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 1jz6_1_D DATA FIRST_RESID 13 DATA SEQUENCE RRDWENPGVT QLNRLAAHPP FASWRNSEEA RTDRPSQQLR SLNGEWRFAW DATA SEQUENCE FPAPEAVPES WLECDLPEAD TVVVPSNWQM HGYDAPIYTN VTYPITVNPP DATA SEQUENCE FVPTENPTGC YSLTFNVDES WLQEGQTRII FDGVNSAFHL WCNGRWVGYG DATA SEQUENCE QDSRLPSEFD LSAFLRAGEN RLAVMVLRWS DGSYLEDQDM WRMSGIFRDV DATA SEQUENCE SLLHKPTTQI SDFHVATRFN DDFSRAVLEA EVQMCGELRD YLRVTVSLWQ DATA SEQUENCE GETQVASGTA PFGGEIIDER GGYADRVTLR LNVENPKLWS AEIPNLYRAV DATA SEQUENCE VELHTADGTL IEAEACDVGF REVRIENGLL LLNGKPLLIR GVNRHEHHPL DATA SEQUENCE HGQVMDEQTM VQDILLMKQN NFNAVRCSHY PNHPLWYTLC DRYGLYVVDE DATA SEQUENCE ANIETHGMVP MNRLTDDPRW LPAMSERVTR MVQRDRNHPS VIIWSLGNES DATA SEQUENCE GHGANHDALY RWIKSVDPSR PVQYEGGGAD TTATDIICPM YARVDEDQPF DATA SEQUENCE PAVPKWSIKK WLSLPGETRP LILCEYAHAM GNSLGGFAKY WQAFRQYPRL DATA SEQUENCE QGGFVWDWVD QSLIKYDENG NPWSAYGGDF GDTPNDRQFC MNGLVFADRT DATA SEQUENCE PHPALTEAKH QQQFFQFRLS GQTIEVTSEY LFRHSDNELL HWMVALDGKP DATA SEQUENCE LASGEVPLDV APQGKQLIEL PELPQPESAG QLWLTVRVVQ PNATAWSEAG DATA SEQUENCE HISAWQQWRL AENLSVTLPA ASHAIPHLTT SEMDFCIELG NKRWQFNRQS DATA SEQUENCE GFLSQMWIGD KKQLLTPLRD QFTRAPLDND IGVSEATRID PNAWVERWKA DATA SEQUENCE AGHYQAEAAL LQCTADTLAD AVLITTAHAW QHQGKTLFIS RKTYRIDGSG DATA SEQUENCE QMAITVDVEV ASDTPHPARI GLNCQLAQVA ERVNWLGLGP QENYPDRLTA DATA SEQUENCE ACFDRWDLPL SDMYTPYVFP SENGLRCGTR ELNYGPHQWR GDFQFNISRY DATA SEQUENCE SQQQLMETSH RHLLHAEEGT WLNIDGFHMG IGGDDSWSPS VSAEFQLSAG DATA SEQUENCE RYHYQLVWCQ K VARS RESID RESNAME ATOMNAME SS_SHIFT SHIFT RC_SHIFT HM_SHIFT EF_SHIFT SIGMA FORMAT %4d %4s %4s %9.3f %9.3f %9.3f %9.3f %9.3f %9.3f 13 R HA 0.000 nan 4.340 nan 0.000 0.208 13 R C 0.000 176.111 176.300 -0.315 0.000 0.893 13 R CA 0.000 55.974 56.100 -0.210 0.000 0.921 13 R CB 0.000 30.168 30.300 -0.221 0.000 0.687 14 R N 1.313 121.510 120.500 -0.505 0.000 2.860 14 R HA 0.205 4.553 4.340 0.013 0.000 0.282 14 R C -0.436 175.321 176.300 -0.906 0.000 1.408 14 R CA -0.412 54.993 56.100 -1.157 0.000 1.636 14 R CB 0.548 30.267 30.300 -0.967 0.000 1.187 14 R HN 0.514 nan 8.270 nan 0.000 0.611 15 D N 1.063 121.150 120.400 -0.522 0.000 2.265 15 D HA -0.177 4.471 4.640 0.013 0.000 0.208 15 D C 1.359 177.600 176.300 -0.097 0.000 0.977 15 D CA 1.253 55.047 54.000 -0.344 0.000 0.871 15 D CB 0.185 40.619 40.800 -0.610 0.000 0.925 15 D HN 0.628 nan 8.370 nan 0.000 0.485 16 W N 1.189 122.519 121.300 0.050 0.000 3.180 16 W HA 0.214 4.882 4.660 0.013 0.000 0.254 16 W C 0.568 177.185 176.519 0.164 0.000 1.318 16 W CA -0.269 57.200 57.345 0.208 0.000 1.608 16 W CB -0.205 29.420 29.460 0.275 0.000 1.124 16 W HN -0.207 nan 8.180 nan 0.000 0.694 17 E N 1.147 121.225 120.200 -0.203 0.000 2.989 17 E HA 0.065 4.423 4.350 0.013 0.000 0.207 17 E C -0.725 175.723 176.600 -0.254 0.000 0.989 17 E CA -0.199 56.089 56.400 -0.186 0.000 1.186 17 E CB -0.191 29.403 29.700 -0.176 0.000 1.141 17 E HN 0.012 nan 8.360 nan 0.000 0.454 18 N N 0.836 119.423 118.700 -0.189 0.000 2.699 18 N HA 0.113 4.861 4.740 0.013 0.000 0.271 18 N C -2.448 172.909 175.510 -0.255 0.000 1.216 18 N CA -1.717 51.184 53.050 -0.250 0.000 0.844 18 N CB 1.444 39.803 38.487 -0.214 0.000 1.462 18 N HN -0.174 nan 8.380 nan 0.000 0.555 19 P HA 0.075 nan 4.420 nan 0.000 0.234 19 P C 1.122 178.167 177.300 -0.425 0.000 1.167 19 P CA 0.556 63.302 63.100 -0.589 0.000 0.763 19 P CB 0.180 31.032 31.700 -1.412 0.000 0.835 20 G N -0.093 108.497 108.800 -0.350 0.000 2.430 20 G HA2 -0.039 3.929 3.960 0.013 0.000 0.216 20 G HA3 -0.039 3.929 3.960 0.013 0.000 0.216 20 G C 0.467 175.281 174.900 -0.144 0.000 1.146 20 G CA 0.203 45.158 45.100 -0.241 0.000 0.793 20 G HN 0.216 nan 8.290 nan 0.000 0.537 21 V N 2.185 122.035 119.914 -0.107 0.000 2.277 21 V HA 0.250 4.378 4.120 0.013 0.000 0.269 21 V C 1.038 177.178 176.094 0.077 0.000 1.036 21 V CA 0.346 62.635 62.300 -0.018 0.000 0.821 21 V CB 0.872 32.673 31.823 -0.036 0.000 1.052 21 V HN 0.389 nan 8.190 nan 0.000 0.462 22 T N 0.868 115.458 114.554 0.060 0.000 3.086 22 T HA 0.364 4.722 4.350 0.013 0.000 0.250 22 T C 0.243 174.990 174.700 0.078 0.000 1.074 22 T CA -0.076 62.068 62.100 0.074 0.000 0.988 22 T CB 0.102 68.972 68.868 0.002 0.000 0.988 22 T HN 0.709 nan 8.240 nan 0.000 0.530 23 Q N 0.153 120.051 119.800 0.163 0.000 2.903 23 Q HA 0.581 4.929 4.340 0.013 0.000 0.277 23 Q C -2.356 173.789 176.000 0.242 0.000 0.933 23 Q CA -0.966 54.930 55.803 0.155 0.000 0.822 23 Q CB 0.403 29.149 28.738 0.013 0.000 1.693 23 Q HN 0.222 nan 8.270 nan 0.000 0.447 24 L N 1.960 123.364 121.223 0.302 0.000 2.439 24 L HA 0.650 4.998 4.340 0.013 0.000 0.270 24 L C -0.472 176.554 176.870 0.260 0.000 0.972 24 L CA -0.896 54.129 54.840 0.307 0.000 0.836 24 L CB 1.792 44.148 42.059 0.495 0.000 1.255 24 L HN 0.848 nan 8.230 nan 0.000 0.404 25 N N 1.077 119.893 118.700 0.193 0.000 2.800 25 N HA -0.195 4.553 4.740 0.013 0.000 0.250 25 N C 0.179 175.790 175.510 0.168 0.000 1.078 25 N CA 0.799 53.945 53.050 0.161 0.000 0.804 25 N CB -0.706 37.830 38.487 0.081 0.000 1.135 25 N HN 0.714 nan 8.380 nan 0.000 0.565 26 R N 1.324 121.859 120.500 0.060 0.000 2.389 26 R HA 0.337 4.684 4.340 0.013 0.000 0.295 26 R C 0.372 176.560 176.300 -0.188 0.000 1.075 26 R CA -0.322 55.630 56.100 -0.248 0.000 1.005 26 R CB 0.494 30.552 30.300 -0.403 0.000 0.987 26 R HN 0.142 nan 8.270 nan 0.000 0.452 27 L N 3.421 124.495 121.223 -0.249 0.000 2.452 27 L HA 0.222 4.570 4.340 0.013 0.000 0.267 27 L C 0.763 177.585 176.870 -0.080 0.000 1.188 27 L CA -0.390 54.382 54.840 -0.114 0.000 0.821 27 L CB 0.782 42.787 42.059 -0.090 0.000 1.102 27 L HN 0.828 nan 8.230 nan 0.000 0.470 28 A N 2.087 124.898 122.820 -0.016 0.000 2.561 28 A HA 0.390 4.718 4.320 0.013 0.000 0.234 28 A C 0.405 178.016 177.584 0.046 0.000 1.055 28 A CA 0.159 52.201 52.037 0.009 0.000 0.756 28 A CB 0.060 19.083 19.000 0.038 0.000 0.986 28 A HN 0.815 nan 8.150 nan 0.000 0.505 29 A N 1.824 124.627 122.820 -0.029 0.000 2.332 29 A HA 0.709 5.037 4.320 0.013 0.000 0.258 29 A C 0.128 177.649 177.584 -0.105 0.000 1.087 29 A CA 0.469 52.418 52.037 -0.147 0.000 0.802 29 A CB 0.034 18.927 19.000 -0.179 0.000 1.042 29 A HN 1.919 nan 8.150 nan 0.000 0.489 30 H N -2.356 116.561 119.070 -0.254 0.000 2.904 30 H HA 0.630 5.193 4.556 0.013 0.000 0.290 30 H C -3.355 171.669 175.328 -0.507 0.000 1.437 30 H CA -1.694 54.136 56.048 -0.363 0.000 1.147 30 H CB 0.199 29.656 29.762 -0.509 0.000 1.824 30 H HN 0.412 nan 8.280 nan 0.000 0.505 31 P HA 0.243 nan 4.420 nan 0.000 0.276 31 P C -2.634 174.417 177.300 -0.415 0.000 1.261 31 P CA -1.697 61.143 63.100 -0.434 0.000 0.800 31 P CB -0.302 31.118 31.700 -0.468 0.000 1.066 32 P HA 0.090 nan 4.420 nan 0.000 0.263 32 P C -0.724 176.740 177.300 0.273 0.000 1.195 32 P CA 1.090 64.193 63.100 0.006 0.000 0.762 32 P CB -0.122 31.632 31.700 0.090 0.000 0.799 33 F N 1.197 121.243 119.950 0.161 0.000 2.598 33 F HA 0.616 5.151 4.527 0.013 0.000 0.327 33 F C 0.928 176.648 175.800 -0.134 0.000 1.057 33 F CA -1.108 56.936 58.000 0.073 0.000 0.957 33 F CB 2.228 41.245 39.000 0.027 0.000 1.278 33 F HN 0.192 nan 8.300 nan 0.000 0.484 34 A N 0.218 122.950 122.820 -0.147 0.000 2.653 34 A HA 0.257 4.585 4.320 0.013 0.000 0.248 34 A C 0.577 177.871 177.584 -0.484 0.000 1.211 34 A CA 0.417 52.124 52.037 -0.550 0.000 0.991 34 A CB -0.080 18.103 19.000 -1.361 0.000 1.252 34 A HN 0.766 nan 8.150 nan 0.000 0.593 35 S N 0.317 115.852 115.700 -0.275 0.000 3.550 35 S HA -0.153 4.325 4.470 0.013 0.000 0.372 35 S C -0.008 174.534 174.600 -0.096 0.000 0.966 35 S CA 0.438 58.532 58.200 -0.176 0.000 1.229 35 S CB -1.549 61.539 63.200 -0.188 0.000 0.917 35 S HN 0.481 nan 8.310 nan 0.000 0.496 36 W N 1.526 122.817 121.300 -0.016 0.000 2.181 36 W HA 0.231 4.898 4.660 0.013 0.000 0.335 36 W C 1.324 177.837 176.519 -0.010 0.000 1.310 36 W CA -0.517 56.829 57.345 0.001 0.000 1.226 36 W CB 0.283 29.739 29.460 -0.008 0.000 1.155 36 W HN 0.327 nan 8.180 nan 0.000 0.565 37 R N 2.043 122.693 120.500 0.249 0.000 2.509 37 R HA 0.071 4.419 4.340 0.013 0.000 0.300 37 R C -0.008 176.364 176.300 0.119 0.000 0.985 37 R CA -0.078 56.109 56.100 0.146 0.000 1.092 37 R CB -0.177 30.190 30.300 0.112 0.000 1.237 37 R HN 0.342 nan 8.270 nan 0.000 0.546 38 N N -0.015 118.767 118.700 0.137 0.000 2.454 38 N HA 0.099 4.847 4.740 0.013 0.000 0.291 38 N C -0.123 175.365 175.510 -0.037 0.000 1.079 38 N CA -0.031 53.047 53.050 0.046 0.000 0.893 38 N CB 1.819 40.336 38.487 0.051 0.000 1.512 38 N HN -0.275 nan 8.380 nan 0.000 0.497 39 S N 2.255 117.911 115.700 -0.072 0.000 2.419 39 S HA -0.167 4.311 4.470 0.013 0.000 0.235 39 S C 1.365 175.801 174.600 -0.272 0.000 1.019 39 S CA 1.266 59.374 58.200 -0.153 0.000 0.982 39 S CB 0.074 63.211 63.200 -0.105 0.000 0.789 39 S HN 0.759 nan 8.310 nan 0.000 0.490 40 E N 1.296 121.360 120.200 -0.226 0.000 2.112 40 E HA -0.081 4.277 4.350 0.013 0.000 0.190 40 E C 1.885 178.292 176.600 -0.322 0.000 0.979 40 E CA 0.882 57.113 56.400 -0.280 0.000 0.814 40 E CB -0.051 29.532 29.700 -0.194 0.000 0.762 40 E HN 0.214 nan 8.360 nan 0.000 0.460 41 E N 0.296 120.333 120.200 -0.271 0.000 2.106 41 E HA -0.132 4.226 4.350 0.013 0.000 0.192 41 E C 1.962 178.079 176.600 -0.806 0.000 0.984 41 E CA 1.110 57.333 56.400 -0.295 0.000 0.806 41 E CB -0.419 29.262 29.700 -0.032 0.000 0.750 41 E HN 0.387 nan 8.360 nan 0.000 0.458 42 A N 1.554 123.713 122.820 -1.102 0.000 1.898 42 A HA -0.185 4.143 4.320 0.013 0.000 0.216 42 A C 2.235 179.224 177.584 -0.992 0.000 1.181 42 A CA 1.634 52.631 52.037 -1.733 0.000 0.620 42 A CB -0.498 17.872 19.000 -1.049 0.000 0.819 42 A HN 0.154 nan 8.150 nan 0.000 0.442 43 R N -0.025 120.073 120.500 -0.670 0.000 2.091 43 R HA -0.149 4.199 4.340 0.013 0.000 0.238 43 R C 2.006 178.043 176.300 -0.438 0.000 1.136 43 R CA 2.201 57.953 56.100 -0.579 0.000 0.959 43 R CB -0.570 29.249 30.300 -0.802 0.000 0.856 43 R HN 0.608 nan 8.270 nan 0.000 0.437 44 T N -2.768 111.546 114.554 -0.400 0.000 3.148 44 T HA 0.027 4.385 4.350 0.013 0.000 0.253 44 T C 0.389 174.993 174.700 -0.160 0.000 1.134 44 T CA 0.677 62.633 62.100 -0.240 0.000 1.051 44 T CB 0.044 68.801 68.868 -0.185 0.000 0.959 44 T HN 0.396 nan 8.240 nan 0.000 0.525 45 D N 0.476 120.741 120.400 -0.226 0.000 3.090 45 D HA -0.154 4.494 4.640 0.013 0.000 0.215 45 D C 0.102 176.517 176.300 0.190 0.000 1.140 45 D CA 0.561 54.573 54.000 0.019 0.000 0.937 45 D CB -1.060 39.792 40.800 0.086 0.000 1.108 45 D HN 0.622 nan 8.370 nan 0.000 0.420 46 R N 0.132 120.705 120.500 0.122 0.000 2.583 46 R HA 0.529 4.876 4.340 0.013 0.000 0.268 46 R C -2.147 174.428 176.300 0.457 0.000 1.101 46 R CA -1.328 54.901 56.100 0.215 0.000 1.180 46 R CB 0.023 30.390 30.300 0.112 0.000 1.128 46 R HN 0.066 nan 8.270 nan 0.000 0.568 47 P HA -0.009 nan 4.420 nan 0.000 0.270 47 P C -0.754 176.710 177.300 0.273 0.000 1.223 47 P CA -0.029 63.222 63.100 0.251 0.000 0.785 47 P CB 0.716 32.503 31.700 0.145 0.000 0.923 48 S N 0.186 115.915 115.700 0.049 0.000 2.473 48 S HA 0.160 4.638 4.470 0.013 0.000 0.307 48 S C 0.767 175.391 174.600 0.039 0.000 1.094 48 S CA -0.538 57.642 58.200 -0.033 0.000 1.070 48 S CB 0.579 63.517 63.200 -0.436 0.000 1.019 48 S HN 0.298 nan 8.310 nan 0.000 0.480 49 Q N 2.388 122.251 119.800 0.105 0.000 2.488 49 Q HA 0.005 4.353 4.340 0.013 0.000 0.211 49 Q C 1.075 177.222 176.000 0.246 0.000 0.967 49 Q CA 0.520 56.412 55.803 0.148 0.000 0.926 49 Q CB 0.085 28.912 28.738 0.148 0.000 0.992 49 Q HN 0.633 nan 8.270 nan 0.000 0.506 50 Q N 0.104 120.006 119.800 0.169 0.000 2.451 50 Q HA 0.053 4.401 4.340 0.013 0.000 0.206 50 Q C -0.005 176.051 176.000 0.093 0.000 0.947 50 Q CA 0.397 56.289 55.803 0.150 0.000 0.937 50 Q CB 0.306 29.039 28.738 -0.008 0.000 1.025 50 Q HN 0.199 nan 8.270 nan 0.000 0.511 51 L N 0.985 122.255 121.223 0.079 0.000 2.342 51 L HA 0.380 4.728 4.340 0.013 0.000 0.276 51 L C -0.987 175.947 176.870 0.106 0.000 0.997 51 L CA -0.206 54.662 54.840 0.047 0.000 0.838 51 L CB 1.161 43.170 42.059 -0.082 0.000 1.224 51 L HN -0.170 nan 8.230 nan 0.000 0.416 52 R N 2.502 123.092 120.500 0.150 0.000 2.740 52 R HA 0.632 4.979 4.340 0.013 0.000 0.282 52 R C -0.879 175.454 176.300 0.056 0.000 0.969 52 R CA -0.762 55.404 56.100 0.112 0.000 0.918 52 R CB 2.204 32.589 30.300 0.141 0.000 1.175 52 R HN 0.655 nan 8.270 nan 0.000 0.464 53 S N 2.120 117.843 115.700 0.038 0.000 2.489 53 S HA 0.325 4.803 4.470 0.013 0.000 0.291 53 S C 0.472 175.094 174.600 0.036 0.000 1.151 53 S CA -0.670 57.544 58.200 0.024 0.000 1.082 53 S CB 0.684 63.903 63.200 0.032 0.000 1.019 53 S HN 0.585 nan 8.310 nan 0.000 0.492 54 L N 3.378 124.629 121.223 0.047 0.000 2.700 54 L HA 0.295 4.643 4.340 0.013 0.000 0.234 54 L C 0.205 177.249 176.870 0.290 0.000 1.156 54 L CA -0.399 54.516 54.840 0.125 0.000 0.946 54 L CB -0.379 41.751 42.059 0.118 0.000 1.216 54 L HN 0.550 nan 8.230 nan 0.000 0.493 55 N N 1.296 120.092 118.700 0.159 0.000 2.374 55 N HA 0.372 5.120 4.740 0.013 0.000 0.241 55 N C 0.678 176.317 175.510 0.215 0.000 1.262 55 N CA 1.216 54.351 53.050 0.142 0.000 0.880 55 N CB 0.763 39.278 38.487 0.047 0.000 1.105 55 N HN 0.325 nan 8.380 nan 0.000 0.438 56 G N 0.164 109.099 108.800 0.226 0.000 2.270 56 G HA2 -0.094 3.874 3.960 0.013 0.000 0.268 56 G HA3 -0.094 3.874 3.960 0.013 0.000 0.268 56 G C -1.449 173.670 174.900 0.365 0.000 1.312 56 G CA -0.832 44.404 45.100 0.228 0.000 1.050 56 G HN 0.492 nan 8.290 nan 0.000 0.474 57 E N -0.064 120.317 120.200 0.301 0.000 2.259 57 E HA 0.469 4.826 4.350 0.013 0.000 0.281 57 E C -0.774 176.062 176.600 0.393 0.000 1.037 57 E CA -0.166 56.431 56.400 0.327 0.000 0.854 57 E CB 0.830 30.637 29.700 0.178 0.000 1.051 57 E HN 0.377 nan 8.360 nan 0.000 0.409 58 W N 1.836 123.230 121.300 0.156 0.000 2.869 58 W HA 0.438 5.106 4.660 0.013 0.000 0.345 58 W C 0.124 176.776 176.519 0.222 0.000 1.191 58 W CA -0.700 56.772 57.345 0.212 0.000 1.104 58 W CB 0.736 30.378 29.460 0.302 0.000 1.471 58 W HN 0.190 nan 8.180 nan 0.000 0.612 59 R N 1.195 121.981 120.500 0.477 0.000 2.604 59 R HA 0.621 4.968 4.340 0.013 0.000 0.287 59 R C -1.562 175.014 176.300 0.461 0.000 0.970 59 R CA -0.971 55.346 56.100 0.362 0.000 0.946 59 R CB 1.451 31.904 30.300 0.256 0.000 1.127 59 R HN 0.460 nan 8.270 nan 0.000 0.473 60 F N 0.221 120.241 119.950 0.116 0.000 2.608 60 F HA 0.642 5.177 4.527 0.013 0.000 0.309 60 F C -1.566 174.121 175.800 -0.189 0.000 1.103 60 F CA -0.629 57.320 58.000 -0.085 0.000 0.954 60 F CB 2.047 40.894 39.000 -0.254 0.000 1.267 60 F HN 0.624 nan 8.300 nan 0.000 0.444 61 A N 4.344 126.444 122.820 -1.201 0.000 2.455 61 A HA 0.572 4.900 4.320 0.013 0.000 0.300 61 A C -2.377 174.189 177.584 -1.697 0.000 1.040 61 A CA -0.505 50.848 52.037 -1.139 0.000 0.697 61 A CB 0.701 19.288 19.000 -0.688 0.000 1.265 61 A HN 0.925 nan 8.150 nan 0.000 0.407 62 W N 2.482 122.814 121.300 -1.612 0.000 2.496 62 W HA 0.758 5.426 4.660 0.013 0.000 0.327 62 W C -1.620 174.101 176.519 -1.331 0.000 1.086 62 W CA -0.171 56.388 57.345 -1.311 0.000 1.222 62 W CB 1.104 30.078 29.460 -0.809 0.000 1.304 62 W HN 0.517 nan 8.180 nan 0.000 0.547 63 F N 4.895 124.104 119.950 -1.234 0.000 2.613 63 F HA 0.376 4.911 4.527 0.013 0.000 0.314 63 F C -1.465 173.368 175.800 -1.612 0.000 1.075 63 F CA -2.191 55.190 58.000 -1.031 0.000 0.945 63 F CB 1.492 40.094 39.000 -0.663 0.000 1.310 63 F HN 0.152 nan 8.300 nan 0.000 0.467 64 P HA 0.156 nan 4.420 nan 0.000 0.227 64 P C -0.370 176.837 177.300 -0.155 0.000 1.161 64 P CA 0.832 63.760 63.100 -0.286 0.000 0.788 64 P CB 0.704 32.445 31.700 0.069 0.000 0.822 65 A N -0.716 122.005 122.820 -0.166 0.000 2.597 65 A HA 0.490 4.818 4.320 0.013 0.000 0.292 65 A C -2.414 175.053 177.584 -0.195 0.000 1.057 65 A CA -0.937 51.032 52.037 -0.112 0.000 0.674 65 A CB 0.350 19.349 19.000 -0.001 0.000 1.278 65 A HN -0.288 nan 8.150 nan 0.000 0.416 66 P HA -0.151 nan 4.420 nan 0.000 0.218 66 P C 0.663 177.852 177.300 -0.184 0.000 1.148 66 P CA 1.632 64.581 63.100 -0.252 0.000 0.822 66 P CB 0.184 31.713 31.700 -0.286 0.000 0.784 67 E N 0.246 120.402 120.200 -0.073 0.000 2.333 67 E HA -0.061 4.296 4.350 0.013 0.000 0.198 67 E C 1.988 178.507 176.600 -0.135 0.000 1.007 67 E CA 1.240 57.607 56.400 -0.055 0.000 0.845 67 E CB -0.960 28.747 29.700 0.012 0.000 0.766 67 E HN 0.301 nan 8.360 nan 0.000 0.507 68 A N 0.307 122.996 122.820 -0.218 0.000 2.275 68 A HA 0.133 4.461 4.320 0.013 0.000 0.212 68 A C 0.658 177.932 177.584 -0.516 0.000 1.201 68 A CA -0.220 51.683 52.037 -0.224 0.000 0.843 68 A CB 0.324 19.288 19.000 -0.060 0.000 0.873 68 A HN 0.051 nan 8.150 nan 0.000 0.492 69 V N 2.920 122.358 119.914 -0.794 0.000 2.508 69 V HA 0.201 4.329 4.120 0.013 0.000 0.281 69 V C -2.236 173.582 176.094 -0.459 0.000 1.041 69 V CA -1.372 60.292 62.300 -1.061 0.000 1.016 69 V CB 0.599 31.794 31.823 -1.048 0.000 0.984 69 V HN 0.289 nan 8.190 nan 0.000 0.478 70 P HA 0.273 nan 4.420 nan 0.000 0.279 70 P C 0.341 177.597 177.300 -0.074 0.000 1.239 70 P CA -0.424 62.601 63.100 -0.125 0.000 0.789 70 P CB 1.090 32.767 31.700 -0.038 0.000 0.933 71 E N 0.882 121.046 120.200 -0.060 0.000 2.267 71 E HA -0.133 4.225 4.350 0.013 0.000 0.197 71 E C 1.715 178.292 176.600 -0.038 0.000 0.998 71 E CA 1.324 57.690 56.400 -0.057 0.000 0.830 71 E CB -0.726 28.944 29.700 -0.050 0.000 0.751 71 E HN 0.408 nan 8.360 nan 0.000 0.491 72 S N 0.010 115.709 115.700 -0.003 0.000 2.370 72 S HA -0.211 4.266 4.470 0.013 0.000 0.226 72 S C 1.635 176.259 174.600 0.040 0.000 1.033 72 S CA 1.079 59.287 58.200 0.014 0.000 1.011 72 S CB -0.765 62.453 63.200 0.030 0.000 0.852 72 S HN 0.536 nan 8.310 nan 0.000 0.457 73 W N 2.857 124.080 121.300 -0.128 0.000 2.313 73 W HA -0.159 4.509 4.660 0.013 0.000 0.293 73 W C 1.582 178.003 176.519 -0.163 0.000 1.216 73 W CA 0.954 58.225 57.345 -0.124 0.000 1.223 73 W CB -0.661 28.699 29.460 -0.167 0.000 1.138 73 W HN 0.219 nan 8.180 nan 0.000 0.535 74 L N 0.049 121.127 121.223 -0.241 0.000 2.043 74 L HA -0.244 4.104 4.340 0.013 0.000 0.212 74 L C 2.580 179.257 176.870 -0.322 0.000 1.075 74 L CA 1.756 56.310 54.840 -0.477 0.000 0.752 74 L CB -0.721 41.101 42.059 -0.395 0.000 0.891 74 L HN -0.020 nan 8.230 nan 0.000 0.432 75 E N -1.104 118.990 120.200 -0.176 0.000 2.206 75 E HA 0.062 4.419 4.350 0.013 0.000 0.195 75 E C 0.430 176.976 176.600 -0.090 0.000 0.935 75 E CA 0.547 56.883 56.400 -0.107 0.000 0.875 75 E CB 0.527 30.193 29.700 -0.056 0.000 0.841 75 E HN 0.481 nan 8.360 nan 0.000 0.477 76 C N 0.719 119.980 119.300 -0.065 0.000 2.626 76 C HA 0.561 5.029 4.460 0.013 0.000 0.310 76 C C 0.113 175.112 174.990 0.015 0.000 1.191 76 C CA -1.877 57.124 59.018 -0.028 0.000 1.517 76 C CB 0.990 28.723 27.740 -0.013 0.000 2.102 76 C HN 0.196 nan 8.230 nan 0.000 0.479 77 D N 1.065 121.482 120.400 0.028 0.000 2.548 77 D HA 0.153 4.800 4.640 0.013 0.000 0.231 77 D C -0.369 176.000 176.300 0.115 0.000 1.142 77 D CA 0.279 54.334 54.000 0.091 0.000 0.866 77 D CB 0.522 41.366 40.800 0.073 0.000 1.190 77 D HN 0.592 nan 8.370 nan 0.000 0.469 78 L N 5.906 127.234 121.223 0.175 0.000 2.283 78 L HA 0.240 4.588 4.340 0.013 0.000 0.287 78 L C -1.159 175.757 176.870 0.077 0.000 1.073 78 L CA -1.568 53.347 54.840 0.126 0.000 0.822 78 L CB 1.197 43.330 42.059 0.124 0.000 1.186 78 L HN 0.539 nan 8.230 nan 0.000 0.436 79 P HA -0.216 nan 4.420 nan 0.000 0.217 79 P C 1.028 178.342 177.300 0.024 0.000 1.148 79 P CA 1.260 64.382 63.100 0.037 0.000 0.828 79 P CB 0.170 31.887 31.700 0.028 0.000 0.783 80 E N 0.416 120.622 120.200 0.010 0.000 2.110 80 E HA -0.013 4.345 4.350 0.013 0.000 0.193 80 E C 1.138 177.728 176.600 -0.017 0.000 0.988 80 E CA 0.339 56.730 56.400 -0.015 0.000 0.804 80 E CB -1.008 28.663 29.700 -0.048 0.000 0.745 80 E HN 0.099 nan 8.360 nan 0.000 0.458 81 A N 1.482 124.294 122.820 -0.013 0.000 2.614 81 A HA -0.039 4.289 4.320 0.013 0.000 0.231 81 A C -0.176 177.445 177.584 0.062 0.000 1.076 81 A CA 0.511 52.549 52.037 0.002 0.000 0.767 81 A CB 0.111 19.145 19.000 0.056 0.000 1.012 81 A HN 0.189 nan 8.150 nan 0.000 0.512 82 D N -1.014 119.456 120.400 0.117 0.000 2.497 82 D HA 0.616 5.264 4.640 0.013 0.000 0.243 82 D C -0.629 175.778 176.300 0.178 0.000 1.039 82 D CA -0.061 54.027 54.000 0.146 0.000 1.052 82 D CB 1.420 42.359 40.800 0.232 0.000 1.344 82 D HN 0.418 nan 8.370 nan 0.000 0.553 83 T N 0.425 115.066 114.554 0.145 0.000 2.749 83 T HA 0.553 4.911 4.350 0.013 0.000 0.287 83 T C -0.119 174.661 174.700 0.134 0.000 0.970 83 T CA -0.587 61.607 62.100 0.157 0.000 0.980 83 T CB 0.697 69.633 68.868 0.114 0.000 0.924 83 T HN 0.263 nan 8.240 nan 0.000 0.456 84 V N 1.308 121.335 119.914 0.188 0.000 3.040 84 V HA 0.789 4.917 4.120 0.013 0.000 0.312 84 V C -0.384 175.833 176.094 0.204 0.000 1.115 84 V CA -1.027 61.344 62.300 0.118 0.000 0.998 84 V CB 1.757 33.653 31.823 0.121 0.000 1.042 84 V HN 0.538 nan 8.190 nan 0.000 0.433 85 V N 3.056 123.061 119.914 0.152 0.000 2.614 85 V HA 0.421 4.549 4.120 0.013 0.000 0.291 85 V C 0.191 176.375 176.094 0.150 0.000 1.049 85 V CA -0.001 62.395 62.300 0.161 0.000 1.038 85 V CB 1.242 33.124 31.823 0.097 0.000 0.980 85 V HN 0.755 nan 8.190 nan 0.000 0.481 86 V N 7.563 127.501 119.914 0.039 0.000 2.540 86 V HA 0.459 4.586 4.120 0.013 0.000 0.302 86 V C -2.231 173.774 176.094 -0.149 0.000 1.035 86 V CA -1.745 60.437 62.300 -0.197 0.000 0.873 86 V CB 2.439 33.829 31.823 -0.722 0.000 0.992 86 V HN 0.754 nan 8.190 nan 0.000 0.428 87 P HA 0.468 nan 4.420 nan 0.000 0.277 87 P C -0.913 176.303 177.300 -0.139 0.000 1.240 87 P CA -0.187 62.791 63.100 -0.204 0.000 0.798 87 P CB 1.309 32.901 31.700 -0.180 0.000 0.979 88 S N 0.092 115.709 115.700 -0.138 0.000 2.597 88 S HA 0.364 4.842 4.470 0.013 0.000 0.274 88 S C -1.331 173.167 174.600 -0.171 0.000 1.132 88 S CA -1.045 57.054 58.200 -0.169 0.000 0.835 88 S CB 0.273 63.343 63.200 -0.216 0.000 1.092 88 S HN 0.311 nan 8.310 nan 0.000 0.457 89 N N 1.245 119.797 118.700 -0.247 0.000 2.425 89 N HA 0.402 5.150 4.740 0.013 0.000 0.268 89 N C 0.791 176.132 175.510 -0.282 0.000 0.991 89 N CA -0.786 52.094 53.050 -0.284 0.000 0.931 89 N CB 0.593 38.894 38.487 -0.310 0.000 1.130 89 N HN 0.849 nan 8.380 nan 0.000 0.493 90 W N 2.841 124.041 121.300 -0.168 0.000 2.325 90 W HA -0.212 4.456 4.660 0.014 0.000 0.299 90 W C 1.074 177.640 176.519 0.077 0.000 1.215 90 W CA 1.052 58.344 57.345 -0.088 0.000 1.244 90 W CB -0.517 28.887 29.460 -0.092 0.000 1.140 90 W HN 0.494 nan 8.180 nan 0.000 0.523 91 Q N 0.359 120.233 119.800 0.123 0.000 2.291 91 Q HA -0.121 4.226 4.340 0.013 0.000 0.206 91 Q C 2.159 178.169 176.000 0.017 0.000 0.976 91 Q CA 1.903 57.773 55.803 0.111 0.000 0.875 91 Q CB -0.601 28.074 28.738 -0.105 0.000 0.927 91 Q HN 0.349 nan 8.270 nan 0.000 0.450 92 M N -1.162 118.395 119.600 -0.072 0.000 2.492 92 M HA -0.022 4.466 4.480 0.013 0.000 0.262 92 M C 0.789 177.143 176.300 