 -0.271 0.000 2.812 722 L HA 0.494 4.833 4.340 -0.001 0.000 0.172 722 L C 0.703 177.482 176.870 -0.153 0.000 1.892 722 L CA -0.935 53.819 54.840 -0.144 0.000 2.525 722 L CB -0.110 41.903 42.059 -0.078 0.000 2.930 722 L HN 0.581 nan 8.230 nan 0.000 0.625 723 A N 0.435 123.195 122.820 -0.100 0.000 2.483 723 A HA 0.182 4.501 4.320 -0.001 0.000 0.238 723 A C -0.244 177.287 177.584 -0.089 0.000 1.070 723 A CA 0.259 52.248 52.037 -0.081 0.000 0.770 723 A CB 0.039 19.009 19.000 -0.050 0.000 1.008 723 A HN 0.617 nan 8.150 nan 0.000 0.497 724 E N 1.480 121.635 120.200 -0.076 0.000 2.256 724 E HA 0.297 4.646 4.350 -0.001 0.000 0.268 724 E C -1.465 175.118 176.600 -0.028 0.000 0.877 724 E CA -0.701 55.661 56.400 -0.062 0.000 0.757 724 E CB 0.949 30.598 29.700 -0.084 0.000 1.183 724 E HN 0.691 nan 8.360 nan 0.000 0.418 725 N N 5.403 124.098 118.700 -0.008 0.000 2.564 725 N HA 0.254 4.994 4.740 -0.001 0.000 0.248 725 N C -0.480 175.038 175.510 0.014 0.000 0.986 725 N CA -0.340 52.712 53.050 0.003 0.000 0.921 725 N CB 1.159 39.652 38.487 0.009 0.000 1.136 725 N HN 0.507 nan 8.380 nan 0.000 0.509 726 L N 0.995 122.225 121.223 0.012 0.000 2.490 726 L HA 0.037 4.376 4.340 -0.001 0.000 0.274 726 L C 1.324 178.210 176.870 0.026 0.000 1.201 726 L CA 0.287 55.140 54.840 0.022 0.000 0.869 726 L CB 0.380 42.451 42.059 0.019 0.000 1.123 726 L HN 0.359 nan 8.230 nan 0.000 0.484 727 S N 2.072 117.793 115.700 0.035 0.000 2.505 727 S HA 0.254 4.724 4.470 -0.001 0.000 0.276 727 S C 0.600 175.219 174.600 0.032 0.000 1.274 727 S CA -0.775 57.446 58.200 0.035 0.000 1.053 727 S CB 0.864 64.090 63.200 0.044 0.000 0.919 727 S HN 0.469 nan 8.310 nan 0.000 0.490 728 V N 2.101 122.031 119.914 0.026 0.000 3.432 728 V HA 0.322 4.441 4.120 -0.001 0.000 0.298 728 V C 0.643 176.750 176.094 0.022 0.000 1.464 728 V CA 0.081 62.394 62.300 0.023 0.000 1.046 728 V CB -0.727 31.107 31.823 0.018 0.000 0.887 728 V HN 0.858 nan 8.190 nan 0.000 0.441 729 T N 1.402 115.970 114.554 0.025 0.000 2.834 729 T HA 0.587 4.937 4.350 -0.001 0.000 0.298 729 T C -0.290 174.425 174.700 0.024 0.000 0.966 729 T CA -0.247 61.867 62.100 0.023 0.000 1.141 729 T CB 0.922 69.805 68.868 0.025 0.000 0.905 729 T HN 0.177 nan 8.240 nan 0.000 0.535 730 L N 6.074 127.309 121.223 0.019 0.000 2.313 730 L HA 0.340 4.680 4.340 -0.001 0.000 0.282 730 L C -1.162 175.720 176.870 0.019 0.000 1.092 730 L CA -1.541 53.310 54.840 0.018 0.000 0.831 730 L CB -0.614 41.451 42.059 0.011 0.000 1.159 730 L HN 0.611 nan 8.230 nan 0.000 0.442 731 P HA 0.117 nan 4.420 nan 0.000 0.267 731 P C -0.530 176.780 177.300 0.017 0.000 1.200 731 P CA -0.516 62.599 63.100 0.025 0.000 0.772 731 P CB 0.668 32.386 31.700 0.031 0.000 0.855 732 A N 2.662 125.495 122.820 0.021 0.000 2.548 732 A HA 0.374 4.693 4.320 -0.001 0.000 0.247 732 A C 0.882 178.465 177.584 -0.002 0.000 1.067 732 A CA 0.111 52.157 52.037 0.015 0.000 0.757 732 A CB -0.607 18.414 19.000 0.035 0.000 0.996 732 A HN 0.747 nan 8.150 nan 0.000 0.504 733 A N 3.698 126.496 122.820 -0.037 0.000 2.488 733 A HA 0.497 4.817 4.320 -0.001 0.000 0.249 733 A C 0.961 178.470 177.584 -0.127 0.000 1.083 733 A CA 0.331 52.321 52.037 -0.077 0.000 0.768 733 A CB -0.273 18.663 19.000 -0.107 0.000 1.017 733 A HN 1.801 nan 8.150 nan 0.000 0.496 734 S N 1.761 117.417 115.700 -0.073 0.000 2.586 734 S HA 0.365 4.834 4.470 -0.001 0.000 0.274 734 S C 0.313 174.858 174.600 -0.092 0.000 1.281 734 S CA -0.341 57.849 58.200 -0.015 0.000 1.035 734 S CB 0.479 63.709 63.200 0.051 0.000 0.962 734 S HN 0.679 nan 8.310 nan 0.000 0.512 735 H N 0.900 119.985 119.070 0.024 0.000 2.551 735 H HA 0.455 5.011 4.556 -0.001 0.000 0.266 735 H C 1.108 176.451 175.328 0.026 0.000 0.964 735 H CA 0.702 56.763 56.048 0.021 0.000 1.180 735 H CB -0.292 29.481 29.762 0.019 0.000 1.408 735 H HN 0.819 nan 8.280 nan 0.000 0.563 736 A N 0.920 123.828 122.820 0.147 0.000 2.287 736 A HA 0.518 4.838 4.320 -0.001 0.000 0.273 736 A C -0.473 177.156 177.584 0.075 0.000 1.091 736 A CA -0.321 51.779 52.037 0.105 0.000 0.817 736 A CB 0.290 19.354 19.000 0.106 0.000 1.069 736 A HN 0.243 nan 8.150 nan 0.000 0.492 737 I N 0.668 121.283 120.570 0.076 0.000 2.563 737 I HA 0.476 4.646 4.170 -0.001 0.000 0.285 737 I C -2.745 173.423 176.117 0.086 0.000 1.123 737 I CA -2.148 59.189 61.300 0.062 0.000 1.059 737 I CB 1.837 39.868 38.000 0.052 0.000 1.229 737 I HN 0.342 nan 8.210 nan 0.000 0.442 738 P HA 0.098 nan 4.420 nan 0.000 0.266 738 P C -1.228 176.144 177.300 0.120 0.000 1.195 738 P CA 0.300 63.464 63.100 0.106 0.000 0.768 738 P CB 0.214 31.933 31.700 0.032 0.000 0.838 739 H N 3.499 122.612 119.070 0.072 0.000 2.476 739 H HA 0.354 4.910 4.556 -0.001 0.000 0.328 739 H C -1.033 174.336 175.328 0.069 0.000 1.073 739 H CA -0.891 55.190 56.048 0.056 0.000 1.229 739 H CB 0.969 30.764 29.762 0.054 0.000 1.432 739 H HN 0.237 nan 8.280 nan 0.000 0.477 740 L N 4.791 125.750 121.223 -0.440 0.000 2.334 740 L HA 0.350 4.690 4.340 -0.001 0.000 0.277 740 L C -0.661 176.015 176.870 -0.323 0.000 1.075 740 L CA 0.087 54.769 54.840 -0.263 0.000 0.804 740 L CB 1.565 43.493 42.059 -0.218 0.000 1.174 740 L HN 0.603 nan 8.230 nan 0.000 0.438 741 T N 3.027 117.572 114.554 -0.015 0.000 2.886 741 T HA 0.620 4.969 4.350 -0.001 0.000 0.292 741 T C -0.714 174.083 174.700 0.162 0.000 1.012 741 T CA -0.475 61.673 62.100 0.080 0.000 0.982 741 T CB 1.563 70.525 68.868 0.158 0.000 1.018 741 T HN 0.694 nan 8.240 nan 0.000 0.451 742 T N 2.263 116.906 114.554 0.147 0.000 2.887 742 T HA 0.809 5.159 4.350 -0.001 0.000 0.288 742 T C -0.441 174.301 174.700 0.070 0.000 1.021 742 T CA -0.819 61.387 62.100 0.177 0.000 1.000 742 T CB 1.589 70.600 68.868 0.239 0.000 1.034 742 T HN 0.750 nan 8.240 nan 0.000 0.467 743 S N 0.881 116.579 115.700 -0.003 0.000 2.638 743 S HA 0.468 4.938 4.470 -0.001 0.000 0.274 743 S C 0.542 175.081 174.600 -0.102 0.000 1.157 743 S CA -0.854 57.329 58.200 -0.029 0.000 0.826 743 S CB 1.559 64.753 63.200 -0.010 0.000 1.139 743 S HN 0.444 nan 8.310 nan 0.000 0.474 744 E N 0.694 120.848 120.200 -0.076 0.000 2.130 744 E HA -0.097 4.253 4.350 -0.001 0.000 0.196 744 E C 1.318 177.838 176.600 -0.134 0.000 0.998 744 E CA 1.682 58.024 56.400 -0.096 0.000 0.806 744 E CB -0.347 29.320 29.700 -0.054 0.000 0.738 744 E HN 0.721 nan 8.360 nan 0.000 0.459 745 M N -0.180 119.357 119.600 -0.105 0.000 2.337 745 M HA 0.098 4.578 4.480 -0.001 0.000 0.256 745 M C -0.285 175.950 176.300 -0.108 0.000 1.075 745 M CA 0.260 55.503 55.300 -0.094 0.000 1.024 745 M CB 0.774 33.353 32.600 -0.035 0.000 1.429 745 M HN -0.239 nan 8.290 nan 0.000 0.497 746 D N -0.676 119.636 120.400 -0.146 0.000 2.602 746 D HA 0.412 5.052 4.640 -0.001 0.000 0.236 746 D C -1.514 174.723 176.300 -0.105 0.000 1.209 746 D CA -0.322 53.630 54.000 -0.081 0.000 0.831 746 D CB 2.294 43.132 40.800 0.063 0.000 1.478 746 D HN -0.036 nan 8.370 nan 0.000 0.438 747 F N 1.022 121.055 119.950 0.138 0.000 2.496 747 F HA 0.343 4.869 4.527 -0.001 0.000 0.341 747 F C -0.239 175.694 175.800 0.222 0.000 1.134 747 F CA -0.732 57.341 58.000 0.122 0.000 0.968 747 F CB 1.317 40.356 39.000 0.065 0.000 1.205 747 F HN 0.080 nan 8.300 nan 0.000 0.436 748 C N 4.619 124.145 119.300 0.376 0.000 2.456 748 C HA 0.733 5.192 4.460 -0.001 0.000 0.325 748 C C -0.267 174.906 174.990 0.305 0.000 1.217 748 C CA -0.729 58.500 59.018 0.351 0.000 1.687 748 C CB 0.983 28.881 27.740 0.263 0.000 2.270 748 C HN 0.514 nan 8.230 nan 0.000 0.499 749 I N 2.279 123.084 120.570 0.391 0.000 2.509 749 I HA 0.518 4.687 4.170 -0.001 0.000 0.293 749 I C -0.114 176.282 176.117 0.466 0.000 1.020 749 I CA -0.170 61.344 61.300 0.356 0.000 1.088 749 I CB 1.478 39.661 38.000 0.305 0.000 1.267 749 I HN 0.661 nan 8.210 nan 0.000 0.430 750 E N 5.505 125.925 120.200 0.367 0.000 2.248 750 E HA 0.739 5.089 4.350 -0.001 0.000 0.267 750 E C -1.932 174.857 176.600 0.315 0.000 0.877 750 E CA -0.813 55.778 56.400 0.318 0.000 0.759 750 E CB 2.203 32.022 29.700 0.199 0.000 1.182 750 E HN 0.518 nan 8.360 nan 0.000 0.418 751 L N 4.934 126.344 121.223 0.311 0.000 2.596 751 L HA 0.527 4.867 4.340 -0.001 0.000 0.265 751 L C 0.129 177.096 176.870 0.161 0.000 0.962 751 L CA 0.788 55.784 54.840 0.260 0.000 0.891 751 L CB 1.322 43.603 42.059 0.371 0.000 1.248 751 L HN 0.814 nan 8.230 nan 0.000 0.410 752 G N 4.394 113.252 108.800 0.098 0.000 2.611 752 G HA2 -0.412 3.547 3.960 -0.001 0.000 0.301 752 G HA3 -0.412 3.547 3.960 -0.001 0.000 0.301 752 G C 0.501 175.411 174.900 0.017 0.000 1.233 752 G CA 0.557 45.687 45.100 0.051 0.000 0.993 752 G HN 1.315 nan 8.290 nan 0.000 0.553 753 N N 1.504 120.201 118.700 -0.004 0.000 2.322 753 N HA 0.129 4.868 4.740 -0.001 0.000 0.216 753 N C 0.159 175.624 175.510 -0.075 0.000 1.144 753 N CA 0.604 53.632 53.050 -0.036 0.000 0.830 753 N CB 0.191 38.656 38.487 -0.036 0.000 1.034 753 N HN 0.727 nan 8.380 nan 0.000 0.484 754 K N 0.378 120.717 120.400 -0.101 0.000 2.259 754 K HA 0.518 4.837 4.320 -0.001 0.000 0.252 754 K C -0.555 175.846 176.600 -0.331 0.000 0.936 754 K CA -0.592 55.509 56.287 -0.309 0.000 0.810 754 K CB 2.257 34.476 32.500 -0.467 0.000 1.143 754 K HN 0.000 nan 8.250 nan 0.000 0.427 755 R N 1.277 121.523 120.500 -0.422 0.000 2.673 755 R HA 0.428 4.767 4.340 -0.001 0.000 0.281 755 R C -1.260 174.933 176.300 -0.178 0.000 0.991 755 R CA -0.829 55.230 56.100 -0.068 0.000 0.896 755 R CB 1.798 32.212 30.300 0.190 0.000 1.201 755 R HN 0.521 nan 8.270 nan 0.000 0.457 756 W N 2.078 123.506 121.300 0.213 0.000 2.702 756 W HA 0.382 5.041 4.660 -0.002 0.000 0.331 756 W C -0.499 176.110 176.519 0.150 0.000 1.049 756 W CA -0.518 56.867 57.345 0.066 0.000 1.230 756 W CB 2.303 31.813 29.460 0.084 0.000 1.408 756 W HN 0.405 nan 8.180 nan 0.000 0.492 757 Q N 2.572 122.442 119.800 0.116 0.000 2.292 757 Q HA 0.413 4.753 4.340 -0.001 0.000 0.270 757 Q C -1.937 174.000 176.000 -0.106 0.000 1.024 757 Q CA -0.463 55.439 55.803 0.164 0.000 0.768 757 Q CB 1.420 30.309 28.738 0.252 0.000 1.250 757 Q HN 0.321 nan 8.270 nan 0.000 0.447 758 F N 2.740 122.767 119.950 0.128 0.000 2.411 758 F HA 0.320 4.846 4.527 -0.001 0.000 0.352 758 F C 0.564 176.408 175.800 0.072 0.000 1.123 758 F CA -0.905 57.143 58.000 0.080 0.000 1.044 758 F CB 1.226 40.274 39.000 0.080 0.000 1.135 758 F HN 0.485 nan 8.300 nan 0.000 0.461 759 N N 3.805 122.609 118.700 0.173 0.000 2.431 759 N HA 0.050 4.789 4.740 -0.001 0.000 0.265 759 N C 0.991 176.537 175.510 0.059 0.000 1.184 759 N CA 0.116 53.225 53.050 0.098 0.000 0.943 759 N CB 0.625 39.172 38.487 0.100 0.000 1.080 759 N HN 0.680 nan 8.380 nan 0.000 0.477 760 R N 2.460 122.927 120.500 -0.055 0.000 2.237 760 R HA -0.092 4.247 4.340 -0.001 0.000 0.219 760 R C 0.956 177.206 176.300 -0.083 0.000 1.080 760 R CA 0.955 56.971 56.100 -0.140 0.000 0.995 760 R CB 0.262 30.345 30.300 -0.363 0.000 0.875 760 R HN 0.572 nan 8.270 nan 0.000 0.462 761 Q N -0.506 119.270 119.800 -0.040 0.000 2.250 761 Q HA -0.010 4.330 4.340 -0.001 0.000 0.200 761 Q C 2.049 178.048 176.000 -0.001 0.000 0.941 761 Q CA 1.565 57.354 55.803 -0.023 0.000 0.872 761 Q CB 0.438 29.175 28.738 -0.001 0.000 0.965 761 Q HN 0.290 nan 8.270 nan 0.000 0.480 762 S N -2.308 113.417 115.700 0.042 0.000 2.475 762 S HA 0.269 4.738 4.470 -0.001 0.000 0.224 762 S C 1.568 176.136 174.600 -0.055 0.000 1.042 762 S CA 0.442 58.698 58.200 0.093 0.000 0.935 762 S CB 0.426 63.786 63.200 0.267 0.000 0.801 762 S HN 0.403 nan 8.310 nan 0.000 0.509 763 G N 0.539 109.313 108.800 -0.044 0.000 2.143 763 G HA2 -0.207 3.752 3.960 -0.001 0.000 0.249 763 G HA3 -0.207 3.752 3.960 -0.001 0.000 0.249 763 G C -0.110 174.743 174.900 -0.079 0.000 0.981 763 G CA 0.231 45.284 45.100 -0.078 0.000 0.665 763 G HN 0.527 nan 8.290 nan 0.000 0.528 764 F N -1.070 119.052 119.950 0.285 0.000 2.556 764 F HA 0.688 5.214 4.527 -0.001 0.000 0.327 764 F C 0.484 176.296 175.800 0.019 0.000 1.059 764 F CA -1.460 56.658 58.000 0.198 0.000 0.953 764 F CB 1.417 40.492 39.000 0.125 0.000 1.227 764 F HN 0.017 nan 8.300 nan 0.000 0.478 765 L N 1.972 123.209 121.223 0.025 0.000 2.456 765 L HA 0.183 4.523 4.340 -0.001 0.000 0.277 765 L C 0.922 177.658 176.870 -0.223 0.000 1.124 765 L CA 0.411 54.929 54.840 -0.537 0.000 0.880 765 L CB 0.319 41.994 42.059 -0.640 0.000 1.192 765 L HN 0.692 nan 8.230 nan 0.000 0.463 766 S N 2.493 118.069 115.700 -0.207 0.000 2.517 766 S HA 0.286 4.756 4.470 -0.001 0.000 0.214 766 S C 0.536 174.981 174.600 -0.259 0.000 0.991 766 S CA -0.113 58.005 58.200 -0.137 0.000 0.906 766 S CB 0.060 63.236 63.200 -0.039 0.000 0.789 766 S HN 0.697 nan 8.310 nan 0.000 0.513 767 Q N -0.204 119.352 119.800 -0.407 0.000 2.594 767 Q HA 0.616 4.956 4.340 -0.001 0.000 0.278 767 Q C -2.069 173.439 176.000 -0.819 0.000 0.961 767 Q CA -0.202 55.202 55.803 -0.665 0.000 0.844 767 Q CB 1.555 29.769 28.738 -0.873 0.000 1.475 767 Q HN 0.406 nan 8.270 nan 0.000 0.389 768 M N 1.910 120.948 119.600 -0.938 0.000 2.378 768 M HA 0.553 5.032 4.480 -0.001 0.000 0.289 768 M C -1.548 174.281 176.300 -0.785 0.000 1.136 768 M CA -0.439 54.384 55.300 -0.796 0.000 0.917 768 M CB 1.992 34.187 32.600 -0.676 0.000 1.669 768 M HN 0.504 nan 8.290 nan 0.000 0.461 769 W N 4.277 125.347 121.300 -0.383 0.000 2.702 769 W HA 0.615 5.274 4.660 -0.001 0.000 0.331 769 W C -1.168 175.162 176.519 -0.315 0.000 1.049 769 W CA -0.622 56.557 57.345 -0.277 0.000 1.230 769 W CB 1.553 30.887 29.460 -0.211 0.000 1.408 769 W HN 0.490 nan 8.180 nan 0.000 0.492 770 I N 2.390 122.957 120.570 -0.005 0.000 2.411 770 I HA 0.254 4.423 4.170 -0.001 0.000 0.284 770 I C 0.918 177.022 176.117 -0.021 0.000 1.012 770 I CA -0.488 60.770 61.300 -0.070 0.000 1.119 770 I CB 1.380 39.321 38.000 -0.098 0.000 1.261 770 I HN 0.736 nan 8.210 nan 0.000 0.448 771 G N 4.465 113.246 108.800 -0.032 0.000 2.323 771 G HA2 -0.269 3.690 3.960 -0.001 0.000 0.292 771 G HA3 -0.269 3.690 3.960 -0.001 0.000 0.292 771 G C 0.299 175.193 174.900 -0.010 0.000 1.040 771 G CA 0.375 45.458 45.100 -0.029 0.000 0.942 771 G HN 0.881 nan 8.290 nan 0.000 0.506 772 D N -1.905 118.499 120.400 0.006 0.000 2.945 772 D HA -0.141 4.499 4.640 -0.001 0.000 0.225 772 D C 0.381 176.781 176.300 0.166 0.000 1.158 772 D CA 1.731 55.728 54.000 -0.004 0.000 0.805 772 D CB -0.366 40.377 40.800 -0.094 0.000 1.098 772 D HN 0.577 nan 8.370 nan 0.000 0.426 773 K N 1.152 121.683 120.400 0.218 0.000 2.323 773 K HA 0.259 4.578 4.320 -0.001 0.000 0.259 773 K C 0.521 177.197 176.600 0.127 0.000 0.947 773 K CA -0.658 55.727 56.287 0.163 0.000 0.819 773 K CB 1.948 34.474 32.500 0.044 0.000 1.109 773 K HN 0.181 nan 8.250 nan 0.000 0.429 774 K N 2.165 122.599 120.400 0.056 0.000 2.489 774 K HA -0.003 4.316 4.320 -0.001 0.000 0.278 774 K C 0.290 176.779 176.600 -0.186 0.000 1.000 774 K CA 0.286 56.437 56.287 -0.226 0.000 1.012 774 K CB 0.704 33.116 32.500 -0.146 0.000 0.903 774 K HN 0.289 nan 8.250 nan 0.000 0.485 775 Q N 1.888 121.524 119.800 -0.272 0.000 2.378 775 Q HA 0.241 4.580 4.340 -0.001 0.000 0.229 775 Q C 0.166 176.108 176.000 -0.097 0.000 0.882 775 Q CA 0.524 56.269 55.803 -0.098 0.000 0.936 775 Q CB 0.398 29.106 28.738 -0.050 0.000 1.092 775 Q HN 0.646 nan 8.270 nan 0.000 0.535 776 L N 0.530 121.622 121.223 -0.218 0.000 2.342 776 L HA 0.398 4.737 4.340 -0.001 0.000 0.271 776 L C 0.940 177.690 176.870 -0.200 0.000 1.008 776 L CA -0.364 54.358 54.840 -0.196 0.000 0.818 776 L CB 1.673 43.596 42.059 -0.227 0.000 1.296 776 L HN -0.080 nan 8.230 nan 0.000 0.427 777 L N 0.322 121.419 121.223 -0.210 0.000 2.537 777 L HA 0.247 4.587 4.340 -0.001 0.000 0.224 777 L C 0.065 176.821 176.870 -0.190 0.000 1.065 777 L CA 0.656 55.382 54.840 -0.191 0.000 0.860 777 L CB 0.772 42.701 42.059 -0.217 0.000 1.086 777 L HN 0.623 nan 8.230 nan 0.000 0.482 778 T N 0.060 114.466 114.554 -0.247 0.000 2.916 778 T HA 0.383 4.733 4.350 -0.001 0.000 0.298 778 T C -2.550 172.059 174.700 -0.152 0.000 1.031 778 T CA -1.099 60.891 62.100 -0.184 0.000 0.993 778 T CB 2.525 71.246 68.868 -0.244 0.000 1.045 778 T HN -0.271 nan 8.240 nan 0.000 0.454 779 P HA 0.127 nan 4.420 nan 0.000 0.269 779 P C -0.720 176.533 177.300 -0.078 0.000 1.211 779 P CA -0.677 62.380 63.100 -0.073 0.000 0.781 779 P CB 0.433 32.127 31.700 -0.011 0.000 0.877 780 L N 3.287 124.495 121.223 -0.026 0.000 2.283 780 L HA 0.278 4.618 4.340 -0.001 0.000 0.287 780 L C 0.042 176.860 176.870 -0.086 0.000 1.073 780 L CA 0.516 55.373 54.840 0.029 0.000 0.822 780 L CB -0.650 41.524 42.059 0.191 0.000 1.186 780 L HN 0.283 nan 8.230 nan 0.000 0.436 781 R N 2.695 123.046 120.500 -0.249 0.000 2.854 781 R HA 0.490 4.829 4.340 -0.001 0.000 0.271 781 R C -0.938 175.197 176.300 -0.274 0.000 0.994 781 R CA -1.010 54.747 56.100 -0.572 0.000 0.945 781 R CB 1.220 31.032 30.300 -0.814 0.000 1.194 781 R HN 0.522 nan 8.270 nan 0.000 0.476 782 D N 1.114 121.407 120.400 -0.179 0.000 2.382 782 D HA 0.056 4.695 4.640 -0.001 0.000 0.240 782 D C -0.484 175.427 176.300 -0.647 0.000 1.146 782 D CA 0.403 54.165 54.000 -0.397 0.000 0.897 782 D CB 0.680 41.178 40.800 -0.502 0.000 1.197 782 D HN 0.194 nan 8.370 nan 0.000 0.432 783 Q N 1.064 120.297 119.800 -0.946 0.000 2.305 783 Q HA 0.341 4.680 4.340 -0.001 0.000 0.271 783 Q C -1.261 174.037 176.000 -1.169 0.000 1.046 783 Q CA -0.594 54.717 55.803 -0.820 0.000 0.798 783 Q CB 0.879 29.333 28.738 -0.473 0.000 1.286 783 Q HN 0.535 nan 8.270 nan 0.000 0.435 784 F N 0.585 120.107 119.950 -0.714 0.000 2.729 784 F HA 0.203 4.729 4.527 -0.001 0.000 0.315 784 F C 0.502 175.833 175.800 -0.782 0.000 1.102 784 F CA -0.190 57.292 58.000 -0.863 0.000 1.204 784 F CB 1.468 39.626 39.000 -1.405 0.000 1.052 784 F HN 0.404 nan 8.300 nan 0.000 0.551 785 T N -0.835 113.383 114.554 -0.560 0.000 2.907 785 T HA 0.809 5.159 4.350 -0.001 0.000 0.290 785 T C -0.606 173.803 174.700 -0.485 0.000 1.066 785 T CA -0.982 60.708 62.100 -0.684 0.000 1.012 785 T CB 2.853 71.211 68.868 -0.850 0.000 1.184 785 T HN 0.262 nan 8.240 nan 0.000 0.522 786 R N -0.156 120.094 120.500 -0.417 0.000 2.740 786 R HA 0.758 5.098 4.340 -0.001 0.000 0.273 786 R C -0.890 175.424 176.300 0.022 0.000 0.998 786 R CA -1.213 54.783 56.100 -0.173 0.000 0.900 786 R CB 1.505 31.711 30.300 -0.156 0.000 1.223 786 R HN 0.848 nan 8.270 nan 0.000 0.466 787 A N 3.882 126.719 122.820 0.029 0.000 2.515 787 A HA 0.259 4.578 4.320 -0.001 0.000 0.263 787 A C -1.878 175.759 177.584 0.089 0.000 1.096 787 A CA -1.234 50.836 52.037 0.055 0.000 0.769 787 A CB -0.448 18.527 19.000 -0.041 0.000 1.040 787 A HN 0.600 nan 8.150 nan 0.000 0.505 788 P HA 0.012 nan 4.420 nan 0.000 0.261 788 P C -0.307 177.096 177.300 0.170 0.000 1.173 788 P CA 0.615 63.868 63.100 0.255 0.000 0.760 788 P CB 0.361 32.246 31.700 0.309 0.000 0.783 789 L N 2.820 124.118 121.223 0.125 0.000 2.468 789 L HA 0.148 4.488 4.340 -0.001 0.000 0.254 789 L C 1.765 178.682 176.870 0.078 0.000 1.171 789 L CA -0.460 54.394 54.840 0.023 0.000 0.809 789 L CB -0.139 41.862 42.059 -0.097 0.000 1.155 789 L HN 0.222 nan 8.230 nan 0.000 0.473 790 D N -0.103 120.301 120.400 0.007 0.000 2.149 790 D HA -0.167 4.472 4.640 -0.001 0.000 0.198 790 D C 1.661 177.925 176.300 -0.059 0.000 0.990 790 D CA 1.281 55.241 54.000 -0.065 0.000 0.839 790 D CB -0.082 40.604 40.800 -0.190 0.000 0.948 790 D HN 0.428 nan 8.370 nan 0.000 0.460 791 N N 0.610 119.273 118.700 -0.061 0.000 2.244 791 N HA -0.102 4.638 4.740 -0.001 0.000 0.183 791 N C 1.009 176.541 175.510 0.037 0.000 1.016 791 N CA 0.771 53.799 53.050 -0.036 0.000 0.866 791 N CB -0.111 38.340 38.487 -0.059 0.000 0.980 791 N HN 0.244 nan 8.380 nan 0.000 0.430 792 D N 0.625 121.070 120.400 0.074 0.000 2.183 792 D HA 0.013 4.653 4.640 -0.001 0.000 0.203 792 D C 2.060 178.423 176.300 0.106 0.000 0.969 792 D CA 0.429 54.508 54.000 0.130 0.000 0.842 792 D CB 0.071 41.035 40.800 0.273 0.000 0.957 792 D HN 0.310 nan 8.370 nan 0.000 0.484 793 I N 0.376 121.005 120.570 0.099 0.000 2.277 793 I HA 0.010 4.180 4.170 -0.001 0.000 0.243 793 I C 1.825 177.983 176.117 0.069 0.000 1.094 793 I CA 0.819 62.167 61.300 0.081 0.000 1.393 793 I CB -0.459 37.583 38.000 0.070 0.000 1.078 793 I HN 0.090 nan 8.210 nan 0.000 0.417 794 G N 1.052 109.906 108.800 0.090 0.000 2.527 794 G HA2 -0.323 3.637 3.960 -0.001 0.000 0.268 794 G HA3 -0.323 3.637 3.960 -0.001 0.000 0.268 794 G C 0.555 175.616 174.900 0.269 0.000 1.175 794 G CA 0.573 45.771 45.100 0.164 0.000 0.962 794 G HN 0.554 nan 8.290 nan 0.000 0.560 795 V N -1.803 118.209 119.914 0.163 0.000 3.596 795 V HA 0.618 4.738 4.120 -0.001 0.000 0.289 795 V C 1.259 177.331 176.094 -0.037 0.000 1.336 795 V CA 1.235 63.535 62.300 -0.000 0.000 1.137 795 V CB 0.082 31.821 31.823 -0.139 0.000 0.966 795 V HN 1.468 nan 8.190 nan 0.000 0.428 796 S N 2.228 117.931 115.700 0.006 0.000 2.562 796 S HA 0.347 4.817 4.470 -0.001 0.000 0.281 796 S C -0.003 174.589 174.600 -0.013 0.000 1.333 796 S CA 0.044 58.236 58.200 -0.014 0.000 1.052 796 S CB 0.079 63.276 63.200 -0.005 0.000 0.884 796 S HN 0.969 nan 8.310 nan 0.000 0.506 797 E N 2.440 122.627 120.200 -0.022 0.000 2.412 797 E HA 0.615 4.964 4.350 -0.001 0.000 0.279 797 E C 0.533 177.129 176.600 -0.008 0.000 0.984 797 E CA -0.746 55.646 56.400 -0.013 0.000 0.788 797 E CB 0.742 30.425 29.700 -0.029 0.000 1.277 797 E HN 0.454 nan 