0.090 0.000 1.090 92 M CA 1.236 56.498 55.300 -0.063 0.000 1.110 92 M CB -0.524 32.001 32.600 -0.125 0.000 1.407 92 M HN 0.380 nan 8.290 nan 0.000 0.470 93 H N -0.389 118.744 119.070 0.104 0.000 2.539 93 H HA 0.226 4.790 4.556 0.013 0.000 0.269 93 H C 1.276 176.492 175.328 -0.185 0.000 0.980 93 H CA 0.158 56.236 56.048 0.050 0.000 1.152 93 H CB 0.320 30.253 29.762 0.284 0.000 1.407 93 H HN 0.586 nan 8.280 nan 0.000 0.564 94 G N 0.350 109.161 108.800 0.018 0.000 2.141 94 G HA2 -0.357 3.611 3.960 0.013 0.000 0.242 94 G HA3 -0.357 3.611 3.960 0.013 0.000 0.242 94 G C 0.400 175.165 174.900 -0.225 0.000 0.982 94 G CA 0.284 45.319 45.100 -0.110 0.000 0.662 94 G HN 0.502 nan 8.290 nan 0.000 0.527 95 Y N 1.467 121.803 120.300 0.061 0.000 2.373 95 Y HA 0.247 4.805 4.550 0.013 0.000 0.293 95 Y C 1.623 177.354 175.900 -0.283 0.000 1.129 95 Y CA 1.494 59.507 58.100 -0.144 0.000 1.226 95 Y CB 0.297 38.779 38.460 0.037 0.000 1.000 95 Y HN 0.642 nan 8.280 nan 0.000 0.549 96 D N -1.910 118.623 120.400 0.221 0.000 2.725 96 D HA 0.354 5.002 4.640 0.013 0.000 0.292 96 D C -1.280 175.148 176.300 0.213 0.000 1.288 96 D CA -0.762 53.359 54.000 0.201 0.000 0.784 96 D CB 0.633 41.640 40.800 0.345 0.000 1.308 96 D HN -0.084 nan 8.370 nan 0.000 0.429 97 A N 0.540 123.485 122.820 0.209 0.000 2.409 97 A HA 0.614 4.941 4.320 0.013 0.000 0.267 97 A C -2.201 175.455 177.584 0.119 0.000 1.127 97 A CA -0.939 51.208 52.037 0.182 0.000 0.795 97 A CB -0.224 18.923 19.000 0.244 0.000 1.061 97 A HN 0.492 nan 8.150 nan 0.000 0.502 98 P HA 0.361 nan 4.420 nan 0.000 0.275 98 P C -0.805 176.644 177.300 0.249 0.000 1.227 98 P CA 0.172 63.209 63.100 -0.103 0.000 0.781 98 P CB 0.720 32.013 31.700 -0.679 0.000 0.906 99 I N 2.880 123.695 120.570 0.408 0.000 2.406 99 I HA 0.225 4.403 4.170 0.013 0.000 0.290 99 I C -0.279 176.022 176.117 0.308 0.000 0.999 99 I CA -1.040 60.506 61.300 0.410 0.000 1.124 99 I CB 1.430 39.614 38.000 0.307 0.000 1.289 99 I HN 0.286 nan 8.210 nan 0.000 0.441 100 Y N 6.192 126.421 120.300 -0.119 0.000 2.676 100 Y HA 0.408 4.966 4.550 0.013 0.000 0.338 100 Y C -0.058 175.697 175.900 -0.240 0.000 1.057 100 Y CA -0.268 57.492 58.100 -0.565 0.000 1.314 100 Y CB 0.664 38.350 38.460 -1.290 0.000 1.164 100 Y HN 0.543 nan 8.280 nan 0.000 0.509 101 T N 5.016 119.120 114.554 -0.749 0.000 2.876 101 T HA 0.259 4.617 4.350 0.013 0.000 0.289 101 T C 0.312 174.594 174.700 -0.696 0.000 1.014 101 T CA -0.549 61.122 62.100 -0.716 0.000 0.986 101 T CB 1.098 69.763 68.868 -0.339 0.000 1.021 101 T HN 0.873 nan 8.240 nan 0.000 0.458 102 N N 2.538 120.854 118.700 -0.640 0.000 2.358 102 N HA 0.014 4.762 4.740 0.013 0.000 0.209 102 N C 1.362 176.644 175.510 -0.380 0.000 1.033 102 N CA 0.485 53.310 53.050 -0.375 0.000 1.021 102 N CB 0.169 38.450 38.487 -0.344 0.000 1.244 102 N HN 0.366 nan 8.380 nan 0.000 0.523 103 V N 0.789 120.399 119.914 -0.506 0.000 2.436 103 V HA 0.042 4.170 4.120 0.013 0.000 0.240 103 V C 0.604 176.400 176.094 -0.498 0.000 1.040 103 V CA 0.785 62.697 62.300 -0.648 0.000 1.052 103 V CB -0.432 30.897 31.823 -0.822 0.000 0.707 103 V HN 0.368 nan 8.190 nan 0.000 0.469 104 T N 1.355 115.684 114.554 -0.375 0.000 2.822 104 T HA 0.063 4.421 4.350 0.013 0.000 0.288 104 T C -0.293 174.277 174.700 -0.217 0.000 0.991 104 T CA 0.333 62.286 62.100 -0.244 0.000 1.176 104 T CB -0.425 68.327 68.868 -0.194 0.000 0.951 104 T HN 0.198 nan 8.240 nan 0.000 0.526 105 Y N 4.845 125.057 120.300 -0.147 0.000 2.702 105 Y HA 0.084 4.642 4.550 0.013 0.000 0.336 105 Y C -0.840 174.937 175.900 -0.205 0.000 1.235 105 Y CA -1.665 56.339 58.100 -0.160 0.000 1.492 105 Y CB 0.406 38.773 38.460 -0.155 0.000 1.308 105 Y HN 0.526 nan 8.280 nan 0.000 0.589 106 P HA 0.007 nan 4.420 nan 0.000 0.247 106 P C -0.460 176.579 177.300 -0.434 0.000 1.225 106 P CA 1.060 64.026 63.100 -0.223 0.000 0.768 106 P CB -0.197 31.385 31.700 -0.196 0.000 1.020 107 I N -6.091 114.249 120.570 -0.383 0.000 3.095 107 I HA 0.435 4.613 4.170 0.013 0.000 0.310 107 I C -0.882 175.117 176.117 -0.198 0.000 1.196 107 I CA -1.286 59.773 61.300 -0.402 0.000 0.985 107 I CB 1.794 39.432 38.000 -0.603 0.000 1.250 107 I HN -0.481 nan 8.210 nan 0.000 0.446 108 T N 2.779 117.257 114.554 -0.128 0.000 2.871 108 T HA 0.162 4.520 4.350 0.013 0.000 0.296 108 T C 0.301 174.994 174.700 -0.011 0.000 0.998 108 T CA -0.282 61.792 62.100 -0.043 0.000 1.162 108 T CB 0.275 69.138 68.868 -0.008 0.000 0.947 108 T HN 0.379 nan 8.240 nan 0.000 0.536 109 V N 4.646 124.565 119.914 0.007 0.000 2.390 109 V HA 0.202 4.330 4.120 0.013 0.000 0.260 109 V C 0.802 176.948 176.094 0.086 0.000 1.043 109 V CA -0.167 62.152 62.300 0.032 0.000 1.047 109 V CB -0.439 31.388 31.823 0.007 0.000 1.066 109 V HN 0.891 nan 8.190 nan 0.000 0.481 110 N N 5.629 124.449 118.700 0.199 0.000 2.679 110 N HA 0.242 4.990 4.740 0.013 0.000 0.240 110 N C -3.017 172.585 175.510 0.153 0.000 1.537 110 N CA -1.301 51.854 53.050 0.175 0.000 0.793 110 N CB 1.274 39.902 38.487 0.235 0.000 1.391 110 N HN 0.274 nan 8.380 nan 0.000 0.524 111 P HA 0.118 nan 4.420 nan 0.000 0.261 111 P C -2.215 174.895 177.300 -0.317 0.000 1.173 111 P CA -0.552 62.177 63.100 -0.620 0.000 0.760 111 P CB 0.376 31.641 31.700 -0.726 0.000 0.783 112 P HA 0.232 nan 4.420 nan 0.000 0.269 112 P C -0.477 176.677 177.300 -0.243 0.000 1.478 112 P CA -0.229 62.643 63.100 -0.380 0.000 1.045 112 P CB 0.165 31.600 31.700 -0.441 0.000 1.512 113 F N 0.859 120.925 119.950 0.193 0.000 2.370 113 F HA 0.382 4.917 4.527 0.013 0.000 0.319 113 F C 1.304 177.277 175.800 0.288 0.000 1.129 113 F CA -0.901 57.223 58.000 0.208 0.000 1.109 113 F CB 0.589 39.658 39.000 0.114 0.000 1.262 113 F HN -0.247 nan 8.300 nan 0.000 0.534 114 V N -1.377 118.828 119.914 0.485 0.000 3.046 114 V HA 0.726 4.854 4.120 0.013 0.000 0.316 114 V C -2.738 173.532 176.094 0.293 0.000 1.104 114 V CA -2.678 59.825 62.300 0.339 0.000 1.006 114 V CB 1.386 33.464 31.823 0.426 0.000 1.058 114 V HN 0.534 nan 8.190 nan 0.000 0.440 115 P HA 0.217 nan 4.420 nan 0.000 0.272 115 P C 0.950 178.389 177.300 0.232 0.000 1.230 115 P CA 0.496 63.696 63.100 0.166 0.000 0.788 115 P CB 0.754 32.513 31.700 0.099 0.000 0.949 116 T N -2.287 112.372 114.554 0.177 0.000 2.904 116 T HA -0.111 4.247 4.350 0.013 0.000 0.267 116 T C 0.680 175.483 174.700 0.172 0.000 1.059 116 T CA 0.778 62.985 62.100 0.179 0.000 1.137 116 T CB -0.563 68.376 68.868 0.119 0.000 0.879 116 T HN 0.452 nan 8.240 nan 0.000 0.467 117 E N 2.160 122.462 120.200 0.169 0.000 1.865 117 E HA 0.163 4.521 4.350 0.013 0.000 0.269 117 E C -0.908 175.835 176.600 0.239 0.000 1.177 117 E CA -0.322 56.182 56.400 0.172 0.000 0.932 117 E CB -0.106 29.697 29.700 0.172 0.000 1.066 117 E HN 0.284 nan 8.360 nan 0.000 0.405 118 N N 5.118 123.925 118.700 0.179 0.000 2.576 118 N HA 0.269 5.017 4.740 0.013 0.000 0.269 118 N C -2.880 172.630 175.510 0.001 0.000 1.058 118 N CA -2.289 50.886 53.050 0.209 0.000 0.860 118 N CB 1.440 40.038 38.487 0.185 0.000 1.249 118 N HN 0.121 nan 8.380 nan 0.000 0.525 119 P HA 0.049 nan 4.420 nan 0.000 0.261 119 P C -0.796 176.341 177.300 -0.271 0.000 1.183 119 P CA 0.387 63.334 63.100 -0.254 0.000 0.761 119 P CB 0.365 32.149 31.700 0.141 0.000 0.785 120 T N 2.701 116.869 114.554 -0.643 0.000 2.809 120 T HA 0.549 4.907 4.350 0.013 0.000 0.284 120 T C 0.315 174.526 174.700 -0.815 0.000 0.992 120 T CA -0.576 61.223 62.100 -0.502 0.000 0.957 120 T CB 1.529 70.158 68.868 -0.398 0.000 0.942 120 T HN 0.345 nan 8.240 nan 0.000 0.439 121 G N 1.183 109.561 108.800 -0.704 0.000 2.377 121 G HA2 0.456 4.424 3.960 0.013 0.000 0.316 121 G HA3 0.456 4.424 3.960 0.013 0.000 0.316 121 G C -0.150 174.590 174.900 -0.266 0.000 1.115 121 G CA -0.371 44.303 45.100 -0.710 0.000 0.952 121 G HN 0.874 nan 8.290 nan 0.000 0.441 122 C N 3.566 122.470 119.300 -0.660 0.000 2.200 122 C HA 0.420 4.888 4.460 0.013 0.000 0.328 122 C C -0.369 174.679 174.990 0.097 0.000 1.148 122 C CA -0.937 57.753 59.018 -0.547 0.000 1.624 122 C CB -1.888 25.121 27.740 -1.219 0.000 2.167 122 C HN 0.628 nan 8.230 nan 0.000 0.484 123 Y N 2.042 122.737 120.300 0.659 0.000 2.387 123 Y HA 0.618 5.176 4.550 0.013 0.000 0.330 123 Y C 0.816 177.254 175.900 0.897 0.000 1.133 123 Y CA -0.041 58.537 58.100 0.796 0.000 1.152 123 Y CB 1.422 40.260 38.460 0.629 0.000 1.215 123 Y HN 0.664 nan 8.280 nan 0.000 0.466 124 S N 2.282 118.560 115.700 0.964 0.000 2.570 124 S HA 0.820 5.298 4.470 0.013 0.000 0.270 124 S C -2.063 172.604 174.600 0.110 0.000 1.149 124 S CA -0.761 57.749 58.200 0.517 0.000 0.837 124 S CB 2.093 65.475 63.200 0.303 0.000 1.124 124 S HN 0.578 nan 8.310 nan 0.000 0.465 125 L N 0.942 122.031 121.223 -0.223 0.000 2.565 125 L HA 0.664 5.012 4.340 0.013 0.000 0.261 125 L C -1.009 175.777 176.870 -0.139 0.000 0.932 125 L CA 0.155 54.704 54.840 -0.485 0.000 0.878 125 L CB 2.258 43.557 42.059 -1.266 0.000 1.333 125 L HN 0.957 nan 8.230 nan 0.000 0.409 126 T N 5.434 119.934 114.554 -0.089 0.000 2.749 126 T HA 0.729 5.087 4.350 0.013 0.000 0.287 126 T C -0.678 174.045 174.700 0.037 0.000 0.970 126 T CA 0.006 62.092 62.100 -0.024 0.000 0.980 126 T CB 0.144 68.979 68.868 -0.055 0.000 0.924 126 T HN 0.435 nan 8.240 nan 0.000 0.456 127 F N 1.718 121.595 119.950 -0.122 0.000 2.726 127 F HA 0.846 5.381 4.527 0.013 0.000 0.324 127 F C -0.890 174.858 175.800 -0.087 0.000 1.140 127 F CA -1.467 56.465 58.000 -0.113 0.000 0.964 127 F CB 1.357 40.285 39.000 -0.121 0.000 1.399 127 F HN 0.482 nan 8.300 nan 0.000 0.491 128 N N -0.150 118.516 118.700 -0.056 0.000 2.571 128 N HA 0.686 5.434 4.740 0.013 0.000 0.273 128 N C -1.660 173.827 175.510 -0.038 0.000 1.340 128 N CA -0.499 52.452 53.050 -0.165 0.000 0.789 128 N CB 2.145 40.497 38.487 -0.225 0.000 1.514 128 N HN 1.061 nan 8.380 nan 0.000 0.499 129 V N -3.312 116.517 119.914 -0.142 0.000 2.962 129 V HA 0.562 4.690 4.120 0.013 0.000 0.313 129 V C -0.608 175.255 176.094 -0.386 0.000 1.099 129 V CA -1.007 61.120 62.300 -0.288 0.000 0.971 129 V CB 1.836 33.612 31.823 -0.077 0.000 1.028 129 V HN 0.843 nan 8.190 nan 0.000 0.430 130 D N 1.833 121.791 120.400 -0.738 0.000 2.533 130 D HA -0.048 4.600 4.640 0.013 0.000 0.236 130 D C 1.064 177.199 176.300 -0.276 0.000 1.137 130 D CA 0.815 54.474 54.000 -0.568 0.000 0.867 130 D CB 1.640 41.927 40.800 -0.854 0.000 1.170 130 D HN 0.933 nan 8.370 nan 0.000 0.474 131 E N 2.350 122.468 120.200 -0.137 0.000 2.114 131 E HA -0.260 4.098 4.350 0.013 0.000 0.199 131 E C 1.840 178.459 176.600 0.033 0.000 1.008 131 E CA 2.224 58.601 56.400 -0.039 0.000 0.810 131 E CB -0.271 29.412 29.700 -0.028 0.000 0.739 131 E HN 0.508 nan 8.360 nan 0.000 0.456 132 S N -0.982 114.749 115.700 0.051 0.000 2.440 132 S HA -0.170 4.308 4.470 0.013 0.000 0.238 132 S C 1.682 176.419 174.600 0.229 0.000 1.010 132 S CA 1.072 59.356 58.200 0.140 0.000 0.972 132 S CB -0.770 62.522 63.200 0.154 0.000 0.774 132 S HN 0.409 nan 8.310 nan 0.000 0.501 133 W N 1.366 122.556 121.300 -0.185 0.000 2.519 133 W HA 0.383 5.051 4.660 0.013 0.000 0.266 133 W C 1.818 178.325 176.519 -0.022 0.000 1.253 133 W CA -0.471 56.718 57.345 -0.260 0.000 1.274 133 W CB -0.799 28.483 29.460 -0.296 0.000 1.114 133 W HN 0.335 nan 8.180 nan 0.000 0.596 134 L N -0.539 120.810 121.223 0.209 0.000 2.446 134 L HA -0.006 4.342 4.340 0.013 0.000 0.219 134 L C 2.391 179.337 176.870 0.127 0.000 1.116 134 L CA 0.583 55.514 54.840 0.151 0.000 0.844 134 L CB -0.494 41.616 42.059 0.085 0.000 0.970 134 L HN -0.052 nan 8.230 nan 0.000 0.457 135 Q N -0.159 119.720 119.800 0.132 0.000 1.965 135 Q HA -0.022 4.326 4.340 0.013 0.000 0.200 135 Q C 0.146 176.216 176.000 0.117 0.000 0.981 135 Q CA 1.119 56.987 55.803 0.107 0.000 0.834 135 Q CB 0.509 29.310 28.738 0.105 0.000 0.900 135 Q HN 0.347 nan 8.270 nan 0.000 0.426 136 E N -2.501 117.798 120.200 0.164 0.000 2.449 136 E HA 0.479 4.836 4.350 0.013 0.000 0.278 136 E C -0.646 176.088 176.600 0.223 0.000 1.059 136 E CA 0.011 56.498 56.400 0.146 0.000 0.854 136 E CB 1.431 31.195 29.700 0.106 0.000 1.465 136 E HN 0.350 nan 8.360 nan 0.000 0.462 137 G N 0.911 109.751 108.800 0.068 0.000 2.756 137 G HA2 -0.194 3.774 3.960 0.013 0.000 0.678 137 G HA3 -0.194 3.774 3.960 0.013 0.000 0.678 137 G C -0.817 173.994 174.900 -0.148 0.000 1.349 137 G CA -0.212 44.801 45.100 -0.145 0.000 0.847 137 G HN 0.454 nan 8.290 nan 0.000 0.548 138 Q N -0.055 119.536 119.800 -0.348 0.000 2.325 138 Q HA 0.614 4.962 4.340 0.013 0.000 0.262 138 Q C -0.686 175.190 176.000 -0.207 0.000 0.968 138 Q CA -0.417 55.276 55.803 -0.183 0.000 0.877 138 Q CB 1.096 29.749 28.738 -0.142 0.000 1.253 138 Q HN 0.583 nan 8.270 nan 0.000 0.448 139 T N 5.630 120.188 114.554 0.006 0.000 2.756 139 T HA 0.454 4.812 4.350 0.013 0.000 0.290 139 T C -0.507 174.235 174.700 0.069 0.000 0.985 139 T CA -0.620 61.507 62.100 0.046 0.000 0.955 139 T CB 0.450 69.458 68.868 0.234 0.000 0.930 139 T HN 0.631 nan 8.240 nan 0.000 0.451 140 R N 2.782 123.293 120.500 0.019 0.000 2.803 140 R HA 0.756 5.104 4.340 0.013 0.000 0.276 140 R C -1.096 175.228 176.300 0.041 0.000 0.978 140 R CA -1.007 55.124 56.100 0.051 0.000 0.939 140 R CB 1.523 31.838 30.300 0.025 0.000 1.179 140 R HN 0.546 nan 8.270 nan 0.000 0.472 141 I N 2.780 123.390 120.570 0.068 0.000 2.392 141 I HA 0.407 4.585 4.170 0.013 0.000 0.295 141 I C -0.953 175.142 176.117 -0.036 0.000 0.985 141 I CA -1.131 60.158 61.300 -0.019 0.000 1.221 141 I CB 1.082 39.063 38.000 -0.032 0.000 1.366 141 I HN 0.596 nan 8.210 nan 0.000 0.467 142 I N 7.587 128.022 120.570 -0.225 0.000 2.418 142 I HA 0.289 4.467 4.170 0.013 0.000 0.287 142 I C -1.273 174.584 176.117 -0.432 0.000 1.008 142 I CA -0.409 60.779 61.300 -0.187 0.000 1.104 142 I CB 1.415 39.341 38.000 -0.124 0.000 1.264 142 I HN 0.406 nan 8.210 nan 0.000 0.438 143 F N 4.490 124.405 119.950 -0.060 0.000 2.308 143 F HA 0.279 4.814 4.527 0.013 0.000 0.370 143 F C 1.306 176.975 175.800 -0.218 0.000 1.100 143 F CA -0.525 57.364 58.000 -0.184 0.000 1.108 143 F CB 0.836 39.679 39.000 -0.262 0.000 1.293 143 F HN 0.456 nan 8.300 nan 0.000 0.478 144 D N 2.335 122.643 120.400 -0.153 0.000 2.263 144 D HA 0.023 4.670 4.640 0.013 0.000 0.208 144 D C 0.993 177.119 176.300 -0.290 0.000 0.971 144 D CA 1.003 54.865 54.000 -0.231 0.000 0.867 144 D CB 0.368 40.975 40.800 -0.321 0.000 0.929 144 D HN 0.644 nan 8.370 nan 0.000 0.492 145 G N -0.665 107.908 108.800 -0.378 0.000 2.682 145 G HA2 0.427 4.395 3.960 0.013 0.000 0.300 145 G HA3 0.427 4.395 3.960 0.013 0.000 0.300 145 G C -1.568 173.061 174.900 -0.453 0.000 1.396 145 G CA -0.497 44.301 45.100 -0.504 0.000 1.104 145 G HN -0.055 nan 8.290 nan 0.000 0.587 146 V N 2.232 122.053 119.914 -0.154 0.000 2.569 146 V HA 0.536 4.664 4.120 0.013 0.000 0.301 146 V C -0.834 175.304 176.094 0.072 0.000 1.044 146 V CA -1.191 61.024 62.300 -0.141 0.000 0.874 146 V CB 1.952 33.463 31.823 -0.519 0.000 1.002 146 V HN 0.721 nan 8.190 nan 0.000 0.424 147 N N 2.499 121.240 118.700 0.068 0.000 2.476 147 N HA 0.339 5.087 4.740 0.013 0.000 0.257 147 N C 0.567 175.988 175.510 -0.149 0.000 0.970 147 N CA 0.242 53.262 53.050 -0.050 0.000 0.938 147 N CB 2.139 40.485 38.487 -0.235 0.000 1.144 147 N HN 0.710 nan 8.380 nan 0.000 0.500 148 S N 2.062 117.719 115.700 -0.072 0.000 2.559 148 S HA 0.563 5.041 4.470 0.013 0.000 0.226 148 S C 0.185 174.830 174.600 0.075 0.000 1.030 148 S CA 0.150 58.361 58.200 0.018 0.000 0.956 148 S CB 0.278 63.502 63.200 0.040 0.000 0.900 148 S HN 0.643 nan 8.310 nan 0.000 0.510 149 A N 0.813 123.682 122.820 0.082 0.000 2.604 149 A HA 0.749 5.077 4.320 0.013 0.000 0.295 149 A C -1.293 176.350 177.584 0.098 0.000 1.067 149 A CA -0.902 51.150 52.037 0.026 0.000 0.683 149 A CB 0.848 19.896 19.000 0.080 0.000 1.281 149 A HN 1.147 nan 8.150 nan 0.000 0.407 150 F N -0.325 119.416 119.950 -0.348 0.000 2.678 150 F HA 0.744 5.279 4.527 0.013 0.000 0.308 150 F C -1.158 174.522 175.800 -0.200 0.000 1.118 150 F CA -0.755 57.143 58.000 -0.170 0.000 0.959 150 F CB 1.175 40.056 39.000 -0.198 0.000 1.305 150 F HN 0.617 nan 8.300 nan 0.000 0.443 151 H N 2.223 121.444 119.070 0.252 0.000 2.472 151 H HA 0.702 5.266 4.556 0.013 0.000 0.338 151 H C -1.390 173.846 175.328 -0.153 0.000 1.133 151 H CA -0.669 55.383 56.048 0.007 0.000 1.216 151 H CB 2.394 32.142 29.762 -0.024 0.000 1.497 151 H HN 0.802 nan 8.280 nan 0.000 0.500 152 L N 3.472 124.399 121.223 -0.494 0.000 2.385 152 L HA 0.407 4.755 4.340 0.013 0.000 0.273 152 L C -1.648 174.861 176.870 -0.602 0.000 0.990 152 L CA -0.467 54.147 54.840 -0.376 0.000 0.821 152 L CB 1.392 43.197 42.059 -0.423 0.000 1.279 152 L HN 0.510 nan 8.230 nan 0.000 0.412 153 W N 4.407 125.656 121.300 -0.085 0.000 2.844 153 W HA 0.627 5.295 4.660 0.013 0.000 0.340 153 W C -1.158 175.303 176.519 -0.096 0.000 1.093 153 W CA -0.831 56.456 57.345 -0.097 0.000 1.212 153 W CB 2.035 31.474 29.460 -0.036 0.000 1.422 153 W HN 0.662 nan 8.180 nan 0.000 0.515 154 C N 4.412 123.813 119.300 0.168 0.000 2.481 154 C HA 0.332 4.800 4.460 0.013 0.000 0.324 154 C C 0.110 175.227 174.990 0.212 0.000 1.170 154 C CA -0.386 58.730 59.018 0.164 0.000 1.361 154 C CB -0.249 27.556 27.740 0.108 0.000 1.977 154 C HN 0.812 nan 8.230 nan 0.000 0.459 155 N N 3.578 122.362 118.700 0.140 0.000 2.727 155 N HA -0.181 4.566 4.740 0.013 0.000 0.249 155 N C 0.983 176.557 175.510 0.106 0.000 1.048 155 N CA 2.121 55.227 53.050 0.094 0.000 0.714 155 N CB -1.324 37.228 38.487 0.108 0.000 0.959 155 N HN 2.020 nan 8.380 nan 0.000 0.544 156 G N -1.057 107.793 108.800 0.083 0.000 2.184 156 G HA2 -0.380 3.588 3.960 0.013 0.000 0.264 156 G HA3 -0.380 3.588 3.960 0.013 0.000 0.264 156 G C 0.163 175.198 174.900 0.225 0.000 0.975 156 G CA 0.672 45.813 45.100 0.068 0.000 0.642 156 G HN 0.574 nan 8.290 nan 0.000 0.536 157 R N -0.822 119.876 120.500 0.330 0.000 2.294 157 R HA 0.379 4.727 4.340 0.013 0.000 0.319 157 R C -0.077 176.538 176.300 0.525 0.000 0.984 157 R CA -0.980 55.383 56.100 0.438 0.000 0.861 157 R CB 0.613 31.189 30.300 0.460 0.000 1.104 157 R HN 0.230 nan 8.270 nan 0.000 0.451 158 W N 4.684 126.195 121.300 0.353 0.000 2.264 158 W HA -0.001 4.667 4.660 0.013 0.000 0.331 158 W C 0.071 176.522 176.519 -0.113 0.000 1.364 158 W CA 0.123 57.422 57.345 -0.077 0.000 1.253 158 W CB 0.628 30.015 29.460 -0.121 0.000 1.215 158 W HN 0.359 nan 8.180 nan 0.000 0.561 159 V N 5.511 124.697 119.914 -1.214 0.000 2.490 159 V HA 0.523 4.651 4.120 0.013 0.000 0.238 159 V C 1.154 176.202 176.094 -1.742 0.000 1.056 159 V CA 1.182 62.703 62.300 -1.299 0.000 1.075 159 V CB -0.661 30.484 31.823 -1.129 0.000 0.746 159 V HN 0.840 nan 8.190 nan 0.000 0.479 160 G N -1.878 105.677 108.800 -2.075 0.000 2.341 160 G HA2 0.457 4.425 3.960 0.013 0.000 0.299 160 G HA3 0.457 4.425 3.960 0.013 0.000 0.299 160 G C -2.354 172.093 174.900 -0.755 0.000 1.274 160 G CA -0.140 44.131 45.100 -1.382 0.000 0.853 160 G HN 0.084 nan 8.290 nan 0.000 0.493 161 Y N -0.600 119.430 120.300 -0.450 0.000 2.625 161 Y HA 0.728 5.286 4.550 0.013 0.000 0.338 161 Y C -0.110 175.546 175.900 -0.407 0.000 1.123 161 Y CA -0.059 57.714 58.100 -0.545 0.000 1.046 161 Y CB 2.168 40.454 38.460 -0.289 0.000 1.299 161 Y HN 1.330 nan 8.280 nan 0.000 0.464 162 G N 2.921 110.846 108.800 -1.458 0.000 2.718 162 G HA2 0.566 4.534 3.960 0.013 0.000 0.295 162 G HA3 0.566 4.534 3.960 0.013 0.000 0.295 162 G C -2.196 172.220 174.900 -0.807 0.000 1.421 162 G CA -0.885 43.648 45.100 -0.946 0.000 0.902 162 G HN 0.640 nan 8.290 nan 0.000 0.501 163 Q N -0.297 119.298 119.800 -0.342 0.000 2.552 163 Q HA 0.598 4.946 4.340 0.013 0.000 0.289 163 Q C -1.342 174.656 176.000 -0.004 0.000 1.097 163 Q CA -0.825 54.910 55.803 -0.114 0.000 0.812 163 Q CB 2.598 31.316 28.738 -0.033 0.000 1.460 163 Q HN 0.641 nan 8.270 nan 0.000 0.452 164 D N -0.151 120.282 120.400 0.055 0.000 4.303 164 D HA -0.094 4.554 4.640 0.013 0.000 0.230 164 D C -0.556 175.799 176.300 0.092 0.000 1.172 164 D CA 0.429 54.475 54.000 0.077 0.000 1.001 164 D CB -0.632 40.199 40.800 0.052 0.000 0.641 164 D HN 0.543 nan 8.370 nan 0.000 0.296 165 S N 3.265 119.034 115.700 0.114 0.000 2.595 165 S HA -0.044 4.434 4.470 0.013 0.000 0.235 165 S C 1.520 176.233 174.600 0.188 0.000 0.974 165 S CA 0.459 58.753 58.200 0.156 0.000 0.942 165 S CB 0.290 63.569 63.200 0.130 0.000 0.766 165 S HN 0.473 nan 8.310 nan 0.000 0.536 166 R N 0.139 120.716 120.500 0.129 0.000 2.565 166 R HA 0.419 4.767 4.340 0.013 0.000 0.347 166 R C -0.478 175.868 176.300 0.077 0.000 1.010 166 R CA 0.043 56.219 56.100 0.127 0.000 1.126 166 R CB 0.299 30.693 30.300 0.157 0.000 1.331 166 R HN 0.321 nan 8.270 nan 0.000 0.552 167 L N 1.809 123.052 121.223 0.034 0.000 2.354 167 L HA 0.511 4.859 4.340 0.013 0.000 0.264 167 L C -2.350 174.492 176.870 -0.046 0.000 1.008 167 L CA -2.349 52.484 54.840 -0.013 0.000 0.819 167 L CB 2.678 44.726 42.059 -0.018 0.000 1.339 167 L HN -0.217 nan 8.230 nan 0.000 0.420 168 P HA 0.069 nan 4.420 nan 0.000 0.268 168 P C -0.937 176.331 177.300 -0.053 0.000 1.204 168 P CA -0.107 62.942 63.100 -0.084 0.000 0.768 168 P CB 0.923 32.535 31.700 -0.147 0.000 0.842 169 S N 2.014 117.746 115.700 0.053 0.000 2.498 169 S HA 0.335 4.813 4.470 0.013 0.000 0.317 169 S C -0.387 174.154 174.600 -0.099 0.000 1.090 169 S CA -0.605 57.587 58.200 -0.013 0.000 1.089 169 S CB 0.782 64.159 63.200 0.294 0.000 0.997 169 S HN 0.377 nan 8.310 nan 0.000 0.470 170 E N 2.119 122.063 120.200 -0.427 0.000 2.288 170 E HA 0.645 5.003 4.350 0.013 0.000 0.268 170 E C -1.428 174.751 176.600 -0.702 0.000 0.885 170 E CA -0.742 55.468 56.400 -0.316 0.000 0.767 170 E CB 1.681 31.318 29.700 -0.105 0.000 1.220 170 E HN 0.398 nan 8.360 nan 0.000 0.427 171 F N 0.235 120.233 119.950 0.080 0.000 2.576 171 F HA 0.250 4.785 4.527 0.013 0.000 0.313 171 F C -0.212 175.595 175.800 0.012 0.000 1.078 171 F CA -1.169 56.839 58.000 0.014 0.000 0.921 171 F CB 1.549 40.522 39.000 -0.045 0.000 1.232 171 F HN 0.302 nan 8.300 nan 0.000 0.459 172 D N 2.451 122.962 120.400 0.185 0.000 2.347 172 D HA 0.253 4.901 4.640 0.013 0.000 0.235 172 D C 0.346 176.774 176.300 0.214 0.000 1.149 172 D CA 0.127 54.222 54.000 0.159 0.000 0.850 172 D CB 0.972 41.856 40.800 0.140 0.000 1.061 172 D HN 0.574 nan 8.370 nan 0.000 0.487 173 L N 2.677 124.025 121.223 0.209 0.000 2.567 173 L HA -0.019 4.329 4.340 0.013 0.000 0.225 173 L C 2.149 179.278 176.870 0.431 0.000 1.119 173 L CA -0.110 54.902 54.840 0.287 0.000 0.871 173 L CB -0.090 42.111 42.059 0.238 0.000 1.036 173 L HN 0.312 nan 8.230 nan 0.000 0.459 174 S N 1.458 117.338 115.700 0.300 0.000 2.406 174 S HA -0.341 4.137 4.470 0.013 0.000 0.242 174 S C 1.977 176.699 174.600 0.202 0.000 1.079 174 S CA 2.030 60.368 58.200 0.229 0.000 1.133 174 S CB -0.321 62.966 63.200 0.144 0.000 1.005 174 S HN 0.581 nan 8.310 nan 0.000 0.443 175 A N -0.551 122.366 122.820 0.161 0.000 2.235 175 A HA 0.288 4.616 4.320 0.013 0.000 0.208 175 A C 1.303 178.771 177.584 -0.193 0.000 1.172 175 A CA 0.451 52.438 52.037 -0.082 0.000 0.786 175 A CB -0.511 18.291 19.000 -0.330 0.000 0.804 175 A HN 0.476 nan 8.150 nan 0.000 0.479 176 F N -0.573 119.432 119.950 0.091 0.000 2.678 176 F HA 0.324 4.859 4.527 0.013 0.000 0.291 176 F C 0.817 176.671 175.800 0.089 0.000 1.123 176 F CA -0.468 57.586 58.000 0.090 0.000 1.395 176 F CB -0.200 38.861 39.000 0.102 0.000 1.121 176 F HN -0.044 nan 8.300 nan 0.000 0.592 177 L N 2.593 123.985 121.223 0.281 0.000 2.483 177 L HA 0.189 4.537 4.340 0.013 0.000 0.276 177 L C 0.563 177.489 176.870 0.093 0.000 1.213 177 L CA 0.166 55.121 54.840 0.191 0.000 0.843 177 L CB 0.387 42.576 42.059 0.217 0.000 1.107 177 L HN 0.213 nan 8.230 nan 0.000 0.487 178 R N 2.396 122.910 120.500 0.023 0.000 2.855 178 R HA 0.788 5.136 4.340 0.013 0.000 0.266 178 R C -1.050 175.222 176.300 -0.046 0.000 1.034 178 R CA -0.847 55.249 56.100 -0.007 0.000 0.944 178 R CB 1.499 31.790 30.300 -0.014 0.000 1.219 178 R HN 0.532 nan 8.270 nan 0.000 0.474 179 A N 0.906 123.704 122.820 -0.036 0.000 2.462 179 A HA 0.489 4.816 4.320 0.013 0.000 0.243 179 A C 1.107 178.642 177.584 -0.080 0.000 1.076 179 A CA 0.904 52.911 52.037 -0.051 0.000 0.773 179 A CB -0.578 18.402 19.000 -0.033 0.000 1.010 179 A HN 1.382 nan 8.150 nan 0.000 0.493 180 G N 1.423 110.166 108.800 -0.095 0.000 2.543 180 G HA2 -0.224 3.743 3.960 0.013 0.000 0.286 180 G HA3 -0.224 3.743 3.960 0.013 0.000 0.286 180 G C -0.006 174.796 174.900 -0.162 0.000 1.153 180 G CA 0.428 45.463 45.100 -0.108 0.000 0.968 180 G HN 1.006 nan 8.290 nan 0.000 0.544 181 E N 2.178 122.285 120.200 -0.155 0.000 2.289 181 E HA 0.371 4.728 4.350 0.013 0.000 0.278 181 E C -0.179 176.257 176.600 -0.274 0.000 1.032 181 E CA -0.225 56.050 56.400 -0.209 0.000 0.854 181 E CB 0.568 30.181 29.700 -0.145 0.000 1.046 181 E HN 0.436 nan 8.360 nan 0.000 0.409 182 N N 2.670 121.077 118.700 -0.489 0.000 2.272 182 N HA 0.373 5.121 4.740 0.013 0.000 0.305 182 N C -0.781 174.509 175.510 -0.367 0.000 1.103 182 N CA -0.720 52.006 53.050 -0.540 0.000 0.791 182 N CB 2.261 40.227 38.487 -0.869 0.000 1.356 182 N HN 0.234 nan 8.380 nan 0.000 0.486 183 R N 2.145 122.597 120.500 -0.081 0.000 2.409 183 R HA 0.426 4.774 4.340 0.013 0.000 0.313 183 R C -1.180 175.197 176.300 0.128 0.000 0.953 183 R CA -0.427 55.692 56.100 0.032 0.000 0.849 183 R CB 0.656 30.929 30.300 -0.044 0.000 1.171 183 R HN 0.487 nan 8.270 nan 0.000 0.458 184 L N 3.164 124.494 121.223 0.179 0.000 2.334 184 L HA 0.691 5.038 4.340 0.013 0.000 0.277 184 L C -0.115 176.804 176.870 0.082 0.000 1.075 184 L CA -0.822 54.122 54.840 0.173 0.000 0.804 184 L CB 1.847 44.008 42.059 0.169 0.000 1.174 184 L HN 0.761 nan 8.230 nan 0.000 0.438 185 A N 3.371 126.235 122.820 0.072 0.000 2.340 185 A HA 0.682 5.010 4.320 0.013 0.000 0.297 185 A C -0.933 176.858 177.584 0.345 0.000 1.195 185 A CA -0.436 51.468 52.037 -0.221 0.000 0.769 185 A CB 1.210 19.498 19.000 -1.188 0.000 1.163 185 A HN 0.377 nan 8.150 nan 0.000 0.472 186 V N 3.740 124.091 119.914 0.729 0.000 2.350 186 V HA 0.416 4.544 4.120 0.013 0.000 0.285 186 V C 0.083 176.849 176.094 1.119 0.000 1.014 186 V CA -0.278 62.526 62.300 0.840 0.000 0.831 186 V CB 1.350 33.465 31.823 0.488 0.000 1.000 186 V HN 0.946 nan 8.190 nan 0.000 0.433 187 M N 6.339 126.620 119.600 1.135 0.000 2.055 187 M HA 0.508 4.996 4.480 0.013 0.000 0.347 187 M C -1.359 175.226 176.300 0.475 0.000 1.123 187 M CA -0.297 55.407 55.300 0.674 0.000 1.035 187 M CB 0.949 34.002 32.600 0.756 0.000 1.484 187 M HN 0.470 nan 8.290 nan 0.000 0.428 188 V N 6.491 126.643 119.914 0.397 0.000 2.427 188 V HA 0.398 4.526 4.120 0.013 0.000 0.286 188 V C -0.296 175.974 176.094 0.292 0.000 1.034 188 V CA -0.722 61.803 62.300 0.374 0.000 0.893 188 V CB 1.562 33.695 31.823 0.516 0.000 0.982 188 V HN 0.760 nan 8.190 nan 0.000 0.452 189 L N 4.805 126.120 121.223 0.152 0.000 2.272 189 L HA 0.539 4.887 4.340 0.013 0.000 0.289 189 L C 1.456 178.333 176.870 0.012 0.000 1.032 189 L CA -0.206 54.645 54.840 0.018 0.000 0.810 189 L CB 0.912 42.863 42.059 -0.180 0.000 1.205 189 L HN 0.604 nan 8.230 nan 0.000 0.422 190 R N 3.016 123.484 120.500 -0.054 0.000 2.073 190 R HA -0.055 4.292 4.340 0.013 0.000 0.234 190 R C -0.364 175.635 176.300 -0.501 0.000 1.134 190 R CA 1.291 57.128 56.100 -0.437 0.000 0.952 190 R CB 0.175 30.082 30.300 -0.655 0.000 0.850 190 R HN 0.600 nan 8.270 nan 0.000 0.433 191 W N 0.296 121.657 121.300 0.101 0.000 2.606 191 W HA 0.436 5.103 4.660 0.013 0.000 0.332 191 W C -0.327 176.294 176.519 0.170 0.000 1.052 191 W CA -0.842 56.569 57.345 0.111 0.000 1.223 191 W CB 1.723 31.251 29.460 0.114 0.000 1.383 191 W HN 0.041 nan 8.180 nan 0.000 0.524 192 S N -0.999 114.969 115.700 0.447 0.000 2.688 192 S HA 0.238 4.715 4.470 0.013 0.000 0.275 192 S C 0.154 175.004 174.600 0.417 0.000 1.175 192 S CA -0.432 58.043 58.200 0.458 0.000 0.818 192 S CB 1.234 64.666 63.200 0.386 0.000 1.157 192 S HN 0.642 nan 8.310 nan 0.000 0.482 193 D N 0.300 120.955 120.400 0.426 0.000 2.263 193 D HA 0.062 4.710 4.640 0.013 0.000 0.208 193 D C 1.752 178.362 176.300 0.516 0.000 0.971 193 D CA 1.137 55.429 54.000 0.488 0.000 0.867 193 D CB -0.670 40.284 40.800 0.258 0.000 0.929 193 D HN 0.694 nan 8.370 nan 0.000 0.492 194 G N 0.042 109.059 108.800 0.361 0.000 2.470 194 G HA2 -0.256 3.712 3.960 0.013 0.000 0.220 194 G HA3 -0.256 3.712 3.960 0.013 0.000 0.220 194 G C 1.712 176.805 174.900 0.321 0.000 1.121 194 G CA 0.653 45.943 45.100 0.316 0.000 0.766 194 G HN 0.294 nan 8.290 nan 0.000 0.553 195 S N -0.118 115.757 115.700 0.291 0.000 2.400 195 S HA -0.135 4.342 4.470 0.013 0.000 0.232 195 S C 1.933 176.644 174.600 0.185 0.000 1.025 195 S CA 0.886 59.223 58.200 0.228 0.000 0.993 195 S CB -0.415 62.903 63.200 0.197 0.000 0.808 195 S HN 0.570 nan 8.310 nan 0.000 0.478 196 Y N 1.189 121.638 120.300 0.249 0.000 2.333 196 Y HA -0.001 4.556 4.550 0.013 0.000 0.290 196 Y C 1.660 177.711 175.900 0.252 0.000 1.144 196 Y CA 0.755 58.924 58.100 0.115 0.000 1.228 196 Y CB -0.149 38.287 38.460 -0.040 0.000 0.985 196 Y HN 0.197 nan 8.280 nan 0.000 0.542 197 L N -0.260 121.195 121.223 0.386 0.000 2.628 197 L HA 0.101 4.448 4.340 0.013 0.000 0.229 197 L C -0.015 177.013 176.870 0.264 0.000 1.137 197 L CA 0.422 55.436 54.840 0.291 0.000 0.909 197 L CB -0.024 42.199 42.059 0.273 0.000 1.137 197 L HN 0.175 nan 8.230 nan 0.000 0.470 198 E N -0.390 119.979 120.200 0.282 0.000 3.167 198 E HA 0.029 4.387 4.350 0.013 0.000 0.210 198 E C -0.342 176.381 176.600 0.205 0.000 1.004 198 E CA -0.120 56.425 56.400 0.240 0.000 1.256 198 E CB 0.405 30.232 29.700 0.211 0.000 1.193 198 E HN 0.025 nan 8.360 nan 0.000 0.448 199 D N 1.386 121.875 120.400 0.150 0.000 2.663 199 D HA -0.002 4.646 4.640 0.013 0.000 0.243 199 D C -0.258 176.062 176.300 0.034 0.000 1.218 199 D CA 0.034 54.004 54.000 -0.051 0.000 0.846 199 D CB -0.010 40.486 40.800 -0.507 0.000 1.014 199 D HN 0.073 nan 8.370 nan 0.000 0.476 200 Q N 0.381 120.292 119.800 0.185 0.000 2.395 200 Q HA 0.101 4.449 4.340 0.013 0.000 0.271 200 Q C 0.015 176.161 176.000 0.244 0.000 1.026 200 Q CA 0.065 56.051 55.803 0.305 0.000 0.900 200 Q CB 0.516 29.576 28.738 0.537 0.000 1.266 200 Q HN 0.044 nan 8.270 nan 0.000 0.430 201 D N 2.895 123.485 120.400 0.315 0.000 2.489 201 D HA 0.170 4.818 4.640 0.013 0.000 0.237 201 D C -0.746 175.739 176.300 0.310 0.000 1.212 201 D CA 0.150 54.326 54.000 0.293 0.000 1.058 201 D CB -0.513 40.496 40.800 0.348 0.000 1.098 201 D HN 0.513 nan 8.370 nan 0.000 0.509 202 M N 0.135 119.872 119.600 0.229 0.000 3.069 202 M HA 0.367 4.855 4.480 0.013 0.000 0.274 202 M C -1.374 175.010 176.300 0.141 0.000 1.146 202 M CA -1.150 54.197 55.300 0.079 0.000 0.807 202 M CB 1.012 33.561 32.600 -0.086 0.000 1.621 202 M HN -0.109 nan 8.290 nan 0.000 0.521 203 W N 1.845 123.205 121.300 0.100 0.000 2.193 203 W HA 0.337 5.005 4.660 0.013 0.000 0.338 203 W C 0.261 176.787 176.519 0.011 0.000 1.310 203 W CA 0.029 57.423 57.345 0.083 0.000 1.243 203 W CB 0.349 29.794 29.460 -0.026 0.000 1.165 203 W HN 0.295 nan 8.180 nan 0.000 0.566 204 R N 4.479 125.153 120.500 0.291 0.000 2.215 204 R HA 0.443 4.791 4.340 0.013 0.000 0.337 204 R C -0.202 176.108 176.300 0.016 0.000 1.010 204 R CA -0.337 55.857 56.100 0.157 0.000 0.871 204 R CB 0.410 30.887 30.300 0.295 0.000 1.134 204 R HN 0.553 nan 8.270 nan 0.000 0.477 205 M N 0.261 119.758 119.600 -0.171 0.000 2.792 205 M HA 0.536 5.023 4.480 0.013 0.000 0.290 205 M C 0.081 176.044 176.300 -0.562 0.000 1.155 205 M CA -0.828 54.255 55.300 -0.361 0.000 0.781 205 M CB 2.251 34.623 32.600 -0.381 0.000 1.741 205 M HN 0.646 nan 8.290 nan 0.000 0.473 206 S N -1.297 113.929 115.700 -0.791 0.000 2.636 206 S HA 0.954 5.432 4.470 0.013 0.000 0.268 206 S C -0.546 173.448 174.600 -1.009 0.000 1.159 206 S CA -0.165 57.468 58.200 -0.944 0.000 0.815 206 S CB 1.641 64.148 63.200 -1.154 0.000 1.130 206 S HN 1.513 nan 8.310 nan 0.000 0.471 207 G N -0.075 108.313 108.800 -0.686 0.000 2.362 207 G HA2 0.150 4.118 3.960 0.013 0.000 0.517 207 G HA3 0.150 4.118 3.960 0.013 0.000 0.517 207 G C -1.411 173.400 174.900 -0.149 0.000 1.256 207 G CA -0.546 44.487 45.100 -0.112 0.000 1.027 207 G HN 1.216 nan 8.290 nan 0.000 0.491 208 I N 2.017 122.341 120.570 -0.410 0.000 2.268 208 I HA 0.305 4.483 4.170 0.013 0.000 0.290 208 I C 1.230 177.153 176.117 -0.323 0.000 1.125 208 I CA -0.339 60.641 61.300 -0.533 0.000 1.236 208 I CB 0.103 37.546 38.000 -0.928 0.000 1.469 208 I HN 0.541 nan 8.210 nan 0.000 0.512 209 F N 4.725 124.488 119.950 -0.312 0.000 2.754 209 F HA 0.409 4.944 4.527 0.013 0.000 0.297 209 F C 0.852 176.550 175.800 -0.169 0.000 1.122 209 F CA -0.284 57.575 58.000 -0.235 0.000 1.400 209 F CB 0.072 38.937 39.000 -0.226 0.000 1.117 209 F HN 0.125 nan 8.300 nan 0.000 0.587 210 R N 0.554 120.579 120.500 -0.793 0.000 2.960 210 R HA 0.235 4.583 4.340 0.013 0.000 0.249 210 R C -0.660 175.421 176.300 -0.364 0.000 1.192 210 R CA -1.121 54.638 56.100 -0.567 0.000 1.035 210 R CB 0.522 30.411 30.300 -0.685 0.000 1.234 210 R HN -0.028 nan 8.270 nan 0.000 0.493 211 D N 0.812 121.051 120.400 -0.269 0.000 2.449 211 D HA 0.088 4.735 4.640 0.013 0.000 0.236 211 D C -0.519 175.639 176.300 -0.236 0.000 1.149 211 D CA 0.426 54.306 54.000 -0.200 0.000 0.878 211 D CB 0.824 41.548 40.800 -0.127 0.000 1.198 211 D HN -0.006 nan 8.370 nan 0.000 0.446 212 V N 1.320 121.105 119.914 -0.215 0.000 2.448 212 V HA 0.514 4.642 4.120 0.013 0.000 0.295 212 V C 0.165 176.141 176.094 -0.198 0.000 1.025 212 V CA -0.580 61.538 62.300 -0.304 0.000 0.859 212 V CB 1.511 33.173 31.823 -0.268 0.000 0.988 212 V HN 0.714 nan 8.190 nan 0.000 0.431 213 S N 4.940 120.488 115.700 -0.252 0.000 2.588 213 S HA 0.837 5.314 4.470 0.013 0.000 0.275 213 S C -1.280 173.240 174.600 -0.134 0.000 1.130 213 S CA -0.900 57.217 58.200 -0.137 0.000 0.855 213 S CB 1.857 65.008 63.200 -0.081 0.000 1.116 213 S HN 0.468 nan 8.310 nan 0.000 0.472 214 L N 1.861 123.067 121.223 -0.028 0.000 2.313 214 L HA 0.672 5.020 4.340 0.013 0.000 0.283 214 L C -1.252 175.671 176.870 0.087 0.000 1.013 214 L CA -0.843 54.032 54.840 0.058 0.000 0.816 214 L CB 1.622 43.813 42.059 0.221 0.000 1.236 214 L HN 0.689 nan 8.230 nan 0.000 0.419 215 L N 3.531 124.752 121.223 -0.003 0.000 2.376 215 L HA 0.408 4.756 4.340 0.013 0.000 0.275 215 L C -0.655 176.082 176.870 -0.222 0.000 0.987 215 L CA -0.105 54.685 54.840 -0.083 0.000 0.828 215 L CB 1.301 43.333 42.059 -0.046 0.000 1.249 215 L HN 0.503 nan 8.230 nan 0.000 0.409 216 H N 5.829 124.560 119.070 -0.565 0.000 2.641 216 H HA 0.394 4.958 4.556 0.013 0.000 0.295 216 H C -1.075 173.985 175.328 -0.447 0.000 1.070 216 H CA -0.595 54.987 56.048 -0.778 0.000 1.257 216 H CB 0.737 29.461 29.762 -1.729 0.000 1.393 216 H HN 0.552 nan 8.280 nan 0.000 0.464 217 K N 5.340 125.380 120.400 -0.601 0.000 2.166 217 K HA 0.387 4.715 4.320 0.013 0.000 0.245 217 K C -2.655 173.626 176.600 -0.531 0.000 0.967 217 K CA -1.991 54.020 56.287 -0.460 0.000 0.863 217 K CB 1.707 34.031 32.500 -0.294 0.000 1.107 217 K HN 0.485 nan 8.250 nan 0.000 0.436 218 P HA 0.058 nan 4.420 nan 0.000 0.274 218 P C 0.683 177.869 177.300 -0.190 0.000 1.237 218 P CA -0.094 62.861 63.100 -0.242 0.000 0.793 218 P CB 0.292 31.909 31.700 -0.138 0.000 0.977 219 T N -2.513 111.958 114.554 -0.138 0.000 2.788 219 T HA -0.054 4.304 4.350 0.013 0.000 0.268 219 T C 0.674 175.318 174.700 -0.093 0.000 1.044 219 T CA 1.343 63.383 62.100 -0.100 0.000 1.139 219 T CB -0.956 67.873 68.868 -0.064 0.000 0.867 219 T HN 0.312 nan 8.240 nan 0.000 0.454 220 T N 3.242 117.745 114.554 -0.085 0.000 2.801 220 T HA 0.502 4.860 4.350 0.013 0.000 0.306 220 T C -0.404 174.242 174.700 -0.089 0.000 1.020 220 T CA -0.805 61.243 62.100 -0.087 0.000 0.948 220 T CB 0.877 69.708 68.868 -0.062 0.000 0.962 220 T HN 0.681 nan 8.240 nan 0.000 0.465 221 Q N 2.438 122.173 119.800 -0.109 0.000 2.565 221 Q HA 0.599 4.947 4.340 0.013 0.000 0.294 221 Q C -1.193 174.742 176.000 -0.108 0.000 1.005 221 Q CA -1.182 54.549 55.803 -0.119 0.000 0.771 221 Q CB 1.261 29.902 28.738 -0.161 0.000 1.486 221 Q HN 0.438 nan 8.270 nan 0.000 0.422 222 I N 2.811 123.294 120.570 -0.144 0.000 2.494 222 I HA -0.005 4.173 4.170 0.013 0.000 0.289 222 I C 0.856 176.851 176.117 -0.204 0.000 1.106 222 I CA 0.141 61.360 61.300 -0.135 0.000 1.369 222 I CB 0.904 38.768 38.000 -0.226 0.000 1.410 222 I HN 0.870 nan 8.210 nan 0.000 0.523 223 S N 2.924 118.620 115.700 -0.008 0.000 2.517 223 S HA 0.164 4.642 4.470 0.013 0.000 0.214 223 S C 0.180 174.987 174.600 0.344 0.000 0.991 223 S CA -0.198 58.064 58.200 0.104 0.000 0.906 223 S CB 0.259 63.482 63.200 0.038 0.000 0.789 223 S HN 0.740 nan 8.310 nan 0.000 0.513 224 D N -0.531 120.086 120.400 0.361 0.000 2.798 224 D HA 0.463 5.110 4.640 0.013 0.000 0.265 224 D C -1.822 174.673 176.300 0.324 0.000 1.223 224 D CA -0.700 53.533 54.000 0.389 0.000 0.743 224 D CB 0.998 41.891 40.800 0.155 0.000 1.276 224 D HN 0.241 nan 8.370 nan 0.000 0.421 225 F N -0.853 119.158 119.950 0.102 0.000 2.688 225 F HA 0.639 5.174 4.527 0.013 0.000 0.308 225 F C -1.642 174.208 175.800 0.083 0.000 1.117 225 F CA -0.812 57.168 58.000 -0.034 0.000 0.976 225 F CB 1.298 40.326 39.000 0.046 0.000 1.291 225 F HN 0.287 nan 8.300 nan 0.000 0.439 226 H N 1.399 120.550 119.070 0.136 0.000 2.667 226 H HA 0.736 5.300 4.556 0.013 0.000 0.353 226 H C -1.407 173.976 175.328 0.092 0.000 1.072 226 H CA -1.476 54.580 56.048 0.014 0.000 1.214 226 H CB 2.618 32.366 29.762 -0.023 0.000 1.600 226 H HN 0.610 nan 8.280 nan 0.000 0.527 227 V N 2.299 122.322 119.914 0.182 0.000 2.448 227 V HA 0.700 4.828 4.120 0.013 0.000 0.295 227 V C -0.249 175.843 176.094 -0.004 0.000 1.025 227 V CA -0.544 61.811 62.300 0.093 0.000 0.859 227 V CB 1.259 33.135 31.823 0.088 0.000 0.988 227 V HN 0.933 nan 8.190 nan 0.000 0.431 228 A N 3.285 126.078 122.820 -0.045 0.000 2.435 228 A HA 0.956 5.284 4.320 0.013 0.000 0.304 228 A C -0.209 177.273 177.584 -0.171 0.000 1.064 228 A CA -0.510 51.476 52.037 -0.085 0.000 0.727 228 A CB 2.118 21.093 19.000 -0.043 0.000 1.284 228 A HN 0.924 nan 8.150 nan 0.000 0.415 229 T N -0.185 114.248 114.554 -0.202 0.000 2.841 229 T HA 0.741 5.099 4.350 0.013 0.000 0.285 229 T C -0.543 173.946 174.700 -0.353 0.000 0.991 229 T CA -0.684 61.204 62.100 -0.353 0.000 0.966 229 T CB 1.048 69.617 68.868 -0.498 0.000 0.962 229 T HN 0.699 nan 8.240 nan 0.000 0.438 230 R N 1.941 122.153 120.500 -0.479 0.000 2.711 230 R HA 0.777 5.124 4.340 0.013 0.000 0.284 230 R C -1.181 174.745 176.300 -0.623 0.000 0.968 230 R CA -0.767 55.126 56.100 -0.346 0.000 0.924 230 R CB 1.596 31.816 30.300 -0.133 0.000 1.162 230 R HN 0.556 nan 8.270 nan 0.000 0.465 231 F N 0.389 120.310 119.950 -0.048 0.000 2.611 231 F HA 0.352 4.886 4.527 0.012 0.000 0.324 231 F C 0.511 176.168 175.800 -0.238 0.000 1.061 231 F CA -1.177 56.735 58.000 -0.146 0.000 0.954 231 F CB 1.017 39.830 39.000 -0.312 0.000 1.301 231 F HN 0.524 nan 8.300 nan 0.000 0.482 232 N N -0.098 118.577 118.700 -0.041 0.000 2.364 232 N HA 0.064 4.812 4.740 0.013 0.000 0.264 232 N C 0.464 175.842 175.510 -0.221 0.000 1.263 232 N CA -0.240 52.754 53.050 -0.095 0.000 0.959 232 N CB 0.078 38.541 38.487 -0.039 0.000 1.204 232 N HN 0.656 nan 8.380 nan 0.000 0.550 233 D N -1.483 118.842 120.400 -0.126 0.000 2.228 233 D HA -0.231 4.417 4.640 0.013 0.000 0.203 233 D C 0.250 176.510 176.300 -0.067 0.000 0.988 233 D CA 1.522 55.458 54.000 -0.106 0.000 0.864 233 D CB -0.463 40.324 40.800 -0.022 0.000 0.928 233 D HN 0.744 nan 8.370 nan 0.000 0.469 234 D N -1.955 118.439 120.400 -0.011 0.000 2.469 234 D HA 0.029 4.677 4.640 0.013 0.000 0.215 234 D C 0.222 176.722 176.300 0.333 0.000 1.154 234 D CA -0.832 53.271 54.000 0.171 0.000 0.832 234 D CB -0.808 40.072 40.800 0.133 0.000 1.008 234 D HN 0.178 nan 8.370 nan 0.000 0.506 235 F N 0.437 120.448 119.950 0.102 0.000 2.884 235 F HA -0.291 4.243 4.527 0.011 0.000 0.294 235 F C 1.664 177.546 175.800 0.137 0.000 0.723 235 F CA 0.774 58.856 58.000 0.136 0.000 1.294 235 F CB -2.442 36.568 39.000 0.017 0.000 1.551 235 F HN 0.157 nan 8.300 nan 0.000 0.363 236 S N -1.324 114.491 115.700 0.193 0.000 2.496 236 S HA 0.172 4.650 4.470 0.013 0.000 0.224 236 S C 0.818 175.476 174.600 0.096 0.000 0.996 236 S CA 0.178 58.458 58.200 0.133 0.000 0.927 236 S CB 0.377 63.630 63.200 0.088 0.000 0.774 236 S HN 0.378 nan 8.310 nan 0.000 0.524 237 R N 0.409 120.965 120.500 0.093 0.000 2.744 237 R HA 0.822 5.170 4.340 0.013 0.000 0.279 237 R C -1.174 175.148 176.300 0.036 0.000 0.977 237 R CA -0.290 55.833 56.100 0.039 0.000 0.906 237 R CB 2.279 32.578 30.300 -0.000 0.000 1.197 237 R HN 0.286 nan 8.270 nan 0.000 0.463 238 A N 1.241 124.028 122.820 -0.055 0.000 2.566 238 A HA 0.739 5.067 4.320 0.013 0.000 0.292 238 A C -1.389 176.107 177.584 -0.145 0.000 1.112 238 A CA -0.606 51.315 52.037 -0.192 0.000 0.707 238 A CB 2.141 20.976 19.000 -0.275 0.000 1.302 238 A HN 0.329 nan 8.150 nan 0.000 0.409 239 V N 1.237 121.033 119.914 -0.197 0.000 2.525 239 V HA 0.419 4.547 4.120 0.013 0.000 0.299 239 V C -0.663 175.356 176.094 -0.124 0.000 1.034 239 V CA -0.309 61.920 62.300 -0.119 0.000 0.863 239 V CB 1.444 33.203 31.823 -0.106 0.000 0.999 239 V HN 0.817 nan 8.190 nan 0.000 0.423 240 L N 4.490 125.680 121.223 -0.055 0.000 2.265 240 L HA 0.633 4.981 4.340 0.013 0.000 0.288 240 L C -0.049 176.774 176.870 -0.078 0.000 1.058 240 L CA 0.061 54.844 54.840 -0.094 0.000 0.809 240 L CB 1.100 43.128 42.059 -0.052 0.000 1.179 240 L HN 0.793 nan 8.230 nan 0.000 0.429 241 E N 4.303 124.454 120.200 -0.081 0.000 2.191 241 E HA 0.675 5.033 4.350 0.013 0.000 0.263 241 E C -1.472 175.119 176.600 -0.016 0.000 0.881 241 E CA -0.703 55.669 56.400 -0.046 0.000 0.757 241 E CB 1.741 31.415 29.700 -0.044 0.000 1.147 241 E HN 0.715 nan 8.360 nan 0.000 0.414 242 A N 4.493 127.310 122.820 -0.005 0.000 2.335 242 A HA 0.334 4.662 4.320 0.013 0.000 0.304 242 A C -0.830 176.762 177.584 0.013 0.000 1.118 242 A CA -0.684 51.375 52.037 0.037 0.000 0.757 242 A CB 1.246 20.269 19.000 0.037 0.000 1.188 242 A HN 0.709 nan 8.150 nan 0.000 0.460 243 E N 2.601 122.812 120.200 0.018 0.000 2.167 243 E HA 0.524 4.882 4.350 0.013 0.000 0.284 243 E C -1.323 175.240 176.600 -0.062 0.000 1.016 243 E CA -0.283 56.089 56.400 -0.048 0.000 0.817 243 E CB 1.028 30.677 29.700 -0.086 0.000 1.080 243 E HN 0.391 nan 8.360 nan 0.000 0.397 244 V N 4.828 124.722 119.914 -0.033 0.000 2.604 244 V HA 0.303 4.431 4.120 0.013 0.000 0.305 244 V C -0.445 175.702 176.094 0.089 0.000 1.043 244 V CA -0.780 61.540 62.300 0.033 0.000 0.888 244 V CB 1.801 33.624 31.823 0.000 0.000 0.995 244 V HN 0.730 nan 8.190 nan 0.000 0.429 245 Q N 3.989 123.851 119.800 0.103 0.000 2.377 245 Q HA 0.836 5.184 4.340 0.013 0.000 0.271 245 Q C -0.853 175.217 176.000 0.117 0.000 1.077 245 Q CA -0.918 54.949 55.803 0.106 0.000 0.820 245 Q CB 2.784 31.516 28.738 -0.010 0.000 1.347 245 Q HN 0.808 nan 8.270 nan 0.000 0.444 246 M N -0.882 118.727 119.600 0.015 0.000 2.662 246 M HA 0.779 5.267 4.480 0.013 0.000 0.310 246 M C -1.435 174.777 176.300 -0.145 0.000 1.204 246 M CA -0.402 54.824 55.300 -0.123 0.000 0.891 246 M CB 1.954 34.319 32.600 -0.393 0.000 1.732 246 M HN 0.561 nan 8.290 nan 0.000 0.467 247 C N 1.412 120.631 119.300 -0.134 0.000 2.626 247 C HA 1.020 5.487 4.460 0.013 0.000 0.310 247 C C 0.430 175.345 174.990 -0.124 0.000 1.191 247 C CA 0.615 59.568 59.018 -0.108 0.000 1.517 247 C CB 0.939 28.638 27.740 -0.067 0.000 2.102 247 C HN 1.424 nan 8.230 nan 0.000 0.479 248 G N 2.355 111.088 108.800 -0.112 0.000 2.422 248 G HA2 0.039 4.006 3.960 0.013 0.000 0.607 248 G HA3 0.039 4.006 3.960 0.013 0.000 0.607 248 G C -0.988 173.838 174.900 -0.122 0.000 1.270 248 G CA -0.460 44.577 45.100 -0.104 0.000 0.992 248 G HN 0.954 nan 8.290 nan 0.000 0.499 249 E N -0.244 119.892 120.200 -0.105 0.000 2.257 249 E HA 0.468 4.826 4.350 0.013 0.000 0.278 249 E C 0.372 176.873 176.600 -0.165 0.000 1.049 249 E CA -0.505 55.828 56.400 -0.112 0.000 0.876 249 E CB 0.355 30.011 29.700 -0.074 0.000 1.035 249 E HN 0.487 nan 8.360 nan 0.000 0.419 250 L N 4.976 126.083 121.223 -0.193 0.000 2.417 250 L HA 0.385 4.733 4.340 0.013 0.000 0.268 250 L C 0.414 177.135 176.870 -0.247 0.000 1.158 250 L CA -0.141 54.549 54.840 -0.249 0.000 0.819 250 L CB 0.668 42.590 42.059 -0.227 0.000 1.112 250 L HN 0.553 nan 8.230 nan 0.000 0.458 251 R N 1.221 121.512 120.500 -0.349 0.000 2.668 251 R HA 0.187 4.534 4.340 0.013 0.000 0.272 251 R C -0.416 175.613 176.300 -0.452 0.000 1.019 251 R CA -0.802 55.003 56.100 -0.492 0.000 0.894 251 R CB 1.627 31.335 30.300 -0.987 0.000 1.228 251 R HN 0.535 nan 8.270 nan 0.000 0.460 252 D N 0.913 121.139 120.400 -0.291 0.000 2.182 252 D HA -0.172 4.476 4.640 0.013 0.000 0.201 252 D C 1.522 177.769 176.300 -0.089 0.000 0.986 252 D CA 1.680 55.602 54.000 -0.129 0.000 0.847 252 D CB -0.117 40.664 40.800 -0.032 0.000 0.942 252 D HN 0.605 nan 8.370 nan 0.000 0.467 253 Y N -0.024 120.287 120.300 0.018 0.000 2.578 253 Y HA 0.262 4.820 4.550 0.013 0.000 0.297 253 Y C 0.492 176.397 175.900 0.007 0.000 1.176 253 Y CA -0.473 57.635 58.100 0.015 0.000 1.315 253 Y CB -1.069 37.400 38.460 0.015 0.000 1.031 253 Y HN -0.166 nan 8.280 nan 0.000 0.524 254 L N 2.172 123.330 121.223 -0.109 0.000 2.453 254 L HA 0.401 4.749 4.340 0.013 0.000 0.261 254 L C 0.300 177.161 176.870 -0.015 0.000 1.179 254 L CA -0.408 54.453 54.840 0.035 0.000 0.813 254 L CB 0.531 42.629 42.059 0.065 0.000 1.110 254 L HN 0.107 nan 8.230 nan 0.000 0.466 255 R N 1.005 121.383 120.500 -0.204 0.000 2.764 255 R HA 0.711 5.059 4.340 0.013 0.000 0.270 255 R C -1.594 174.346 176.300 -0.600 0.000 1.014 255 R CA -0.810 55.036 56.100 -0.424 0.000 0.904 255 R CB 