8.360 nan 0.000 0.455 798 A N 1.633 124.456 122.820 0.006 0.000 1.896 798 A HA -0.289 4.030 4.320 -0.001 0.000 0.220 798 A C 2.184 179.768 177.584 -0.000 0.000 1.206 798 A CA 3.109 55.151 52.037 0.008 0.000 0.647 798 A CB -1.347 17.665 19.000 0.020 0.000 0.828 798 A HN 0.741 nan 8.150 nan 0.000 0.455 799 T N -2.387 112.164 114.554 -0.005 0.000 2.904 799 T HA -0.013 4.337 4.350 -0.001 0.000 0.267 799 T C 1.010 175.696 174.700 -0.024 0.000 1.059 799 T CA 1.136 63.229 62.100 -0.012 0.000 1.137 799 T CB -0.123 68.736 68.868 -0.014 0.000 0.879 799 T HN 0.409 nan 8.240 nan 0.000 0.467 800 R N 0.975 121.455 120.500 -0.032 0.000 2.513 800 R HA 0.452 4.792 4.340 -0.001 0.000 0.283 800 R C -1.121 175.155 176.300 -0.041 0.000 1.535 800 R CA -0.415 55.658 56.100 -0.044 0.000 1.315 800 R CB 0.444 30.705 30.300 -0.065 0.000 1.163 800 R HN 0.358 nan 8.270 nan 0.000 0.573 801 I N 1.964 122.515 120.570 -0.032 0.000 2.496 801 I HA 0.035 4.204 4.170 -0.001 0.000 0.285 801 I C 0.148 176.241 176.117 -0.040 0.000 1.080 801 I CA 0.110 61.392 61.300 -0.030 0.000 1.404 801 I CB 0.875 38.861 38.000 -0.022 0.000 1.403 801 I HN 0.407 nan 8.210 nan 0.000 0.539 802 D N 9.284 129.658 120.400 -0.043 0.000 2.454 802 D HA 0.226 4.865 4.640 -0.001 0.000 0.225 802 D C -1.496 174.761 176.300 -0.071 0.000 1.081 802 D CA -2.461 51.507 54.000 -0.054 0.000 0.864 802 D CB 1.385 42.156 40.800 -0.048 0.000 1.040 802 D HN 0.200 nan 8.370 nan 0.000 0.517 803 P HA -0.162 nan 4.420 nan 0.000 0.221 803 P C 0.939 178.150 177.300 -0.149 0.000 1.145 803 P CA 0.806 63.848 63.100 -0.095 0.000 0.795 803 P CB 0.368 32.020 31.700 -0.079 0.000 0.775 804 N N -0.083 118.524 118.700 -0.154 0.000 2.300 804 N HA -0.015 4.724 4.740 -0.001 0.000 0.179 804 N C 0.593 175.923 175.510 -0.301 0.000 1.016 804 N CA -0.010 52.907 53.050 -0.222 0.000 0.876 804 N CB -0.085 38.301 38.487 -0.168 0.000 0.979 804 N HN -0.015 nan 8.380 nan 0.000 0.432 805 A N 0.467 123.162 122.820 -0.209 0.000 2.531 805 A HA -0.078 4.241 4.320 -0.001 0.000 0.236 805 A C 0.539 177.944 177.584 -0.298 0.000 1.062 805 A CA -0.185 51.736 52.037 -0.193 0.000 0.760 805 A CB -0.242 18.711 19.000 -0.079 0.000 0.995 805 A HN 0.506 nan 8.150 nan 0.000 0.501 806 W N 1.810 122.867 121.300 -0.405 0.000 2.318 806 W HA -0.196 4.464 4.660 -0.001 0.000 0.313 806 W C 2.235 178.159 176.519 -0.992 0.000 1.221 806 W CA 1.774 58.616 57.345 -0.839 0.000 1.266 806 W CB -0.333 28.522 29.460 -1.009 0.000 1.150 806 W HN 0.575 nan 8.180 nan 0.000 0.496 807 V N 0.783 120.566 119.914 -0.218 0.000 2.407 807 V HA -0.259 3.860 4.120 -0.001 0.000 0.248 807 V C 2.123 178.289 176.094 0.121 0.000 1.055 807 V CA 2.094 64.489 62.300 0.159 0.000 1.049 807 V CB -0.345 31.613 31.823 0.224 0.000 0.662 807 V HN 0.075 nan 8.190 nan 0.000 0.455 808 E N -0.137 120.050 120.200 -0.022 0.000 2.152 808 E HA -0.142 4.207 4.350 -0.001 0.000 0.192 808 E C 2.346 178.915 176.600 -0.051 0.000 0.983 808 E CA 0.906 57.292 56.400 -0.023 0.000 0.818 808 E CB -0.279 29.385 29.700 -0.060 0.000 0.758 808 E HN 0.603 nan 8.360 nan 0.000 0.467 809 R N -0.381 120.018 120.500 -0.168 0.000 2.090 809 R HA -0.079 4.261 4.340 -0.001 0.000 0.228 809 R C 2.187 178.431 176.300 -0.092 0.000 1.110 809 R CA 0.956 56.931 56.100 -0.208 0.000 0.973 809 R CB -0.069 29.988 30.300 -0.405 0.000 0.869 809 R HN 0.240 nan 8.270 nan 0.000 0.440 810 W N 1.397 122.706 121.300 0.014 0.000 2.409 810 W HA -0.020 4.640 4.660 -0.001 0.000 0.299 810 W C 1.865 178.404 176.519 0.033 0.000 1.203 810 W CA 0.589 57.883 57.345 -0.084 0.000 1.298 810 W CB -0.536 29.046 29.460 0.202 0.000 1.127 810 W HN 0.074 nan 8.180 nan 0.000 0.528 811 K N 0.399 121.030 120.400 0.385 0.000 1.985 811 K HA -0.092 4.227 4.320 -0.001 0.000 0.210 811 K C 2.294 178.952 176.600 0.097 0.000 1.047 811 K CA 1.856 58.297 56.287 0.257 0.000 0.932 811 K CB -0.730 31.851 32.500 0.135 0.000 0.716 811 K HN -0.054 nan 8.250 nan 0.000 0.439 812 A N 1.239 124.090 122.820 0.052 0.000 2.032 812 A HA -0.156 4.164 4.320 -0.001 0.000 0.221 812 A C 2.206 179.798 177.584 0.013 0.000 1.165 812 A CA 1.965 54.020 52.037 0.029 0.000 0.645 812 A CB -0.636 18.365 19.000 0.002 0.000 0.807 812 A HN 0.380 nan 8.150 nan 0.000 0.453 813 A N -2.116 120.678 122.820 -0.044 0.000 2.169 813 A HA 0.406 4.725 4.320 -0.001 0.000 0.212 813 A C 1.855 179.358 177.584 -0.134 0.000 1.153 813 A CA 1.227 53.231 52.037 -0.055 0.000 0.756 813 A CB -0.773 18.113 19.000 -0.191 0.000 0.813 813 A HN 1.905 nan 8.150 nan 0.000 0.471 814 G N -1.494 107.126 108.800 -0.300 0.000 2.136 814 G HA2 -0.302 3.657 3.960 -0.001 0.000 0.242 814 G HA3 -0.302 3.657 3.960 -0.001 0.000 0.242 814 G C 0.570 175.456 174.900 -0.023 0.000 0.989 814 G CA 0.675 45.377 45.100 -0.663 0.000 0.682 814 G HN 0.741 nan 8.290 nan 0.000 0.522 815 H N -1.562 117.516 119.070 0.014 0.000 2.387 815 H HA -0.084 4.471 4.556 -0.001 0.000 0.299 815 H C 2.175 177.493 175.328 -0.016 0.000 1.099 815 H CA 1.622 57.698 56.048 0.047 0.000 1.315 815 H CB 0.102 29.866 29.762 0.004 0.000 1.380 815 H HN 0.609 nan 8.280 nan 0.000 0.513 816 Y N 0.304 120.720 120.300 0.194 0.000 2.519 816 Y HA -0.084 4.466 4.550 -0.001 0.000 0.287 816 Y C 2.206 178.182 175.900 0.127 0.000 1.128 816 Y CA 0.285 58.461 58.100 0.127 0.000 1.282 816 Y CB 0.417 38.940 38.460 0.104 0.000 1.027 816 Y HN 0.173 nan 8.280 nan 0.000 0.551 817 Q N 0.110 120.063 119.800 0.256 0.000 2.349 817 Q HA 0.254 4.593 4.340 -0.001 0.000 0.209 817 Q C 1.081 177.246 176.000 0.274 0.000 0.920 817 Q CA 0.497 56.439 55.803 0.232 0.000 0.901 817 Q CB -0.500 28.364 28.738 0.210 0.000 1.021 817 Q HN 0.264 nan 8.270 nan 0.000 0.519 818 A N 2.476 125.470 122.820 0.290 0.000 2.591 818 A HA -0.058 4.261 4.320 -0.001 0.000 0.244 818 A C -0.158 177.708 177.584 0.470 0.000 1.031 818 A CA 0.596 52.864 52.037 0.384 0.000 0.767 818 A CB -0.149 19.098 19.000 0.412 0.000 0.942 818 A HN 0.162 nan 8.150 nan 0.000 0.514 819 E N 1.135 121.542 120.200 0.345 0.000 2.191 819 E HA 0.523 4.872 4.350 -0.001 0.000 0.274 819 E C 0.040 176.629 176.600 -0.019 0.000 0.948 819 E CA -0.581 55.964 56.400 0.241 0.000 0.802 819 E CB 1.729 31.525 29.700 0.159 0.000 1.137 819 E HN 0.823 nan 8.360 nan 0.000 0.397 820 A N 1.890 124.591 122.820 -0.198 0.000 2.450 820 A HA 0.493 4.812 4.320 -0.001 0.000 0.255 820 A C -0.279 177.153 177.584 -0.253 0.000 1.096 820 A CA -0.141 51.473 52.037 -0.706 0.000 0.778 820 A CB 0.239 19.027 19.000 -0.354 0.000 1.031 820 A HN 0.569 nan 8.150 nan 0.000 0.494 821 A N 2.899 125.549 122.820 -0.283 0.000 2.304 821 A HA 0.573 4.893 4.320 -0.001 0.000 0.314 821 A C -0.418 177.057 177.584 -0.181 0.000 1.187 821 A CA -0.572 51.382 52.037 -0.138 0.000 0.810 821 A CB 0.478 19.422 19.000 -0.093 0.000 1.183 821 A HN 1.212 nan 8.150 nan 0.000 0.487 822 L N 2.980 124.081 121.223 -0.202 0.000 2.410 822 L HA 0.300 4.640 4.340 -0.001 0.000 0.273 822 L C 0.418 177.129 176.870 -0.264 0.000 1.152 822 L CA 0.455 55.061 54.840 -0.390 0.000 0.855 822 L CB 0.286 42.156 42.059 -0.314 0.000 1.129 822 L HN 0.776 nan 8.230 nan 0.000 0.463 823 L N 3.144 124.194 121.223 -0.290 0.000 2.609 823 L HA 0.347 4.686 4.340 -0.001 0.000 0.230 823 L C 0.345 177.141 176.870 -0.123 0.000 1.064 823 L CA -0.003 54.748 54.840 -0.149 0.000 0.873 823 L CB 0.186 42.191 42.059 -0.091 0.000 1.139 823 L HN 0.725 nan 8.230 nan 0.000 0.490 824 Q N -0.386 119.317 119.800 -0.163 0.000 2.479 824 Q HA 0.339 4.679 4.340 -0.001 0.000 0.276 824 Q C -2.028 173.918 176.000 -0.090 0.000 0.989 824 Q CA -0.516 55.232 55.803 -0.091 0.000 0.864 824 Q CB 3.138 31.849 28.738 -0.044 0.000 1.444 824 Q HN 0.046 nan 8.270 nan 0.000 0.388 825 C N 3.032 122.324 119.300 -0.014 0.000 3.140 825 C HA 0.591 5.050 4.460 -0.001 0.000 0.374 825 C C -0.874 174.224 174.990 0.180 0.000 1.055 825 C CA 0.464 59.520 59.018 0.062 0.000 1.315 825 C CB 0.141 27.915 27.740 0.056 0.000 1.732 825 C HN 0.819 nan 8.230 nan 0.000 0.532 826 T N 2.069 116.663 114.554 0.066 0.000 2.930 826 T HA 0.919 5.268 4.350 -0.001 0.000 0.290 826 T C -0.341 174.144 174.700 -0.359 0.000 1.052 826 T CA -0.159 61.928 62.100 -0.022 0.000 1.017 826 T CB 2.023 70.864 68.868 -0.044 0.000 1.137 826 T HN 1.771 nan 8.240 nan 0.000 0.511 827 A N 1.466 123.917 122.820 -0.615 0.000 2.393 827 A HA 0.734 5.053 4.320 -0.001 0.000 0.306 827 A C -1.234 176.096 177.584 -0.422 0.000 1.050 827 A CA -0.777 50.794 52.037 -0.777 0.000 0.724 827 A CB 1.259 19.338 19.000 -1.536 0.000 1.248 827 A HN 0.875 nan 8.150 nan 0.000 0.424 828 D N 1.083 121.295 120.400 -0.313 0.000 2.738 828 D HA 0.473 5.112 4.640 -0.001 0.000 0.237 828 D C -0.974 175.219 176.300 -0.178 0.000 1.123 828 D CA -0.036 53.845 54.000 -0.199 0.000 0.856 828 D CB 2.343 43.058 40.800 -0.143 0.000 1.552 828 D HN 0.391 nan 8.370 nan 0.000 0.480 829 T N 1.911 116.383 114.554 -0.136 0.000 2.749 829 T HA 0.447 4.796 4.350 -0.001 0.000 0.287 829 T C 0.630 175.282 174.700 -0.080 0.000 0.970 829 T CA -0.438 61.595 62.100 -0.112 0.000 0.980 829 T CB 0.800 69.609 68.868 -0.099 0.000 0.924 829 T HN 0.089 nan 8.240 nan 0.000 0.456 830 L N 1.560 122.740 121.223 -0.072 0.000 2.492 830 L HA 0.579 4.919 4.340 -0.001 0.000 0.263 830 L C 2.074 178.922 176.870 -0.037 0.000 1.062 830 L CA -1.131 53.678 54.840 -0.053 0.000 0.817 830 L CB 0.171 42.198 42.059 -0.054 0.000 1.441 830 L HN 0.688 nan 8.230 nan 0.000 0.493 831 A N 0.613 123.416 122.820 -0.029 0.000 1.873 831 A HA -0.185 4.135 4.320 -0.001 0.000 0.218 831 A C 1.021 178.595 177.584 -0.017 0.000 1.193 831 A CA 2.235 54.260 52.037 -0.020 0.000 0.629 831 A CB -0.480 18.509 19.000 -0.018 0.000 0.826 831 A HN 0.897 nan 8.150 nan 0.000 0.447 832 D N -2.413 117.975 120.400 -0.021 0.000 2.895 832 D HA 0.566 5.206 4.640 -0.001 0.000 0.350 832 D C -0.270 176.016 176.300 -0.024 0.000 1.389 832 D CA 0.604 54.595 54.000 -0.016 0.000 0.812 832 D CB -0.145 40.645 40.800 -0.016 0.000 1.164 832 D HN 0.622 nan 8.370 nan 0.000 0.455 833 A N -0.746 122.051 122.820 -0.038 0.000 2.522 833 A HA 0.554 4.874 4.320 -0.001 0.000 0.291 833 A C -1.926 175.606 177.584 -0.086 0.000 1.039 833 A CA -0.690 51.309 52.037 -0.063 0.000 0.643 833 A CB 1.265 20.226 19.000 -0.066 0.000 1.310 833 A HN 0.055 nan 8.150 nan 0.000 0.436 834 V N 0.557 120.398 119.914 -0.122 0.000 2.555 834 V HA 0.674 4.794 4.120 -0.001 0.000 0.302 834 V C -0.962 175.024 176.094 -0.180 0.000 1.038 834 V CA -0.473 61.733 62.300 -0.156 0.000 0.887 834 V CB 1.487 33.209 31.823 -0.168 0.000 0.991 834 V HN 0.946 nan 8.190 nan 0.000 0.434 835 L N 6.270 127.377 121.223 -0.193 0.000 2.319 835 L HA 0.633 4.972 4.340 -0.001 0.000 0.281 835 