2.071 32.079 30.300 -0.486 0.000 1.236 255 R HN 0.284 nan 8.270 nan 0.000 0.466 256 V N 0.684 120.297 119.914 -0.502 0.000 2.656 256 V HA 0.544 4.671 4.120 0.013 0.000 0.307 256 V C -0.419 175.617 176.094 -0.096 0.000 1.051 256 V CA -0.561 61.543 62.300 -0.326 0.000 0.893 256 V CB 2.381 33.941 31.823 -0.438 0.000 0.999 256 V HN 0.742 nan 8.190 nan 0.000 0.426 257 T N 3.571 118.177 114.554 0.087 0.000 2.824 257 T HA 0.648 5.006 4.350 0.013 0.000 0.282 257 T C -0.775 173.932 174.700 0.012 0.000 0.993 257 T CA -0.385 61.770 62.100 0.091 0.000 0.967 257 T CB 1.786 70.748 68.868 0.157 0.000 0.960 257 T HN 0.351 nan 8.240 nan 0.000 0.441 258 V N 2.868 122.769 119.914 -0.021 0.000 2.495 258 V HA 0.668 4.796 4.120 0.013 0.000 0.298 258 V C -0.185 175.904 176.094 -0.008 0.000 1.031 258 V CA -0.558 61.724 62.300 -0.029 0.000 0.871 258 V CB 2.023 33.817 31.823 -0.049 0.000 0.988 258 V HN 0.951 nan 8.190 nan 0.000 0.432 259 S N 4.029 119.753 115.700 0.039 0.000 2.568 259 S HA 0.793 5.271 4.470 0.013 0.000 0.293 259 S C -1.078 173.548 174.600 0.042 0.000 1.089 259 S CA -0.506 57.694 58.200 -0.001 0.000 0.945 259 S CB 1.985 65.212 63.200 0.045 0.000 1.077 259 S HN 0.583 nan 8.310 nan 0.000 0.485 260 L N 2.123 123.277 121.223 -0.114 0.000 2.341 260 L HA 0.761 5.109 4.340 0.013 0.000 0.278 260 L C -2.094 174.731 176.870 -0.074 0.000 1.005 260 L CA -0.137 54.724 54.840 0.034 0.000 0.818 260 L CB 0.785 42.865 42.059 0.035 0.000 1.259 260 L HN 0.727 nan 8.230 nan 0.000 0.418 261 W N 3.311 124.705 121.300 0.156 0.000 2.761 261 W HA 0.595 5.263 4.660 0.013 0.000 0.340 261 W C -0.563 176.078 176.519 0.203 0.000 1.072 261 W CA -0.408 57.021 57.345 0.140 0.000 1.215 261 W CB 1.485 30.978 29.460 0.055 0.000 1.420 261 W HN 0.432 nan 8.180 nan 0.000 0.519 262 Q N 2.383 122.386 119.800 0.338 0.000 2.456 262 Q HA 0.467 4.815 4.340 0.013 0.000 0.252 262 Q C 0.769 176.836 176.000 0.111 0.000 1.042 262 Q CA 0.425 56.288 55.803 0.101 0.000 0.766 262 Q CB 0.602 29.366 28.738 0.044 0.000 1.196 262 Q HN 0.772 nan 8.270 nan 0.000 0.504 263 G N 2.949 111.799 108.800 0.083 0.000 2.614 263 G HA2 -0.381 3.587 3.960 0.013 0.000 0.303 263 G HA3 -0.381 3.587 3.960 0.013 0.000 0.303 263 G C 0.358 175.358 174.900 0.167 0.000 1.270 263 G CA 0.449 45.594 45.100 0.074 0.000 0.988 263 G HN 0.759 nan 8.290 nan 0.000 0.551 264 E N 0.802 121.080 120.200 0.131 0.000 2.511 264 E HA 0.120 4.478 4.350 0.013 0.000 0.196 264 E C 0.485 177.297 176.600 0.353 0.000 1.066 264 E CA 0.750 57.261 56.400 0.186 0.000 0.871 264 E CB -0.046 29.705 29.700 0.086 0.000 0.863 264 E HN 0.334 nan 8.360 nan 0.000 0.520 265 T N 1.207 115.940 114.554 0.299 0.000 2.767 265 T HA 0.097 4.454 4.350 0.013 0.000 0.284 265 T C -0.169 174.557 174.700 0.042 0.000 0.973 265 T CA -0.483 61.724 62.100 0.178 0.000 0.996 265 T CB 1.637 70.544 68.868 0.066 0.000 0.927 265 T HN 0.018 nan 8.240 nan 0.000 0.456 266 Q N 3.276 122.843 119.800 -0.388 0.000 2.324 266 Q HA 0.181 4.529 4.340 0.013 0.000 0.257 266 Q C 1.245 176.972 176.000 -0.454 0.000 1.080 266 Q CA -0.467 54.737 55.803 -0.998 0.000 0.907 266 Q CB 0.464 28.446 28.738 -1.260 0.000 1.274 266 Q HN 0.742 nan 8.270 nan 0.000 0.434 267 V N 1.544 121.277 119.914 -0.302 0.000 2.488 267 V HA 0.327 4.455 4.120 0.013 0.000 0.246 267 V C 0.564 176.557 176.094 -0.168 0.000 1.046 267 V CA 1.057 63.270 62.300 -0.144 0.000 1.053 267 V CB -0.441 31.382 31.823 -0.000 0.000 0.679 267 V HN 0.638 nan 8.190 nan 0.000 0.458 268 A N -1.238 121.456 122.820 -0.210 0.000 2.610 268 A HA 0.812 5.140 4.320 0.013 0.000 0.291 268 A C -0.668 176.808 177.584 -0.181 0.000 1.086 268 A CA 0.165 52.103 52.037 -0.164 0.000 0.677 268 A CB 1.688 20.621 19.000 -0.111 0.000 1.278 268 A HN 0.467 nan 8.150 nan 0.000 0.414 269 S N -1.308 114.313 115.700 -0.132 0.000 2.537 269 S HA 0.770 5.248 4.470 0.013 0.000 0.270 269 S C -0.595 173.962 174.600 -0.071 0.000 1.142 269 S CA 0.174 58.309 58.200 -0.109 0.000 0.870 269 S CB 1.762 64.889 63.200 -0.122 0.000 1.112 269 S HN 2.146 nan 8.310 nan 0.000 0.466 270 G N 1.614 110.382 108.800 -0.054 0.000 2.662 270 G HA2 0.624 4.592 3.960 0.013 0.000 0.302 270 G HA3 0.624 4.592 3.960 0.013 0.000 0.302 270 G C -1.354 173.527 174.900 -0.032 0.000 1.389 270 G CA -0.373 44.700 45.100 -0.045 0.000 0.998 270 G HN 0.637 nan 8.290 nan 0.000 0.502 271 T N 0.257 114.795 114.554 -0.026 0.000 2.881 271 T HA 0.819 5.176 4.350 0.013 0.000 0.290 271 T C -0.256 174.416 174.700 -0.047 0.000 1.000 271 T CA -0.067 62.027 62.100 -0.009 0.000 0.978 271 T CB 1.697 70.589 68.868 0.039 0.000 0.997 271 T HN 1.376 nan 8.240 nan 0.000 0.443 272 A N 4.174 126.935 122.820 -0.098 0.000 2.612 272 A HA 0.937 5.265 4.320 0.013 0.000 0.293 272 A C -3.089 174.382 177.584 -0.187 0.000 1.075 272 A CA -1.598 50.368 52.037 -0.119 0.000 0.680 272 A CB 1.324 20.256 19.000 -0.114 0.000 1.279 272 A HN 0.529 nan 8.150 nan 0.000 0.411 273 P HA 0.559 nan 4.420 nan 0.000 0.279 273 P C -0.533 176.662 177.300 -0.175 0.000 1.276 273 P CA -0.413 62.604 63.100 -0.138 0.000 0.801 273 P CB 0.337 32.015 31.700 -0.037 0.000 1.127 274 F N -0.184 119.724 119.950 -0.069 0.000 2.496 274 F HA 0.437 4.972 4.527 0.013 0.000 0.344 274 F C 1.493 177.274 175.800 -0.031 0.000 1.155 274 F CA 1.739 59.708 58.000 -0.051 0.000 1.302 274 F CB 0.088 39.052 39.000 -0.061 0.000 1.159 274 F HN 0.570 nan 8.300 nan 0.000 0.595 275 G N 1.635 110.560 108.800 0.209 0.000 2.789 275 G HA2 0.349 4.317 3.960 0.013 0.000 0.353 275 G HA3 0.349 4.317 3.960 0.013 0.000 0.353 275 G C -0.476 174.478 174.900 0.090 0.000 1.220 275 G CA -0.745 44.432 45.100 0.128 0.000 1.204 275 G HN 1.033 nan 8.290 nan 0.000 0.574 276 G N 1.044 109.916 108.800 0.120 0.000 2.616 276 G HA2 0.641 4.609 3.960 0.013 0.000 0.268 276 G HA3 0.641 4.609 3.960 0.013 0.000 0.268 276 G C 0.464 175.407 174.900 0.071 0.000 1.213 276 G CA -0.171 44.990 45.100 0.101 0.000 0.926 276 G HN 0.883 nan 8.290 nan 0.000 0.523 277 E N -0.312 119.922 120.200 0.058 0.000 2.409 277 E HA 0.072 4.430 4.350 0.013 0.000 0.257 277 E C 0.144 176.766 176.600 0.036 0.000 1.150 277 E CA -0.401 56.022 56.400 0.037 0.000 0.942 277 E CB 0.915 30.633 29.700 0.030 0.000 0.979 277 E HN 0.313 nan 8.360 nan 0.000 0.447 278 I N 1.378 121.958 120.570 0.017 0.000 2.710 278 I HA -0.111 4.067 4.170 0.013 0.000 0.286 278 I C 1.368 177.491 176.117 0.010 0.000 1.181 278 I CA 0.386 61.688 61.300 0.004 0.000 1.430 278 I CB 0.207 38.205 38.000 -0.004 0.000 1.367 278 I HN 0.545 nan 8.210 nan 0.000 0.577 279 I N 0.975 121.544 120.570 -0.002 0.000 4.244 279 I HA 0.338 4.516 4.170 0.013 0.000 0.318 279 I C -0.198 175.918 176.117 -0.003 0.000 1.282 279 I CA -0.061 61.247 61.300 0.013 0.000 1.276 279 I CB 0.419 38.448 38.000 0.050 0.000 1.183 279 I HN 0.559 nan 8.210 nan 0.000 0.431 280 D N -0.379 120.006 120.400 -0.025 0.000 2.752 280 D HA 0.243 4.891 4.640 0.013 0.000 0.313 280 D C 0.330 176.612 176.300 -0.030 0.000 1.225 280 D CA -0.567 53.418 54.000 -0.025 0.000 0.976 280 D CB 0.643 41.428 40.800 -0.026 0.000 1.443 280 D HN -0.120 nan 8.370 nan 0.000 0.515 281 E N -0.929 119.256 120.200 -0.026 0.000 2.219 281 E HA -0.099 4.259 4.350 0.013 0.000 0.198 281 E C 1.266 177.846 176.600 -0.034 0.000 0.998 281 E CA 1.022 57.407 56.400 -0.024 0.000 0.818 281 E CB -0.051 29.637 29.700 -0.019 0.000 0.741 281 E HN 0.217 nan 8.360 nan 0.000 0.477 282 R N 0.091 120.563 120.500 -0.047 0.000 2.319 282 R HA 0.214 4.562 4.340 0.013 0.000 0.204 282 R C 0.901 177.157 176.300 -0.072 0.000 0.954 282 R CA 0.718 56.782 56.100 -0.060 0.000 1.066 282 R CB -0.306 29.948 30.300 -0.076 0.000 0.991 282 R HN 0.239 nan 8.270 nan 0.000 0.486 283 G N -0.687 108.076 108.800 -0.062 0.000 2.481 283 G HA2 -0.200 3.768 3.960 0.013 0.000 0.230 283 G HA3 -0.200 3.768 3.960 0.013 0.000 0.230 283 G C 0.032 174.883 174.900 -0.082 0.000 1.210 283 G CA -0.533 44.530 45.100 -0.060 0.000 0.936 283 G HN 0.556 nan 8.290 nan 0.000 0.583 284 G N -2.199 106.548 108.800 -0.087 0.000 3.176 284 G HA2 0.641 4.609 3.960 0.013 0.000 0.272 284 G HA3 0.641 4.609 3.960 0.013 0.000 0.272 284 G C -1.411 173.385 174.900 -0.174 0.000 1.349 284 G CA -0.643 44.403 45.100 -0.091 0.000 0.953 284 G HN 0.794 nan 8.290 nan 0.000 0.559 285 Y N 1.128 121.438 120.300 0.016 0.000 2.539 285 Y HA 0.398 4.955 4.550 0.013 0.000 0.352 285 Y C 1.522 177.440 175.900 0.029 0.000 1.004 285 Y CA 0.257 58.368 58.100 0.019 0.000 1.278 285 Y CB 1.530 40.008 38.460 0.030 0.000 1.136 285 Y HN 0.529 nan 8.280 nan 0.000 0.528 286 A N 1.936 124.807 122.820 0.085 0.000 2.121 286 A HA -0.148 4.180 4.320 0.013 0.000 0.218 286 A C 1.359 178.970 177.584 0.046 0.000 1.154 286 A CA 1.475 53.547 52.037 0.057 0.000 0.679 286 A CB -0.284 18.710 19.000 -0.010 0.000 0.795 286 A HN 0.787 nan 8.150 nan 0.000 0.458 287 D N -1.028 119.405 120.400 0.055 0.000 2.424 287 D HA 0.164 4.812 4.640 0.013 0.000 0.220 287 D C 0.395 176.756 176.300 0.101 0.000 1.150 287 D CA -0.143 53.793 54.000 -0.107 0.000 0.831 287 D CB -0.032 40.697 40.800 -0.117 0.000 0.981 287 D HN 0.422 nan 8.370 nan 0.000 0.500 288 R N -0.816 119.884 120.500 0.333 0.000 2.836 288 R HA 0.787 5.134 4.340 0.013 0.000 0.269 288 R C -1.511 174.962 176.300 0.288 0.000 1.010 288 R CA -1.179 55.123 56.100 0.336 0.000 0.930 288 R CB 3.048 33.410 30.300 0.103 0.000 1.218 288 R HN -0.033 nan 8.270 nan 0.000 0.473 289 V N 0.178 120.146 119.914 0.089 0.000 3.077 289 V HA 0.525 4.653 4.120 0.013 0.000 0.299 289 V C -1.615 174.438 176.094 -0.069 0.000 1.276 289 V CA -0.293 61.973 62.300 -0.056 0.000 0.993 289 V CB 2.825 34.486 31.823 -0.270 0.000 1.076 289 V HN 0.831 nan 8.190 nan 0.000 0.434 290 T N 7.115 121.636 114.554 -0.056 0.000 2.812 290 T HA 0.623 4.981 4.350 0.013 0.000 0.282 290 T C -0.992 173.674 174.700 -0.056 0.000 0.990 290 T CA -0.419 61.653 62.100 -0.046 0.000 0.960 290 T CB 1.128 69.983 68.868 -0.023 0.000 0.948 290 T HN 0.467 nan 8.240 nan 0.000 0.438 291 L N 3.235 124.424 121.223 -0.057 0.000 2.331 291 L HA 0.614 4.962 4.340 0.013 0.000 0.275 291 L C 0.381 177.224 176.870 -0.046 0.000 1.022 291 L CA -0.633 54.172 54.840 -0.058 0.000 0.812 291 L CB 1.631 43.651 42.059 -0.066 0.000 1.257 291 L HN 0.544 nan 8.230 nan 0.000 0.435 292 R N 2.624 123.096 120.500 -0.045 0.000 2.480 292 R HA 0.702 5.050 4.340 0.013 0.000 0.306 292 R C -1.439 174.834 176.300 -0.046 0.000 0.958 292 R CA -0.900 55.173 56.100 -0.045 0.000 0.861 292 R CB 2.159 32.434 30.300 -0.042 0.000 1.171 292 R HN 0.236 nan 8.270 nan 0.000 0.445 293 L N 2.478 123.674 121.223 -0.046 0.000 2.385 293 L HA 0.367 4.715 4.340 0.013 0.000 0.273 293 L C -0.417 176.424 176.870 -0.048 0.000 0.990 293 L CA -0.460 54.351 54.840 -0.047 0.000 0.821 293 L CB 1.968 44.004 42.059 -0.040 0.000 1.279 293 L HN 0.530 nan 8.230 nan 0.000 0.412 294 N N 1.265 119.932 118.700 -0.056 0.000 2.499 294 N HA 0.629 5.377 4.740 0.013 0.000 0.281 294 N C -1.207 174.257 175.510 -0.076 0.000 1.098 294 N CA -0.368 52.646 53.050 -0.061 0.000 0.979 294 N CB 1.561 40.015 38.487 -0.055 0.000 1.121 294 N HN 0.236 nan 8.380 nan 0.000 0.466 295 V N 2.014 121.872 119.914 -0.094 0.000 2.483 295 V HA 0.238 4.366 4.120 0.013 0.000 0.297 295 V C -0.304 175.709 176.094 -0.135 0.000 1.027 295 V CA -0.809 61.398 62.300 -0.153 0.000 0.855 295 V CB 1.569 33.220 31.823 -0.287 0.000 0.995 295 V HN 0.606 nan 8.190 nan 0.000 0.424 296 E N 3.848 123.985 120.200 -0.105 0.000 2.283 296 E HA 0.274 4.632 4.350 0.013 0.000 0.278 296 E C 0.136 176.704 176.600 -0.054 0.000 1.027 296 E CA -0.226 56.138 56.400 -0.060 0.000 0.843 296 E CB 0.759 30.434 29.700 -0.041 0.000 1.062 296 E HN 0.702 nan 8.360 nan 0.000 0.401 297 N N 2.271 120.965 118.700 -0.010 0.000 2.699 297 N HA -0.134 4.613 4.740 0.013 0.000 0.256 297 N C -2.199 173.312 175.510 0.000 0.000 0.993 297 N CA 0.243 53.305 53.050 0.020 0.000 0.759 297 N CB -1.125 37.377 38.487 0.024 0.000 0.906 297 N HN 0.360 nan 8.380 nan 0.000 0.541 298 P HA -0.007 nan 4.420 nan 0.000 0.268 298 P C 0.153 177.482 177.300 0.048 0.000 1.208 298 P CA 0.467 63.465 63.100 -0.170 0.000 0.777 298 P CB 0.818 32.262 31.700 -0.427 0.000 0.875 299 K N 2.578 123.098 120.400 0.200 0.000 2.312 299 K HA 0.301 4.629 4.320 0.013 0.000 0.287 299 K C 0.197 176.964 176.600 0.278 0.000 1.062 299 K CA -0.411 55.995 56.287 0.198 0.000 0.934 299 K CB 0.388 32.973 32.500 0.141 0.000 1.027 299 K HN 0.447 nan 8.250 nan 0.000 0.478 300 L N 2.420 123.732 121.223 0.148 0.000 2.375 300 L HA 0.365 4.713 4.340 0.013 0.000 0.271 300 L C 0.010 176.954 176.870 0.123 0.000 1.107 300 L CA -0.964 53.963 54.840 0.145 0.000 0.806 300 L CB 0.499 42.489 42.059 -0.115 0.000 1.146 300 L HN 0.578 nan 8.230 nan 0.000 0.447 301 W N 3.035 124.361 121.300 0.044 0.000 2.376 301 W HA 0.531 5.198 4.660 0.011 0.000 0.322 301 W C -0.066 176.403 176.519 -0.084 0.000 1.160 301 W CA 0.113 57.468 57.345 0.017 0.000 1.218 301 W CB 1.376 30.900 29.460 0.107 0.000 1.205 301 W HN 0.653 nan 8.180 nan 0.000 0.559 302 S N 2.836 118.031 115.700 -0.842 0.000 2.643 302 S HA 0.631 5.109 4.470 0.013 0.000 0.270 302 S C 0.083 173.826 174.600 -1.429 0.000 1.166 302 S CA -0.387 57.302 58.200 -0.853 0.000 0.815 302 S CB 1.068 64.044 63.200 -0.374 0.000 1.139 302 S HN 0.986 nan 8.310 nan 0.000 0.472 303 A N 0.666 122.780 122.820 -1.176 0.000 1.969 303 A HA 0.022 4.350 4.320 0.013 0.000 0.218 303 A C 1.758 178.972 177.584 -0.617 0.000 1.169 303 A CA 1.578 52.989 52.037 -1.043 0.000 0.635 303 A CB -1.103 17.180 19.000 -1.194 0.000 0.810 303 A HN 0.899 nan 8.150 nan 0.000 0.445 304 E N -0.711 119.266 120.200 -0.372 0.000 2.077 304 E HA -0.028 4.330 4.350 0.013 0.000 0.193 304 E C -0.287 176.148 176.600 -0.276 0.000 0.989 304 E CA 0.853 57.105 56.400 -0.247 0.000 0.800 304 E CB -0.111 29.567 29.700 -0.038 0.000 0.746 304 E HN 0.645 nan 8.360 nan 0.000 0.452 305 I N 1.083 121.462 120.570 -0.319 0.000 2.560 305 I HA 0.150 4.328 4.170 0.013 0.000 0.278 305 I C -2.568 173.315 176.117 -0.391 0.000 1.089 305 I CA -1.977 59.167 61.300 -0.259 0.000 1.086 305 I CB 2.295 40.203 38.000 -0.153 0.000 1.202 305 I HN -0.221 nan 8.210 nan 0.000 0.471 306 P HA 0.080 nan 4.420 nan 0.000 0.225 306 P C -0.587 176.712 177.300 -0.002 0.000 1.768 306 P CA -0.261 62.548 63.100 -0.485 0.000 0.943 306 P CB -0.361 31.212 31.700 -0.211 0.000 1.936 307 N N 1.624 120.333 118.700 0.016 0.000 2.414 307 N HA 0.028 4.776 4.740 0.013 0.000 0.268 307 N C 0.024 175.740 175.510 0.343 0.000 1.286 307 N CA 0.676 53.806 53.050 0.135 0.000 0.896 307 N CB 0.489 39.045 38.487 0.115 0.000 1.093 307 N HN 0.303 nan 8.380 nan 0.000 0.480 308 L N 2.857 124.205 121.223 0.208 0.000 2.362 308 L HA 0.467 4.815 4.340 0.013 0.000 0.271 308 L C -0.559 176.397 176.870 0.144 0.000 1.002 308 L CA -0.877 54.123 54.840 0.266 0.000 0.818 308 L CB 1.076 43.264 42.059 0.215 0.000 1.298 308 L HN 0.373 nan 8.230 nan 0.000 0.420 309 Y N 0.662 121.108 120.300 0.242 0.000 2.631 309 Y HA 0.646 5.204 4.550 0.013 0.000 0.328 309 Y C -0.093 175.922 175.900 0.191 0.000 1.118 309 Y CA -0.923 57.320 58.100 0.239 0.000 1.206 309 Y CB 1.405 40.067 38.460 0.337 0.000 1.337 309 Y HN 0.389 nan 8.280 nan 0.000 0.515 310 R N 0.823 121.554 120.500 0.385 0.000 2.480 310 R HA 0.803 5.150 4.340 0.013 0.000 0.306 310 R C -1.667 174.812 176.300 0.298 0.000 0.958 310 R CA -0.488 55.768 56.100 0.260 0.000 0.861 310 R CB 1.127 31.510 30.300 0.139 0.000 1.171 310 R HN 0.759 nan 8.270 nan 0.000 0.445 311 A N 3.751 126.683 122.820 0.187 0.000 2.303 311 A HA 0.619 4.947 4.320 0.013 0.000 0.320 311 A C -1.150 176.465 177.584 0.052 0.000 1.192 311 A CA -0.654 51.470 52.037 0.144 0.000 0.821 311 A CB 1.410 20.465 19.000 0.092 0.000 1.188 311 A HN 0.480 nan 8.150 nan 0.000 0.492 312 V N 3.614 123.567 119.914 0.064 0.000 2.409 312 V HA 0.354 4.482 4.120 0.013 0.000 0.291 312 V C -0.358 175.695 176.094 -0.068 0.000 1.020 312 V CA -0.491 61.789 62.300 -0.033 0.000 0.848 312 V CB 1.537 33.357 31.823 -0.005 0.000 0.990 312 V HN 0.630 nan 8.190 nan 0.000 0.430 313 V N 5.027 124.830 119.914 -0.186 0.000 2.350 313 V HA 0.420 4.548 4.120 0.013 0.000 0.276 313 V C 0.046 176.075 176.094 -0.108 0.000 1.028 313 V CA -0.541 61.633 62.300 -0.210 0.000 0.860 313 V CB 1.273 32.806 31.823 -0.482 0.000 0.990 313 V HN 0.898 nan 8.190 nan 0.000 0.453 314 E N 3.713 123.901 120.200 -0.021 0.000 2.166 314 E HA 0.511 4.869 4.350 0.013 0.000 0.275 314 E C -1.080 175.601 176.600 0.134 0.000 0.941 314 E CA -0.897 55.543 56.400 0.066 0.000 0.784 314 E CB 2.499 32.263 29.700 0.106 0.000 1.115 314 E HN 0.483 nan 8.360 nan 0.000 0.399 315 L N 4.721 126.010 121.223 0.110 0.000 2.276 315 L HA 0.388 4.735 4.340 0.013 0.000 0.286 315 L C -0.989 175.980 176.870 0.165 0.000 1.024 315 L CA 0.134 55.029 54.840 0.092 0.000 0.826 315 L CB -0.065 42.037 42.059 0.072 0.000 1.211 315 L HN 0.688 nan 8.230 nan 0.000 0.422 316 H N 0.447 119.556 119.070 0.064 0.000 2.984 316 H HA 0.823 5.387 4.556 0.013 0.000 0.277 316 H C -0.794 174.606 175.328 0.120 0.000 1.502 316 H CA -0.447 55.645 56.048 0.073 0.000 1.195 316 H CB 0.790 30.575 29.762 0.038 0.000 1.866 316 H HN 0.441 nan 8.280 nan 0.000 0.594 317 T N -2.287 112.436 114.554 0.281 0.000 2.943 317 T HA 0.580 4.938 4.350 0.013 0.000 0.284 317 T C 1.292 176.152 174.700 0.266 0.000 1.015 317 T CA -0.403 61.838 62.100 0.235 0.000 1.042 317 T CB 1.606 70.543 68.868 0.114 0.000 1.055 317 T HN 0.947 nan 8.240 nan 0.000 0.500 318 A N 0.782 123.713 122.820 0.184 0.000 1.978 318 A HA -0.043 4.285 4.320 0.013 0.000 0.220 318 A C 1.744 179.408 177.584 0.133 0.000 1.170 318 A CA 1.319 53.450 52.037 0.156 0.000 0.636 318 A CB -0.737 18.330 19.000 0.112 0.000 0.810 318 A HN 0.913 nan 8.150 nan 0.000 0.448 319 D N -1.053 119.402 120.400 0.091 0.000 2.325 319 D HA 0.271 4.919 4.640 0.013 0.000 0.234 319 D C 1.145 177.473 176.300 0.047 0.000 1.122 319 D CA 0.924 54.953 54.000 0.049 0.000 0.850 319 D CB -0.024 40.780 40.800 0.007 0.000 0.921 319 D HN 0.597 nan 8.370 nan 0.000 0.513 320 G N 1.040 109.899 108.800 0.098 0.000 2.132 320 G HA2 -0.239 3.729 3.960 0.013 0.000 0.234 320 G HA3 -0.239 3.729 3.960 0.013 0.000 0.234 320 G C 0.493 175.414 174.900 0.034 0.000 0.989 320 G CA -0.047 45.079 45.100 0.043 0.000 0.676 320 G HN 0.260 nan 8.290 nan 0.000 0.522 321 T N 0.986 115.583 114.554 0.071 0.000 2.817 321 T HA 0.516 4.874 4.350 0.013 0.000 0.293 321 T C 0.284 175.046 174.700 0.103 0.000 0.964 321 T CA -0.154 61.978 62.100 0.054 0.000 1.085 321 T CB 1.731 70.614 68.868 0.025 0.000 0.921 321 T HN 0.575 nan 8.240 nan 0.000 0.502 322 L N 4.428 125.695 121.223 0.074 0.000 2.326 322 L HA 0.400 4.748 4.340 0.013 0.000 0.278 322 L C 0.596 177.523 176.870 0.095 0.000 1.092 322 L CA 0.110 55.012 54.840 0.102 0.000 0.810 322 L CB 0.509 42.601 42.059 0.054 0.000 1.153 322 L HN 0.586 nan 8.230 nan 0.000 0.439 323 I N 2.501 123.138 120.570 0.111 0.000 2.385 323 I HA 0.132 4.310 4.170 0.013 0.000 0.244 323 I C 0.359 176.504 176.117 0.046 0.000 1.089 323 I CA 0.905 62.249 61.300 0.074 0.000 1.410 323 I CB -0.054 37.991 38.000 0.076 0.000 1.117 323 I HN 0.845 nan 8.210 nan 0.000 0.429 324 E N -0.841 119.387 120.200 0.047 0.000 2.417 324 E HA 0.722 5.080 4.350 0.013 0.000 0.280 324 E C -1.462 175.163 176.600 0.041 0.000 1.112 324 E CA -1.155 55.265 56.400 0.033 0.000 0.863 324 E CB 1.234 30.918 29.700 -0.027 0.000 1.346 324 E HN -0.034 nan 8.360 nan 0.000 0.443 325 A N 0.952 123.816 122.820 0.073 0.000 2.449 325 A HA 0.722 5.050 4.320 0.013 0.000 0.302 325 A C -1.113 176.576 177.584 0.175 0.000 1.048 325 A CA -0.733 51.349 52.037 0.074 0.000 0.708 325 A CB 1.772 20.810 19.000 0.063 0.000 1.274 325 A HN 0.482 nan 8.150 nan 0.000 0.410 326 E N -0.382 119.863 120.200 0.075 0.000 2.378 326 E HA 0.864 5.222 4.350 0.013 0.000 0.265 326 E C -0.468 176.186 176.600 0.090 0.000 0.932 326 E CA -0.401 56.120 56.400 0.203 0.000 0.795 326 E CB 2.366 32.079 29.700 0.023 0.000 1.296 326 E HN 1.252 nan 8.360 nan 0.000 0.438 327 A N -0.183 122.800 122.820 0.272 0.000 2.586 327 A HA 0.741 5.068 4.320 0.013 0.000 0.290 327 A C -1.188 176.582 177.584 0.311 0.000 1.086 327 A CA -0.296 51.803 52.037 0.102 0.000 0.665 327 A CB 0.732 19.672 19.000 -0.100 0.000 1.279 327 A HN 0.896 nan 8.150 nan 0.000 0.423 328 C N -0.638 118.791 119.300 0.215 0.000 3.312 328 C HA 0.794 5.261 4.460 0.013 0.000 0.332 328 C C -1.566 173.513 174.990 0.148 0.000 1.340 328 C CA -0.904 58.249 59.018 0.225 0.000 1.265 328 C CB 1.010 28.916 27.740 0.276 0.000 1.563 328 C HN 0.825 nan 8.230 nan 0.000 0.471 329 D N 1.080 121.554 120.400 0.124 0.000 2.255 329 D HA 0.567 5.215 4.640 0.013 0.000 0.249 329 D C -0.320 176.038 176.300 0.098 0.000 1.078 329 D CA 0.120 54.196 54.000 0.127 0.000 0.896 329 D CB 1.904 42.781 40.800 0.128 0.000 1.194 329 D HN 0.560 nan 8.370 nan 0.000 0.429 330 V N 1.000 121.002 119.914 0.146 0.000 2.555 330 V HA 0.669 4.797 4.120 0.013 0.000 0.302 330 V C 0.589 176.767 176.094 0.141 0.000 1.038 330 V CA -0.818 61.523 62.300 0.068 0.000 0.887 330 V CB 2.040 33.882 31.823 0.031 0.000 0.991 330 V HN 0.618 nan 8.190 nan 0.000 0.434 331 G N 3.110 111.897 108.800 -0.021 0.000 2.533 331 G HA2 0.588 4.556 3.960 0.013 0.000 0.310 331 G HA3 0.588 4.556 3.960 0.013 0.000 0.310 331 G C -0.930 174.060 174.900 0.151 0.000 1.266 331 G CA -0.372 44.780 45.100 0.087 0.000 0.967 331 G HN 0.429 nan 8.290 nan 0.000 0.493 332 F N 4.060 124.206 119.950 0.327 0.000 2.462 332 F HA 0.408 4.942 4.527 0.012 0.000 0.360 332 F C 1.159 177.204 175.800 0.408 0.000 1.134 332 F CA -0.080 58.171 58.000 0.417 0.000 1.148 332 F CB 0.617 39.873 39.000 0.426 0.000 1.147 332 F HN 0.434 nan 8.300 nan 0.000 0.550 333 R N 3.353 124.157 120.500 0.506 0.000 2.594 333 R HA 0.348 4.695 4.340 0.013 0.000 0.265 333 R C -1.801 174.625 176.300 0.210 0.000 1.070 333 R CA -0.733 55.489 56.100 0.204 0.000 0.909 333 R CB 1.570 32.032 30.300 0.271 0.000 1.243 333 R HN 0.602 nan 8.270 nan 0.000 0.455 334 E N 2.839 123.048 120.200 0.014 0.000 2.171 334 E HA 0.434 4.792 4.350 0.013 0.000 0.271 334 E C -1.207 175.463 176.600 0.116 0.000 0.916 334 E CA -0.830 55.672 56.400 0.171 0.000 0.774 334 E CB 1.987 31.841 29.700 0.257 0.000 1.128 334 E HN 0.410 nan 8.360 nan 0.000 0.403 335 V N 5.817 125.799 119.914 0.113 0.000 2.378 335 V HA 0.523 4.651 4.120 0.013 0.000 0.288 335 V C -0.155 175.982 176.094 0.072 0.000 1.016 335 V CA -0.644 61.697 62.300 0.067 0.000 0.840 335 V CB 1.072 32.915 31.823 0.034 0.000 0.994 335 V HN 0.714 nan 8.190 nan 0.000 0.431 336 R N 4.631 125.170 120.500 0.065 0.000 2.643 336 R HA 0.717 5.065 4.340 0.013 0.000 0.269 336 R C -2.118 174.210 176.300 0.047 0.000 1.037 336 R CA -0.854 55.284 56.100 0.065 0.000 0.894 336 R CB 1.931 32.282 30.300 0.086 0.000 1.238 336 R HN 0.540 nan 8.270 nan 0.000 0.459 337 I N 2.028 122.625 120.570 0.044 