L C -0.817 175.899 176.870 -0.257 0.000 1.005 835 L CA 0.027 54.760 54.840 -0.179 0.000 0.828 835 L CB 1.180 43.165 42.059 -0.123 0.000 1.227 835 L HN 0.411 nan 8.230 nan 0.000 0.415 836 I N 4.210 124.614 120.570 -0.276 0.000 2.354 836 I HA 0.416 4.585 4.170 -0.001 0.000 0.292 836 I C -0.078 175.979 176.117 -0.100 0.000 0.989 836 I CA -0.220 60.856 61.300 -0.374 0.000 1.188 836 I CB 1.546 39.032 38.000 -0.856 0.000 1.342 836 I HN 0.563 nan 8.210 nan 0.000 0.457 837 T N 4.721 119.224 114.554 -0.084 0.000 2.807 837 T HA 0.623 4.973 4.350 -0.001 0.000 0.279 837 T C 0.181 174.914 174.700 0.056 0.000 0.993 837 T CA -0.565 61.545 62.100 0.016 0.000 0.970 837 T CB 1.826 70.684 68.868 -0.016 0.000 0.950 837 T HN 0.775 nan 8.240 nan 0.000 0.441 838 T N -0.546 114.088 114.554 0.132 0.000 2.906 838 T HA 0.879 5.229 4.350 -0.001 0.000 0.295 838 T C -1.201 173.570 174.700 0.118 0.000 1.075 838 T CA -1.064 61.109 62.100 0.122 0.000 1.005 838 T CB 2.033 71.060 68.868 0.265 0.000 1.136 838 T HN 0.814 nan 8.240 nan 0.000 0.498 839 A N 1.459 124.277 122.820 -0.004 0.000 2.459 839 A HA 0.766 5.086 4.320 -0.001 0.000 0.296 839 A C -1.467 176.024 177.584 -0.156 0.000 1.039 839 A CA -0.762 51.300 52.037 0.041 0.000 0.698 839 A CB 0.934 19.943 19.000 0.015 0.000 1.261 839 A HN 1.008 nan 8.150 nan 0.000 0.405 840 H N -0.042 119.064 119.070 0.060 0.000 2.865 840 H HA 0.827 5.382 4.556 -0.001 0.000 0.372 840 H C -0.192 175.135 175.328 -0.001 0.000 1.173 840 H CA 0.235 56.229 56.048 -0.091 0.000 1.147 840 H CB 2.201 31.791 29.762 -0.287 0.000 1.805 840 H HN 1.045 nan 8.280 nan 0.000 0.553 841 A N 1.524 124.327 122.820 -0.027 0.000 2.375 841 A HA 0.357 4.676 4.320 -0.001 0.000 0.295 841 A C -1.519 176.062 177.584 -0.004 0.000 1.066 841 A CA -0.698 51.398 52.037 0.098 0.000 0.722 841 A CB 1.051 20.087 19.000 0.061 0.000 1.206 841 A HN 0.545 nan 8.150 nan 0.000 0.435 842 W N 2.565 123.973 121.300 0.179 0.000 2.316 842 W HA 0.398 5.058 4.660 -0.001 0.000 0.308 842 W C -0.196 176.346 176.519 0.037 0.000 1.106 842 W CA -0.051 57.394 57.345 0.166 0.000 1.262 842 W CB 1.391 31.016 29.460 0.276 0.000 1.233 842 W HN 0.739 nan 8.180 nan 0.000 0.447 843 Q N 1.265 121.187 119.800 0.203 0.000 2.416 843 Q HA 0.378 4.717 4.340 -0.001 0.000 0.279 843 Q C -1.231 174.898 176.000 0.215 0.000 1.101 843 Q CA -1.012 54.875 55.803 0.141 0.000 0.830 843 Q CB 3.137 31.923 28.738 0.080 0.000 1.402 843 Q HN 0.351 nan 8.270 nan 0.000 0.445 844 H N 0.684 119.789 119.070 0.060 0.000 3.181 844 H HA 0.140 4.695 4.556 -0.001 0.000 0.331 844 H C -1.296 174.063 175.328 0.052 0.000 0.988 844 H CA -0.164 55.929 56.048 0.075 0.000 1.449 844 H CB 0.604 30.421 29.762 0.092 0.000 1.749 844 H HN 0.668 nan 8.280 nan 0.000 0.501 845 Q N 3.880 123.501 119.800 -0.299 0.000 2.439 845 Q HA -0.250 4.089 4.340 -0.001 0.000 0.325 845 Q C 1.003 176.948 176.000 -0.092 0.000 1.372 845 Q CA 1.136 56.798 55.803 -0.235 0.000 0.909 845 Q CB -1.476 27.044 28.738 -0.363 0.000 1.167 845 Q HN 1.278 nan 8.270 nan 0.000 0.418 846 G N -0.613 108.163 108.800 -0.040 0.000 2.225 846 G HA2 -0.371 3.588 3.960 -0.001 0.000 0.254 846 G HA3 -0.371 3.588 3.960 -0.001 0.000 0.254 846 G C 0.092 174.996 174.900 0.006 0.000 0.988 846 G CA 0.525 45.618 45.100 -0.012 0.000 0.625 846 G HN 0.359 nan 8.290 nan 0.000 0.527 847 K N 1.736 122.148 120.400 0.019 0.000 2.201 847 K HA 0.630 4.949 4.320 -0.001 0.000 0.278 847 K C -0.006 176.609 176.600 0.025 0.000 1.027 847 K CA -0.079 56.225 56.287 0.029 0.000 0.909 847 K CB 0.839 33.369 32.500 0.050 0.000 1.062 847 K HN -0.004 nan 8.250 nan 0.000 0.465 848 T N 6.657 121.214 114.554 0.006 0.000 2.794 848 T HA 0.205 4.554 4.350 -0.001 0.000 0.304 848 T C 1.230 175.874 174.700 -0.093 0.000 0.973 848 T CA -0.368 61.730 62.100 -0.003 0.000 0.972 848 T CB 0.070 68.952 68.868 0.023 0.000 0.952 848 T HN 0.520 nan 8.240 nan 0.000 0.509 849 L N 2.409 123.492 121.223 -0.234 0.000 2.023 849 L HA 0.180 4.519 4.340 -0.001 0.000 0.205 849 L C 0.128 176.464 176.870 -0.889 0.000 1.073 849 L CA 1.325 55.743 54.840 -0.703 0.000 0.745 849 L CB -0.150 41.202 42.059 -1.179 0.000 0.900 849 L HN 0.499 nan 8.230 nan 0.000 0.435 850 F N -1.659 118.251 119.950 -0.066 0.000 2.629 850 F HA 0.616 5.142 4.527 -0.001 0.000 0.316 850 F C -0.418 175.487 175.800 0.174 0.000 1.081 850 F CA -0.869 57.055 58.000 -0.127 0.000 0.954 850 F CB 1.818 40.363 39.000 -0.758 0.000 1.337 850 F HN -0.330 nan 8.300 nan 0.000 0.474 851 I N 1.288 122.102 120.570 0.407 0.000 2.534 851 I HA 0.339 4.508 4.170 -0.001 0.000 0.288 851 I C -1.009 175.388 176.117 0.467 0.000 1.077 851 I CA -0.510 61.040 61.300 0.417 0.000 1.051 851 I CB 2.235 40.387 38.000 0.253 0.000 1.234 851 I HN 0.572 nan 8.210 nan 0.000 0.425 852 S N 6.951 123.014 115.700 0.606 0.000 2.498 852 S HA 0.570 5.039 4.470 -0.001 0.000 0.317 852 S C -0.682 174.158 174.600 0.399 0.000 1.090 852 S CA -0.673 57.853 58.200 0.543 0.000 1.089 852 S CB 0.696 64.354 63.200 0.763 0.000 0.997 852 S HN 0.554 nan 8.310 nan 0.000 0.470 853 R N 3.659 124.318 120.500 0.266 0.000 2.387 853 R HA 0.547 4.886 4.340 -0.001 0.000 0.314 853 R C -0.671 175.706 176.300 0.128 0.000 0.958 853 R CA -0.737 55.477 56.100 0.189 0.000 0.846 853 R CB 1.749 32.133 30.300 0.140 0.000 1.147 853 R HN 0.568 nan 8.270 nan 0.000 0.447 854 K N 0.810 121.282 120.400 0.121 0.000 2.444 854 K HA 0.511 4.830 4.320 -0.001 0.000 0.252 854 K C -0.744 175.855 176.600 -0.002 0.000 0.993 854 K CA -0.952 55.335 56.287 -0.000 0.000 0.847 854 K CB 2.519 34.993 32.500 -0.043 0.000 1.340 854 K HN 0.623 nan 8.250 nan 0.000 0.446 855 T N -1.417 113.061 114.554 -0.126 0.000 2.952 855 T HA 0.509 4.859 4.350 -0.001 0.000 0.305 855 T C -1.418 173.198 174.700 -0.141 0.000 1.064 855 T CA -0.773 61.302 62.100 -0.042 0.000 1.008 855 T CB 0.425 69.278 68.868 -0.026 0.000 1.078 855 T HN 0.396 nan 8.240 nan 0.000 0.459 856 Y N 1.148 121.411 120.300 -0.062 0.000 2.328 856 Y HA 0.657 5.206 4.550 -0.001 0.000 0.336 856 Y C 0.500 176.325 175.900 -0.125 0.000 0.960 856 Y CA -1.131 56.943 58.100 -0.043 0.000 1.134 856 Y CB 1.925 40.386 38.460 0.002 0.000 1.166 856 Y HN 0.693 nan 8.280 nan 0.000 0.464 857 R N 4.485 125.001 120.500 0.027 0.000 2.337 857 R HA 0.613 4.953 4.340 -0.001 0.000 0.319 857 R C -1.639 174.598 176.300 -0.105 0.000 0.954 857 R CA -0.362 55.707 56.100 -0.052 0.000 0.840 857 R CB 0.481 30.760 30.300 -0.035 0.000 1.164 857 R HN 0.775 nan 8.270 nan 0.000 0.472 858 I N 5.218 125.667 120.570 -0.203 0.000 2.307 858 I HA 0.196 4.365 4.170 -0.001 0.000 0.289 858 I C -0.194 175.798 176.117 -0.208 0.000 1.021 858 I CA -0.761 60.337 61.300 -0.338 0.000 1.224 858 I CB 1.290 38.882 38.000 -0.680 0.000 1.376 858 I HN 0.680 nan 8.210 nan 0.000 0.470 859 D N 4.232 124.554 120.400 -0.129 0.000 2.529 859 D HA 0.260 4.899 4.640 -0.001 0.000 0.273 859 D C 1.338 177.628 176.300 -0.016 0.000 1.197 859 D CA -0.691 53.275 54.000 -0.057 0.000 1.070 859 D CB 0.680 41.466 40.800 -0.024 0.000 1.134 859 D HN 0.442 nan 8.370 nan 0.000 0.590 860 G N -1.392 107.416 108.800 0.014 0.000 2.559 860 G HA2 -0.166 3.793 3.960 -0.001 0.000 0.216 860 G HA3 -0.166 3.793 3.960 -0.001 0.000 0.216 860 G C 1.186 176.131 174.900 0.076 0.000 1.126 860 G CA 0.910 46.041 45.100 0.051 0.000 0.778 860 G HN 0.533 nan 8.290 nan 0.000 0.543 861 S N -0.873 114.865 115.700 0.065 0.000 2.603 861 S HA 0.356 4.826 4.470 -0.001 0.000 0.220 861 S C 1.883 176.552 174.600 0.115 0.000 0.967 861 S CA 0.938 59.188 58.200 0.083 0.000 0.920 861 S CB -0.036 63.204 63.200 0.066 0.000 0.773 861 S HN 1.417 nan 8.310 nan 0.000 0.529 862 G N 0.523 109.404 108.800 0.134 0.000 2.176 862 G HA2 -0.244 3.715 3.960 -0.001 0.000 0.253 862 G HA3 -0.244 3.715 3.960 -0.001 0.000 0.253 862 G C -0.163 174.877 174.900 0.233 0.000 0.979 862 G CA 0.112 45.363 45.100 0.251 0.000 0.641 862 G HN 0.626 nan 8.290 nan 0.000 0.530 863 Q N -0.344 119.525 119.800 0.116 0.000 2.299 863 Q HA 0.641 4.980 4.340 -0.001 0.000 0.246 863 Q C 0.243 176.255 176.000 0.020 0.000 0.935 863 Q CA -0.105 55.765 55.803 0.113 0.000 0.887 863 Q CB 1.443 30.240 28.738 0.098 0.000 1.223 863 Q HN 0.456 nan 8.270 nan 0.000 0.439 864 M N 1.840 121.487 119.600 0.077 0.000 2.078 864 M HA 0.505 4.984 4.480 -0.001 0.000 0.320 864 M C -1.457 174.921 176.300 0.131 0.000 0.969 864 M CA -0.498 54.811 55.300 0.016 0.000 0.929 864 M CB 1.045 33.644 32.600 -0.001 0.000 1.504 864 M HN 0.703 nan 8.290 nan 0.000 0.419 865 A N 6.960 129.826 122.820 0.076 0.000 2.269 865 A HA 0.649 4.968 4.320 -0.001 0.000 0.302 865 A C -0.713 176.899 177.584 0.046 0.000 1.266 865 A CA -0.566 51.520 52.037 0.081 0.000 0.894 865 A CB 0.003 19.033 19.000 0.050 0.000 1.147 865 A HN 0.922 nan 8.150 nan 0.000 0.537 866 I N 2.510 123.100 120.570 0.032 0.000 2.354 866 I HA 0.315 4.485 4.170 -0.001 0.000 0.292 866 I C -0.142 175.872 176.117 -0.172 0.000 0.989 866 I CA -0.176 61.044 61.300 -0.132 0.000 1.188 866 I CB 2.029 39.976 38.000 -0.088 0.000 1.342 866 I HN 0.485 nan 8.210 nan 0.000 0.457 867 T N 5.854 120.268 114.554 -0.234 0.000 2.786 867 T HA 0.521 4.870 4.350 -0.001 0.000 0.283 867 T C -0.286 174.236 174.700 -0.298 0.000 0.992 867 T CA -0.467 61.507 62.100 -0.211 0.000 0.954 867 T CB 1.700 70.542 68.868 -0.044 0.000 0.934 867 T HN 0.207 nan 8.240 nan 0.000 0.440 868 V N 3.685 123.299 119.914 -0.499 0.000 2.540 868 V HA 0.513 4.633 4.120 -0.001 0.000 0.302 868 V C -0.699 175.238 176.094 -0.262 0.000 1.035 868 V CA -0.905 61.105 62.300 -0.482 0.000 0.873 868 V CB 1.995 33.227 31.823 -0.985 0.000 0.992 868 V HN 0.831 nan 8.190 nan 0.000 0.428 869 D N 3.344 123.751 120.400 0.011 0.000 2.542 869 D HA 0.505 5.144 4.640 -0.001 0.000 0.252 869 D C -0.943 175.482 176.300 0.207 0.000 1.222 869 D CA -0.087 54.014 54.000 0.169 0.000 0.895 869 D CB 2.655 43.571 40.800 0.193 0.000 1.207 869 D HN 0.262 nan 8.370 nan 0.000 0.558 870 V N 2.145 122.221 119.914 0.269 0.000 2.667 870 V HA 0.348 4.468 4.120 -0.001 0.000 0.308 870 V C 0.133 176.393 176.094 0.276 0.000 1.048 870 V CA -0.694 61.792 62.300 0.309 0.000 0.928 870 V CB 2.451 34.501 31.823 0.377 0.000 1.004 870 V HN 0.350 nan 8.190 nan 0.000 0.444 871 E N 2.185 122.539 120.200 0.258 0.000 2.187 871 E HA 0.624 4.973 4.350 -0.001 0.000 0.268 871 E C -1.590 175.151 176.600 0.235 0.000 0.896 871 E CA -0.582 55.945 56.400 0.210 0.000 0.766 871 E CB 2.541 32.340 29.700 0.165 0.000 1.142 871 E HN 0.413 nan 8.360 nan 0.000 0.408 872 V N 2.226 122.278 119.914 0.231 0.000 2.407 872 V HA 0.351 4.471 4.120 -0.001 0.000 0.291 872 V C 0.091 176.286 176.094 0.169 0.000 1.018 872 V CA -0.974 