0.000 2.339 337 I HA 0.354 4.531 4.170 0.013 0.000 0.290 337 I C -0.670 175.469 176.117 0.037 0.000 0.994 337 I CA -0.386 60.934 61.300 0.034 0.000 1.191 337 I CB 1.801 39.822 38.000 0.035 0.000 1.343 337 I HN 0.729 nan 8.210 nan 0.000 0.458 338 E N 5.747 125.966 120.200 0.031 0.000 2.304 338 E HA 0.277 4.635 4.350 0.013 0.000 0.277 338 E C -0.344 176.270 176.600 0.024 0.000 0.898 338 E CA -0.536 55.884 56.400 0.033 0.000 0.764 338 E CB 1.033 30.758 29.700 0.041 0.000 1.216 338 E HN 0.508 nan 8.360 nan 0.000 0.419 339 N N 3.173 121.887 118.700 0.022 0.000 2.735 339 N HA -0.218 4.530 4.740 0.013 0.000 0.248 339 N C 0.478 175.994 175.510 0.011 0.000 1.083 339 N CA 2.111 55.171 53.050 0.016 0.000 0.703 339 N CB -1.122 37.374 38.487 0.015 0.000 1.005 339 N HN 1.016 nan 8.380 nan 0.000 0.550 340 G N -2.162 106.645 108.800 0.012 0.000 2.159 340 G HA2 -0.286 3.682 3.960 0.013 0.000 0.256 340 G HA3 -0.286 3.682 3.960 0.013 0.000 0.256 340 G C -0.098 174.799 174.900 -0.005 0.000 0.977 340 G CA 0.501 45.604 45.100 0.006 0.000 0.652 340 G HN 0.452 nan 8.290 nan 0.000 0.531 341 L N 0.126 121.346 121.223 -0.005 0.000 2.341 341 L HA 0.683 5.030 4.340 0.013 0.000 0.278 341 L C 0.113 176.974 176.870 -0.014 0.000 1.005 341 L CA -1.293 53.536 54.840 -0.017 0.000 0.818 341 L CB 1.863 43.913 42.059 -0.016 0.000 1.259 341 L HN 0.104 nan 8.230 nan 0.000 0.418 342 L N 4.956 126.158 121.223 -0.034 0.000 2.278 342 L HA 0.433 4.781 4.340 0.013 0.000 0.287 342 L C -0.813 176.036 176.870 -0.035 0.000 1.072 342 L CA 0.390 55.210 54.840 -0.033 0.000 0.819 342 L CB 0.261 42.285 42.059 -0.059 0.000 1.176 342 L HN 0.400 nan 8.230 nan 0.000 0.435 343 L N 5.961 127.181 121.223 -0.005 0.000 2.334 343 L HA 0.549 4.896 4.340 0.013 0.000 0.276 343 L C -0.751 176.134 176.870 0.026 0.000 1.014 343 L CA -0.802 54.046 54.840 0.013 0.000 0.815 343 L CB 1.899 43.988 42.059 0.050 0.000 1.268 343 L HN 0.560 nan 8.230 nan 0.000 0.428 344 L N 3.798 125.049 121.223 0.047 0.000 2.343 344 L HA 0.475 4.823 4.340 0.013 0.000 0.278 344 L C -0.337 176.570 176.870 0.061 0.000 0.996 344 L CA -0.122 54.758 54.840 0.067 0.000 0.831 344 L CB 0.891 42.994 42.059 0.072 0.000 1.232 344 L HN 0.620 nan 8.230 nan 0.000 0.413 345 N N 4.057 122.675 118.700 -0.136 0.000 2.727 345 N HA -0.216 4.532 4.740 0.013 0.000 0.249 345 N C 0.906 176.109 175.510 -0.512 0.000 1.048 345 N CA 1.320 53.984 53.050 -0.643 0.000 0.714 345 N CB -1.304 36.703 38.487 -0.801 0.000 0.959 345 N HN 1.168 nan 8.380 nan 0.000 0.544 346 G N -2.100 106.691 108.800 -0.014 0.000 2.179 346 G HA2 -0.359 3.608 3.960 0.013 0.000 0.260 346 G HA3 -0.359 3.608 3.960 0.013 0.000 0.260 346 G C -0.049 174.889 174.900 0.064 0.000 0.977 346 G CA 0.918 46.096 45.100 0.130 0.000 0.641 346 G HN 0.394 nan 8.290 nan 0.000 0.533 347 K N 0.952 121.383 120.400 0.051 0.000 2.221 347 K HA 0.559 4.887 4.320 0.013 0.000 0.258 347 K C -2.742 173.840 176.600 -0.030 0.000 0.944 347 K CA -2.452 53.825 56.287 -0.016 0.000 0.823 347 K CB 2.257 34.667 32.500 -0.150 0.000 1.113 347 K HN 0.074 nan 8.250 nan 0.000 0.431 348 P HA 0.227 nan 4.420 nan 0.000 0.282 348 P C -0.107 177.137 177.300 -0.093 0.000 1.262 348 P CA -0.316 62.745 63.100 -0.064 0.000 0.773 348 P CB 0.519 32.181 31.700 -0.064 0.000 0.879 349 L N 3.082 124.242 121.223 -0.104 0.000 2.476 349 L HA 0.343 4.691 4.340 0.013 0.000 0.255 349 L C 0.641 177.430 176.870 -0.136 0.000 1.218 349 L CA -0.496 54.268 54.840 -0.126 0.000 0.819 349 L CB 0.050 41.987 42.059 -0.204 0.000 1.119 349 L HN 0.237 nan 8.230 nan 0.000 0.485 350 L N 2.149 123.305 121.223 -0.113 0.000 2.485 350 L HA 0.402 4.749 4.340 0.013 0.000 0.260 350 L C -0.695 176.126 176.870 -0.082 0.000 0.998 350 L CA -0.169 54.592 54.840 -0.132 0.000 0.883 350 L CB 0.874 42.883 42.059 -0.083 0.000 1.196 350 L HN 0.246 nan 8.230 nan 0.000 0.443 351 I N 4.540 124.994 120.570 -0.193 0.000 2.389 351 I HA 0.155 4.332 4.170 0.013 0.000 0.295 351 I C 0.659 176.723 176.117 -0.088 0.000 1.117 351 I CA 0.316 61.504 61.300 -0.187 0.000 1.317 351 I CB 0.137 37.900 38.000 -0.396 0.000 1.431 351 I HN 0.547 nan 8.210 nan 0.000 0.521 352 R N 4.634 125.174 120.500 0.066 0.000 3.570 352 R HA 0.387 4.735 4.340 0.013 0.000 0.233 352 R C 0.638 177.036 176.300 0.163 0.000 1.492 352 R CA -0.248 55.931 56.100 0.131 0.000 1.504 352 R CB 0.617 30.857 30.300 -0.099 0.000 1.314 352 R HN 0.736 nan 8.270 nan 0.000 0.687 353 G N -0.016 108.843 108.800 0.097 0.000 2.521 353 G HA2 0.568 4.535 3.960 0.013 0.000 0.323 353 G HA3 0.568 4.535 3.960 0.013 0.000 0.323 353 G C -1.259 173.962 174.900 0.535 0.000 1.211 353 G CA -0.415 44.761 45.100 0.126 0.000 0.979 353 G HN 0.219 nan 8.290 nan 0.000 0.490 354 V N 0.049 120.245 119.914 0.471 0.000 2.932 354 V HA 0.446 4.574 4.120 0.013 0.000 0.307 354 V C -1.039 175.183 176.094 0.214 0.000 1.147 354 V CA -1.190 61.270 62.300 0.266 0.000 0.951 354 V CB 2.173 33.858 31.823 -0.230 0.000 1.031 354 V HN 0.778 nan 8.190 nan 0.000 0.426 355 N N 4.097 122.849 118.700 0.087 0.000 2.530 355 N HA 0.472 5.220 4.740 0.013 0.000 0.277 355 N C -0.721 174.596 175.510 -0.322 0.000 1.168 355 N CA -0.335 52.635 53.050 -0.135 0.000 0.979 355 N CB 1.500 39.866 38.487 -0.200 0.000 1.141 355 N HN 0.646 nan 8.380 nan 0.000 0.459 356 R N 1.702 121.972 120.500 -0.383 0.000 2.515 356 R HA 0.222 4.569 4.340 0.013 0.000 0.291 356 R C -0.986 175.063 176.300 -0.419 0.000 1.046 356 R CA -0.555 55.335 56.100 -0.351 0.000 0.914 356 R CB 0.908 31.000 30.300 -0.346 0.000 1.191 356 R HN 0.596 nan 8.270 nan 0.000 0.435 357 H N 2.024 120.923 119.070 -0.285 0.000 2.509 357 H HA 0.149 4.713 4.556 0.014 0.000 0.359 357 H C -0.475 174.827 175.328 -0.043 0.000 1.253 357 H CA 0.026 55.996 56.048 -0.131 0.000 1.373 357 H CB 1.392 31.132 29.762 -0.038 0.000 1.555 357 H HN 0.563 nan 8.280 nan 0.000 0.586 358 E N 1.550 121.917 120.200 0.278 0.000 1.963 358 E HA 0.126 4.484 4.350 0.013 0.000 0.274 358 E C -0.740 175.975 176.600 0.192 0.000 1.061 358 E CA -0.038 56.447 56.400 0.141 0.000 0.847 358 E CB 0.303 30.103 29.700 0.166 0.000 1.083 358 E HN 0.380 nan 8.360 nan 0.000 0.402 359 H N 1.592 120.692 119.070 0.050 0.000 2.865 359 H HA 0.254 4.817 4.556 0.013 0.000 0.362 359 H C -1.688 173.666 175.328 0.042 0.000 1.114 359 H CA -0.677 55.399 56.048 0.045 0.000 1.208 359 H CB 1.112 30.891 29.762 0.028 0.000 1.727 359 H HN 0.393 nan 8.280 nan 0.000 0.534 360 H N 6.516 125.135 119.070 -0.752 0.000 2.924 360 H HA 0.196 4.759 4.556 0.013 0.000 0.333 360 H C -2.234 172.696 175.328 -0.663 0.000 0.979 360 H CA -2.343 53.392 56.048 -0.522 0.000 1.326 360 H CB 2.417 32.007 29.762 -0.287 0.000 1.600 360 H HN 0.555 nan 8.280 nan 0.000 0.520 361 P HA -0.157 nan 4.420 nan 0.000 0.217 361 P C 1.219 178.446 177.300 -0.122 0.000 1.148 361 P CA 1.124 64.081 63.100 -0.239 0.000 0.834 361 P CB 0.650 32.228 31.700 -0.203 0.000 0.783 362 L N -2.201 119.094 121.223 0.120 0.000 2.286 362 L HA 0.096 4.444 4.340 0.013 0.000 0.203 362 L C 2.239 178.994 176.870 -0.191 0.000 1.068 362 L CA 0.706 55.505 54.840 -0.067 0.000 0.811 362 L CB -0.932 40.984 42.059 -0.238 0.000 0.989 362 L HN -0.010 nan 8.230 nan 0.000 0.467 363 H N -0.175 118.807 119.070 -0.146 0.000 2.539 363 H HA 0.274 4.837 4.556 0.013 0.000 0.269 363 H C 1.484 176.685 175.328 -0.212 0.000 0.980 363 H CA 0.145 56.015 56.048 -0.296 0.000 1.152 363 H CB 0.240 29.725 29.762 -0.462 0.000 1.407 363 H HN 0.401 nan 8.280 nan 0.000 0.564 364 G N 1.611 110.318 108.800 -0.154 0.000 2.574 364 G HA2 -0.405 3.563 3.960 0.013 0.000 0.301 364 G HA3 -0.405 3.563 3.960 0.013 0.000 0.301 364 G C 0.739 175.534 174.900 -0.175 0.000 1.166 364 G CA 0.490 45.448 45.100 -0.236 0.000 0.971 364 G HN 0.490 nan 8.290 nan 0.000 0.542 365 Q N -0.085 119.632 119.800 -0.138 0.000 2.198 365 Q HA 0.471 4.819 4.340 0.013 0.000 0.209 365 Q C 0.210 176.288 176.000 0.130 0.000 0.848 365 Q CA -0.115 55.639 55.803 -0.081 0.000 0.974 365 Q CB 1.452 30.018 28.738 -0.287 0.000 1.115 365 Q HN 0.349 nan 8.270 nan 0.000 0.494 366 V N 2.214 122.195 119.914 0.112 0.000 2.432 366 V HA 0.161 4.289 4.120 0.013 0.000 0.271 366 V C 0.112 176.262 176.094 0.093 0.000 1.046 366 V CA 0.096 62.475 62.300 0.132 0.000 0.945 366 V CB 0.817 32.649 31.823 0.015 0.000 0.992 366 V HN 0.327 nan 8.190 nan 0.000 0.471 367 M N 4.818 124.480 119.600 0.103 0.000 2.423 367 M HA 0.482 4.969 4.480 0.013 0.000 0.335 367 M C -0.408 175.861 176.300 -0.052 0.000 1.177 367 M CA -0.711 54.603 55.300 0.023 0.000 1.038 367 M CB 1.490 34.061 32.600 -0.049 0.000 1.641 367 M HN 0.932 nan 8.290 nan 0.000 0.455 368 D N -1.088 119.285 120.400 -0.045 0.000 2.547 368 D HA 0.229 4.877 4.640 0.013 0.000 0.231 368 D C 0.429 176.711 176.300 -0.030 0.000 1.099 368 D CA -0.647 53.329 54.000 -0.040 0.000 0.901 368 D CB 1.250 42.062 40.800 0.021 0.000 1.478 368 D HN 0.700 nan 8.370 nan 0.000 0.471 369 E N 0.552 120.744 120.200 -0.013 0.000 2.118 369 E HA -0.368 3.990 4.350 0.013 0.000 0.195 369 E C 1.523 178.165 176.600 0.069 0.000 0.992 369 E CA 1.288 57.708 56.400 0.032 0.000 0.804 369 E CB 0.095 29.829 29.700 0.056 0.000 0.741 369 E HN 0.660 nan 8.360 nan 0.000 0.458 370 Q N -0.114 119.730 119.800 0.073 0.000 2.084 370 Q HA -0.137 4.211 4.340 0.013 0.000 0.202 370 Q C 1.972 178.028 176.000 0.093 0.000 0.978 370 Q CA 2.087 57.941 55.803 0.086 0.000 0.844 370 Q CB -0.033 28.757 28.738 0.087 0.000 0.898 370 Q HN 0.277 nan 8.270 nan 0.000 0.426 371 T N 1.256 115.870 114.554 0.101 0.000 2.708 371 T HA -0.165 4.193 4.350 0.013 0.000 0.266 371 T C 1.845 176.607 174.700 0.104 0.000 1.037 371 T CA 1.809 63.973 62.100 0.107 0.000 1.146 371 T CB -0.187 68.761 68.868 0.133 0.000 0.865 371 T HN 0.346 nan 8.240 nan 0.000 0.435 372 M N 0.566 120.235 119.600 0.115 0.000 2.117 372 M HA -0.079 4.409 4.480 0.013 0.000 0.262 372 M C 2.491 178.922 176.300 0.218 0.000 1.065 372 M CA 1.228 56.677 55.300 0.249 0.000 1.114 372 M CB -0.764 32.040 32.600 0.341 0.000 1.361 372 M HN 0.080 nan 8.290 nan 0.000 0.408 373 V N 0.465 120.442 119.914 0.104 0.000 2.343 373 V HA -0.289 3.839 4.120 0.013 0.000 0.247 373 V C 2.429 178.512 176.094 -0.018 0.000 1.051 373 V CA 2.094 64.395 62.300 0.003 0.000 1.036 373 V CB -0.781 31.079 31.823 0.062 0.000 0.654 373 V HN 0.561 nan 8.190 nan 0.000 0.451 374 Q N -0.412 119.421 119.800 0.055 0.000 2.084 374 Q HA -0.249 4.099 4.340 0.013 0.000 0.202 374 Q C 1.964 178.024 176.000 0.100 0.000 0.978 374 Q CA 2.038 57.886 55.803 0.075 0.000 0.844 374 Q CB -0.120 28.675 28.738 0.096 0.000 0.898 374 Q HN 0.622 nan 8.270 nan 0.000 0.426 375 D N 0.420 120.895 120.400 0.125 0.000 2.117 375 D HA -0.144 4.504 4.640 0.013 0.000 0.197 375 D C 1.935 178.194 176.300 -0.068 0.000 0.987 375 D CA 1.127 55.204 54.000 0.127 0.000 0.829 375 D CB -0.168 40.681 40.800 0.083 0.000 0.961 375 D HN 0.372 nan 8.370 nan 0.000 0.460 376 I N 0.694 121.209 120.570 -0.091 0.000 2.286 376 I HA -0.218 3.960 4.170 0.013 0.000 0.248 376 I C 2.396 178.368 176.117 -0.241 0.000 1.115 376 I CA 0.550 61.684 61.300 -0.275 0.000 1.392 376 I CB -0.107 37.581 38.000 -0.519 0.000 1.065 376 I HN -0.020 nan 8.210 nan 0.000 0.418 377 L N 0.071 121.198 121.223 -0.161 0.000 2.017 377 L HA -0.218 4.130 4.340 0.013 0.000 0.208 377 L C 2.543 179.469 176.870 0.093 0.000 1.073 377 L CA 1.409 56.244 54.840 -0.008 0.000 0.745 377 L CB -0.621 41.458 42.059 0.033 0.000 0.894 377 L HN 0.250 nan 8.230 nan 0.000 0.432 378 L N -0.951 120.349 121.223 0.128 0.000 2.083 378 L HA -0.234 4.113 4.340 0.013 0.000 0.209 378 L C 2.670 179.699 176.870 0.267 0.000 1.083 378 L CA 1.296 56.293 54.840 0.262 0.000 0.752 378 L CB -0.336 41.996 42.059 0.455 0.000 0.899 378 L HN 0.284 nan 8.230 nan 0.000 0.433 379 M N -0.612 118.979 119.600 -0.015 0.000 2.067 379 M HA -0.236 4.252 4.480 0.013 0.000 0.260 379 M C 2.285 178.680 176.300 0.159 0.000 1.069 379 M CA 1.887 57.092 55.300 -0.158 0.000 1.117 379 M CB -0.316 31.920 32.600 -0.608 0.000 1.334 379 M HN 0.053 nan 8.290 nan 0.000 0.407 380 K N -0.112 120.292 120.400 0.006 0.000 2.097 380 K HA -0.165 4.163 4.320 0.013 0.000 0.205 380 K C 1.992 178.635 176.600 0.072 0.000 1.050 380 K CA 1.246 57.464 56.287 -0.115 0.000 0.938 380 K CB -0.184 32.060 32.500 -0.426 0.000 0.718 380 K HN 0.415 nan 8.250 nan 0.000 0.442 381 Q N 0.417 120.377 119.800 0.266 0.000 2.291 381 Q HA -0.040 4.308 4.340 0.013 0.000 0.205 381 Q C 0.771 177.046 176.000 0.459 0.000 0.970 381 Q CA 0.806 56.829 55.803 0.367 0.000 0.876 381 Q CB 0.158 29.056 28.738 0.266 0.000 0.935 381 Q HN 0.274 nan 8.270 nan 0.000 0.455 382 N N 0.675 119.615 118.700 0.400 0.000 2.279 382 N HA 0.052 4.800 4.740 0.013 0.000 0.226 382 N C -0.634 174.987 175.510 0.185 0.000 1.126 382 N CA 0.040 53.323 53.050 0.387 0.000 0.846 382 N CB 0.671 39.462 38.487 0.507 0.000 1.050 382 N HN 0.180 nan 8.380 nan 0.000 0.502 383 N N 0.116 118.926 118.700 0.185 0.000 2.782 383 N HA -0.187 4.561 4.740 0.013 0.000 0.251 383 N C -0.709 174.719 175.510 -0.136 0.000 1.101 383 N CA 0.805 53.901 53.050 0.078 0.000 0.764 383 N CB -1.739 36.752 38.487 0.006 0.000 1.122 383 N HN 0.244 nan 8.380 nan 0.000 0.561 384 F N 1.293 121.261 119.950 0.030 0.000 2.382 384 F HA 0.303 4.838 4.527 0.013 0.000 0.331 384 F C 1.818 177.601 175.800 -0.028 0.000 1.121 384 F CA -0.358 57.641 58.000 -0.002 0.000 1.183 384 F CB 0.693 39.662 39.000 -0.052 0.000 1.207 384 F HN 0.072 nan 8.300 nan 0.000 0.555 385 N N 0.210 119.012 118.700 0.170 0.000 2.116 385 N HA 0.393 5.141 4.740 0.013 0.000 0.230 385 N C -0.968 174.584 175.510 0.070 0.000 1.326 385 N CA -0.005 53.069 53.050 0.041 0.000 0.867 385 N CB 0.578 39.131 38.487 0.111 0.000 1.174 385 N HN 0.473 nan 8.380 nan 0.000 0.506 386 A N -0.304 122.630 122.820 0.190 0.000 2.549 386 A HA 0.779 5.107 4.320 0.013 0.000 0.297 386 A C -1.651 176.149 177.584 0.360 0.000 1.061 386 A CA -0.738 51.473 52.037 0.290 0.000 0.690 386 A CB 2.058 21.210 19.000 0.253 0.000 1.287 386 A HN 0.237 nan 8.150 nan 0.000 0.402 387 V N 1.456 121.647 119.914 0.462 0.000 2.888 387 V HA 0.781 4.909 4.120 0.013 0.000 0.309 387 V C -0.712 175.534 176.094 0.253 0.000 1.114 387 V CA -0.732 61.783 62.300 0.360 0.000 0.940 387 V CB 1.939 33.889 31.823 0.213 0.000 1.021 387 V HN 1.065 nan 8.190 nan 0.000 0.426 388 R N 4.853 125.360 120.500 0.011 0.000 2.387 388 R HA 0.499 4.847 4.340 0.013 0.000 0.314 388 R C -0.821 175.352 176.300 -0.210 0.000 0.958 388 R CA -0.501 55.417 56.100 -0.303 0.000 0.846 388 R CB 1.051 30.942 30.300 -0.682 0.000 1.147 388 R HN 0.830 nan 8.270 nan 0.000 0.447 389 C N 4.329 123.540 119.300 -0.147 0.000 2.645 389 C HA 0.145 4.613 4.460 0.013 0.000 0.451 389 C C 0.551 175.311 174.990 -0.383 0.000 1.018 389 C CA -0.609 58.286 59.018 -0.205 0.000 1.180 389 C CB -2.051 25.678 27.740 -0.018 0.000 1.563 389 C HN 0.696 nan 8.230 nan 0.000 0.551 390 S N 1.487 116.819 115.700 -0.614 0.000 2.474 390 S HA 0.283 4.760 4.470 0.013 0.000 0.276 390 S C -0.212 173.521 174.600 -1.445 0.000 1.227 390 S CA -0.130 57.483 58.200 -0.978 0.000 1.050 390 S CB 0.334 62.772 63.200 -1.271 0.000 0.939 390 S HN 0.735 nan 8.310 nan 0.000 0.490 391 H N 3.590 121.995 119.070 -1.108 0.000 2.511 391 H HA 0.331 4.894 4.556 0.013 0.000 0.228 391 H C -1.229 173.993 175.328 -0.178 0.000 1.424 391 H CA -0.317 55.513 56.048 -0.363 0.000 1.321 391 H CB -0.161 29.604 29.762 0.004 0.000 1.720 391 H HN 0.886 nan 8.280 nan 0.000 0.512 392 Y N -2.916 117.505 120.300 0.202 0.000 2.765 392 Y HA 0.356 4.915 4.550 0.014 0.000 0.350 392 Y C -3.294 172.722 175.900 0.193 0.000 1.196 392 Y CA -2.984 55.236 58.100 0.199 0.000 1.119 392 Y CB -0.085 38.496 38.460 0.202 0.000 1.368 392 Y HN -0.087 nan 8.280 nan 0.000 0.463 393 P HA 0.161 nan 4.420 nan 0.000 0.268 393 P C -0.647 176.939 177.300 0.477 0.000 1.204 393 P CA 0.278 63.628 63.100 0.416 0.000 0.768 393 P CB 0.560 32.431 31.700 0.285 0.000 0.842 394 N N 0.507 119.511 118.700 0.506 0.000 2.538 394 N HA 0.111 4.859 4.740 0.013 0.000 0.292 394 N C 0.099 175.842 175.510 0.387 0.000 1.262 394 N CA -0.663 52.604 53.050 0.362 0.000 0.976 394 N CB 0.315 38.853 38.487 0.084 0.000 1.161 394 N HN 0.587 nan 8.380 nan 0.000 0.598 395 H N 2.128 121.301 119.070 0.171 0.000 3.001 395 H HA 0.002 4.565 4.556 0.013 0.000 0.334 395 H C -1.664 173.818 175.328 0.257 0.000 1.034 395 H CA -0.859 55.274 56.048 0.141 0.000 1.420 395 H CB 0.936 30.745 29.762 0.079 0.000 1.405 395 H HN 0.414 nan 8.280 nan 0.000 0.593 396 P HA -0.219 nan 4.420 nan 0.000 0.216 396 P C 1.840 179.446 177.300 0.511 0.000 1.150 396 P CA 0.732 64.061 63.100 0.382 0.000 0.843 396 P CB 0.214 31.992 31.700 0.129 0.000 0.787 397 L N -1.081 120.524 121.223 0.637 0.000 2.191 397 L HA -0.064 4.284 4.340 0.013 0.000 0.212 397 L C 2.378 179.422 176.870 0.290 0.000 1.103 397 L CA 1.394 56.473 54.840 0.398 0.000 0.769 397 L CB -1.432 40.789 42.059 0.271 0.000 0.908 397 L HN 0.042 nan 8.230 nan 0.000 0.438 398 W N -0.591 120.734 121.300 0.041 0.000 2.338 398 W HA -0.336 4.331 4.660 0.012 0.000 0.304 398 W C 2.116 178.453 176.519 -0.302 0.000 1.212 398 W CA 1.870 59.093 57.345 -0.203 0.000 1.264 398 W CB -0.339 28.910 29.460 -0.351 0.000 1.142 398 W HN 0.268 nan 8.180 nan 0.000 0.512 399 Y N 0.783 121.023 120.300 -0.101 0.000 2.181 399 Y HA -0.244 4.313 4.550 0.013 0.000 0.288 399 Y C 2.853 178.539 175.900 -0.357 0.000 1.146 399 Y CA 2.284 60.101 58.100 -0.472 0.000 1.164 399 Y CB -1.284 36.513 38.460 -1.104 0.000 0.982 399 Y HN -0.221 nan 8.280 nan 0.000 0.515 400 T N 0.662 115.234 114.554 0.029 0.000 2.746 400 T HA -0.167 4.190 4.350 0.013 0.000 0.267 400 T C 2.005 176.752 174.700 0.078 0.000 1.039 400 T CA 1.462 63.660 62.100 0.164 0.000 1.142 400 T CB -0.576 68.430 68.868 0.230 0.000 0.866 400 T HN 0.229 nan 8.240 nan 0.000 0.444 401 L N 0.306 121.531 121.223 0.003 0.000 2.056 401 L HA -0.088 4.260 4.340 0.013 0.000 0.207 401 L C 2.900 179.763 176.870 -0.013 0.000 1.078 401 L CA 0.873 55.743 54.840 0.050 0.000 0.749 401 L CB -0.674 41.360 42.059 -0.041 0.000 0.901 401 L HN 0.375 nan 8.230 nan 0.000 0.433 402 C N -0.256 118.852 119.300 -0.320 0.000 2.429 402 C HA -0.154 4.314 4.460 0.013 0.000 0.277 402 C C 2.445 177.470 174.990 0.058 0.000 1.262 402 C CA 0.464 59.316 59.018 -0.277 0.000 1.733 402 C CB -0.765 26.707 27.740 -0.447 0.000 2.010 402 C HN 0.538 nan 8.230 nan 0.000 0.483 403 D N 0.398 120.842 120.400 0.072 0.000 2.123 403 D HA -0.115 4.533 4.640 0.013 0.000 0.196 403 D C 2.393 178.908 176.300 0.359 0.000 0.992 403 D CA 1.278 55.397 54.000 0.198 0.000 0.833 403 D CB -0.328 40.562 40.800 0.149 0.000 0.954 403 D HN 0.542 nan 8.370 nan 0.000 0.455 404 R N -1.034 119.578 120.500 0.188 0.000 2.080 404 R HA -0.005 4.343 4.340 0.013 0.000 0.222 404 R C 2.184 178.471 176.300 -0.022 0.000 1.107 404 R CA 0.622 56.764 56.100 0.070 0.000 0.980 404 R CB -0.237 30.031 30.300 -0.052 0.000 0.879 404 R HN 0.279 nan 8.270 nan 0.000 0.439 405 Y N -0.050 120.257 120.300 0.012 0.000 2.475 405 Y HA 0.164 4.722 4.550 0.013 0.000 0.289 405 Y C 0.969 176.793 175.900 -0.127 0.000 1.121 405 Y CA 0.789 58.868 58.100 -0.035 0.000 1.257 405 Y CB 0.696 39.105 38.460 -0.084 0.000 1.026 405 Y HN 0.265 nan 8.280 nan 0.000 0.555 406 G N 1.203 110.039 108.800 0.061 0.000 2.963 406 G HA2 -0.168 3.800 3.960 0.013 0.000 0.262 406 G HA3 -0.168 3.800 3.960 0.013 0.000 0.262 406 G C -1.097 173.630 174.900 -0.288 0.000 1.043 406 G CA -0.521 44.467 45.100 -0.187 0.000 1.223 406 G HN 0.169 nan 8.290 nan 0.000 0.574 407 L N 0.853 121.995 121.223 -0.135 0.000 2.408 407 L HA 0.519 4.867 4.340 0.013 0.000 0.268 407 L C 0.047 176.940 176.870 0.038 0.000 0.986 407 L CA -1.330 53.408 54.840 -0.171 0.000 0.820 407 L CB 1.943 43.913 42.059 -0.147 0.000 1.303 407 L HN 0.396 nan 8.230 nan 0.000 0.411 408 Y N 1.945 122.367 120.300 0.203 0.000 2.402 408 Y HA 0.343 4.902 4.550 0.016 0.000 0.333 408 Y C 0.229 176.263 175.900 0.223 0.000 1.076 408 Y CA -0.689 57.573 58.100 0.270 0.000 1.299 408 Y CB 1.277 39.866 38.460 0.215 0.000 1.197 408 Y HN 0.186 nan 8.280 nan 0.000 0.517 409 V N 4.594 124.699 119.914 0.317 0.000 2.581 409 V HA 0.345 4.473 4.120 0.013 0.000 0.303 409 V C -0.489 175.693 176.094 0.147 0.000 1.041 409 V CA -1.011 61.417 62.300 0.214 0.000 0.907 409 V CB 1.950 33.858 31.823 0.142 0.000 0.994 409 V HN 0.435 nan 8.190 nan 0.000 0.442 410 V N 2.943 122.914 119.914 0.095 0.000 2.328 410 V HA 0.340 4.467 4.120 0.013 0.000 0.278 410 V C -0.387 175.746 176.094 0.065 0.000 1.021 410 V CA -0.427 61.877 62.300 0.007 0.000 0.838 410 V CB 1.375 33.101 31.823 -0.161 0.000 0.999 410 V HN 0.854 nan 8.190 nan 0.000 0.447 411 D N 4.072 124.542 120.400 0.116 0.000 2.313 411 D HA 0.278 4.926 4.640 0.013 0.000 0.239 411 D C -0.208 176.280 176.300 0.314 0.000 1.142 411 D CA -0.089 54.073 54.000 0.269 0.000 0.847 411 D CB 1.303 42.287 40.800 0.306 0.000 1.082 411 D HN 0.659 nan 8.370 nan 0.000 0.480 412 E N 1.801 122.153 120.200 0.252 0.000 2.158 412 E HA 0.596 4.954 4.350 0.013 0.000 0.271 412 E C -0.719 176.023 176.600 0.238 0.000 0.911 412 E CA -0.978 55.558 56.400 0.227 0.000 0.767 412 E CB 1.287 31.075 29.700 0.147 0.000 1.120 412 E HN 0.501 nan 8.360 nan 0.000 0.405 413 A N 3.803 126.754 122.820 0.218 0.000 2.466 413 A HA 0.025 4.353 4.320 0.013 0.000 0.238 413 A C 0.352 178.065 177.584 0.214 0.000 1.074 413 A CA -0.206 51.939 52.037 0.181 0.000 0.774 413 A CB 0.177 19.243 19.000 0.110 0.000 1.015 413 A HN 0.705 nan 8.150 nan 0.000 0.498 414 N N 0.772 119.604 118.700 0.221 0.000 3.245 414 N HA 0.305 5.053 4.740 0.013 0.000 0.296 414 N C -1.131 174.514 175.510 0.225 0.000 1.254 414 N CA 0.109 53.327 53.050 0.281 0.000 1.190 414 N CB -0.800 37.851 38.487 0.273 0.000 1.460 414 N HN 0.457 nan 8.380 nan 0.000 0.538 415 I N 0.932 121.628 120.570 0.209 0.000 2.503 415 I HA 0.259 4.437 4.170 0.013 0.000 0.282 415 I C -0.676 175.546 176.117 0.174 0.000 1.059 415 I CA -0.554 60.849 61.300 0.172 0.000 1.081 415 I CB 1.616 39.685 38.000 0.114 0.000 1.210 415 I HN 0.266 nan 8.210 nan 0.000 0.450 416 E N 4.397 124.703 120.200 0.176 0.000 2.274 416 E HA 0.404 4.762 4.350 0.013 0.000 0.269 416 E C -0.614 176.068 176.600 0.138 0.000 0.891 416 E CA -0.515 55.965 56.400 0.133 0.000 0.784 416 E CB 1.643 31.407 29.700 0.106 0.000 1.225 416 E HN 0.547 nan 8.360 nan 0.000 0.412 417 T N 0.735 115.362 114.554 0.122 0.000 3.448 417 T HA 0.170 4.528 4.350 0.013 0.000 0.271 417 T C 0.837 175.625 174.700 0.145 0.000 1.002 417 T CA -0.366 61.844 62.100 0.184 0.000 0.995 417 T CB -0.271 68.681 68.868 0.140 0.000 1.153 417 T HN 0.672 nan 8.240 nan 0.000 0.510 418 H N 1.296 120.308 119.070 -0.097 0.000 2.353 418 H HA -0.078 4.486 4.556 0.014 0.000 0.298 418 H C 2.367 177.601 175.328 -0.157 0.000 1.103 418 H CA 1.351 57.310 56.048 -0.149 0.000 1.293 418 H CB -0.217 29.422 29.762 -0.205 0.000 