61.479 62.300 0.255 0.000 0.842 872 V CB 1.416 33.437 31.823 0.330 0.000 0.996 872 V HN 0.852 nan 8.190 nan 0.000 0.426 873 A N 3.694 126.563 122.820 0.083 0.000 2.573 873 A HA 0.181 4.500 4.320 -0.001 0.000 0.250 873 A C 1.699 179.352 177.584 0.115 0.000 1.049 873 A CA 0.729 52.804 52.037 0.063 0.000 0.767 873 A CB 0.132 19.131 19.000 -0.002 0.000 0.965 873 A HN 1.407 nan 8.150 nan 0.000 0.514 874 S N 1.601 117.369 115.700 0.114 0.000 2.440 874 S HA -0.172 4.298 4.470 -0.001 0.000 0.238 874 S C 0.971 175.647 174.600 0.128 0.000 1.010 874 S CA 1.360 59.645 58.200 0.143 0.000 0.972 874 S CB -0.266 62.998 63.200 0.106 0.000 0.774 874 S HN 0.833 nan 8.310 nan 0.000 0.501 875 D N 0.159 120.608 120.400 0.082 0.000 2.340 875 D HA 0.095 4.734 4.640 -0.001 0.000 0.217 875 D C 0.428 176.754 176.300 0.043 0.000 1.081 875 D CA 0.044 54.074 54.000 0.050 0.000 0.842 875 D CB -0.245 40.575 40.800 0.032 0.000 0.934 875 D HN 0.323 nan 8.370 nan 0.000 0.511 876 T N 2.115 116.718 114.554 0.083 0.000 2.867 876 T HA 0.342 4.692 4.350 -0.001 0.000 0.282 876 T C -2.596 172.196 174.700 0.154 0.000 1.000 876 T CA -1.898 60.274 62.100 0.119 0.000 1.042 876 T CB 1.503 70.470 68.868 0.164 0.000 0.973 876 T HN -0.115 nan 8.240 nan 0.000 0.465 877 P HA 0.008 nan 4.420 nan 0.000 0.264 877 P C -0.449 177.146 177.300 0.492 0.000 1.183 877 P CA -0.100 63.086 63.100 0.144 0.000 0.763 877 P CB 0.225 31.983 31.700 0.096 0.000 0.807 878 H N 3.489 122.936 119.070 0.628 0.000 3.034 878 H HA 0.051 4.606 4.556 -0.001 0.000 0.324 878 H C -1.617 174.061 175.328 0.583 0.000 1.015 878 H CA -1.440 54.920 56.048 0.520 0.000 1.429 878 H CB -0.833 29.178 29.762 0.415 0.000 1.429 878 H HN 0.393 nan 8.280 nan 0.000 0.585 879 P HA 0.032 nan 4.420 nan 0.000 0.271 879 P C 0.316 177.509 177.300 -0.178 0.000 1.218 879 P CA -0.208 62.941 63.100 0.082 0.000 0.780 879 P CB 0.816 32.436 31.700 -0.132 0.000 0.901 880 A N 3.624 126.087 122.820 -0.595 0.000 2.015 880 A HA -0.071 4.249 4.320 -0.001 0.000 0.219 880 A C 1.056 178.237 177.584 -0.672 0.000 1.163 880 A CA 1.176 52.808 52.037 -0.674 0.000 0.646 880 A CB -0.500 17.851 19.000 -1.081 0.000 0.806 880 A HN 0.765 nan 8.150 nan 0.000 0.448 881 R N -2.799 117.349 120.500 -0.586 0.000 2.728 881 R HA 0.696 5.035 4.340 -0.001 0.000 0.274 881 R C -1.698 174.332 176.300 -0.450 0.000 1.032 881 R CA -0.764 55.015 56.100 -0.535 0.000 0.866 881 R CB 0.646 30.602 30.300 -0.572 0.000 1.263 881 R HN -0.015 nan 8.270 nan 0.000 0.475 882 I N 1.313 121.652 120.570 -0.386 0.000 2.517 882 I HA 0.680 4.850 4.170 -0.001 0.000 0.280 882 I C -0.356 175.499 176.117 -0.437 0.000 1.061 882 I CA -0.362 60.706 61.300 -0.387 0.000 1.091 882 I CB 1.766 39.619 38.000 -0.244 0.000 1.205 882 I HN 0.994 nan 8.210 nan 0.000 0.459 883 G N 5.843 114.326 108.800 -0.530 0.000 2.578 883 G HA2 0.692 4.652 3.960 -0.001 0.000 0.302 883 G HA3 0.692 4.652 3.960 -0.001 0.000 0.302 883 G C -1.710 172.999 174.900 -0.319 0.000 1.243 883 G CA -0.578 44.261 45.100 -0.435 0.000 0.843 883 G HN 0.267 nan 8.290 nan 0.000 0.486 884 L N 0.895 121.981 121.223 -0.228 0.000 2.309 884 L HA 0.684 5.023 4.340 -0.001 0.000 0.261 884 L C -0.773 175.979 176.870 -0.196 0.000 1.021 884 L CA -1.150 53.587 54.840 -0.172 0.000 0.823 884 L CB 2.471 44.509 42.059 -0.034 0.000 1.366 884 L HN 0.829 nan 8.230 nan 0.000 0.423 885 N N 0.494 119.112 118.700 -0.137 0.000 2.591 885 N HA 0.666 5.406 4.740 -0.001 0.000 0.263 885 N C -1.336 174.173 175.510 -0.002 0.000 1.308 885 N CA -0.542 52.465 53.050 -0.072 0.000 0.837 885 N CB 2.336 40.807 38.487 -0.027 0.000 1.548 885 N HN 0.858 nan 8.380 nan 0.000 0.493 886 C N -1.173 118.133 119.300 0.010 0.000 3.303 886 C HA 0.554 5.013 4.460 -0.001 0.000 0.340 886 C C -1.048 173.719 174.990 -0.371 0.000 1.274 886 C CA -0.886 58.069 59.018 -0.106 0.000 1.234 886 C CB 0.997 28.714 27.740 -0.038 0.000 1.532 886 C HN 0.868 nan 8.230 nan 0.000 0.483 887 Q N 1.490 120.848 119.800 -0.736 0.000 2.398 887 Q HA 0.635 4.975 4.340 -0.001 0.000 0.251 887 Q C -0.993 174.722 176.000 -0.475 0.000 0.999 887 Q CA -0.413 54.758 55.803 -1.052 0.000 0.874 887 Q CB 0.706 28.486 28.738 -1.597 0.000 1.215 887 Q HN 0.765 nan 8.270 nan 0.000 0.470 888 L N 3.179 124.234 121.223 -0.279 0.000 2.416 888 L HA 0.199 4.538 4.340 -0.001 0.000 0.272 888 L C 1.244 178.070 176.870 -0.072 0.000 1.161 888 L CA -0.195 54.611 54.840 -0.057 0.000 0.845 888 L CB 0.847 42.991 42.059 0.140 0.000 1.119 888 L HN 0.841 nan 8.230 nan 0.000 0.464 889 A N 2.812 125.609 122.820 -0.039 0.000 1.969 889 A HA -0.134 4.186 4.320 -0.001 0.000 0.218 889 A C 1.156 178.735 177.584 -0.008 0.000 1.169 889 A CA 0.803 52.811 52.037 -0.049 0.000 0.635 889 A CB -0.266 18.702 19.000 -0.054 0.000 0.810 889 A HN 0.821 nan 8.150 nan 0.000 0.445 890 Q N -0.170 119.656 119.800 0.044 0.000 2.306 890 Q HA 0.459 4.799 4.340 -0.001 0.000 0.241 890 Q C -1.450 174.584 176.000 0.056 0.000 0.948 890 Q CA -0.231 55.584 55.803 0.020 0.000 0.886 890 Q CB 1.004 29.730 28.738 -0.020 0.000 1.227 890 Q HN 0.139 nan 8.270 nan 0.000 0.457 891 V N 2.842 122.753 119.914 -0.004 0.000 2.409 891 V HA 0.656 4.776 4.120 -0.001 0.000 0.290 891 V C -0.563 175.494 176.094 -0.062 0.000 1.017 891 V CA -0.503 61.827 62.300 0.050 0.000 0.841 891 V CB 0.856 32.698 31.823 0.032 0.000 1.003 891 V HN 0.885 nan 8.190 nan 0.000 0.426 892 A N 3.269 125.987 122.820 -0.170 0.000 2.299 892 A HA 0.739 5.059 4.320 -0.001 0.000 0.332 892 A C 0.739 178.335 177.584 0.021 0.000 1.131 892 A CA -0.467 51.422 52.037 -0.246 0.000 0.844 892 A CB 1.059 19.648 19.000 -0.685 0.000 1.251 892 A HN 0.812 nan 8.150 nan 0.000 0.486 893 E N 0.052 120.259 120.200 0.010 0.000 2.112 893 E HA -0.021 4.328 4.350 -0.001 0.000 0.190 893 E C 0.110 176.781 176.600 0.118 0.000 0.979 893 E CA 0.614 57.051 56.400 0.062 0.000 0.814 893 E CB 0.095 29.813 29.700 0.029 0.000 0.762 893 E HN 0.432 nan 8.360 nan 0.000 0.460 894 R N 0.610 121.187 120.500 0.128 0.000 2.832 894 R HA 0.522 4.862 4.340 -0.001 0.000 0.271 894 R C -0.728 175.747 176.300 0.292 0.000 0.996 894 R CA -0.837 55.369 56.100 0.176 0.000 0.977 894 R CB 1.852 32.223 30.300 0.120 0.000 1.168 894 R HN -0.147 nan 8.270 nan 0.000 0.482 895 V N 2.275 122.373 119.914 0.308 0.000 2.443 895 V HA 0.295 4.415 4.120 -0.001 0.000 0.293 895 V C -0.324 176.032 176.094 0.436 0.000 1.021 895 V CA -0.907 61.613 62.300 0.368 0.000 0.848 895 V CB 1.721 33.706 31.823 0.271 0.000 0.998 895 V HN 0.629 nan 8.190 nan 0.000 0.424 896 N N 4.840 123.764 118.700 0.373 0.000 2.392 896 N HA 0.529 5.269 4.740 -0.001 0.000 0.283 896 N C -1.332 174.415 175.510 0.395 0.000 1.003 896 N CA -0.392 52.846 53.050 0.315 0.000 0.892 896 N CB 2.419 40.994 38.487 0.148 0.000 1.193 896 N HN 0.790 nan 8.380 nan 0.000 0.487 897 W N 3.549 124.882 121.300 0.056 0.000 3.217 897 W HA 0.526 5.186 4.660 -0.001 0.000 0.323 897 W C -2.105 174.384 176.519 -0.050 0.000 1.216 897 W CA -1.118 56.236 57.345 0.014 0.000 1.194 897 W CB 0.570 30.061 29.460 0.051 0.000 1.397 897 W HN 0.213 nan 8.180 nan 0.000 0.537 898 L N 4.983 126.184 121.223 -0.037 0.000 2.283 898 L HA 0.899 5.238 4.340 -0.001 0.000 0.281 898 L C 0.042 176.741 176.870 -0.285 0.000 1.033 898 L CA 0.472 55.104 54.840 -0.348 0.000 0.848 898 L CB 0.428 42.356 42.059 -0.219 0.000 1.226 898 L HN 0.971 nan 8.230 nan 0.000 0.429 899 G N 3.862 112.383 108.800 -0.463 0.000 2.393 899 G HA2 0.234 4.194 3.960 -0.001 0.000 0.264 899 G HA3 0.234 4.194 3.960 -0.001 0.000 0.264 899 G C -1.570 173.346 174.900 0.025 0.000 1.221 899 G CA -0.950 44.083 45.100 -0.112 0.000 0.912 899 G HN 0.384 nan 8.290 nan 0.000 0.483 900 L N 1.237 122.618 121.223 0.264 0.000 2.305 900 L HA 0.662 5.002 4.340 -0.001 0.000 0.281 900 L C 0.976 177.922 176.870 0.127 0.000 1.085 900 L CA 0.525 55.472 54.840 0.177 0.000 0.813 900 L CB 0.811 42.926 42.059 0.093 0.000 1.157 900 L HN 1.145 nan 8.230 nan 0.000 0.436 901 G N 2.775 111.426 108.800 -0.249 0.000 2.364 901 G HA2 0.188 4.147 3.960 -0.001 0.000 0.286 901 G HA3 0.188 4.147 3.960 -0.001 0.000 0.286 901 G C -2.686 171.405 174.900 -1.348 0.000 1.241 901 G CA -0.183 44.461 45.100 -0.761 0.000 0.887 901 G HN 0.330 nan 8.290 nan 0.000 0.484 902 P HA 0.044 nan 4.420 nan 0.000 0.231 902 P C 0.467 177.558 177.300 -0.349 0.000 1.168 902 P CA 0.721 63.109 63.100 -1.187 0.000 0.779 902 P CB 0.436 31.576 31.700 -0.933 0.000 0.844 903 Q N 0.544 120.132 119.800 -0.354 0.000 2.317 903 Q HA 0.138 4.477 4.340 -0.001 0.000 0.229 903 Q C 0.422 176.304 176.000 -0.195 0.000 0.984 903 Q CA -0.560 55.119 55.803 -0.207 0.000 0.911 903 Q CB 0.635 29.269 28.738 -0.173 0.000 1.217 903 Q HN 0.139 nan 8.270 nan 0.000 0.501 904 E N 1.529 121.621 120.200 -0.181 0.000 2.529 904 E HA -0.112 4.238 4.350 -0.001 0.000 0.259 904 E C -1.167 175.350 176.600 -0.140 0.000 0.966 904 E CA 0.236 56.519 56.400 -0.196 0.000 0.937 904 E CB 0.216 29.854 29.700 -0.103 0.000 0.923 904 E HN 0.584 nan 8.360 nan 0.000 0.468 905 N N 2.950 121.502 118.700 -0.247 0.000 2.324 905 N HA 0.291 5.031 4.740 -0.001 0.000 0.285 905 N C -1.910 173.397 175.510 -0.337 0.000 1.076 905 N CA -0.665 52.293 53.050 -0.154 0.000 0.864 905 N CB 0.715 39.123 38.487 -0.132 0.000 1.632 905 N HN 0.240 nan 8.380 nan 0.000 0.478 906 Y N 0.501 120.711 120.300 -0.150 0.000 2.621 906 Y HA 0.508 5.057 4.550 -0.001 0.000 0.334 906 Y C -1.562 174.270 175.900 -0.113 0.000 1.074 906 Y CA -2.047 55.960 58.100 -0.156 0.000 1.149 906 Y CB 1.673 40.042 38.460 -0.152 0.000 1.302 906 Y HN 0.442 nan 8.280 nan 0.000 0.501 907 P HA -0.221 nan 4.420 nan 0.000 0.217 907 P C 0.426 177.620 177.300 -0.176 0.000 1.158 907 P CA 2.389 65.538 63.100 0.081 0.000 0.887 907 P CB 0.182 32.027 31.700 0.243 0.000 0.792 908 D N -2.490 117.584 120.400 -0.544 0.000 2.328 908 D HA -0.001 4.639 4.640 -0.001 0.000 0.221 908 D C 0.680 176.818 176.300 -0.270 0.000 1.072 908 D CA 0.166 53.634 54.000 -0.886 0.000 0.850 908 D CB -0.306 39.750 40.800 -1.240 0.000 0.922 908 D HN 0.136 nan 8.370 nan 0.000 0.516 909 R N 1.026 121.471 120.500 -0.091 0.000 2.754 909 R HA 0.210 4.549 4.340 -0.001 0.000 0.255 909 R C -0.691 175.633 176.300 0.040 0.000 1.723 909 R CA -0.192 55.916 56.100 0.014 0.000 1.596 909 R CB 0.077 30.389 30.300 0.020 0.000 1.424 909 R HN 0.117 nan 8.270 nan 0.000 0.662 910 L N -1.346 119.908 121.223 0.050 0.000 3.520 910 L HA 0.332 4.671 4.340 -0.001 0.000 0.323 910 L C 1.248 178.162 176.870 0.074 0.000 1.246 910 L CA 0.103 54.970 54.840 0.045 0.000 1.085 910 L CB 0.206 42.284 42.059 0.031 0.000 1.477 910 L HN 0.114 nan 8.230 nan 0.000 0.624 911 T N -2.546 112.078 114.554 0.117 0.000 2.821 911 T HA -0.003 4.347 4.350 -0.001 0.000 0.267 911 T C 1.858 176.571 174.700 0.021 0.000 1.046 911 T CA 1.357 63.548 62.100 0.152 0.000 1.139 911 T CB -0.416 68.608 68.868 0.259 0.000 0.871 911 T HN 0.384 nan 8.240 nan 0.000 0.454 912 A N 2.071 124.902 122.820 0.019 0.000 1.969 912 A HA 0.552 4.872 4.320 -0.001 0.000 0.218 912 A C 1.719 179.346 177.584 0.071 0.000 1.169 912 A CA 0.750 52.742 52.037 -0.075 0.000 0.635 912 A CB -1.157 17.949 19.000 0.177 0.000 0.810 912 A HN 0.873 nan 8.150 nan 0.000 0.445 913 A N -1.049 121.776 122.820 0.008 0.000 2.462 913 A HA 0.414 4.733 4.320 -0.001 0.000 0.243 913 A C 0.089 177.679 177.584 0.010 0.000 1.076 913 A CA 0.018 52.026 52.037 -0.048 0.000 0.773 913 A CB -0.250 18.711 19.000 -0.065 0.000 1.010 913 A HN 0.521 nan 8.150 nan 0.000 0.493 914 C N 1.108 120.410 119.300 0.004 0.000 2.493 914 C HA 0.535 4.994 4.460 -0.001 0.000 0.326 914 C C -0.021 175.065 174.990 0.159 0.000 1.200 914 C CA -0.501 58.579 59.018 0.104 0.000 1.739 914 C CB 0.602 28.422 27.740 0.134 0.000 2.300 914 C HN 0.789 nan 8.230 nan 0.000 0.500 915 F N 3.822 123.614 119.950 -0.264 0.000 2.445 915 F HA 0.471 4.997 4.527 -0.001 0.000 0.359 915 F C 0.389 175.874 175.800 -0.524 0.000 1.101 915 F CA 1.186 58.879 58.000 -0.511 0.000 1.177 915 F CB -0.018 38.153 39.000 -1.383 0.000 1.110 915 F HN 0.650 nan 8.300 nan 0.000 0.522 916 D N 3.210 123.010 120.400 -1.000 0.000 2.879 916 D HA 0.152 4.792 4.640 -0.001 0.000 0.346 916 D C -1.693 173.743 176.300 -1.441 0.000 1.390 916 D CA -0.714 52.600 54.000 -1.145 0.000 0.838 916 D CB 1.382 41.455 40.800 -1.211 0.000 1.416 916 D HN 0.435 nan 8.370 nan 0.000 0.493 917 R N 0.767 120.499 120.500 -1.279 0.000 2.207 917 R HA 0.486 4.826 4.340 -0.001 0.000 0.334 917 R C -1.471 174.104 176.300 -1.209 0.000 1.013 917 R CA -0.161 55.342 56.100 -0.995 0.000 0.858 917 R CB 0.060 30.012 30.300 -0.581 0.000 1.094 917 R HN 0.268 nan 8.270 nan 0.000 0.457 918 W N 2.983 123.769 121.300 -0.856 0.000 2.606 918 W HA 0.413 5.073 4.660 -0.000 0.000 0.332 918 W C -0.378 175.781 176.519 -0.600 0.000 1.052 918 W CA -0.691 56.093 57.345 -0.935 0.000 1.223 918 W CB 1.722 30.138 29.460 -1.739 0.000 1.383 918 W HN 0.384 nan 8.180 nan 0.000 0.524 919 D N 3.410 123.779 120.400 -0.051 0.000 2.686 919 D HA 0.506 5.146 4.640 -0.001 0.000 0.249 919 D C -1.374 175.022 176.300 0.160 0.000 1.260 919 D CA -0.151 53.903 54.000 0.090 0.000 0.910 919 D CB 1.174 41.990 40.800 0.028 0.000 1.323 919 D HN 0.401 nan 8.370 nan 0.000 0.561 920 L N 3.164 124.546 121.223 0.266 0.000 2.359 920 L HA 0.573 4.912 4.340 -0.001 0.000 0.256 920 L C -2.374 174.608 176.870 0.186 0.000 1.026 920 L CA -2.050 52.920 54.840 0.217 0.000 0.828 920 L CB 2.875 45.096 42.059 0.270 0.000 1.406 920 L HN 0.190 nan 8.230 nan 0.000 0.413 921 P HA 0.052 nan 4.420 nan 0.000 0.275 921 P C 0.591 177.961 177.300 0.117 0.000 1.227 921 P CA -0.442 62.725 63.100 0.113 0.000 0.781 921 P CB 1.480 33.228 31.700 0.079 0.000 0.906 922 L N 3.962 125.260 121.223 0.124 0.000 2.103 922 L HA -0.290 4.049 4.340 -0.001 0.000 0.215 922 L C 2.477 179.380 176.870 0.056 0.000 1.080 922 L CA 2.886 57.783 54.840 0.095 0.000 0.764 922 L CB -1.573 40.553 42.059 0.112 0.000 0.890 922 L HN 0.513 nan 8.230 nan 0.000 0.435 923 S N -1.794 113.943 115.700 0.063 0.000 2.400 923 S HA -0.211 4.258 4.470 -0.001 0.000 0.232 923 S C 1.685 176.346 174.600 0.102 0.000 1.025 923 S CA 1.299 59.548 58.200 0.083 0.000 0.993 923 S CB -0.802 62.443 63.200 0.075 0.000 0.808 923 S HN 0.544 nan 8.310 nan 0.000 0.478 924 D N 1.074 121.516 120.400 0.069 0.000 2.348 924 D HA 0.074 4.713 4.640 -0.001 0.000 0.216 924 D C 1.221 177.523 176.300 0.002 0.000 0.970 924 D CA 0.623 54.646 54.000 0.037 0.000 0.889 924 D CB -0.174 40.657 40.800 0.051 0.000 0.912 924 D HN 0.379 nan 8.370 nan 0.000 0.524 925 M N -0.372 119.234 119.600 0.010 0.000 2.628 925 M HA 0.037 4.517 4.480 -0.001 0.000 0.232 925 M C -0.101 176.184 176.300 -0.025 0.000 1.128 925 M CA 0.013 55.269 55.300 -0.074 0.000 1.040 925 M CB -0.952 31.591 32.600 -0.095 0.000 1.608 925 M HN -0.043 nan 8.290 nan 0.000 0.507 926 Y N -0.280 119.962 120.300 -0.096 0.000 2.361 926 Y HA 0.464 5.013 4.550 -0.001 0.000 0.337 926 Y C -0.770 175.079 175.900 -0.086 0.000 0.965 926 Y CA -0.998 57.066 58.100 -0.060 0.000 1.091 926 Y CB 1.270 39.742 38.460 0.020 0.000 1.182 926 Y HN -0.129 nan 8.280 nan 0.000 0.450 927 T N 9.154 123.232 114.554 -0.793 0.000 2.733 927 T HA 0.258 4.607 4.350 -0.001 0.000 0.294 927 T C -2.535 171.409 174.700 -1.261 0.000 0.956 927 T CA -1.443 60.122 62.100 -0.892 0.000 0.987 927 T CB 1.002 69.388 68.868 -0.805 0.000 0.920 927 T HN 0.478 nan 8.240 nan 0.000 0.470 928 P HA 0.055 nan 4.420 nan 0.000 0.238 928 P C -0.642 176.560 177.300 -0.163 0.000 1.714 928 P CA -0.331 62.432 63.100 -0.562 0.000 0.908 928 P CB -0.713 30.770 31.700 -0.361 0.000 1.893 929 Y N -0.396 119.862 120.300 -0.069 0.000 2.620 929 Y HA -0.093 4.457 4.550 -0.001 0.000 0.330 929 Y C 2.296 178.262 175.900 0.110 0.000 1.186 929 Y CA -0.544 57.575 58.100 0.031 0.000 1.467 929 Y CB 0.511 38.894 38.460 -0.128 0.000 1.262 929 Y HN -0.119 nan 8.280 nan 0.000 0.550 930 V N 3.537 123.686 119.914 0.393 0.000 2.324 930 V HA -0.321 3.799 4.120 -0.001 0.000 0.250 930 V C 0.585 176.866 176.094 0.311 0.000 1.060 930 V CA 1.471 63.979 62.300 0.347 0.000 1.042 930 V CB -0.573 31.488 31.823 0.396 0.000 0.650 930 V HN 0.575 nan 8.190 nan 0.000 0.450 931 F N 3.021 123.030 119.950 0.098 0.000 2.350 931 F HA 0.504 5.030 4.527 -0.001 0.000 0.365 931 F C -2.431 173.388 175.800 0.031 0.000 1.122 931 F CA -3.845 54.158 58.000 0.007 0.000 1.139 931 F CB 0.541 39.449 39.000 -0.154 0.000 1.220 931 F HN 0.001 nan 8.300 nan 0.000 0.499 932 P HA 0.176 nan 4.420 nan 0.000 0.265 932 P C -0.960 175.993 177.300 -0.579 0.000 1.193 932 P CA 0.366 63.223 63.100 -0.404 0.000 0.765 932 P CB 0.860 32.369 31.700 -0.319 0.000 0.823 933 S N 0.399 115.950 115.700 -0.248 0.000 2.655 933 S HA 0.427 4.896 4.470 -0.001 0.000 0.266 933 S C -0.912 173.659 174.600 -0.048 0.000 1.149 933 S CA -1.008 57.085 58.200 -0.178 0.000 0.818 933 S CB 0.470 63.569 63.200 -0.168 0.000 1.130 933 S HN 0.315 nan 8.310 nan 0.000 0.476 934 E N 1.267 121.452 120.200 -0.024 0.000 2.465 934 E HA 0.393 4.742 4.350 -0.001 0.000 0.260 934 E C -0.178 176.465 176.600 0.071 0.000 0.980 934 E CA 0.778 57.195 56.400 0.029 0.000 0.927 934 E CB -0.274 29.467 29.700 0.067 0.000 0.934 934 E HN 0.788 nan 8.360 nan 0.000 0.459 935 N N 1.413 120.183 118.700 0.117 0.000 3.020 935 N HA 0.500 5.240 4.740 -0.001 0.000 0.248 935 N C 0.134 175.673 175.510 0.049 0.000 1.480 935 N CA -0.613 52.537 53.050 0.167 0.000 0.874 935 N CB 0.842 39.423 38.487 0.157 0.000 1.433 935 N HN 0.674 nan 8.380 nan 0.000 0.530 936 G N -1.251 107.538 108.800 -0.018 0.000 2.155 936 G HA2 -0.268 3.691 3.960 -0.001 0.000 0.257 936 G HA3 -0.268 3.691 3.960 -0.001 0.000 0.257 936 G C -0.282 174.338 174.900 -0.466 0.000 0.983 936 G CA 0.523 45.495 45.100 -0.213 0.000 0.676 936 G HN 0.692 nan 8.290 nan 0.000 0.528 937 L N -0.195 120.675 121.223 -0.587 0.000 2.461 937 L HA 0.727 5.067 4.340 -0.001 0.000 0.272 937 L C 0.588 176.866 176.870 -0.987 0.000 1.197 937 L CA 0.132 54.391 54.840 -0.969 0.000 0.836 937 L CB 0.647 41.849 42.059 -1.428 0.000 1.105 937 L HN 0.211 nan 8.230 nan 0.000 0.477 938 R N 2.682 122.525 120.500 -1.096 0.000 2.502 938 R HA 0.474 4.813 4.340 -0.001 0.000 0.300 938 R C -1.015 174.953 176.300 -0.553 0.000 0.984 938 R CA -0.270 55.332 56.100 -0.829 0.000 0.882 938 R CB 1.269 30.902 30.300 -1.112 0.000 1.180 938 R HN 0.724 nan 8.270 nan 0.000 0.444 939 C N 0.460 119.567 119.300 -0.321 0.000 2.352 939 C HA 0.693 5.152 4.460 -0.001 0.000 0.387 939 C C 1.402 176.367 174.990 -0.041 0.000 1.294 939 C CA 0.028 58.937 59.018 -0.182 0.000 2.137 939 C CB 1.152 28.805 27.740 -0.145 0.000 2.146 939 C HN 1.029 nan 8.230 nan 0.000 0.559 940 G N 1.681 110.465 108.800 -0.026 0.000 2.341 940 G HA2 -0.191 3.768 3.960 -0.001 0.000 0.292 940 G HA3 -0.191 3.768 3.960 -0.001 0.000 0.292 940 G C -0.041 174.905 174.900 0.077 0.000 1.021 940 G CA 0.596 45.727 45.100 0.052 0.000 0.905 940 G HN 0.815 nan 8.290 nan 0.000 0.508 941 T N -0.005 114.468 114.554 -0.135 0.000 2.806 941 T HA 0.517 4.866 4.350 -0.001 0.000 0.290 941 T C 1.326 175.718 174.700 -0.513 0.000 0.966 941 T CA -0.566 61.398 62.100 -0.228 0.000 1.060 941 T CB 1.400 70.111 68.868 -0.262 0.000 0.927 941 T HN 0.230 nan 8.240 nan 0.000 0.485 942 R N 1.454 121.865 120.500 -0.150 0.000 2.307 942 R HA 0.295 4.634 4.340 -0.001 0.000 0.200 942 R C 0.475 176.800 176.300 0.042 0.000 0.893 942 R CA 0.162 56.236 56.100 -0.044 0.000 1.042 942 R CB 0.431 30.828 30.300 0.161 0.000 1.059 942 R HN 0.692 nan 8.270 nan 0.000 0.530 943 E N 0.634 120.867 120.200 0.054 0.000 2.321 943 E HA 0.301 4.650 4.350 -0.001 0.000 0.281 943 E C -1.846 174.881 176.600 0.211 0.000 0.910 943 E CA -0.641 55.866 56.400 0.179 0.000 0.770 943 E CB 1.505 31.280 29.700 0.125 0.000 1.225 943 E HN -0.095 nan 8.360 nan 0.000 0.417 944 L N 4.270 125.673 121.223 0.299 0.000 2.385 944 L HA 0.591 4.930 4.340 -0.001 0.000 0.273 944 L C -1.759 175.285 176.870 0.290 0.000 0.990 944 L CA -0.421 54.537 54.840 0.197 0.000 0.821 944 L CB 1.677 43.716 42.059 -0.034 0.000 1.279 944 L HN 0.459 nan 8.230 nan 0.000 0.412 945 N N 4.489 123.335 118.700 0.242 0.000 2.354 945 N HA 0.397 5.137 4.740 -0.001 0.000 0.287 945 N C -1.983 173.732 175.510 0.342 0.000 1.016 945 N CA -0.267 52.920 53.050 0.228 0.000 0.871 945 N CB 2.191 40.762 38.487 0.141 0.000 1.299 945 N HN 0.579 nan 8.380 nan 0.000 0.482 946 Y N 1.205 121.610 120.300 0.175 0.000 2.330 946 Y HA 0.402 4.951 4.550 -0.001 0.000 0.324 946 Y C 0.644 176.610 175.900 0.109 0.000 1.093 946 Y CA 0.082 58.291 58.100 0.183 0.000 1.103 946 Y CB 0.648 39.289 38.460 0.302 0.000 1.183 946 Y HN 0.853 nan 8.280 nan 0.000 0.433 947 G N 6.645 115.258 108.800 -0.311 0.000 2.611 947 G HA2 -0.295 3.665 3.960 -0.001 0.000 0.301 947 G HA3 -0.295 3.665 3.960 -0.001 0.000 0.301 947 G C -1.720 173.039 174.900 -0.235 0.000 1.233 947 G CA 0.149 45.048 45.100 -0.333 0.000 0.993 947 G HN 0.605 nan 8.290 nan 0.000 0.553 948 P HA 0.155 nan 4.420 nan 0.000 0.255 948 P C 0.103 177.211 177.300 -0.321 0.000 1.248 948 P CA 0.559 63.468 63.100 -0.318 0.000 0.807 948 P CB 0.049 31.539 31.700 -0.351 0.000 1.150 949 H N 0.563 119.552 119.070 -0.134 0.000 2.505 949 H HA 0.468 5.023 4.556 -0.001 0.000 0.351 949 H C -0.030 175.000 175.328 -0.496 0.000 1.151 949 H CA 0.101 55.942 56.048 -0.345 0.000 1.339 