1.372 418 H HN 0.598 nan 8.280 nan 0.000 0.501 419 G N 0.473 109.160 108.800 -0.187 0.000 2.625 419 G HA2 -0.104 3.863 3.960 0.013 0.000 0.214 419 G HA3 -0.104 3.863 3.960 0.013 0.000 0.214 419 G C 0.562 175.610 174.900 0.247 0.000 1.132 419 G CA 0.022 45.081 45.100 -0.068 0.000 0.782 419 G HN 0.184 nan 8.290 nan 0.000 0.538 420 M N 0.382 120.158 119.600 0.294 0.000 2.226 420 M HA 0.314 4.802 4.480 0.013 0.000 0.324 420 M C -0.534 175.808 176.300 0.070 0.000 1.112 420 M CA -0.071 55.329 55.300 0.167 0.000 1.176 420 M CB 1.444 34.097 32.600 0.089 0.000 1.430 420 M HN -0.209 nan 8.290 nan 0.000 0.462 421 V N 3.988 123.920 119.914 0.030 0.000 2.447 421 V HA 0.334 4.462 4.120 0.013 0.000 0.292 421 V C -1.956 174.131 176.094 -0.012 0.000 1.021 421 V CA -1.274 61.029 62.300 0.005 0.000 0.850 421 V CB 1.685 33.508 31.823 -0.000 0.000 1.005 421 V HN 0.720 nan 8.190 nan 0.000 0.426 422 P HA 0.227 nan 4.420 nan 0.000 0.277 422 P C 1.065 178.369 177.300 0.006 0.000 1.276 422 P CA -0.485 62.613 63.100 -0.004 0.000 0.788 422 P CB 1.050 32.748 31.700 -0.004 0.000 1.114 423 M N 0.621 120.231 119.600 0.016 0.000 2.149 423 M HA -0.172 4.316 4.480 0.013 0.000 0.261 423 M C 1.334 177.657 176.300 0.038 0.000 1.064 423 M CA 2.032 57.352 55.300 0.033 0.000 1.102 423 M CB -0.505 32.103 32.600 0.013 0.000 1.369 423 M HN 0.349 nan 8.290 nan 0.000 0.408 424 N N 0.187 118.909 118.700 0.037 0.000 2.370 424 N HA -0.102 4.646 4.740 0.013 0.000 0.198 424 N C 1.204 176.698 175.510 -0.027 0.000 1.156 424 N CA 0.270 53.345 53.050 0.042 0.000 0.839 424 N CB -0.758 37.775 38.487 0.077 0.000 0.989 424 N HN 0.405 nan 8.380 nan 0.000 0.468 425 R N 0.450 120.919 120.500 -0.052 0.000 2.103 425 R HA -0.056 4.292 4.340 0.013 0.000 0.242 425 R C 1.557 177.754 176.300 -0.172 0.000 1.142 425 R CA 1.552 57.593 56.100 -0.097 0.000 0.960 425 R CB -0.083 30.157 30.300 -0.099 0.000 0.858 425 R HN 0.300 nan 8.270 nan 0.000 0.439 426 L N -0.703 120.362 121.223 -0.263 0.000 2.127 426 L HA -0.010 4.338 4.340 0.013 0.000 0.203 426 L C 2.563 179.295 176.870 -0.230 0.000 1.080 426 L CA 1.332 55.904 54.840 -0.446 0.000 0.768 426 L CB -0.583 40.984 42.059 -0.819 0.000 0.924 426 L HN 0.363 nan 8.230 nan 0.000 0.444 427 T N -4.238 110.217 114.554 -0.165 0.000 3.007 427 T HA -0.160 4.198 4.350 0.013 0.000 0.270 427 T C 1.357 175.980 174.700 -0.129 0.000 1.107 427 T CA 1.223 63.217 62.100 -0.177 0.000 1.118 427 T CB -0.214 68.512 68.868 -0.236 0.000 0.889 427 T HN 0.116 nan 8.240 nan 0.000 0.506 428 D N 1.205 121.559 120.400 -0.077 0.000 2.350 428 D HA 0.082 4.730 4.640 0.013 0.000 0.213 428 D C -0.068 176.211 176.300 -0.035 0.000 1.031 428 D CA -0.115 53.851 54.000 -0.055 0.000 0.861 428 D CB -0.158 40.616 40.800 -0.044 0.000 0.926 428 D HN 0.366 nan 8.370 nan 0.000 0.520 429 D N 0.055 120.443 120.400 -0.021 0.000 2.313 429 D HA 0.096 4.743 4.640 0.013 0.000 0.239 429 D C -1.639 174.702 176.300 0.068 0.000 1.142 429 D CA -2.190 51.829 54.000 0.032 0.000 0.847 429 D CB 1.786 42.627 40.800 0.068 0.000 1.082 429 D HN -0.030 nan 8.370 nan 0.000 0.480 430 P HA -0.157 nan 4.420 nan 0.000 0.220 430 P C 0.833 178.146 177.300 0.022 0.000 1.144 430 P CA 0.914 64.025 63.100 0.017 0.000 0.800 430 P CB 0.170 31.869 31.700 -0.001 0.000 0.772 431 R N -2.065 118.466 120.500 0.052 0.000 2.235 431 R HA -0.041 4.307 4.340 0.013 0.000 0.213 431 R C 1.538 177.776 176.300 -0.103 0.000 1.059 431 R CA 0.964 57.051 56.100 -0.022 0.000 0.997 431 R CB -0.576 29.705 30.300 -0.033 0.000 0.884 431 R HN 0.321 nan 8.270 nan 0.000 0.462 432 W N 0.174 121.419 121.300 -0.092 0.000 3.177 432 W HA 0.155 4.822 4.660 0.013 0.000 0.309 432 W C 1.547 178.009 176.519 -0.095 0.000 1.224 432 W CA -0.569 56.721 57.345 -0.092 0.000 1.718 432 W CB -0.021 29.383 29.460 -0.094 0.000 1.078 432 W HN -0.020 nan 8.180 nan 0.000 0.618 433 L N 2.276 123.537 121.223 0.063 0.000 2.051 433 L HA -0.142 4.206 4.340 0.013 0.000 0.214 433 L C -0.742 176.094 176.870 -0.056 0.000 1.076 433 L CA 2.362 57.193 54.840 -0.014 0.000 0.758 433 L CB -1.676 40.364 42.059 -0.031 0.000 0.890 433 L HN -0.221 nan 8.230 nan 0.000 0.433 434 P HA -0.115 nan 4.420 nan 0.000 0.214 434 P C 1.640 178.887 177.300 -0.088 0.000 1.162 434 P CA 2.182 65.222 63.100 -0.100 0.000 0.879 434 P CB -0.254 31.377 31.700 -0.116 0.000 0.786 435 A N -1.005 121.776 122.820 -0.065 0.000 1.933 435 A HA -0.183 4.145 4.320 0.013 0.000 0.218 435 A C 2.249 179.845 177.584 0.020 0.000 1.175 435 A CA 1.871 53.901 52.037 -0.013 0.000 0.628 435 A CB -1.431 17.589 19.000 0.034 0.000 0.814 435 A HN 0.106 nan 8.150 nan 0.000 0.444 436 M N 0.005 119.624 119.600 0.030 0.000 2.156 436 M HA -0.132 4.355 4.480 0.013 0.000 0.264 436 M C 2.566 178.813 176.300 -0.089 0.000 1.067 436 M CA 1.715 57.011 55.300 -0.008 0.000 1.131 436 M CB -0.348 32.228 32.600 -0.040 0.000 1.368 436 M HN 0.643 nan 8.290 nan 0.000 0.416 437 S N 0.337 115.957 115.700 -0.132 0.000 2.400 437 S HA -0.177 4.300 4.470 0.013 0.000 0.232 437 S C 1.584 176.013 174.600 -0.286 0.000 1.025 437 S CA 1.416 59.472 58.200 -0.239 0.000 0.993 437 S CB -0.570 62.466 63.200 -0.274 0.000 0.808 437 S HN 0.518 nan 8.310 nan 0.000 0.478 438 E N 0.873 120.956 120.200 -0.195 0.000 2.274 438 E HA -0.021 4.337 4.350 0.013 0.000 0.194 438 E C 2.360 178.871 176.600 -0.147 0.000 0.996 438 E CA 0.556 56.845 56.400 -0.185 0.000 0.840 438 E CB -0.086 29.543 29.700 -0.119 0.000 0.772 438 E HN 0.617 nan 8.360 nan 0.000 0.491 439 R N 0.163 120.605 120.500 -0.098 0.000 2.148 439 R HA -0.050 4.298 4.340 0.013 0.000 0.223 439 R C 2.257 178.515 176.300 -0.070 0.000 1.088 439 R CA 0.666 56.740 56.100 -0.043 0.000 0.985 439 R CB 0.043 30.358 30.300 0.025 0.000 0.880 439 R HN 0.012 nan 8.270 nan 0.000 0.451 440 V N 0.381 120.208 119.914 -0.145 0.000 2.331 440 V HA -0.178 3.950 4.120 0.013 0.000 0.242 440 V C 2.562 178.483 176.094 -0.289 0.000 1.034 440 V CA 2.157 64.352 62.300 -0.176 0.000 1.027 440 V CB -0.422 31.292 31.823 -0.182 0.000 0.667 440 V HN 0.489 nan 8.190 nan 0.000 0.457 441 T N -0.590 113.649 114.554 -0.526 0.000 2.746 441 T HA -0.234 4.124 4.350 0.013 0.000 0.267 441 T C 1.956 176.509 174.700 -0.246 0.000 1.039 441 T CA 1.424 63.114 62.100 -0.683 0.000 1.142 441 T CB -0.417 67.822 68.868 -1.047 0.000 0.866 441 T HN 0.392 nan 8.240 nan 0.000 0.444 442 R N 0.297 120.669 120.500 -0.212 0.000 2.120 442 R HA 0.138 4.486 4.340 0.013 0.000 0.234 442 R C 2.672 178.893 176.300 -0.132 0.000 1.123 442 R CA 1.517 57.529 56.100 -0.146 0.000 0.975 442 R CB -0.500 29.722 30.300 -0.130 0.000 0.866 442 R HN 0.481 nan 8.270 nan 0.000 0.446 443 M N 0.660 120.187 119.600 -0.121 0.000 2.067 443 M HA -0.159 4.329 4.480 0.013 0.000 0.260 443 M C 1.955 178.155 176.300 -0.166 0.000 1.069 443 M CA 1.698 56.948 55.300 -0.083 0.000 1.117 443 M CB 0.031 32.619 32.600 -0.020 0.000 1.334 443 M HN -0.016 nan 8.290 nan 0.000 0.407 444 V N 1.032 120.739 119.914 -0.345 0.000 2.287 444 V HA -0.316 3.812 4.120 0.013 0.000 0.248 444 V C 2.287 178.239 176.094 -0.236 0.000 1.053 444 V CA 2.179 64.115 62.300 -0.607 0.000 1.027 444 V CB -1.017 30.452 31.823 -0.590 0.000 0.646 444 V HN 0.596 nan 8.190 nan 0.000 0.447 445 Q N -0.731 118.991 119.800 -0.131 0.000 2.181 445 Q HA -0.238 4.109 4.340 0.013 0.000 0.205 445 Q C 2.473 178.382 176.000 -0.153 0.000 0.980 445 Q CA 1.649 57.388 55.803 -0.107 0.000 0.862 445 Q CB -0.199 28.506 28.738 -0.056 0.000 0.905 445 Q HN 0.536 nan 8.270 nan 0.000 0.429 446 R N 0.249 120.650 120.500 -0.165 0.000 2.080 446 R HA -0.088 4.260 4.340 0.013 0.000 0.222 446 R C 0.589 176.809 176.300 -0.134 0.000 1.107 446 R CA 1.288 57.264 56.100 -0.206 0.000 0.980 446 R CB 0.405 30.589 30.300 -0.194 0.000 0.879 446 R HN 0.156 nan 8.270 nan 0.000 0.439 447 D N -0.134 120.253 120.400 -0.023 0.000 2.369 447 D HA -0.014 4.634 4.640 0.013 0.000 0.211 447 D C 1.364 177.784 176.300 0.199 0.000 1.077 447 D CA 0.122 54.165 54.000 0.071 0.000 0.842 447 D CB 0.198 41.000 40.800 0.003 0.000 0.947 447 D HN 0.354 nan 8.370 nan 0.000 0.509 448 R N 0.774 121.399 120.500 0.208 0.000 2.303 448 R HA -0.030 4.318 4.340 0.013 0.000 0.225 448 R C 0.605 176.918 176.300 0.023 0.000 1.114 448 R CA 0.964 57.199 56.100 0.224 0.000 1.007 448 R CB -0.269 30.088 30.300 0.094 0.000 0.861 448 R HN -0.053 nan 8.270 nan 0.000 0.471 449 N N 0.128 118.771 118.700 -0.095 0.000 2.236 449 N HA 0.017 4.765 4.740 0.013 0.000 0.196 449 N C -0.556 174.844 175.510 -0.183 0.000 1.114 449 N CA 0.071 53.038 53.050 -0.138 0.000 0.859 449 N CB 0.166 38.554 38.487 -0.166 0.000 0.982 449 N HN 0.264 nan 8.380 nan 0.000 0.493 450 H N 1.654 120.665 119.070 -0.099 0.000 2.819 450 H HA 0.088 4.651 4.556 0.013 0.000 0.303 450 H C -1.185 173.993 175.328 -0.249 0.000 1.058 450 H CA -0.991 54.981 56.048 -0.127 0.000 1.471 450 H CB 1.531 31.249 29.762 -0.074 0.000 1.480 450 H HN 0.066 nan 8.280 nan 0.000 0.517 451 P HA -0.123 nan 4.420 nan 0.000 0.221 451 P C 1.404 178.233 177.300 -0.785 0.000 1.150 451 P CA 0.924 63.676 63.100 -0.580 0.000 0.800 451 P CB 0.269 31.425 31.700 -0.907 0.000 0.787 452 S N -0.639 114.675 115.700 -0.643 0.000 2.400 452 S HA -0.057 4.421 4.470 0.013 0.000 0.232 452 S C 1.134 175.684 174.600 -0.083 0.000 1.025 452 S CA 0.475 58.463 58.200 -0.353 0.000 0.993 452 S CB -1.628 61.556 63.200 -0.027 0.000 0.808 452 S HN -0.052 nan 8.310 nan 0.000 0.478 453 V N 3.549 123.391 119.914 -0.119 0.000 2.479 453 V HA 0.222 4.350 4.120 0.013 0.000 0.281 453 V C 1.060 177.012 176.094 -0.237 0.000 1.031 453 V CA 0.097 62.292 62.300 -0.175 0.000 1.038 453 V CB 0.445 32.040 31.823 -0.379 0.000 0.981 453 V HN 0.634 nan 8.190 nan 0.000 0.478 454 I N 2.495 122.982 120.570 -0.139 0.000 4.227 454 I HA 0.533 4.711 4.170 0.013 0.000 0.334 454 I C 0.270 176.291 176.117 -0.160 0.000 1.341 454 I CA 0.414 61.649 61.300 -0.107 0.000 1.123 454 I CB 0.475 38.498 38.000 0.037 0.000 1.097 454 I HN 0.327 nan 8.210 nan 0.000 0.399 455 I N 0.269 120.709 120.570 -0.215 0.000 2.692 455 I HA 0.340 4.518 4.170 0.013 0.000 0.293 455 I C -1.602 174.422 176.117 -0.155 0.000 1.200 455 I CA -0.370 60.850 61.300 -0.133 0.000 1.036 455 I CB 2.030 40.039 38.000 0.016 0.000 1.258 455 I HN 0.030 nan 8.210 nan 0.000 0.421 456 W N 3.930 125.278 121.300 0.080 0.000 2.438 456 W HA 0.621 5.288 4.660 0.011 0.000 0.324 456 W C 0.428 177.011 176.519 0.106 0.000 1.119 456 W CA -0.589 56.809 57.345 0.087 0.000 1.221 456 W CB 1.713 31.219 29.460 0.076 0.000 1.253 456 W HN 0.319 nan 8.180 nan 0.000 0.555 457 S N 2.757 118.687 115.700 0.383 0.000 2.521 457 S HA 0.370 4.848 4.470 0.013 0.000 0.295 457 S C 0.365 175.128 174.600 0.273 0.000 1.098 457 S CA -0.723 57.651 58.200 0.290 0.000 0.999 457 S CB 0.812 64.135 63.200 0.203 0.000 1.034 457 S HN 0.572 nan 8.310 nan 0.000 0.483 458 L N 3.993 125.365 121.223 0.248 0.000 2.622 458 L HA 0.300 4.648 4.340 0.013 0.000 0.233 458 L C 1.450 178.368 176.870 0.080 0.000 1.156 458 L CA 0.591 55.489 54.840 0.096 0.000 0.866 458 L CB -1.279 40.722 42.059 -0.096 0.000 0.980 458 L HN 0.976 nan 8.230 nan 0.000 0.448 459 G N -0.120 108.821 108.800 0.234 0.000 2.270 459 G HA2 -0.111 3.857 3.960 0.013 0.000 0.268 459 G HA3 -0.111 3.857 3.960 0.013 0.000 0.268 459 G C -1.706 173.384 174.900 0.317 0.000 1.312 459 G CA -0.532 44.712 45.100 0.240 0.000 1.050 459 G HN 0.163 nan 8.290 nan 0.000 0.474 460 N N 0.018 118.837 118.700 0.198 0.000 2.277 460 N HA 0.494 5.241 4.740 0.013 0.000 0.286 460 N C -0.344 175.128 175.510 -0.063 0.000 1.140 460 N CA 0.034 53.062 53.050 -0.037 0.000 0.799 460 N CB 1.704 39.860 38.487 -0.551 0.000 1.596 460 N HN 0.863 nan 8.380 nan 0.000 0.473 461 E N 0.502 120.572 120.200 -0.216 0.000 2.160 461 E HA -0.180 4.177 4.350 0.013 0.000 0.180 461 E C -0.802 175.722 176.600 -0.127 0.000 1.452 461 E CA 0.704 56.904 56.400 -0.333 0.000 0.683 461 E CB -1.230 28.049 29.700 -0.701 0.000 1.072 461 E HN 0.425 nan 8.360 nan 0.000 0.332 462 S N 0.012 115.778 115.700 0.110 0.000 2.941 462 S HA 0.396 4.873 4.470 0.013 0.000 0.251 462 S C 0.590 175.356 174.600 0.276 0.000 1.029 462 S CA -0.101 58.225 58.200 0.211 0.000 1.062 462 S CB 1.407 64.789 63.200 0.303 0.000 0.977 462 S HN 0.849 nan 8.310 nan 0.000 0.552 463 G N 1.937 110.832 108.800 0.158 0.000 2.601 463 G HA2 -0.254 3.714 3.960 0.013 0.000 0.252 463 G HA3 -0.254 3.714 3.960 0.013 0.000 0.252 463 G C -0.534 174.561 174.900 0.326 0.000 1.294 463 G CA -0.143 45.054 45.100 0.161 0.000 0.912 463 G HN 0.643 nan 8.290 nan 0.000 0.574 464 H N 0.287 119.468 119.070 0.186 0.000 3.013 464 H HA 0.569 5.133 4.556 0.013 0.000 0.326 464 H C 0.301 175.786 175.328 0.262 0.000 0.973 464 H CA -0.126 56.065 56.048 0.239 0.000 1.369 464 H CB 0.657 30.487 29.762 0.113 0.000 1.598 464 H HN 1.090 nan 8.280 nan 0.000 0.518 465 G N 1.477 110.472 108.800 0.325 0.000 2.600 465 G HA2 0.458 4.426 3.960 0.013 0.000 0.303 465 G HA3 0.458 4.426 3.960 0.013 0.000 0.303 465 G C 0.599 175.467 174.900 -0.054 0.000 1.253 465 G CA -0.170 44.931 45.100 0.002 0.000 0.974 465 G HN 0.672 nan 8.290 nan 0.000 0.483 466 A N 0.370 123.137 122.820 -0.089 0.000 1.978 466 A HA -0.099 4.229 4.320 0.013 0.000 0.220 466 A C 2.145 179.722 177.584 -0.012 0.000 1.170 466 A CA 1.904 53.912 52.037 -0.048 0.000 0.636 466 A CB -0.474 18.504 19.000 -0.037 0.000 0.810 466 A HN 0.542 nan 8.150 nan 0.000 0.448 467 N N -0.188 118.471 118.700 -0.068 0.000 2.205 467 N HA -0.170 4.578 4.740 0.013 0.000 0.186 467 N C 1.340 176.813 175.510 -0.062 0.000 1.015 467 N CA 1.786 54.780 53.050 -0.093 0.000 0.862 467 N CB -0.671 37.714 38.487 -0.170 0.000 0.986 467 N HN 0.795 nan 8.380 nan 0.000 0.429 468 H N 0.024 119.101 119.070 0.011 0.000 2.395 468 H HA 0.028 4.592 4.556 0.013 0.000 0.299 468 H C 1.229 176.636 175.328 0.132 0.000 1.070 468 H CA 1.005 57.064 56.048 0.019 0.000 1.356 468 H CB 0.223 30.007 29.762 0.037 0.000 1.401 468 H HN 0.187 nan 8.280 nan 0.000 0.524 469 D N 0.382 120.953 120.400 0.284 0.000 2.144 469 D HA -0.093 4.555 4.640 0.013 0.000 0.200 469 D C 2.289 178.748 176.300 0.265 0.000 0.978 469 D CA 1.061 55.226 54.000 0.275 0.000 0.833 469 D CB -0.248 40.671 40.800 0.198 0.000 0.961 469 D HN 0.409 nan 8.370 nan 0.000 0.470 470 A N 0.920 123.842 122.820 0.170 0.000 1.902 470 A HA -0.124 4.203 4.320 0.013 0.000 0.217 470 A C 2.381 180.064 177.584 0.165 0.000 1.181 470 A CA 0.992 53.111 52.037 0.138 0.000 0.623 470 A CB -0.713 18.326 19.000 0.065 0.000 0.818 470 A HN 0.197 nan 8.150 nan 0.000 0.443 471 L N -2.312 118.998 121.223 0.144 0.000 2.179 471 L HA -0.086 4.262 4.340 0.013 0.000 0.208 471 L C 2.522 179.525 176.870 0.222 0.000 1.096 471 L CA 1.169 56.093 54.840 0.139 0.000 0.779 471 L CB -0.666 41.411 42.059 0.030 0.000 0.922 471 L HN 0.566 nan 8.230 nan 0.000 0.443 472 Y N 1.510 121.890 120.300 0.133 0.000 2.114 472 Y HA -0.350 4.206 4.550 0.010 0.000 0.282 472 Y C 2.823 178.802 175.900 0.132 0.000 1.165 472 Y CA 1.880 60.060 58.100 0.134 0.000 1.148 472 Y CB -0.203 38.337 38.460 0.134 0.000 0.972 472 Y HN -0.029 nan 8.280 nan 0.000 0.504 473 R N -0.249 120.310 120.500 0.098 0.000 2.073 473 R HA -0.219 4.129 4.340 0.013 0.000 0.234 473 R C 2.112 178.409 176.300 -0.006 0.000 1.134 473 R CA 2.093 58.200 56.100 0.013 0.000 0.952 473 R CB -1.520 28.872 30.300 0.154 0.000 0.850 473 R HN 0.634 nan 8.270 nan 0.000 0.433 474 W N 0.620 121.870 121.300 -0.083 0.000 2.317 474 W HA -0.219 4.449 4.660 0.014 0.000 0.318 474 W C 1.711 178.134 176.519 -0.159 0.000 1.227 474 W CA 2.293 59.577 57.345 -0.101 0.000 1.269 474 W CB -0.351 29.054 29.460 -0.092 0.000 1.155 474 W HN 0.130 nan 8.180 nan 0.000 0.484 475 I N 0.732 121.306 120.570 0.007 0.000 2.286 475 I HA -0.332 3.846 4.170 0.013 0.000 0.248 475 I C 2.393 178.314 176.117 -0.327 0.000 1.115 475 I CA 1.282 62.423 61.300 -0.264 0.000 1.392 475 I CB -0.674 37.244 38.000 -0.137 0.000 1.065 475 I HN -0.106 nan 8.210 nan 0.000 0.418 476 K N 0.652 120.861 120.400 -0.319 0.000 2.147 476 K HA -0.064 4.263 4.320 0.013 0.000 0.205 476 K C 2.171 178.636 176.600 -0.226 0.000 1.049 476 K CA 1.322 57.447 56.287 -0.271 0.000 0.936 476 K CB -0.364 31.940 32.500 -0.326 0.000 0.722 476 K HN 0.310 nan 8.250 nan 0.000 0.446 477 S N 0.548 116.086 115.700 -0.270 0.000 2.425 477 S HA -0.013 4.465 4.470 0.013 0.000 0.225 477 S C 2.147 176.557 174.600 -0.317 0.000 1.024 477 S CA 0.392 58.448 58.200 -0.240 0.000 0.951 477 S CB 0.023 63.094 63.200 -0.214 0.000 0.796 477 S HN -0.031 nan 8.310 nan 0.000 0.498 478 V N 1.442 121.042 119.914 -0.523 0.000 2.649 478 V HA 0.070 4.197 4.120 0.013 0.000 0.248 478 V C 0.283 176.127 176.094 -0.417 0.000 1.054 478 V CA 1.165 63.098 62.300 -0.612 0.000 1.073 478 V CB -0.135 30.974 31.823 -1.189 0.000 0.699 478 V HN 0.405 nan 8.190 nan 0.000 0.463 479 D N -0.783 119.429 120.400 -0.313 0.000 2.328 479 D HA 0.237 4.884 4.640 0.013 0.000 0.243 479 D C -2.370 173.903 176.300 -0.046 0.000 1.324 479 D CA -1.458 52.461 54.000 -0.135 0.000 0.966 479 D CB 1.835 42.625 40.800 -0.016 0.000 1.324 479 D HN 0.081 nan 8.370 nan 0.000 0.549 480 P HA 0.039 nan 4.420 nan 0.000 0.255 480 P C 1.160 178.473 177.300 0.022 0.000 1.248 480 P CA 0.181 63.269 63.100 -0.020 0.000 0.807 480 P CB 0.258 31.941 31.700 -0.029 0.000 1.150 481 S N -0.545 115.176 115.700 0.034 0.000 2.447 481 S HA -0.033 4.445 4.470 0.013 0.000 0.233 481 S C 0.987 175.614 174.600 0.044 0.000 1.006 481 S CA 0.294 58.522 58.200 0.046 0.000 0.957 481 S CB -0.470 62.752 63.200 0.036 0.000 0.773 481 S HN 0.097 nan 8.310 nan 0.000 0.507 482 R N 1.181 121.717 120.500 0.059 0.000 2.621 482 R HA 0.570 4.917 4.340 0.013 0.000 0.292 482 R C -3.151 173.197 176.300 0.081 0.000 0.969 482 R CA -2.328 53.783 56.100 0.019 0.000 0.887 482 R CB 1.529 31.748 30.300 -0.136 0.000 1.180 482 R HN 0.164 nan 8.270 nan 0.000 0.450 483 P HA 0.108 nan 4.420 nan 0.000 0.274 483 P C -0.818 176.585 177.300 0.171 0.000 1.237 483 P CA -0.397 62.766 63.100 0.105 0.000 0.793 483 P CB 0.742 32.490 31.700 0.080 0.000 0.977 484 V N 2.608 122.657 119.914 0.226 0.000 2.435 484 V HA 0.422 4.550 4.120 0.013 0.000 0.290 484 V C 0.234 176.510 176.094 0.304 0.000 1.030 484 V CA -0.274 62.208 62.300 0.304 0.000 0.881 484 V CB 1.084 33.090 31.823 0.305 0.000 0.983 484 V HN 0.603 nan 8.190 nan 0.000 0.445 485 Q N 3.869 123.826 119.800 0.261 0.000 2.433 485 Q HA 0.768 5.115 4.340 0.013 0.000 0.279 485 Q C -2.000 174.151 176.000 0.251 0.000 1.105 485 Q CA -0.879 55.040 55.803 0.193 0.000 0.815 485 Q CB 2.936 31.736 28.738 0.104 0.000 1.403 485 Q HN 0.634 nan 8.270 nan 0.000 0.435 486 Y N 0.467 120.760 120.300 -0.013 0.000 2.436 486 Y HA 0.172 4.729 4.550 0.012 0.000 0.327 486 Y C -0.450 175.370 175.900 -0.135 0.000 1.138 486 Y CA -0.816 57.240 58.100 -0.073 0.000 1.042 486 Y CB 2.219 40.617 38.460 -0.102 0.000 1.302 486 Y HN 0.949 nan 8.280 nan 0.000 0.439 487 E N 3.214 122.910 120.200 -0.840 0.000 2.276 487 E HA 0.137 4.495 4.350 0.013 0.000 0.193 487 E C 0.582 176.753 176.600 -0.716 0.000 0.983 487 E CA 0.681 56.706 56.400 -0.624 0.000 0.861 487 E CB 0.243 29.708 29.700 -0.391 0.000 0.817 487 E HN 0.880 nan 8.360 nan 0.000 0.485 488 G N 0.016 108.027 108.800 -1.314 0.000 2.391 488 G HA2 0.232 4.200 3.960 0.013 0.000 0.234 488 G HA3 0.232 4.200 3.960 0.013 0.000 0.234 488 G C 0.807 175.506 174.900 -0.335 0.000 1.284 488 G CA 0.341 44.980 45.100 -0.768 0.000 0.873 488 G HN 0.375 nan 8.290 nan 0.000 0.549 489 G N -0.147 108.581 108.800 -0.120 0.000 2.147 489 G HA2 0.230 4.198 3.960 0.013 0.000 0.244 489 G HA3 0.230 4.198 3.960 0.013 0.000 0.244 489 G C 1.269 176.153 174.900 -0.027 0.000 1.005 489 G CA 0.929 46.030 45.100 0.002 0.000 0.713 489 G HN 2.623 nan 8.290 nan 0.000 0.515 490 G N -1.405 107.365 108.800 -0.049 0.000 2.211 490 G HA2 0.406 4.374 3.960 0.013 0.000 0.201 490 G HA3 0.406 4.374 3.960 0.013 0.000 0.201 490 G C 1.168 176.149 174.900 0.136 0.000 0.997 490 G CA 1.356 46.492 45.100 0.060 0.000 0.652 490 G HN 2.336 nan 8.290 nan 0.000 0.500 491 A N -0.177 122.611 122.820 -0.053 0.000 3.420 491 A HA -0.133 4.195 4.320 0.013 0.000 0.269 491 A C 1.077 178.595 177.584 -0.110 0.000 1.122 491 A CA 2.664 54.623 52.037 -0.129 0.000 1.023 491 A CB -1.771 17.124 19.000 -0.174 0.000 1.099 491 A HN 2.103 nan 8.150 nan 0.000 0.860 492 D N -1.071 119.344 120.400 0.025 0.000 2.760 492 D HA 0.308 4.956 4.640 0.013 0.000 0.314 492 D C 0.363 176.659 176.300 -0.006 0.000 1.464 492 D CA 0.729 54.749 54.000 0.034 0.000 0.797 492 D CB -1.161 39.809 40.800 0.283 0.000 1.149 492 D HN 0.792 nan 8.370 nan 0.000 0.455 493 T N -2.488 111.989 114.554 -0.128 0.000 2.732 493 T HA 0.215 4.572 4.350 0.013 0.000 0.287 493 T C 1.661 176.239 174.700 -0.203 0.000 0.993 493 T CA 0.438 62.408 62.100 -0.216 0.000 0.966 493 T CB 0.883 69.364 68.868 -0.645 0.000 1.047 493 T HN 0.077 nan 8.240 nan 0.000 0.527 494 T N -2.446 112.006 114.554 -0.171 0.000 3.098 494 T HA 0.140 4.498 4.350 0.013 0.000 0.266 494 T C 1.691 176.152 174.700 -0.399 0.000 1.145 494 T CA 0.431 62.433 62.100 -0.163 0.000 1.092 494 T CB -0.564 68.294 68.868 -0.016 0.000 0.908 494 T HN 0.827 nan 8.240 nan 0.000 0.526 495 A N 0.371 122.949 122.820 -0.403 0.000 2.345 495 A HA 0.461 4.789 4.320 0.013 0.000 0.225 495 A C 0.989 178.330 177.584 -0.405 0.000 1.243 495 A CA -0.087 51.650 52.037 -0.500 0.000 0.875 495 A CB 0.012 18.963 19.000 -0.082 0.000 0.929 495 A HN 0.451 nan 8.150 nan 0.000 0.502 496 T N -1.595 112.771 114.554 -0.313 0.000 2.893 496 T HA 0.392 4.750 4.350 0.013 0.000 0.293 496 T C -0.510 174.184 174.700 -0.010 0.000 1.027 496 T CA -0.455 61.608 62.100 -0.061 0.000 0.988 496 T CB 1.348 70.178 68.868 -0.063 0.000 1.043 496 T HN 0.067 nan 8.240 nan 0.000 0.461 497 D N 2.648 123.124 120.400 0.126 0.000 2.354 497 D HA 0.288 4.936 4.640 0.013 0.000 0.209 497 D C 0.285 176.610 176.300 0.042 0.000 1.015 497 D CA 0.643 54.715 54.000 0.121 0.000 0.867 497 D CB 0.409 41.317 40.800 0.181 0.000 0.933 497 D HN 0.531 nan 8.370 nan 0.000 0.520 498 I N 1.085 121.660 120.570 0.009 0.000 2.545 498 I HA 0.252 4.430 4.170 0.013 0.000 0.292 498 I C -0.126 175.919 176.117 -0.120 0.000 1.040 498 I CA -0.894 60.377 61.300 -0.047 0.000 1.068 498 I CB 2.827 40.810 38.000 -0.027 0.000 1.251 498 I HN -0.341 nan 8.210 nan 0.000 0.424 499 I N 5.662 126.115 120.570 -0.194 0.000 2.505 499 I HA 0.019 4.197 4.170 0.013 0.000 0.287 499 I C 0.307 176.212 176.117 -0.354 0.000 1.104 499 I CA 0.052 61.139 61.300 -0.355 0.000 1.387 499 I CB 0.091 37.772 38.000 -0.532 0.000 1.404 499 I HN 0.685 nan 8.210 nan 0.000 0.528 500 C N 5.647 124.746 119.300 -0.335 0.000 3.290 500 C HA 0.460 4.928 4.460 0.013 0.000 0.206 500 C C -2.035 172.800 174.990 -0.258 0.000 1.639 500 C CA -2.229 56.642 59.018 -0.246 0.000 1.408 500 C CB -0.891 26.766 27.740 -0.138 0.000 2.197 500 C HN 0.446 nan 8.230 nan 0.000 0.508 501 P HA 0.302 nan 4.420 nan 0.000 0.272 501 P C -0.448 176.773 177.300 -0.131 0.000 1.240 501 P CA 0.369 63.342 63.100 -0.212 0.000 0.791 501 P CB 0.791 32.366 31.700 -0.209 0.000 0.978 502 M N 0.229 119.770 119.600 -0.098 0.000 2.181 502 M HA 0.437 4.925 4.480 0.013 0.000 0.323 502 M C -0.762 175.467 176.300 -0.118 0.000 1.004 502 M CA -0.692 54.427 55.300 -0.302 0.000 0.941 502 M CB 1.240 33.616 32.600 -0.373 0.000 1.579 502 M HN 0.372 nan 8.290 nan 0.000 0.427 503 Y N -0.416 120.048 120.300 0.274 0.000 4.729 503 Y HA -0.216 4.343 4.550 0.014 0.000 0.239 503 Y C 0.539 176.620 175.900 0.301 0.000 1.043 503 Y CA 0.347 58.620 58.100 0.288 0.000 2.045 503 Y CB -2.150 36.470 38.460 0.266 0.000 1.599 503 Y HN 0.977 nan 8.280 nan 0.000 0.655 504 A N 1.256 124.292 122.820 0.360 0.000 2.407 504 A HA 0.623 4.951 4.320 0.013 0.000 0.248 504 A C 0.684 178.505 177.584 0.395 0.000 1.082 504 A CA -0.445 51.816 52.037 0.373 0.000 0.785 504 A CB 0.440 19.694 19.000 0.423 0.000 1.020 504 A HN 0.405 nan 8.150 nan 0.000 0.489 505 R N 1.269 121.926 120.500 0.262 0.000 2.546 505 R HA 0.377 4.725 4.340 0.013 0.000 0.266 505 R C 0.939 177.220 176.300 -0.032 0.000 1.086 505 R CA -0.825 55.346 56.100 0.118 0.000 1.160 505 R CB 0.524 30.856 30.300 0.053 0.000 1.138 505 R HN 0.443 nan 8.270 nan 0.000 0.567 506 V N 0.643 120.378 119.914 -0.298 0.000 2.244 506 V HA -0.214 3.914 4.120 0.013 0.000 0.244 506 V C 1.007 177.001 176.094 -0.167 0.000 1.042 506 V CA 1.906 64.005 62.300 -0.336 0.000 1.006 506 V CB -0.254 31.249 31.823 -0.534 0.000 0.641 506 V HN 0.755 nan 8.190 nan 0.000 0.446 507 D N -1.406 118.920 120.400 -0.123 0.000 2.454 507 D HA 0.097 4.745 4.640 0.013 0.000 0.214 507 D C 0.885 177.174 176.300 -0.018 0.000 1.088 507 D CA 0.037 53.999 54.000 -0.064 0.000 0.855 507 D CB 0.624 41.388 40.800 -0.060 0.000 1.025 507 D HN 0.504 nan 8.370 nan 0.000 0.502 508 E N 1.905 122.096 120.200 -0.013 0.000 2.194 508 E HA 0.093 4.450 4.350 0.013 0.000 0.284 508 E C -0.747 175.865 176.600 0.021 0.000 1.035 508 E CA -0.557 55.845 56.400 0.003 0.000 0.836 508 E CB 0.825 30.524 29.700 -0.001 0.000 1.070 508 E HN -0.188 nan 8.360 nan 0.000 0.401 509 D N 3.690 124.105 120.400 0.026 0.000 2.313 509 D HA 0.140 4.788 4.640 0.013 0.000 0.247 509 D C -0.549 175.675 176.300 -0.127 0.000 1.094 509 D CA 0.133 54.153 54.000 0.034 0.000 0.925 509 D CB 1.223 42.123 40.800 0.167 0.000 1.188 509 D HN 0.437 nan 8.370 nan 0.000 0.430 510 Q N 1.045 120.655 119.800 -0.316 0.000 3.244 510 Q HA 0.217 4.565 4.340 0.013 0.000 0.249 510 Q C -2.286 173.199 176.000 -0.858 0.000 0.951 510 Q CA -1.398 54.050 55.803 -0.593 0.000 0.740 510 Q CB 2.183 30.523 28.738 -0.664 0.000 1.334 510 Q HN 0.179 nan 8.270 nan 0.000 0.448 511 P HA -0.070 nan 4.420 nan 0.000 0.235 511 P C -0.680 176.334 177.300 -0.478 0.000 1.720 511 P CA 0.177 62.905 63.100 -0.620 0.000 1.003 511 P CB -0.644 30.900 31.700 -0.260 0.000 1.968 512 F N 2.539 122.318 119.950 -0.285 0.000 2.496 512 F HA 0.184 4.718 4.527 0.012 0.000 0.344 512 F C -1.135 174.569 175.800 -0.160 0.000 1.155 512 F CA -2.177 55.718 58.000 -0.175 0.000 1.302 512 F CB -0.743 38.173 39.000 -0.139 0.000 1.159 512 F HN 0.111 nan 8.300 nan 0.000 0.595 513 P HA 0.194 nan 4.420 nan 0.000 0.271 513 P C 0.248 177.569 177.300 0.034 0.000 1.216 513 P CA 0.767 63.890 63.100 0.038 0.000 0.776 513 P CB 1.250 32.970 31.700 0.033 0.000 0.881 514 A N 2.736 125.569 122.820 0.022 0.000 2.070 514 A HA -0.250 4.078 4.320 0.013 0.000 0.231 514 A C 0.742 178.336 177.584 0.017 0.000 0.501 514 A CA 2.036 54.088 52.037 0.025 0.000 1.119 514 A CB -2.757 16.256 19.000 0.022 0.000 1.430 514 A HN 0.725 nan 8.150 nan 0.000 0.706 515 V N -2.670 117.248 119.914 0.006 0.000 2.361 515 V HA 0.582 4.710 4.120 0.013 0.000 0.252 515 V C -2.231 173.853 176.094 -0.017 0.000 0.986 515 V CA -1.304 60.993 62.300 -0.004 0.000 1.033 515 V CB 0.537 32.346 31.823 -0.022 0.000 1.282 515 V HN 0.525 nan 8.190 nan 0.000 0.514 516 P HA 0.287 nan 4.420 nan 0.000 0.272 516 P C -0.652 176.291 177.300 -0.594 0.000 1.240 516 P CA -0.013 62.776 63.100 -0.519 0.000 0.791 516 P CB 1.014 31.890 31.700 -1.373 0.000 0.978 517 K N 1.649 121.744 120.400 -0.507 0.000 2.478 517 K HA 0.206 4.534 4.320 0.013 0.000 0.236 517 K C -0.420 175.940 176.600 -0.399 0.000 1.021 517 K CA -0.273 55.888 56.287 -0.209 0.000 1.010 517 K CB 0.392 33.031 32.500 0.232 0.000 1.331 517 K HN 0.469 nan 8.250 nan 0.000 0.470 518 W N 1.315 122.371 121.300 -0.406 0.000 2.079 518 W HA 0.020 4.690 4.660 0.016 0.000 0.354 518 W C 1.406 177.946 176.519 0.034 0.000 1.302 518 W CA -0.403 56.770 57.345 -0.287 0.000 1.281 518 W CB 0.369 29.474 29.460 -0.591 0.000 1.165 518 W HN 0.361 nan 8.180 nan 0.000 0.603 519 S N 2.735 118.612 115.700 0.296 0.000 2.552 519 S HA -0.058 4.420 4.470 0.013 0.000 0.289 519 S C 1.118 175.877 174.600 0.265 0.000 1.304 519 S CA -0.251 58.062 58.200 0.188 0.000 1.063 519 S CB 0.170 63.426 63.200 0.093 0.000 0.848 519 S HN 0.507 nan 8.310 nan 0.000 0.499 520 I N 1.543 122.235 120.570 0.204 0.000 2.493 520 I HA -0.086 4.092 4.170 0.013 0.000 0.254 520 I C 2.084 178.249 176.117 0.080 0.000 1.160 520 I CA 1.134 62.562 61.300 0.214 0.000 1.445 520 I CB -0.390 37.679 38.000 0.115 0.000 1.086 520 I HN 0.581 nan 8.210 nan 0.000 0.433 521 K N 1.662 122.012 120.400 -0.084 0.000 2.057 521 K HA -0.148 4.180 4.320 0.013 0.000 0.206 521 K C 2.327 178.931 176.600 0.007 0.000 1.050 521 K CA 1.589 57.734 56.287 -0.236 0.000 0.935 521 K CB -0.127 32.171 32.500 -0.336 0.000 0.715 521 K HN 0.329 nan 8.250 nan 0.000 0.439 522 K N -0.039 120.388 120.400 0.045 0.000 2.097 522 K HA -0.191 4.137 4.320 0.013 0.000 0.205 522 K C 1.912 178.549 176.600 0.061 0.000 1.050 522 K CA 1.045 57.348 56.287 0.027 0.000 0.938 522 K CB -0.140 32.340 32.500 -0.033 0.000 0.718 522 K HN 0.219 nan 8.250 nan 0.000 0.442 523 W N 2.198 123.504 121.300 0.009 0.000 2.318 523 W HA -0.232 4.433 4.660 0.009 0.000 0.313 523 W C 1.706 178.224 176.519 -0.003 0.000 1.221 523 W CA 1.334 58.702 57.345 0.038 0.000 1.266 523 W CB -0.759 28.791 29.460 0.150 0.000 1.150 523 W HN 0.104 nan 8.180 nan 0.000 0.496 524 L N 0.668 122.074 121.223 0.306 0.000 2.043 524 L HA -0.262 4.086 4.340 0.013 0.000 0.212 524 L C 2.196 179.143 176.870 0.129 0.000 1.075 524 L CA 2.077 57.024 54.840 0.178 0.000 0.752 524 L CB -1.167 40.983 42.059 0.151 0.000 0.891 524 L HN -0.032 nan 8.230 nan 0.000 0.432 525 S N -1.181 114.578 115.700 0.097 0.000 2.597 525 S HA 0.275 4.753 4.470 0.013 0.000 0.224 525 S C 0.578 175.176 174.600 -0.004 0.000 0.955 525 S CA -0.505 57.722 58.200 0.045 0.000 0.933 525 S CB -0.514 62.707 63.200 0.036 0.000 0.788 525 S HN 0.150 nan 8.310 nan 0.000 0.488 526 L N 2.021 123.234 121.223 -0.015 0.000 2.529 526 L HA 0.163 4.511 4.340 0.013 0.000 0.287 526 L C -2.199 174.646 176.870 -0.042 0.000 1.241 526 L CA -1.496 53.286 54.840 -0.097 0.000 0.857 526 L CB -0.406 41.574 42.059 -0.131 0.000 1.113 526 L HN 0.020 nan 8.230 nan 0.000 0.504 527 P HA -0.042 nan 4.420 nan 0.000 0.261 527 P C 0.768 178.064 177.300 -0.007 0.000 1.173 527 P CA 1.029 64.109 63.100 -0.033 0.000 0.760 527 P CB 0.516 32.191 31.700 -0.042 0.000 0.783 528 G N 1.602 110.404 108.800 0.004 0.000 2.189 528 G HA2 -0.301 3.666 3.960 0.013 0.000 0.267 528 G HA3 -0.301 3.666 3.960 0.013 0.000 0.267 528 G C 0.266 175.184 174.900 0.030 0.000 0.975 528 G CA 0.364 45.473 45.100 0.016 0.000 0.644 528 G HN 0.635 nan 8.290 nan 0.000 0.537 529 E N 0.764 120.987 120.200 0.039 0.000 2.313 529 E HA 0.599 4.957 4.350 0.013 0.000 0.276 529 E C 1.344 177.973 176.600 0.048 0.000 1.031 529 E CA 0.566 57.002 56.400 0.061 0.000 0.857 529 E CB 0.764 30.529 29.700 0.107 0.000 1.040 529 E HN 0.504 nan 8.360 nan 0.000 0.408 530 T N 0.594 115.173 114.554 0.041 0.000 3.130 530 T HA 0.329 4.687 4.350 0.013 0.000 0.288 530 T C 0.548 175.260 174.700 0.020 0.000 0.936 530 T CA -0.471 61.647 62.100 0.030 0.000 0.897 530 T CB 0.062 68.946 68.868 0.026 0.000 1.178 530 T HN 0.268 nan 8.240 nan 0.000 0.543 531 R N 2.317 122.825 120.500 0.013 0.000 2.707 531 R HA 0.442 4.790 4.340 0.013 0.000 0.270 531 R C -2.516 173.766 176.300 -0.030 0.000 1.083 531 R CA -1.710 54.385 56.100 -0.009 0.000 1.182 531 R CB -0.019 30.266 30.300 -0.025 0.000 1.084 531 R HN 0.237 nan 8.270 nan 0.000 0.528 532 P HA 0.120 nan 4.420 nan 0.000 0.276 532 P C -1.099 176.132 177.300 -0.114 0.000 1.244 532 P CA -0.161 62.898 63.100 -0.067 0.000 0.801 532 P CB 0.754 32.414 31.700 -0.066 0.000 1.006 533 L N 3.007 124.143 121.223 -0.144 0.000 2.349 533 L HA 0.567 4.915 4.340 0.013 0.000 0.278 533 L C -0.978 175.748 176.870 -0.240 0.000 0.996 533 L CA -0.593 54.122 54.840 -0.210 0.000 0.825 533 L CB 0.625 42.564 42.059 -0.201 0.000 1.243 533 L HN 0.242 nan 8.230 nan 0.000 0.412 534 I N 5.600 126.029 120.570 -0.235 0.000 2.500 534 I HA 0.258 4.436 4.170 0.013 0.000 0.286 534 I C -0.822 175.183 176.117 -0.186 0.000 1.063 534 I CA -0.608 60.537 61.300 -0.258 0.000 1.062 534 I CB 2.051 39.957 38.000 -0.157 0.000 1.223 534 I HN 0.453 nan 8.210 nan 0.000 0.435 535 L N 5.621 126.698 121.223 -0.243 0.000 2.462 535 L HA 0.049 4.397 4.340 0.013 0.000 0.272 535 L C 1.446 178.369 176.870 0.089 0.000 1.166 535 L CA -0.112 54.655 54.840 -0.122 0.000 0.880 535 L CB 0.659 42.619 42.059 -0.166 0.000 1.142 535 L HN 0.854 nan 8.230 nan 0.000 0.473 536 C N 0.104 119.434 119.300 0.050 0.000 2.446 536 C HA 0.142 4.610 4.460 0.013 0.000 0.279 536 C C 0.656 175.759 174.990 0.188 0.000 1.366 536 C CA -0.191 58.899 59.018 0.120 0.000 1.763 536 C CB -1.065 26.663 27.740 -0.020 0.000 1.929 536 C HN 0.824 nan 8.230 nan 0.000 0.509 537 E N -0.841 119.393 120.200 0.056 0.000 2.321 537 E HA 0.650 5.008 4.350 0.013 0.000 0.278 537 E C -1.324 175.207 176.600 -0.115 0.000 0.902 537 E CA -0.434 55.991 56.400 0.042 0.000 0.758 537 E CB 2.118 31.666 29.700 -0.254 0.000 1.213 537 E HN 0.657 nan 8.360 nan 0.000 0.426 538 Y N -1.105 119.176 120.300 -0.032 0.000 2.677 538 Y HA 0.597 5.156 4.550 0.015 0.000 0.334 538 Y C -0.854 175.202 175.900 0.259 0.000 1.196 538 Y CA -0.883 57.222 58.100 0.008 0.000 1.059 538 Y CB 0.825 39.143 38.460 -0.236 0.000 1.315 538 Y HN 0.686 nan 8.280 nan 0.000 0.455 539 A N 2.116 124.994 122.820 0.096 0.000 2.303 539 A HA -0.266 4.062 4.320 0.013 0.000 0.286 539 A C -0.405 177.287 177.584 0.180 0.000 1.429 539 A CA 1.065 53.155 52.037 0.088 0.000 0.738 539 A CB -2.387 16.557 19.000 -0.093 0.000 1.149 539 A HN 1.093 nan 8.150 nan 0.000 0.364 540 H N 1.019 120.225 119.070 0.227 0.000 3.253 540 H HA 0.257 4.821 4.556 0.013 0.000 0.250 540 H C 1.273 176.649 175.328 0.080 0.000 1.051 540 H CA 0.784 56.967 56.048 0.225 0.000 1.458 540 H CB 0.311 30.120 29.762 0.078 0.000 1.549 540 H HN 0.784 nan 8.280 nan 0.000 0.506 541 A N 6.094 128.794 122.820 -0.201 0.000 2.281 541 A HA -0.014 4.314 4.320 0.013 0.000 0.231 541 A C 1.124 178.538 177.584 -0.282 0.000 1.317 541 A CA -0.243 51.654 52.037 -0.234 0.000 0.959 541 A CB -0.679 18.160 19.000 -0.269 0.000 0.900 541 A HN 0.790 nan 8.150 nan 0.000 0.497 542 M N 1.196 120.625 119.600 -0.286 0.000 2.220 542 M HA 0.416 4.904 4.480 0.013 0.000 0.343 542 M C 1.017 177.190 176.300 -0.211 0.000 1.470 542 M CA 1.203 56.365 55.300 -0.231 0.000 1.161 542 M CB -0.408 32.139 32.600 -0.089 0.000 1.737 542 M HN 0.751 nan 8.290 nan 0.000 0.464 543 G N 4.354 113.005 108.800 -0.249 0.000 2.547 543 G HA2 -0.342 3.626 3.960 0.013 0.000 0.271 543 G HA3 -0.342 3.626 3.960 0.013 0.000 0.271 543 G C -0.240 174.160 174.900 -0.834 0.000 1.209 543 G CA 0.045 44.806 45.100 -0.565 0.000 0.959 543 G HN 0.856 nan 8.290 nan 0.000 0.563 544 N N 1.199 119.240 118.700 -1.099 0.000 2.406 544 N HA 0.477 5.225 4.740 0.013 0.000 0.269 544 N C 0.061 175.355 175.510 -0.360 0.000 1.210 544 N CA 1.169 53.815 53.050 -0.673 0.000 0.966 544 N CB 0.392 38.554 38.487 -0.542 0.000 1.293 544 N HN 0.878 nan 8.380 nan 0.000 0.491 545 S N 2.275 117.841 115.700 -0.223 0.000 2.880 545 S HA 0.630 5.108 4.470 0.013 0.000 0.308 545 S C -0.159 174.388 174.600 -0.089 0.000 1.195 545 S CA -0.358 57.754 58.200 -0.147 0.000 0.866 545 S CB 0.124 63.250 63.200 -0.124 0.000 1.254 545 S HN 0.382 nan 8.310 nan 0.000 0.571 546 L N 0.012 121.216 121.223 -0.032 0.000 4.696 546 L HA -0.040 4.308 4.340 0.013 0.000 0.398 546 L C 0.500 177.427 176.870 0.096 0.000 0.971 546 L CA 0.832 55.680 54.840 0.014 0.000 1.427 546 L CB -1.688 40.289 42.059 -0.137 0.000 1.965 546 L HN 0.745 nan 8.230 nan 0.000 0.593 547 G N -0.753 108.070 108.800 0.038 0.000 2.343 547 G HA2 0.480 4.448 3.960 0.013 0.000 0.254 547 G HA3 0.480 4.448 3.960 0.013 0.000 0.254 547 G C 1.215 176.167 174.900 0.087 0.000 1.277 547 G CA 0.238 45.336 45.100 -0.004 0.000 0.909 547 G HN 1.338 nan 8.290 nan 0.000 0.502 548 G N 1.731 110.575 108.800 0.073 0.000 2.157 548 G HA2 -0.312 3.656 3.960 0.013 0.000 0.248 548 G HA3 -0.312 3.656 3.960 0.013 0.000 0.248 548 G C 0.960 176.029 174.900 0.281 0.000 0.979 548 G CA 0.713 45.903 45.100 0.150 0.000 0.650 548 G HN 0.791 nan 8.290 nan 0.000 0.529 549 F N 1.831 121.903 119.950 0.203 0.000 2.095 549 F HA 0.137 4.672 4.527 0.014 0.000 0.298 549 F C 2.657 178.667 175.800 0.350 0.000 1.104 549 F CA 2.567 60.759 58.000 0.321 0.000 1.232 549 F CB -0.465 38.664 39.000 0.214 0.000 0.987 549 F HN 0.343 nan 8.300 nan 0.000 0.475 550 A N -0.311 122.659 122.820 0.249 0.000 2.070 550 A HA -0.235 4.093 4.320 0.013 0.000 0.220 550 A C 2.280 179.874 177.584 0.015 0.000 1.159 550 A CA 1.695 53.812 52.037 0.133 0.000 0.656 550 A CB -0.835 18.256 19.000 0.153 0.000 0.800 550 A HN 0.470 nan 8.150 nan 0.000 0.453 551 K N -1.540 118.858 120.400 -0.005 0.000 2.097 551 K HA -0.178 4.150 4.320 0.013 0.000 0.206 551 K C 1.675 178.066 176.600 -0.348 0.000 1.049 551 K CA 1.662 57.867 56.287 -0.136 0.000 0.933 551 K CB -0.294 32.120 32.500 -0.143 0.000 0.717 551 K HN 0.617 nan 8.250 nan 0.000 0.442 552 Y N -0.872 119.162 120.300 -0.444 0.000 2.133 552 Y HA -0.248 4.309 4.550 0.012 0.000 0.287 552 Y C 2.052 177.004 175.900 -1.581 0.000 1.134 552 Y CA 1.501 59.006 58.100 -0.991 0.000 1.133 552 Y CB -0.348 37.571 38.460 -0.902 0.000 0.987 552 Y HN 0.166 nan 8.280 nan 0.000 0.502 553 W N 0.136 120.982 121.300 -0.758 0.000 2.338 553 W HA -0.240 4.430 4.660 0.015 0.000 0.304 553 W C 2.609 178.921 176.519 -0.345 0.000 1.212 553 W CA 1.563 58.573 57.345 -0.557 0.000 1.264 553 W CB -0.682 28.562 29.460 -0.360 0.000 1.142 553 W HN 0.075 nan 8.180 nan 0.000 0.512 554 Q N 0.500 120.187 119.800 -0.188 0.000 2.061 554 Q HA -0.192 4.156 4.340 0.013 0.000 0.204 554 Q C 2.274 178.200 176.000 -0.123 0.000 0.984 554 Q CA 2.199 57.939 55.803 -0.104 0.000 0.846 554 Q CB -0.762 27.935 28.738 -0.069 0.000 0.902 554 Q HN 0.290 nan 8.270 nan 0.000 0.421 555 A N -0.210 122.453 122.820 -0.262 0.000 1.898 555 A HA -0.113 4.215 4.320 0.013 0.000 0.216 555 A C 2.046 179.602 177.584 -0.047 0.000 1.181 555 A CA 1.028 52.953 52.037 -0.186 0.000 0.620 555 A CB -1.035 17.742 19.000 -0.371 0.000 0.819 555 A HN 0.461 nan 8.150 nan 0.000 0.442 556 F N -0.520 119.258 119.950 -0.287 0.000 2.161 556 F HA -0.223 4.312 4.527 0.013 0.000 0.300 556 F C 2.785 178.485 175.800 -0.167 0.000 1.089 556 F CA 1.182 58.979 58.000 -0.338 0.000 1.282 556 F CB -0.150 38.435 39.000 -0.692 0.000 1.010 556 F HN 0.159 nan 8.300 nan 0.000 0.485 557 R N -0.074 120.470 120.500 0.073 0.000 2.093 557 R HA -0.126 4.221 4.340 0.013 0.000 0.224 557 R C 2.177 178.510 176.300 0.055 0.000 1.101 557 R CA 0.925 57.058 56.100 0.054 0.000 0.979 557 R CB -0.317 30.009 30.300 0.044 0.000 0.877 557 R HN 0.351 nan 8.270 nan 0.000 0.441 558 Q N -0.405 119.456 119.800 0.100 0.000 2.137 558 Q HA -0.073 4.275 4.340 0.013 0.000 0.198 558 Q C -0.413 175.620 176.000 0.054 0.000 0.960 558 Q CA 0.987 56.847 55.803 0.096 0.000 0.847 558 Q CB 0.305 29.140 28.738 0.161 0.000 0.915 558 Q HN 0.164 nan 8.270 nan 0.000 0.448 559 Y N 0.544 120.828 120.300 -0.026 0.000 2.425 559 Y HA 0.207 4.764 4.550 0.012 0.000 0.347 559 Y C -1.723 174.155 175.900 -0.036 0.000 0.976 559 Y CA -2.700 55.385 58.100 -0.024 0.000 1.190 559 Y CB 1.219 39.671 38.460 -0.014 0.000 1.136 559 Y HN 0.177 nan 8.280 nan 0.000 0.517 560 P HA -0.153 nan 4.420 nan 0.000 0.215 560 P C 1.033 178.336 177.300 0.005 0.000 1.153 560 P CA 1.760 64.855 63.100 -0.008 0.000 0.853 560 P CB 0.315 31.992 31.700 -0.038 0.000 0.788 561 R N -1.145 119.379 120.500 0.040 0.000 2.307 561 R HA 0.109 4.457 4.340 0.013 0.000 0.199 561 R C 0.577 176.869 176.300 -0.013 0.000 1.000 561 R CA 0.116 56.224 56.100 0.014 0.000 1.023 561 R CB -0.442 29.874 30.300 0.026 0.000 0.908 561 R HN 0.233 nan 8.270 nan 0.000 0.473 562 L N 2.191 123.433 121.223 0.033 0.000 2.334 562 L HA 0.101 4.449 4.340 0.013 0.000 0.286 562 L C 0.474 177.220 176.870 -0.207 0.000 1.108 562 L CA 0.254 55.064 54.840 -0.049 0.000 0.875 562 L CB 0.889 42.998 42.059 0.083 0.000 1.246 562 L HN 0.129 nan 8.230 nan 0.000 0.439 563 Q N 2.665 122.260 119.800 -0.342 0.000 2.211 563 Q HA 0.304 4.652 4.340 0.013 0.000 0.231 563 Q C 0.830 176.411 176.000 -0.698 0.000 0.865 563 Q CA 0.075 55.632 55.803 -0.410 0.000 0.997 563 Q CB 0.989 29.577 28.738 -0.251 0.000 1.101 563 Q HN 0.934 nan 8.270 nan 0.000 0.468 564 G N -0.442 107.527 108.800 -1.385 0.000 2.416 564 G HA2 0.106 4.074 3.960 0.013 0.000 0.203 564 G HA3 0.106 4.074 3.960 0.013 0.000 0.203 564 G C -0.302 173.791 174.900 -1.346 0.000 1.227 564 G CA -0.761 43.199 45.100 -1.901 0.000 1.041 564 G HN 0.565 nan 8.290 nan 0.000 0.546 565 G N -2.280 106.020 108.800 -0.834 0.000 2.342 565 G HA2 0.660 4.628 3.960 0.013 0.000 0.297 565 G HA3 0.660 4.628 3.960 0.013 0.000 0.297 565 G C -1.887 173.017 174.900 0.006 0.000 1.313 565 G CA -0.287 44.550 45.100 -0.439 0.000 0.830 565 G HN 1.166 nan 8.290 nan 0.000 0.506 566 F N 0.594 120.797 119.950 0.422 0.000 2.460 566 F HA 0.522 5.056 4.527 0.012 0.000 0.341 566 F C 0.689 176.760 175.800 0.452 0.000 1.130 566 F CA -0.781 57.477 58.000 0.430 0.000 0.962 566 F CB 2.094 41.244 39.000 0.251 0.000 1.171 566 F HN 0.260 nan 8.300 nan 0.000 0.436 567 V N 3.203 123.408 119.914 0.484 0.000 2.872 567 V HA -0.129 3.999 4.120 0.013 0.000 0.307 567 V C -0.258 176.002 176.094 0.277 0.000 1.072 567 V CA -0.237 62.167 62.300 0.173 0.000 1.148 567 V CB 0.780 32.697 31.823 0.156 0.000 0.954 567 V HN 0.769 nan 8.190 nan 0.000 0.490 568 W N 6.400 127.760 121.300 0.099 0.000 2.296 568 W HA 0.460 5.127 4.660 0.012 0.000 0.316 568 W C -0.822 175.645 176.519 -0.087 0.000 1.022 568 W CA -0.608 56.806 57.345 0.115 0.000 1.324 568 W CB 1.334 31.021 29.460 0.378 0.000 1.227 568 W HN 0.928 nan 8.180 nan 0.000 0.409 569 D N 2.773 122.902 120.400 -0.453 0.000 2.921 569 D HA 0.077 4.725 4.640 0.013 0.000 0.329 569 D C 0.610 176.677 176.300 -0.388 0.000 1.293 569 D CA -0.515 53.107 54.000 -0.630 0.000 0.964 569 D CB 0.196 40.065 40.800 -1.552 0.000 1.435 569 D HN 0.405 nan 8.370 nan 0.000 0.548 570 W N 0.401 121.366 121.300 -0.558 0.000 2.381 570 W HA 0.149 4.817 4.660 0.013 0.000 0.321 570 W C -0.027 176.239 176.519 -0.421 0.000 1.196 570 W CA 1.208 58.280 57.345 -0.455 0.000 1.304 570 W CB 0.281 29.502 29.460 -0.399 0.000 1.166 570 W HN 0.142 nan 8.180 nan 0.000 0.473 571 V N 2.394 122.061 119.914 -0.412 0.000 2.735 571 V HA 0.239 4.366 4.120 0.013 0.000 0.310 571 V C -0.893 174.973 176.094 -0.379 0.000 1.061 571 V CA -0.800 61.213 62.300 -0.479 0.000 0.913 571 V CB 1.619 33.264 31.823 -0.296 0.000 1.005 571 V HN -0.094 nan 8.190 nan 0.000 0.428 572 D N 3.801 123.983 120.400 -0.362 0.000 2.455 572 D HA 0.137 4.785 4.640 0.013 0.000 0.241 572 D C 0.283 176.390 176.300 -0.320 0.000 1.138 572 D CA 0.512 54.344 54.000 -0.279 0.000 0.877 572 D CB 1.020 41.747 40.800 -0.121 0.000 1.187 572 D HN 0.585 nan 8.370 nan 0.000 0.451 573 Q N 1.092 120.621 119.800 -0.452 0.000 2.938 573 Q HA 0.117 4.465 4.340 0.013 0.000 0.343 573 Q C -0.045 175.915 176.000 -0.065 0.000 1.185 573 Q CA -0.290 55.026 55.803 -0.812 0.000 0.939 573 Q CB 0.018 28.417 28.738 -0.564 0.000 1.480 573 Q HN 0.353 nan 8.270 nan 0.000 0.442 574 S N -0.332 115.440 115.700 0.120 0.000 2.654 574 S HA 0.669 5.147 4.470 0.013 0.000 0.283 574 S C -0.149 174.639 174.600 0.314 0.000 1.180 574 S CA -0.796 57.599 58.200 0.324 0.000 1.021 574 S CB 1.473 64.839 63.200 0.276 0.000 1.018 574 S HN 0.298 nan 8.310 nan 0.000 0.532 575 L N 1.400 122.759 121.223 0.227 0.000 2.354 575 L HA 0.508 4.855 4.340 0.013 0.000 0.269 575 L C -0.560 176.237 176.870 -0.122 0.000 1.005 575 L CA -1.244 53.603 54.840 0.012 0.000 0.819 575 L CB 1.409 43.374 42.059 -0.156 0.000 1.311 575 L HN 0.541 nan 8.230 nan 0.000 0.423 576 I N 2.726 123.162 120.570 -0.225 0.000 2.471 576 I HA 0.194 4.372 4.170 0.013 0.000 0.286 576 I C 0.260 175.994 176.117 -0.637 0.000 1.079 576 I CA 0.163 61.191 61.300 -0.454 0.000 1.398 576 I CB 0.377 38.126 38.000 -0.419 0.000 1.403 576 I HN 0.559 nan 8.210 nan 0.000 0.530 577 K N 5.935 125.684 120.400 -1.085 0.000 2.400 577 K HA 0.557 4.885 4.320 0.013 0.000 0.246 577 K C -1.560 174.311 176.600 -1.215 0.000 0.995 577 K CA -0.807 54.784 56.287 -1.159 0.000 0.840 577 K CB 2.332 33.815 32.500 -1.695 0.000 1.293 577 K HN 0.212 nan 8.250 nan 0.000 0.445 578 Y N 0.985 121.057 120.300 -0.381 0.000 2.361 578 Y HA 0.096 4.654 4.550 0.013 0.000 0.337 578 Y C 0.111 176.118 175.900 0.178 0.000 0.965 578 Y CA -1.323 56.737 58.100 -0.067 0.000 1.091 578 Y CB 1.151 39.585 38.460 -0.044 0.000 1.182 578 Y HN 0.674 nan 8.280 nan 0.000 0.450 579 D N 1.070 121.751 120.400 0.467 0.000 2.352 579 D HA -0.048 4.600 4.640 0.013 0.000 0.238 579 D C 0.916 177.336 176.300 0.200 0.000 1.286 579 D CA -0.146 54.048 54.000 0.324 0.000 0.923 579 D CB 0.875 41.789 40.800 0.189 0.000 1.146 579 D HN 0.548 nan 8.370 nan 0.000 0.471 580 E N 0.996 121.270 120.200 0.123 0.000 2.070 580 E HA -0.273 4.085 4.350 0.013 0.000 0.197 580 E C 1.406 178.048 176.600 0.069 0.000 1.004 580 E CA 1.510 57.956 56.400 0.078 0.000 0.805 580 E CB -0.971 28.756 29.700 0.046 0.000 0.744 580 E HN 0.568 nan 8.360 nan 0.000 0.451 581 N N 0.275 119.020 118.700 0.075 0.000 2.573 581 N HA 0.023 4.771 4.740 0.013 0.000 0.187 581 N C 0.930 176.488 175.510 0.080 0.000 1.107 581 N CA 1.258 54.347 53.050 0.065 0.000 0.918 581 N CB 0.084 38.611 38.487 0.067 0.000 0.966 581 N HN 0.444 nan 8.380 nan 0.000 0.448 582 G N -0.389 108.484 108.800 0.121 0.000 2.137 582 G HA2 -0.267 3.701 3.960 0.013 0.000 0.237 582 G HA3 -0.267 3.701 3.960 0.013 0.000 0.237 582 G C -0.557 174.503 174.900 0.267 0.000 1.002 582 G CA -0.431 44.754 45.100 0.141 0.000 0.702 582 G HN 0.267 nan 8.290 nan 0.000 0.515 583 N N 1.819 120.672 118.700 0.255 0.000 2.419 583 N HA 0.454 5.201 4.740 0.013 0.000 0.264 583 N C -2.359 173.303 175.510 0.252 0.000 1.031 583 N CA -1.289 