949 H CB 1.430 30.817 29.762 -0.625 0.000 1.483 949 H HN 0.107 nan 8.280 nan 0.000 0.558 950 Q N 2.230 121.718 119.800 -0.520 0.000 2.268 950 Q HA 0.204 4.544 4.340 -0.001 0.000 0.266 950 Q C -1.646 174.062 176.000 -0.487 0.000 1.006 950 Q CA -0.639 54.955 55.803 -0.348 0.000 0.824 950 Q CB 1.944 30.636 28.738 -0.077 0.000 1.306 950 Q HN 0.578 nan 8.270 nan 0.000 0.424 951 W N 4.016 125.259 121.300 -0.095 0.000 2.529 951 W HA 0.572 5.232 4.660 0.000 0.000 0.321 951 W C -0.113 176.481 176.519 0.126 0.000 1.047 951 W CA -0.675 56.593 57.345 -0.128 0.000 1.216 951 W CB 1.839 31.031 29.460 -0.447 0.000 1.357 951 W HN 0.493 nan 8.180 nan 0.000 0.489 952 R N 0.803 121.526 120.500 0.371 0.000 2.750 952 R HA 0.782 5.121 4.340 -0.001 0.000 0.281 952 R C 0.225 176.781 176.300 0.427 0.000 0.972 952 R CA -0.456 55.869 56.100 0.375 0.000 0.912 952 R CB 2.367 32.803 30.300 0.227 0.000 1.187 952 R HN 0.749 nan 8.270 nan 0.000 0.464 953 G N 0.784 109.822 108.800 0.397 0.000 2.534 953 G HA2 -0.014 3.946 3.960 -0.001 0.000 0.142 953 G HA3 -0.014 3.946 3.960 -0.001 0.000 0.142 953 G C -1.766 173.248 174.900 0.190 0.000 1.178 953 G CA -0.409 44.897 45.100 0.343 0.000 1.037 953 G HN 0.503 nan 8.290 nan 0.000 0.474 954 D N 0.047 120.562 120.400 0.192 0.000 2.381 954 D HA 0.595 5.234 4.640 -0.001 0.000 0.245 954 D C -0.626 175.665 176.300 -0.014 0.000 1.297 954 D CA -0.454 53.538 54.000 -0.013 0.000 0.931 954 D CB 0.132 40.958 40.800 0.043 0.000 1.334 954 D HN 0.574 nan 8.370 nan 0.000 0.535 955 F N -0.240 119.690 119.950 -0.033 0.000 2.706 955 F HA 0.751 5.277 4.527 -0.001 0.000 0.328 955 F C -1.008 174.736 175.800 -0.093 0.000 1.123 955 F CA -1.022 56.898 58.000 -0.133 0.000 0.978 955 F CB 0.786 39.697 39.000 -0.148 0.000 1.404 955 F HN -0.159 nan 8.300 nan 0.000 0.497 956 Q N 1.483 121.358 119.800 0.125 0.000 2.348 956 Q HA 0.650 4.989 4.340 -0.001 0.000 0.271 956 Q C -1.282 174.776 176.000 0.096 0.000 1.067 956 Q CA -0.536 55.245 55.803 -0.036 0.000 0.839 956 Q CB 2.720 31.329 28.738 -0.214 0.000 1.354 956 Q HN 0.865 nan 8.270 nan 0.000 0.447 957 F N -1.027 118.786 119.950 -0.229 0.000 2.693 957 F HA 0.732 5.259 4.527 -0.001 0.000 0.309 957 F C -1.731 173.829 175.800 -0.402 0.000 1.129 957 F CA -1.059 56.765 58.000 -0.294 0.000 0.948 957 F CB 1.562 40.424 39.000 -0.230 0.000 1.315 957 F HN 0.567 nan 8.300 nan 0.000 0.447 958 N N 2.037 120.507 118.700 -0.382 0.000 2.277 958 N HA 0.708 5.448 4.740 -0.001 0.000 0.286 958 N C -2.192 173.226 175.510 -0.153 0.000 1.140 958 N CA -0.715 52.081 53.050 -0.423 0.000 0.799 958 N CB 2.565 40.842 38.487 -0.350 0.000 1.596 958 N HN 1.127 nan 8.380 nan 0.000 0.473 959 I N 0.691 121.171 120.570 -0.150 0.000 2.610 959 I HA 0.696 4.865 4.170 -0.001 0.000 0.289 959 I C -1.339 174.679 176.117 -0.164 0.000 1.163 959 I CA -0.020 61.176 61.300 -0.174 0.000 1.044 959 I CB 1.383 39.220 38.000 -0.272 0.000 1.251 959 I HN 1.037 nan 8.210 nan 0.000 0.424 960 S N 6.284 121.900 115.700 -0.140 0.000 2.703 960 S HA 0.535 5.004 4.470 -0.001 0.000 0.273 960 S C -0.126 174.343 174.600 -0.219 0.000 1.178 960 S CA -0.956 57.136 58.200 -0.180 0.000 0.838 960 S CB 1.729 64.857 63.200 -0.121 0.000 1.178 960 S HN 0.614 nan 8.310 nan 0.000 0.494 961 R N -0.233 119.962 120.500 -0.509 0.000 2.320 961 R HA 0.284 4.623 4.340 -0.001 0.000 0.211 961 R C -0.842 175.154 176.300 -0.507 0.000 0.931 961 R CA 0.280 56.081 56.100 -0.499 0.000 1.071 961 R CB -0.934 28.975 30.300 -0.650 0.000 1.025 961 R HN 0.667 nan 8.270 nan 0.000 0.495 962 Y N 0.141 120.387 120.300 -0.090 0.000 2.364 962 Y HA 0.237 4.786 4.550 -0.001 0.000 0.340 962 Y C 0.717 176.432 175.900 -0.309 0.000 0.975 962 Y CA -1.176 56.802 58.100 -0.204 0.000 1.089 962 Y CB 1.523 39.818 38.460 -0.276 0.000 1.192 962 Y HN -0.121 nan 8.280 nan 0.000 0.454 963 S N 1.600 117.015 115.700 -0.476 0.000 2.617 963 S HA 0.100 4.570 4.470 -0.001 0.000 0.269 963 S C 0.828 175.098 174.600 -0.549 0.000 1.292 963 S CA -0.807 56.748 58.200 -1.076 0.000 1.010 963 S CB 1.438 63.637 63.200 -1.668 0.000 0.944 963 S HN 0.721 nan 8.310 nan 0.000 0.536 964 Q N 0.961 120.452 119.800 -0.515 0.000 2.135 964 Q HA -0.229 4.110 4.340 -0.001 0.000 0.204 964 Q C 2.182 178.045 176.000 -0.228 0.000 0.981 964 Q CA 2.109 57.744 55.803 -0.279 0.000 0.856 964 Q CB -0.618 27.980 28.738 -0.234 0.000 0.902 964 Q HN 0.988 nan 8.270 nan 0.000 0.425 965 Q N 0.520 120.147 119.800 -0.289 0.000 2.050 965 Q HA -0.226 4.113 4.340 -0.001 0.000 0.202 965 Q C 2.165 178.072 176.000 -0.154 0.000 0.980 965 Q CA 1.724 57.421 55.803 -0.177 0.000 0.840 965 Q CB -0.042 28.593 28.738 -0.173 0.000 0.898 965 Q HN 0.418 nan 8.270 nan 0.000 0.424 966 Q N 0.031 119.712 119.800 -0.200 0.000 2.050 966 Q HA -0.179 4.161 4.340 -0.001 0.000 0.202 966 Q C 2.223 178.123 176.000 -0.167 0.000 0.980 966 Q CA 1.477 57.186 55.803 -0.156 0.000 0.840 966 Q CB -0.133 28.492 28.738 -0.188 0.000 0.898 966 Q HN 0.513 nan 8.270 nan 0.000 0.424 967 L N 0.251 121.362 121.223 -0.187 0.000 2.079 967 L HA -0.232 4.107 4.340 -0.001 0.000 0.210 967 L C 2.713 179.470 176.870 -0.188 0.000 1.081 967 L CA 1.434 56.161 54.840 -0.188 0.000 0.752 967 L CB -0.388 41.586 42.059 -0.140 0.000 0.896 967 L HN 0.447 nan 8.230 nan 0.000 0.433 968 M N -0.497 119.022 119.600 -0.136 0.000 2.319 968 M HA -0.159 4.320 4.480 -0.001 0.000 0.265 968 M C 1.703 177.957 176.300 -0.077 0.000 1.068 968 M CA 1.624 56.866 55.300 -0.097 0.000 1.118 968 M CB 0.111 32.682 32.600 -0.049 0.000 1.395 968 M HN 0.194 nan 8.290 nan 0.000 0.435 969 E N -0.610 119.545 120.200 -0.074 0.000 2.400 969 E HA 0.060 4.409 4.350 -0.001 0.000 0.195 969 E C -0.045 176.540 176.600 -0.024 0.000 1.012 969 E CA 0.254 56.633 56.400 -0.035 0.000 0.875 969 E CB 0.343 30.027 29.700 -0.027 0.000 0.859 969 E HN 0.357 nan 8.360 nan 0.000 0.498 970 T N 0.737 115.250 114.554 -0.068 0.000 2.845 970 T HA 0.104 4.454 4.350 -0.001 0.000 0.288 970 T C 1.176 175.867 174.700 -0.016 0.000 0.980 970 T CA -0.283 61.787 62.100 -0.051 0.000 1.071 970 T CB 1.623 70.424 68.868 -0.112 0.000 0.941 970 T HN 0.063 nan 8.240 nan 0.000 0.487 971 S N 1.421 117.205 115.700 0.141 0.000 2.486 971 S HA 0.096 4.566 4.470 -0.001 0.000 0.220 971 S C 0.231 175.017 174.600 0.310 0.000 1.011 971 S CA 0.106 58.505 58.200 0.333 0.000 0.921 971 S CB -0.174 63.318 63.200 0.487 0.000 0.785 971 S HN 0.734 nan 8.310 nan 0.000 0.517 972 H N 0.798 119.947 119.070 0.132 0.000 2.717 972 H HA 0.532 5.087 4.556 -0.001 0.000 0.366 972 H C 0.981 176.342 175.328 0.054 0.000 1.132 972 H CA -0.790 55.380 56.048 0.204 0.000 1.180 972 H CB 1.505 31.415 29.762 0.247 0.000 1.678 972 H HN 0.153 nan 8.280 nan 0.000 0.537 973 R N 1.695 122.337 120.500 0.237 0.000 2.127 973 R HA -0.179 4.160 4.340 -0.001 0.000 0.238 973 R C 1.293 177.631 176.300 0.064 0.000 1.134 973 R CA 1.900 58.064 56.100 0.108 0.000 0.975 973 R CB -0.480 29.916 30.300 0.160 0.000 0.865 973 R HN 0.778 nan 8.270 nan 0.000 0.447 974 H N 1.217 120.309 119.070 0.036 0.000 2.521 974 H HA 0.015 4.571 4.556 -0.001 0.000 0.286 974 H C 1.540 176.801 175.328 -0.112 0.000 1.034 974 H CA 0.889 56.915 56.048 -0.036 0.000 1.278 974 H CB -0.176 29.559 29.762 -0.044 0.000 1.386 974 H HN 0.319 nan 8.280 nan 0.000 0.567 975 L N 0.901 121.729 121.223 -0.657 0.000 2.591 975 L HA 0.179 4.518 4.340 -0.001 0.000 0.228 975 L C 0.745 177.479 176.870 -0.227 0.000 1.133 975 L CA -0.117 54.410 54.840 -0.522 0.000 0.880 975 L CB 0.015 41.764 42.059 -0.517 0.000 1.033 975 L HN 0.061 nan 8.230 nan 0.000 0.450 976 L N 0.959 122.047 121.223 -0.226 0.000 2.439 976 L HA 0.138 4.477 4.340 -0.001 0.000 0.269 976 L C 0.113 176.935 176.870 -0.080 0.000 1.179 976 L CA -0.094 54.579 54.840 -0.277 0.000 0.828 976 L CB 0.392 42.050 42.059 -0.670 0.000 1.106 976 L HN 0.194 nan 8.230 nan 0.000 0.467 977 H N 1.782 120.830 119.070 -0.037 0.000 2.667 977 H HA 0.551 5.106 4.556 -0.001 0.000 0.353 977 H C -0.775 174.695 175.328 0.237 0.000 1.072 977 H CA -1.212 54.886 56.048 0.084 0.000 1.214 977 H CB 1.185 30.958 29.762 0.019 0.000 1.600 977 H HN 0.676 nan 8.280 nan 0.000 0.527 978 A N 3.717 126.649 122.820 0.187 0.000 2.546 978 A HA 0.081 4.400 4.320 -0.001 0.000 0.243 978 A C 0.361 177.954 177.584 0.015 0.000 1.063 978 A CA 0.004 52.031 52.037 -0.017 0.000 0.757 978 A CB -0.075 18.881 19.000 -0.073 0.000 0.991 978 A HN 0.841 nan 8.150 nan 0.000 0.503 979 E N 0.844 121.030 120.200 -0.023 0.000 2.280 979 E HA 0.238 4.588 4.350 -0.001 0.000 0.261 979 E C -0.120 176.515 176.600 0.058 0.000 1.088 979 E CA -0.682 55.771 56.400 0.089 0.000 0.915 979 E CB 0.833 30.656 29.700 0.205 0.000 1.141 979 E HN 0.796 nan 8.360 nan 0.000 0.433 980 E N 0.338 120.576 120.200 0.064 0.000 2.384 980 E HA 0.213 4.563 4.350 -0.001 0.000 0.266 980 E C 0.316 176.883 176.600 -0.055 0.000 1.012 980 E CA 0.589 56.994 56.400 0.008 0.000 0.901 980 E CB 0.316 30.021 29.700 0.009 0.000 0.967 980 E HN 0.673 nan 8.360 nan 0.000 0.435 981 G N 3.112 111.881 108.800 -0.052 0.000 2.598 981 G HA2 -0.232 3.727 3.960 -0.001 0.000 0.244 981 G HA3 -0.232 3.727 3.960 -0.001 0.000 0.244 981 G C -0.587 174.271 174.900 -0.069 0.000 1.302 981 G CA -0.151 44.907 45.100 -0.069 0.000 0.903 981 G HN 0.634 nan 8.290 nan 0.000 0.575 982 T N 0.154 114.655 114.554 -0.087 0.000 2.879 982 T HA 0.495 4.845 4.350 -0.001 0.000 0.290 982 T C -0.817 173.772 174.700 -0.185 0.000 0.993 982 T CA -0.149 61.906 62.100 -0.075 0.000 0.975 982 T CB 1.422 70.319 68.868 0.048 0.000 0.981 982 T HN 0.559 nan 8.240 nan 0.000 0.439 983 W N 3.477 124.691 121.300 -0.144 0.000 2.388 983 W HA 0.553 5.213 4.660 -0.001 0.000 0.308 983 W C -0.219 176.174 176.519 -0.210 0.000 1.263 983 W CA -0.638 56.617 57.345 -0.149 0.000 1.286 983 W CB 0.590 29.970 29.460 -0.134 0.000 1.294 983 W HN 0.378 nan 8.180 nan 0.000 0.493 984 L N 5.845 127.047 121.223 -0.035 0.000 2.313 984 L HA 0.503 4.842 4.340 -0.001 0.000 0.283 984 L C -0.816 175.944 176.870 -0.183 0.000 1.013 984 L CA -0.361 54.347 54.840 -0.219 0.000 0.816 984 L CB 0.789 42.575 42.059 -0.455 0.000 1.236 984 L HN 0.299 nan 8.230 nan 0.000 0.419 985 N N 6.816 125.390 118.700 -0.209 0.000 2.483 985 N HA 0.441 5.180 4.740 -0.001 0.000 0.267 985 N C -1.208 174.137 175.510 -0.276 0.000 0.998 985 N CA -0.175 52.750 53.050 -0.207 0.000 0.918 985 N CB 1.956 40.350 38.487 -0.155 0.000 1.215 985 N HN 0.565 nan 8.380 nan 0.000 0.500 986 I N 1.866 122.218 120.570 -0.364 0.000 2.355 986 I HA 0.230 4.399 4.170 -0.001 0.000 0.288 986 I C -0.446 175.454 176.117 -0.361 0.000 0.999 986 I CA -0.645 60.397 61.300 -0.431 0.000 1.163 986 I CB 1.276 38.829 38.000 -0.745 0.000 1.316 986 I HN 0.144 nan 8.210 nan 0.000 0.454 987 D N 4.605 124.834 120.400 -0.284 0.000 2.185 987 D HA 0.271 4.910 4.640 -0.001 0.000 0.247 987 D C 0.889 176.890 176.300 -0.498 0.000 1.027 987 D CA -0.284 53.497 54.000 -0.364 0.000 0.861 987 D CB 2.446 43.134 40.800 -0.186 0.000 1.202 987 D HN 0.677 nan 8.370 nan 0.000 0.453 988 G N 0.645 108.896 108.800 -0.915 0.000 2.426 988 G HA2 0.059 4.018 3.960 -0.001 0.000 0.214 988 G HA3 0.059 4.018 3.960 -0.001 0.000 0.214 988 G C 0.024 174.295 174.900 -1.048 0.000 1.156 988 G CA 0.400 44.851 45.100 -1.081 0.000 0.802 988 G HN 0.350 nan 8.290 nan 0.000 0.534 989 F N -1.923 117.830 119.950 -0.329 0.000 2.601 989 F HA 0.623 5.149 4.527 -0.001 0.000 0.309 989 F C -0.624 175.076 175.800 -0.168 0.000 1.089 989 F CA -1.262 56.627 58.000 -0.185 0.000 0.940 989 F CB 2.098 40.945 39.000 -0.256 0.000 1.273 989 F HN 0.025 nan 8.300 nan 0.000 0.450 990 H N 1.586 120.654 119.070 -0.003 0.000 2.865 990 H HA 0.519 5.075 4.556 -0.001 0.000 0.362 990 H C -0.795 174.549 175.328 0.027 0.000 1.114 990 H CA -0.831 55.188 56.048 -0.048 0.000 1.208 990 H CB 1.826 31.540 29.762 -0.080 0.000 1.727 990 H HN 0.784 nan 8.280 nan 0.000 0.534 991 M N 3.288 122.795 119.600 -0.155 0.000 2.232 991 M HA 0.292 4.772 4.480 -0.001 0.000 0.321 991 M C 0.378 176.756 176.300 0.130 0.000 1.101 991 M CA 0.382 55.668 55.300 -0.023 0.000 1.181 991 M CB 0.360 32.855 32.600 -0.175 0.000 1.432 991 M HN 0.822 nan 8.290 nan 0.000 0.457 992 G N 2.474 111.342 108.800 0.115 0.000 2.606 992 G HA2 0.346 4.306 3.960 -0.001 0.000 0.252 992 G HA3 0.346 4.306 3.960 -0.001 0.000 0.252 992 G C 0.602 175.476 174.900 -0.043 0.000 1.206 992 G CA -0.511 44.608 45.100 0.032 0.000 0.861 992 G HN 0.971 nan 8.290 nan 0.000 0.561 993 I N -1.101 119.398 120.570 -0.118 0.000 3.228 993 I HA 0.380 4.550 4.170 -0.001 0.000 0.279 993 I C 1.258 177.304 176.117 -0.119 0.000 1.221 993 I CA 0.458 61.650 61.300 -0.180 0.000 1.458 993 I CB -0.632 37.155 38.000 -0.354 0.000 1.105 993 I HN 0.898 nan 8.210 nan 0.000 0.445 994 G N 1.491 110.243 108.800 -0.081 0.000 2.645 994 G HA2 0.026 3.985 3.960 -0.001 0.000 0.246 994 G HA3 0.026 3.985 3.960 -0.001 0.000 0.246 994 G C 0.546 175.437 174.900 -0.015 0.000 1.322 994 G CA 0.127 45.216 45.100 -0.017 0.000 0.898 994 G HN 1.376 nan 8.290 nan 0.000 0.573 995 G N -2.353 106.453 108.800 0.010 0.000 2.559 995 G HA2 0.041 4.000 3.960 -0.001 0.000 0.202 995 G HA3 0.041 4.000 3.960 -0.001 0.000 0.202 995 G C 0.611 175.561 174.900 0.084 0.000 0.992 995 G CA 0.955 46.068 45.100 0.021 0.000 0.764 995 G HN 0.936 nan 8.290 nan 0.000 0.525 996 D N 1.201 121.672 120.400 0.117 0.000 2.190 996 D HA 0.099 4.739 4.640 -0.001 0.000 0.200 996 D C 1.018 177.375 176.300 0.096 0.000 0.992 996 D CA 2.147 56.283 54.000 0.227 0.000 0.854 996 D CB 0.164 41.100 40.800 0.227 0.000 0.936 996 D HN 0.817 nan 8.370 nan 0.000 0.462 997 D N -3.604 116.635 120.400 -0.267 0.000 2.692 997 D HA 0.285 4.924 4.640 -0.001 0.000 0.290 997 D C -0.806 174.926 176.300 -0.947 0.000 1.281 997 D CA -0.714 52.688 54.000 -0.997 0.000 0.804 997 D CB 0.747 40.583 40.800 -1.606 0.000 1.331 997 D HN -0.293 nan 8.370 nan 0.000 0.432 998 S N -0.630 114.272 115.700 -1.330 0.000 2.741 998 S HA 0.241 4.710 4.470 -0.001 0.000 0.247 998 S C -0.496 174.082 174.600 -0.035 0.000 1.050 998 S CA -0.650 57.284 58.200 -0.443 0.000 1.025 998 S CB -0.461 62.615 63.200 -0.206 0.000 0.897 998 S HN 0.607 nan 8.310 nan 0.000 0.508 999 W N 1.241 122.484 121.300 -0.095 0.000 2.518 999 W HA 0.554 5.213 4.660 -0.001 0.000 0.352 999 W C 0.058 176.553 176.519 -0.040 0.000 0.952 999 W CA -0.515 56.812 57.345 -0.031 0.000 1.624 999 W CB -0.407 29.010 29.460 -0.071 0.000 1.135 999 W HN 0.181 nan 8.180 nan 0.000 0.540 1000 S N -1.136 114.469 115.700 -0.158 0.000 2.547 1000 S HA 0.574 5.043 4.470 -0.001 0.000 0.270 1000 S C -3.132 171.405 174.600 -0.104 0.000 1.150 1000 S CA -1.626 56.517 58.200 -0.096 0.000 0.850 1000 S CB 1.606 64.767 63.200 -0.065 0.000 1.118 1000 S HN -0.225 nan 8.310 nan 0.000 0.461 1001 P HA 0.147 nan 4.420 nan 0.000 0.261 1001 P C 0.389 177.725 177.300 0.061 0.000 1.183 1001 P CA 0.124 63.229 63.100 0.008 0.000 0.761 1001 P CB 0.530 32.110 31.700 -0.200 0.000 0.785 1002 S N 0.823 116.598 115.700 0.124 0.000 2.780 1002 S HA 0.146 4.615 4.470 -0.001 0.000 0.248 1002 S C 0.169 174.855 174.600 0.142 0.000 1.036 1002 S CA -0.339 57.911 58.200 0.083 0.000 1.061 1002 S CB -0.246 62.950 63.200 -0.007 0.000 1.037 1002 S HN 0.109 nan 8.310 nan 0.000 0.584 1003 V N 2.853 122.904 119.914 0.228 0.000 2.455 1003 V HA 0.373 4.493 4.120 -0.001 0.000 0.273 1003 V C 0.815 177.067 176.094 0.263 0.000 1.045 1003 V CA -0.298 62.124 62.300 0.202 0.000 0.976 1003 V CB 0.903 32.797 31.823 0.118 0.000 0.993 1003 V HN 0.524 nan 8.190 nan 0.000 0.475 1004 S N 4.075 119.937 115.700 0.271 0.000 2.568 1004 S HA 0.268 4.738 4.470 -0.001 0.000 0.282 1004 S C 1.557 176.304 174.600 0.245 0.000 1.338 1004 S CA 0.090 58.446 58.200 0.259 0.000 1.045 1004 S CB 1.091 64.474 63.200 0.305 0.000 0.873 1004 S HN 0.991 nan 8.310 nan 0.000 0.516 1005 A N 3.626 126.545 122.820 0.164 0.000 1.948 1005 A HA -0.154 4.165 4.320 -0.001 0.000 0.220 1005 A C 2.003 179.612 177.584 0.042 0.000 1.177 1005 A CA 1.871 53.984 52.037 0.127 0.000 0.636 1005 A CB -0.677 18.377 19.000 0.089 0.000 0.815 1005 A HN 0.963 nan 8.150 nan 0.000 0.449 1006 E N -0.985 119.177 120.200 -0.062 0.000 2.472 1006 E HA -0.118 4.231 4.350 -0.001 0.000 0.200 1006 E C 0.748 177.085 176.600 -0.438 0.000 1.046 1006 E CA 0.761 57.000 56.400 -0.268 0.000 0.871 1006 E CB -0.423 29.034 29.700 -0.406 0.000 0.806 1006 E HN 0.697 nan 8.360 nan 0.000 0.533 1007 F N 0.862 120.862 119.950 0.083 0.000 2.661 1007 F HA 0.271 4.798 4.527 -0.001 0.000 0.306 1007 F C 0.881 176.718 175.800 0.061 0.000 1.094 1007 F CA -0.516 57.533 58.000 0.082 0.000 1.254 1007 F CB 0.655 39.704 39.000 0.081 0.000 1.040 1007 F HN -0.185 nan 8.300 nan 0.000 0.562 1008 Q N 1.325 121.229 119.800 0.172 0.000 2.235 1008 Q HA 0.389 4.728 4.340 -0.001 0.000 0.250 1008 Q C -0.214 175.811 176.000 0.042 0.000 0.909 1008 Q CA -0.510 55.366 55.803 0.123 0.000 0.910 1008 Q CB 1.826 30.708 28.738 0.239 0.000 1.223 1008 Q HN 0.240 nan 8.270 nan 0.000 0.432 1009 L N 2.618 123.857 121.223 0.026 0.000 2.384 1009 L HA 0.080 4.419 4.340 -0.001 0.000 0.258 1009 L C 0.608 177.470 176.870 -0.012 0.000 1.266 1009 L CA 0.002 54.849 54.840 0.013 0.000 1.162 1009 L CB -0.440 41.519 42.059 -0.168 0.000 1.375 1009 L HN 0.681 nan 8.230 nan 0.000 0.420 1010 S N -1.079 114.533 115.700 -0.147 0.000 2.578 1010 S HA 0.164 4.634 4.470 -0.001 0.000 0.231 1010 S C 1.642 176.201 174.600 -0.068 0.000 0.994 1010 S CA 0.146 58.126 58.200 -0.366 0.000 0.956 1010 S CB 0.789 63.542 63.200 -0.745 0.000 0.870 1010 S HN 0.518 nan 8.310 nan 0.000 0.494 1011 A N 1.645 124.452 122.820 -0.021 0.000 2.070 1011 A HA 0.401 4.721 4.320 -0.001 0.000 0.220 1011 A C 2.150 179.613 177.584 -0.201 0.000 1.159 1011 A CA 1.423 53.306 52.037 -0.256 0.000 0.656 1011 A CB -1.298 17.272 19.000 -0.717 0.000 0.800 1011 A HN 1.512 nan 8.150 nan 0.000 0.453 1012 G N -1.562 107.228 108.800 -0.017 0.000 2.498 1012 G HA2 -0.293 3.667 3.960 -0.001 0.000 0.229 1012 G HA3 -0.293 3.667 3.960 -0.001 0.000 0.229 1012 G C 0.463 175.384 174.900 0.036 0.000 1.156 1012 G CA 0.454 45.585 45.100 0.053 0.000 0.680 1012 G HN 0.698 nan 8.290 nan 0.000 0.512 1013 R N -0.486 119.912 120.500 -0.171 0.000 2.561 1013 R HA 0.677 5.017 4.340 -0.001 0.000 0.297 1013 R C -1.539 174.528 176.300 -0.389 0.000 0.969 1013 R CA -0.598 55.436 56.100 -0.110 0.000 0.879 1013 R CB 1.526 31.788 30.300 -0.062 0.000 1.178 1013 R HN 0.239 nan 8.270 nan 0.000 0.445 1014 Y N 0.311 120.604 120.300 -0.011 0.000 2.512 1014 Y HA 0.369 4.919 4.550 -0.001 0.000 0.348 1014 Y C -0.403 175.633 175.900 0.226 0.000 0.990 1014 Y CA -0.815 57.242 58.100 -0.072 0.000 1.033 1014 Y CB 2.178 40.438 38.460 -0.334 0.000 1.259 1014 Y HN 0.581 nan 8.280 nan 0.000 0.461 1015 H N 2.426 121.753 119.070 0.428 0.000 2.771 1015 H HA 0.611 5.166 4.556 -0.001 0.000 0.361 1015 H C -1.848 173.844 175.328 0.608 0.000 1.108 1015 H CA -0.958 55.325 56.048 0.392 0.000 1.201 1015 H CB 1.242 31.134 29.762 0.217 0.000 1.681 1015 H HN 0.565 nan 8.280 nan 0.000 0.534 1016 Y N 1.354 121.438 120.300 -0.360 0.000 2.592 1016 Y HA 0.509 5.059 4.550 -0.001 0.000 0.334 1016 Y C -1.938 173.758 175.900 -0.341 0.000 1.136 1016 Y CA -1.039 56.926 58.100 -0.226 0.000 1.042 1016 Y CB 1.292 39.742 38.460 -0.016 0.000 1.325 1016 Y HN 0.653 nan 8.280 nan 0.000 0.457 1017 Q N 3.260 123.033 119.800 -0.045 0.000 2.397 1017 Q HA 0.827 5.166 4.340 -0.001 0.000 0.275 1017 Q C -1.678 174.397 176.000 0.126 0.000 1.090 1017 Q CA -1.063 54.716 55.803 -0.040 0.000 0.809 1017 Q CB 3.518 32.271 28.738 0.025 0.000 1.362 1017 Q HN 0.741 nan 8.270 nan 0.000 0.431 1018 L N 0.852 122.137 121.223 0.104 0.000 2.409 1018 L HA 0.693 5.032 4.340 -0.001 0.000 0.262 1018 L C -1.124 175.859 176.870 0.189 0.000 0.992 1018 L CA -1.172 53.770 54.840 0.168 0.000 0.817 1018 L CB 2.440 44.580 42.059 0.135 0.000 1.350 1018 L HN 0.337 nan 8.230 nan 0.000 0.411 1019 V N 1.157 121.206 119.914 0.226 0.000 2.409 1019 V HA 0.403 4.523 4.120 -0.001 0.000 0.291 1019 V C -1.182 175.079 176.094 0.278 0.000 1.020 1019 V CA -0.402 62.033 62.300 0.225 0.000 0.848 1019 V CB 1.978 33.907 31.823 0.176 0.000 0.990 1019 V HN 0.599 nan 8.190 nan 0.000 0.430 1020 W N 7.063 128.415 121.300 0.085 0.000 2.475 1020 W HA 0.733 5.392 4.660 -0.002 0.000 0.317 1020 W C -0.252 176.265 176.519 -0.002 0.000 1.046 1020 W CA -1.086 56.237 57.345 -0.036 0.000 1.215 1020 W CB 1.482 30.977 29.460 0.059 0.000 1.335 1020 W HN 0.885 nan 8.180 nan 0.000 0.471 1021 C N 3.480 123.033 119.300 0.422 0.000 3.314 1021 C HA 0.657 5.116 4.460 -0.001 0.000 0.344 1021 C C -0.873 174.235 174.990 0.198 0.000 1.461 1021 C CA -0.891 58.296 59.018 0.283 0.000 1.249 1021 C CB 1.589 29.437 27.740 0.179 0.000 1.632 1021 C HN 0.709 nan 8.230 nan 0.000 0.452 1022 Q N 1.289 121.163 119.800 0.123 0.000 2.293 1022 Q HA 0.469 4.809 4.340 -0.001 0.000 0.261 1022 Q C -0.216 175.792 176.000 0.014 0.000 0.960 1022 Q CA -0.309 55.517 55.803 0.038 0.000 0.882 1022 Q CB 1.181 29.921 28.738 0.004 0.000 1.275 1022 Q HN 0.705 nan 8.270 nan 0.000 0.445 1023 K N 0.000 120.388 120.400 -0.020 0.000 2.780 1023 K HA 0.000 4.319 4.320 -0.001 0.000 0.191 1023 K CA 0.000 56.280 56.287 -0.012 0.000 0.838 1023 K CB 0.000 32.484 32.500 -0.027 0.000 1.064 1023 K HN 0.000 nan 8.250 nan 0.000 0.543