51.900 53.050 0.232 0.000 0.951 583 N CB 1.879 40.467 38.487 0.169 0.000 1.101 583 N HN 0.221 nan 8.380 nan 0.000 0.488 584 P HA 0.246 nan 4.420 nan 0.000 0.279 584 P C -0.493 176.752 177.300 -0.093 0.000 1.239 584 P CA -0.333 62.583 63.100 -0.306 0.000 0.789 584 P CB 0.688 32.175 31.700 -0.356 0.000 0.933 585 W N -0.110 120.960 121.300 -0.384 0.000 3.083 585 W HA 0.444 5.112 4.660 0.013 0.000 0.333 585 W C -1.362 174.996 176.519 -0.268 0.000 1.217 585 W CA -1.141 56.008 57.345 -0.327 0.000 1.170 585 W CB 0.304 29.405 29.460 -0.597 0.000 1.437 585 W HN 0.120 nan 8.180 nan 0.000 0.557 586 S N 1.578 117.355 115.700 0.128 0.000 2.481 586 S HA 0.535 5.013 4.470 0.013 0.000 0.276 586 S C 0.228 174.974 174.600 0.243 0.000 1.247 586 S CA -0.163 58.103 58.200 0.111 0.000 1.053 586 S CB 0.652 63.998 63.200 0.242 0.000 0.925 586 S HN 0.604 nan 8.310 nan 0.000 0.491 587 A N 3.016 125.815 122.820 -0.035 0.000 2.330 587 A HA 0.906 5.234 4.320 0.013 0.000 0.329 587 A C -0.691 177.146 177.584 0.422 0.000 1.135 587 A CA -0.738 51.316 52.037 0.028 0.000 0.817 587 A CB 0.737 19.379 19.000 -0.596 0.000 1.269 587 A HN 0.855 nan 8.150 nan 0.000 0.469 588 Y N -1.233 119.425 120.300 0.596 0.000 2.965 588 Y HA 0.747 5.305 4.550 0.013 0.000 0.310 588 Y C 0.591 176.910 175.900 0.698 0.000 1.480 588 Y CA -1.340 57.134 58.100 0.623 0.000 1.094 588 Y CB -0.007 38.620 38.460 0.279 0.000 1.377 588 Y HN 0.978 nan 8.280 nan 0.000 0.514 589 G N 0.180 109.422 108.800 0.737 0.000 2.178 589 G HA2 0.362 4.330 3.960 0.013 0.000 0.244 589 G HA3 0.362 4.330 3.960 0.013 0.000 0.244 589 G C 1.005 176.240 174.900 0.558 0.000 1.213 589 G CA 0.565 45.987 45.100 0.537 0.000 0.912 589 G HN 2.023 nan 8.290 nan 0.000 0.474 590 G N 2.515 111.605 108.800 0.483 0.000 2.267 590 G HA2 -0.303 3.665 3.960 0.013 0.000 0.257 590 G HA3 -0.303 3.665 3.960 0.013 0.000 0.257 590 G C 0.973 176.072 174.900 0.331 0.000 0.998 590 G CA 0.694 46.015 45.100 0.368 0.000 0.620 590 G HN 0.667 nan 8.290 nan 0.000 0.529 591 D N -0.240 120.364 120.400 0.340 0.000 2.403 591 D HA 0.115 4.763 4.640 0.013 0.000 0.227 591 D C 1.408 177.617 176.300 -0.151 0.000 0.995 591 D CA 0.587 54.622 54.000 0.059 0.000 0.928 591 D CB -0.229 40.505 40.800 -0.109 0.000 0.887 591 D HN 0.504 nan 8.370 nan 0.000 0.529 592 F N -1.417 118.665 119.950 0.220 0.000 2.706 592 F HA 0.296 4.831 4.527 0.013 0.000 0.313 592 F C 1.886 177.776 175.800 0.149 0.000 1.096 592 F CA 0.056 58.150 58.000 0.157 0.000 1.219 592 F CB 0.841 39.941 39.000 0.165 0.000 1.051 592 F HN -0.039 nan 8.300 nan 0.000 0.568 593 G N 0.386 109.349 108.800 0.271 0.000 2.175 593 G HA2 -0.240 3.727 3.960 0.013 0.000 0.244 593 G HA3 -0.240 3.727 3.960 0.013 0.000 0.244 593 G C -0.283 174.754 174.900 0.229 0.000 0.982 593 G CA 0.019 45.243 45.100 0.206 0.000 0.641 593 G HN 0.360 nan 8.290 nan 0.000 0.527 594 D N 0.453 121.036 120.400 0.305 0.000 2.389 594 D HA 0.545 5.193 4.640 0.013 0.000 0.247 594 D C 0.010 176.431 176.300 0.202 0.000 1.128 594 D CA 0.714 54.880 54.000 0.276 0.000 0.884 594 D CB 1.828 42.845 40.800 0.362 0.000 1.194 594 D HN 0.229 nan 8.370 nan 0.000 0.441 595 T N 0.961 115.603 114.554 0.146 0.000 3.087 595 T HA 0.371 4.729 4.350 0.013 0.000 0.351 595 T C -2.645 172.088 174.700 0.056 0.000 1.520 595 T CA -1.018 61.138 62.100 0.093 0.000 1.111 595 T CB 1.075 70.000 68.868 0.095 0.000 1.353 595 T HN 0.305 nan 8.240 nan 0.000 0.481 596 P HA 0.441 nan 4.420 nan 0.000 0.272 596 P C -0.798 176.490 177.300 -0.020 0.000 1.254 596 P CA -0.443 62.653 63.100 -0.006 0.000 0.795 596 P CB 0.394 32.064 31.700 -0.050 0.000 1.022 597 N N -1.542 117.131 118.700 -0.045 0.000 2.934 597 N HA 0.163 4.911 4.740 0.013 0.000 0.253 597 N C -1.373 174.037 175.510 -0.167 0.000 1.466 597 N CA -0.620 52.370 53.050 -0.101 0.000 0.858 597 N CB 1.394 39.926 38.487 0.075 0.000 1.459 597 N HN 0.229 nan 8.380 nan 0.000 0.532 598 D N 0.134 120.354 120.400 -0.300 0.000 2.772 598 D HA 0.131 4.778 4.640 0.013 0.000 0.272 598 D C 0.673 177.105 176.300 0.220 0.000 1.314 598 D CA -0.163 53.745 54.000 -0.154 0.000 0.835 598 D CB 0.912 41.499 40.800 -0.355 0.000 1.080 598 D HN 0.638 nan 8.370 nan 0.000 0.482 599 R N 0.720 121.383 120.500 0.272 0.000 3.869 599 R HA -0.319 4.029 4.340 0.013 0.000 0.424 599 R C 1.125 177.424 176.300 -0.001 0.000 0.241 599 R CA 1.426 57.684 56.100 0.262 0.000 1.351 599 R CB -1.651 28.694 30.300 0.075 0.000 0.979 599 R HN 0.155 nan 8.270 nan 0.000 0.572 600 Q N 1.425 120.930 119.800 -0.491 0.000 2.444 600 Q HA 0.002 4.349 4.340 0.013 0.000 0.206 600 Q C 1.712 177.524 176.000 -0.313 0.000 0.948 600 Q CA 1.249 56.608 55.803 -0.739 0.000 0.946 600 Q CB -0.049 28.140 28.738 -0.916 0.000 1.027 600 Q HN 0.584 nan 8.270 nan 0.000 0.513 601 F N 2.494 122.351 119.950 -0.155 0.000 2.346 601 F HA -0.227 4.308 4.527 0.013 0.000 0.301 601 F C 2.066 177.809 175.800 -0.095 0.000 1.070 601 F CA 1.482 59.483 58.000 0.002 0.000 1.407 601 F CB 0.015 39.074 39.000 0.098 0.000 1.072 601 F HN 0.430 nan 8.300 nan 0.000 0.543 602 C N -0.947 117.970 119.300 -0.639 0.000 2.562 602 C HA 0.237 4.705 4.460 0.013 0.000 0.266 602 C C 0.943 175.639 174.990 -0.489 0.000 1.382 602 C CA -0.564 57.907 59.018 -0.912 0.000 1.742 602 C CB -1.852 24.761 27.740 -1.879 0.000 1.812 602 C HN 0.227 nan 8.230 nan 0.000 0.559 603 M N 2.564 121.940 119.600 -0.374 0.000 2.055 603 M HA 0.322 4.810 4.480 0.013 0.000 0.346 603 M C -0.529 175.593 176.300 -0.297 0.000 1.074 603 M CA 0.311 55.447 55.300 -0.273 0.000 1.009 603 M CB 0.074 32.589 32.600 -0.142 0.000 1.423 603 M HN 0.288 nan 8.290 nan 0.000 0.410 604 N N 1.023 119.518 118.700 -0.342 0.000 2.307 604 N HA 0.217 4.964 4.740 0.013 0.000 0.248 604 N C 0.203 175.431 175.510 -0.469 0.000 1.322 604 N CA -0.564 52.240 53.050 -0.410 0.000 0.861 604 N CB 1.262 39.530 38.487 -0.365 0.000 1.303 604 N HN 0.714 nan 8.380 nan 0.000 0.498 605 G N -0.031 108.463 108.800 -0.510 0.000 2.451 605 G HA2 0.380 4.348 3.960 0.013 0.000 0.303 605 G HA3 0.380 4.348 3.960 0.013 0.000 0.303 605 G C 0.659 175.023 174.900 -0.894 0.000 1.166 605 G CA -0.556 44.150 45.100 -0.657 0.000 0.884 605 G HN 0.121 nan 8.290 nan 0.000 0.514 606 L N 0.050 120.779 121.223 -0.823 0.000 2.395 606 L HA 0.126 4.474 4.340 0.013 0.000 0.218 606 L C 0.872 177.127 176.870 -1.024 0.000 1.130 606 L CA 0.279 54.653 54.840 -0.777 0.000 0.826 606 L CB -0.316 41.453 42.059 -0.483 0.000 0.941 606 L HN 0.398 nan 8.230 nan 0.000 0.451 607 V N -5.182 114.009 119.914 -1.205 0.000 3.001 607 V HA 0.483 4.611 4.120 0.013 0.000 0.314 607 V C -0.309 175.368 176.094 -0.694 0.000 1.099 607 V CA -1.248 60.526 62.300 -0.875 0.000 0.989 607 V CB 1.652 33.009 31.823 -0.777 0.000 1.040 607 V HN -0.158 nan 8.190 nan 0.000 0.434 608 F N 1.362 121.252 119.950 -0.101 0.000 2.444 608 F HA 0.577 5.112 4.527 0.014 0.000 0.331 608 F C 1.843 177.587 175.800 -0.092 0.000 1.167 608 F CA 0.533 58.559 58.000 0.042 0.000 1.262 608 F CB 1.254 40.279 39.000 0.040 0.000 1.196 608 F HN 0.776 nan 8.300 nan 0.000 0.583 609 A N 0.897 123.800 122.820 0.138 0.000 2.076 609 A HA -0.207 4.121 4.320 0.013 0.000 0.220 609 A C 1.656 179.220 177.584 -0.034 0.000 1.160 609 A CA 1.812 53.877 52.037 0.046 0.000 0.653 609 A CB -0.881 18.180 19.000 0.101 0.000 0.801 609 A HN 0.790 nan 8.150 nan 0.000 0.455 610 D N -2.908 117.493 120.400 0.001 0.000 2.339 610 D HA 0.110 4.758 4.640 0.013 0.000 0.217 610 D C 0.635 176.918 176.300 -0.029 0.000 1.050 610 D CA -0.027 53.940 54.000 -0.056 0.000 0.856 610 D CB -0.074 40.694 40.800 -0.053 0.000 0.922 610 D HN 0.153 nan 8.370 nan 0.000 0.518 611 R N -1.675 118.816 120.500 -0.015 0.000 3.763 611 R HA -0.103 4.245 4.340 0.013 0.000 0.449 611 R C -0.457 175.850 176.300 0.012 0.000 1.030 611 R CA 0.981 57.065 56.100 -0.026 0.000 1.126 611 R CB -3.160 27.151 30.300 0.018 0.000 1.786 611 R HN 0.228 nan 8.270 nan 0.000 0.522 612 T N 2.162 116.767 114.554 0.085 0.000 2.897 612 T HA 0.444 4.802 4.350 0.013 0.000 0.294 612 T C -2.356 172.488 174.700 0.240 0.000 1.004 612 T CA -1.093 61.080 62.100 0.122 0.000 1.106 612 T CB 1.304 70.215 68.868 0.071 0.000 0.949 612 T HN -0.129 nan 8.240 nan 0.000 0.520 613 P HA 0.213 nan 4.420 nan 0.000 0.275 613 P C -0.098 177.364 177.300 0.269 0.000 1.228 613 P CA -0.316 62.848 63.100 0.107 0.000 0.786 613 P CB 0.465 32.192 31.700 0.044 0.000 0.927 614 H N 2.515 121.496 119.070 -0.148 0.000 2.509 614 H HA 0.124 4.688 4.556 0.013 0.000 0.359 614 H C -1.264 174.012 175.328 -0.086 0.000 1.253 614 H CA -1.869 54.074 56.048 -0.175 0.000 1.373 614 H CB 0.392 29.962 29.762 -0.320 0.000 1.555 614 H HN 0.319 nan 8.280 nan 0.000 0.586 615 P HA -0.107 nan 4.420 nan 0.000 0.217 615 P C 1.234 178.545 177.300 0.018 0.000 1.151 615 P CA 1.292 64.399 63.100 0.011 0.000 0.828 615 P CB -0.069 31.628 31.700 -0.005 0.000 0.788 616 A N -0.050 122.784 122.820 0.024 0.000 2.032 616 A HA -0.207 4.121 4.320 0.013 0.000 0.221 616 A C 2.116 179.652 177.584 -0.079 0.000 1.165 616 A CA 1.487 53.499 52.037 -0.042 0.000 0.645 616 A CB -1.706 17.248 19.000 -0.078 0.000 0.807 616 A HN 0.187 nan 8.150 nan 0.000 0.453 617 L N -0.315 120.883 121.223 -0.042 0.000 2.079 617 L HA -0.148 4.199 4.340 0.013 0.000 0.210 617 L C 2.349 179.255 176.870 0.060 0.000 1.081 617 L CA 2.751 57.592 54.840 0.002 0.000 0.752 617 L CB -0.795 41.262 42.059 -0.003 0.000 0.896 617 L HN 0.354 nan 8.230 nan 0.000 0.433 618 T N -1.323 113.275 114.554 0.072 0.000 2.951 618 T HA -0.129 4.229 4.350 0.013 0.000 0.268 618 T C 1.672 176.478 174.700 0.178 0.000 1.073 618 T CA 1.179 63.375 62.100 0.160 0.000 1.134 618 T CB -0.048 68.891 68.868 0.119 0.000 0.884 618 T HN 0.367 nan 8.240 nan 0.000 0.479 619 E N 1.674 121.916 120.200 0.070 0.000 2.072 619 E HA 0.019 4.377 4.350 0.013 0.000 0.191 619 E C 2.248 178.849 176.600 0.003 0.000 0.985 619 E CA 1.193 57.639 56.400 0.078 0.000 0.801 619 E CB -0.454 29.258 29.700 0.019 0.000 0.750 619 E HN 0.408 nan 8.360 nan 0.000 0.452 620 A N 1.055 123.745 122.820 -0.216 0.000 1.877 620 A HA -0.234 4.094 4.320 0.013 0.000 0.216 620 A C 2.175 179.649 177.584 -0.185 0.000 1.186 620 A CA 1.925 53.759 52.037 -0.338 0.000 0.620 620 A CB -0.649 18.145 19.000 -0.343 0.000 0.822 620 A HN 0.252 nan 8.150 nan 0.000 0.443 621 K N -1.351 119.018 120.400 -0.053 0.000 2.044 621 K HA -0.298 4.030 4.320 0.013 0.000 0.210 621 K C 2.072 178.607 176.600 -0.108 0.000 1.049 621 K CA 2.089 58.368 56.287 -0.014 0.000 0.927 621 K CB -0.321 32.312 32.500 0.222 0.000 0.713 621 K HN 0.677 nan 8.250 nan 0.000 0.443 622 H N 0.243 119.188 119.070 -0.208 0.000 2.357 622 H HA -0.018 4.546 4.556 0.014 0.000 0.301 622 H C 2.018 177.100 175.328 -0.409 0.000 1.082 622 H CA 1.620 57.364 56.048 -0.508 0.000 1.342 622 H CB 0.105 29.612 29.762 -0.424 0.000 1.389 622 H HN 0.203 nan 8.280 nan 0.000 0.511 623 Q N 0.385 119.972 119.800 -0.354 0.000 2.124 623 Q HA -0.105 4.243 4.340 0.013 0.000 0.202 623 Q C 1.524 177.006 176.000 -0.863 0.000 0.977 623 Q CA 1.349 56.871 55.803 -0.467 0.000 0.850 623 Q CB -0.048 28.633 28.738 -0.095 0.000 0.901 623 Q HN 0.709 nan 8.270 nan 0.000 0.429 624 Q N 0.246 119.481 119.800 -0.942 0.000 2.282 624 Q HA 0.079 4.426 4.340 0.013 0.000 0.205 624 Q C -0.058 175.433 176.000 -0.849 0.000 0.915 624 Q CA -0.206 54.898 55.803 -1.164 0.000 0.949 624 Q CB 0.265 28.376 28.738 -1.045 0.000 1.035 624 Q HN 0.365 nan 8.270 nan 0.000 0.484 625 Q N -0.592 118.831 119.800 -0.627 0.000 2.474 625 Q HA 0.002 4.350 4.340 0.013 0.000 0.256 625 Q C -0.031 175.591 176.000 -0.630 0.000 1.048 625 Q CA 0.289 55.832 55.803 -0.433 0.000 0.922 625 Q CB 0.479 29.041 28.738 -0.293 0.000 1.288 625 Q HN 0.303 nan 8.270 nan 0.000 0.484 626 F N -0.254 119.420 119.950 -0.460 0.000 2.776 626 F HA 0.193 4.728 4.527 0.013 0.000 0.300 626 F C -0.133 175.050 175.800 -1.028 0.000 1.116 626 F CA 0.036 57.488 58.000 -0.913 0.000 1.375 626 F CB 0.548 38.613 39.000 -1.559 0.000 1.109 626 F HN 0.279 nan 8.300 nan 0.000 0.585 627 F N 0.364 120.229 119.950 -0.141 0.000 2.529 627 F HA 0.479 5.014 4.527 0.014 0.000 0.320 627 F C -0.156 175.331 175.800 -0.523 0.000 1.118 627 F CA -1.238 56.576 58.000 -0.310 0.000 0.915 627 F CB 1.141 39.962 39.000 -0.299 0.000 1.161 627 F HN -0.327 nan 8.300 nan 0.000 0.445 628 Q N 2.906 122.476 119.800 -0.383 0.000 2.257 628 Q HA 0.642 4.990 4.340 0.013 0.000 0.262 628 Q C -1.295 174.398 176.000 -0.512 0.000 0.997 628 Q CA -0.637 54.978 55.803 -0.313 0.000 0.873 628 Q CB 2.751 31.421 28.738 -0.114 0.000 1.312 628 Q HN 0.589 nan 8.270 nan 0.000 0.450 629 F N 0.101 120.178 119.950 0.211 0.000 2.613 629 F HA 0.606 5.141 4.527 0.014 0.000 0.310 629 F C 0.122 176.136 175.800 0.357 0.000 1.085 629 F CA -1.019 57.165 58.000 0.307 0.000 0.945 629 F CB 1.706 41.022 39.000 0.527 0.000 1.298 629 F HN 0.120 nan 8.300 nan 0.000 0.455 630 R N 1.558 122.330 120.500 0.452 0.000 2.698 630 R HA 0.692 5.040 4.340 0.013 0.000 0.275 630 R C -1.952 174.360 176.300 0.020 0.000 1.001 630 R CA -1.052 55.219 56.100 0.285 0.000 0.896 630 R CB 2.577 32.969 30.300 0.152 0.000 1.218 630 R HN 0.671 nan 8.270 nan 0.000 0.462 631 L N 0.017 121.121 121.223 -0.198 0.000 2.362 631 L HA 0.727 5.075 4.340 0.013 0.000 0.271 631 L C -0.758 175.953 176.870 -0.265 0.000 1.002 631 L CA -0.019 54.534 54.840 -0.478 0.000 0.818 631 L CB 2.284 43.632 42.059 -1.186 0.000 1.298 631 L HN 0.591 nan 8.230 nan 0.000 0.420 632 S N 3.518 119.086 115.700 -0.220 0.000 2.387 632 S HA 0.666 5.144 4.470 0.013 0.000 0.211 632 S C -0.046 174.474 174.600 -0.133 0.000 1.055 632 S CA 0.378 58.494 58.200 -0.140 0.000 1.133 632 S CB -0.376 62.774 63.200 -0.083 0.000 1.235 632 S HN 1.974 nan 8.310 nan 0.000 0.425 633 G N 4.223 112.938 108.800 -0.142 0.000 2.596 633 G HA2 -0.303 3.665 3.960 0.013 0.000 0.258 633 G HA3 -0.303 3.665 3.960 0.013 0.000 0.258 633 G C 0.571 175.375 174.900 -0.160 0.000 1.207 633 G CA 0.424 45.449 45.100 -0.125 0.000 0.954 633 G HN 0.909 nan 8.290 nan 0.000 0.551 634 Q N 1.083 120.795 119.800 -0.147 0.000 2.403 634 Q HA 0.306 4.654 4.340 0.013 0.000 0.203 634 Q C 0.234 176.114 176.000 -0.201 0.000 0.932 634 Q CA 1.354 57.053 55.803 -0.174 0.000 0.945 634 Q CB 0.022 28.679 28.738 -0.135 0.000 1.045 634 Q HN 0.589 nan 8.270 nan 0.000 0.511 635 T N 0.885 115.327 114.554 -0.187 0.000 2.829 635 T HA 0.540 4.897 4.350 0.013 0.000 0.280 635 T C -0.471 174.105 174.700 -0.206 0.000 0.999 635 T CA -0.550 61.447 62.100 -0.173 0.000 0.983 635 T CB 1.537 70.337 68.868 -0.113 0.000 0.968 635 T HN 0.127 nan 8.240 nan 0.000 0.446 636 I N 2.267 122.735 120.570 -0.170 0.000 2.354 636 I HA 0.329 4.507 4.170 0.013 0.000 0.292 636 I C 0.378 176.503 176.117 0.012 0.000 0.989 636 I CA -0.562 60.667 61.300 -0.119 0.000 1.188 636 I CB 1.434 39.386 38.000 -0.080 0.000 1.342 636 I HN 0.591 nan 8.210 nan 0.000 0.457 637 E N 6.815 127.051 120.200 0.060 0.000 2.113 637 E HA 0.419 4.777 4.350 0.013 0.000 0.273 637 E C -1.468 175.210 176.600 0.129 0.000 0.924 637 E CA -0.603 55.841 56.400 0.074 0.000 0.764 637 E CB 1.434 31.160 29.700 0.044 0.000 1.104 637 E HN 0.364 nan 8.360 nan 0.000 0.406 638 V N 4.042 124.015 119.914 0.099 0.000 2.439 638 V HA 0.329 4.457 4.120 0.013 0.000 0.282 638 V C 0.124 176.204 176.094 -0.023 0.000 1.039 638 V CA -0.506 61.798 62.300 0.007 0.000 0.913 638 V CB 1.606 33.454 31.823 0.041 0.000 0.983 638 V HN 0.690 nan 8.190 nan 0.000 0.460 639 T N 3.143 117.646 114.554 -0.084 0.000 2.829 639 T HA 0.359 4.717 4.350 0.013 0.000 0.280 639 T C -0.095 174.621 174.700 0.026 0.000 0.999 639 T CA -0.309 61.780 62.100 -0.018 0.000 0.983 639 T CB 1.610 70.458 68.868 -0.033 0.000 0.968 639 T HN 0.708 nan 8.240 nan 0.000 0.446 640 S N 1.598 117.340 115.700 0.070 0.000 2.499 640 S HA 0.237 4.714 4.470 0.013 0.000 0.279 640 S C 0.721 175.263 174.600 -0.097 0.000 1.219 640 S CA -0.526 57.705 58.200 0.052 0.000 1.062 640 S CB 0.648 63.940 63.200 0.153 0.000 0.978 640 S HN 0.734 nan 8.310 nan 0.000 0.489 641 E N 2.906 122.948 120.200 -0.263 0.000 2.476 641 E HA 0.111 4.469 4.350 0.013 0.000 0.196 641 E C -0.745 175.731 176.600 -0.206 0.000 1.029 641 E CA -0.122 56.132 56.400 -0.244 0.000 0.896 641 E CB 0.330 29.827 29.700 -0.339 0.000 1.012 641 E HN 0.700 nan 8.360 nan 0.000 0.475 642 Y N 0.203 120.438 120.300 -0.109 0.000 2.326 642 Y HA 0.017 4.575 4.550 0.013 0.000 0.333 642 Y C 1.442 177.215 175.900 -0.212 0.000 1.240 642 Y CA -0.030 58.001 58.100 -0.115 0.000 1.365 642 Y CB 0.781 39.146 38.460 -0.160 0.000 1.289 642 Y HN -0.057 nan 8.280 nan 0.000 0.548 643 L N 0.541 121.637 121.223 -0.212 0.000 2.357 643 L HA 0.070 4.418 4.340 0.013 0.000 0.211 643 L C 0.619 177.042 176.870 -0.745 0.000 1.075 643 L CA 0.730 55.173 54.840 -0.661 0.000 0.830 643 L CB 0.009 41.301 42.059 -1.277 0.000 0.996 643 L HN 0.628 nan 8.230 nan 0.000 0.467 644 F N -0.626 119.346 119.950 0.037 0.000 2.784 644 F HA 0.216 4.750 4.527 0.012 0.000 0.316 644 F C 1.195 176.980 175.800 -0.024 0.000 1.026 644 F CA -0.839 57.154 58.000 -0.011 0.000 1.188 644 F CB 0.310 39.280 39.000 -0.050 0.000 0.999 644 F HN -0.154 nan 8.300 nan 0.000 0.605 645 R N 0.466 121.019 120.500 0.089 0.000 2.457 645 R HA 0.411 4.758 4.340 0.013 0.000 0.284 645 R C -0.892 175.397 176.300 -0.019 0.000 1.024 645 R CA -0.580 55.498 56.100 -0.037 0.000 1.025 645 R CB 0.755 30.917 30.300 -0.229 0.000 1.063 645 R HN 0.095 nan 8.270 nan 0.000 0.493 646 H N 0.711 119.760 119.070 -0.035 0.000 2.547 646 H HA 0.106 4.669 4.556 0.013 0.000 0.362 646 H C -0.049 175.293 175.328 0.022 0.000 1.181 646 H CA 0.158 56.219 56.048 0.021 0.000 1.376 646 H CB 1.210 30.992 29.762 0.034 0.000 1.488 646 H HN 0.772 nan 8.280 nan 0.000 0.583 647 S N 2.219 117.767 115.700 -0.253 0.000 4.175 647 S HA -0.045 4.433 4.470 0.013 0.000 0.193 647 S C 0.301 174.969 174.600 0.113 0.000 1.373 647 S CA -0.227 57.982 58.200 0.016 0.000 0.908 647 S CB -0.661 62.559 63.200 0.034 0.000 1.547 647 S HN 0.737 nan 8.310 nan 0.000 0.440 648 D N 1.025 121.509 120.400 0.139 0.000 2.323 648 D HA -0.006 4.642 4.640 0.013 0.000 0.239 648 D C 0.317 176.673 176.300 0.094 0.000 1.129 648 D CA -0.150 53.935 54.000 0.142 0.000 0.865 648 D CB -0.363 40.514 40.800 0.128 0.000 0.913 648 D HN 0.489 nan 8.370 nan 0.000 0.517 649 N N 0.054 118.813 118.700 0.097 0.000 2.609 649 N HA 0.099 4.847 4.740 0.013 0.000 0.251 649 N C -1.646 173.931 175.510 0.111 0.000 1.526 649 N CA -0.161 52.941 53.050 0.088 0.000 0.931 649 N CB 0.191 38.723 38.487 0.076 0.000 1.460 649 N HN -0.023 nan 8.380 nan 0.000 0.526 650 E N 0.056 120.318 120.200 0.103 0.000 2.304 650 E HA 0.491 4.849 4.350 0.013 0.000 0.277 650 E C -1.724 174.925 176.600 0.080 0.000 0.898 650 E CA -0.618 55.837 56.400 0.092 0.000 0.764 650 E CB 2.293 32.018 29.700 0.041 0.000 1.216 650 E HN 0.134 nan 8.360 nan 0.000 0.419 651 L N 3.096 124.389 121.223 0.117 0.000 2.381 651 L HA 0.608 4.956 4.340 0.013 0.000 0.268 651 L C -1.807 175.209 176.870 0.244 0.000 0.997 651 L CA -0.929 54.018 54.840 0.178 0.000 0.818 651 L CB 1.697 43.927 42.059 0.285 0.000 1.310 651 L HN 0.592 nan 8.230 nan 0.000 0.416 652 L N 4.404 125.763 121.223 0.227 0.000 2.280 652 L HA 0.523 4.870 4.340 0.013 0.000 0.287 652 L C -1.078 175.982 176.870 0.316 0.000 1.023 652 L CA -0.035 54.974 54.840 0.281 0.000 0.819 652 L CB 0.695 42.891 42.059 0.228 0.000 1.212 652 L HN 0.602 nan 8.230 nan 0.000 0.420 653 H N 4.684 123.834 119.070 0.132 0.000 2.458 653 H HA 0.621 5.185 4.556 0.013 0.000 0.330 653 H C -1.030 174.397 175.328 0.165 0.000 1.111 653 H CA -0.509 55.581 56.048 0.070 0.000 1.245 653 H CB 0.932 30.698 29.762 0.008 0.000 1.456 653 H HN 0.607 nan 8.280 nan 0.000 0.488 654 W N 2.956 124.333 121.300 0.129 0.000 3.138 654 W HA 0.616 5.284 4.660 0.013 0.000 0.331 654 W C -1.907 174.665 176.519 0.089 0.000 1.166 654 W CA -1.212 56.200 57.345 0.111 0.000 1.212 654 W CB 0.866 30.378 29.460 0.086 0.000 1.399 654 W HN 0.461 nan 8.180 nan 0.000 0.514 655 M N 3.349 123.128 119.600 0.298 0.000 2.393 655 M HA 0.546 5.034 4.480 0.013 0.000 0.299 655 M C -1.333 175.164 176.300 0.328 0.000 1.103 655 M CA -1.113 54.279 55.300 0.153 0.000 0.910 655 M CB 2.358 34.978 32.600 0.034 0.000 1.659 655 M HN 0.077 nan 8.290 nan 0.000 0.445 656 V N 2.239 122.341 119.914 0.313 0.000 2.384 656 V HA 0.884 5.012 4.120 0.013 0.000 0.287 656 V C -0.241 175.970 176.094 0.196 0.000 1.020 656 V CA -0.375 62.105 62.300 0.300 0.000 0.850 656 V CB 1.420 33.434 31.823 0.318 0.000 0.987 656 V HN 0.994 nan 8.190 nan 0.000 0.436 657 A N 4.776 127.724 122.820 0.213 0.000 2.413 657 A HA 0.904 5.232 4.320 0.013 0.000 0.307 657 A C -1.286 176.423 177.584 0.209 0.000 1.087 657 A CA -0.663 51.472 52.037 0.164 0.000 0.750 657 A CB 1.692 20.752 19.000 0.100 0.000 1.296 657 A HN 0.839 nan 8.150 nan 0.000 0.423 658 L N 1.587 122.898 121.223 0.146 0.000 2.277 658 L HA 0.428 4.776 4.340 0.013 0.000 0.284 658 L C -0.500 176.464 176.870 0.156 0.000 1.028 658 L CA 0.070 55.001 54.840 0.152 0.000 0.835 658 L CB 0.363 42.480 42.059 0.097 0.000 1.215 658 L HN 0.771 nan 8.230 nan 0.000 0.425 659 D N 4.764 125.322 120.400 0.263 0.000 2.706 659 D HA -0.244 4.404 4.640 0.013 0.000 0.230 659 D C 1.085 177.438 176.300 0.087 0.000 1.184 659 D CA 1.281 55.442 54.000 0.269 0.000 0.628 659 D CB -0.966 39.960 40.800 0.210 0.000 1.019 659 D HN 1.183 nan 8.370 nan 0.000 0.415 660 G N -0.459 108.357 108.800 0.027 0.000 2.175 660 G HA2 -0.337 3.631 3.960 0.013 0.000 0.244 660 G HA3 -0.337 3.631 3.960 0.013 0.000 0.244 660 G C 0.151 174.985 174.900 -0.110 0.000 0.982 660 G CA 0.375 45.379 45.100 -0.161 0.000 0.641 660 G HN 0.475 nan 8.290 nan 0.000 0.527 661 K N 1.820 122.206 120.400 -0.023 0.000 2.264 661 K HA 0.460 4.788 4.320 0.013 0.000 0.277 661 K C -2.665 173.935 176.600 0.000 0.000 1.067 661 K CA -1.956 54.320 56.287 -0.020 0.000 0.900 661 K CB 1.836 34.339 32.500 0.004 0.000 1.124 661 K HN 0.032 nan 8.250 nan 0.000 0.469 662 P HA -0.050 nan 4.420 nan 0.000 0.263 662 P C 0.021 177.326 177.300 0.008 0.000 1.195 662 P CA 0.077 63.169 63.100 -0.014 0.000 0.762 662 P CB 0.752 32.425 31.700 -0.046 0.000 0.799 663 L N 1.728 122.973 121.223 0.036 0.000 2.600 663 L HA 0.453 4.801 4.340 0.013 0.000 0.213 663 L C 0.750 177.651 176.870 0.052 0.000 1.045 663 L CA 0.653 55.523 54.840 0.050 0.000 0.863 663 L CB 0.273 42.382 42.059 0.084 0.000 1.189 663 L HN 0.395 nan 8.230 nan 0.000 0.484 664 A N -0.796 122.065 122.820 0.068 0.000 2.608 664 A HA 0.639 4.967 4.320 0.013 0.000 0.292 664 A C -0.776 176.734 177.584 -0.123 0.000 1.066 664 A CA 0.318 52.386 52.037 0.052 0.000 0.676 664 A CB 1.742 20.893 19.000 0.252 0.000 1.277 664 A HN 0.193 nan 8.150 nan 0.000 0.413 665 S N -0.812 114.552 115.700 -0.560 0.000 2.683 665 S HA 0.959 5.437 4.470 0.013 0.000 0.269 665 S C -0.163 173.443 174.600 -1.656 0.000 1.165 665 S CA 0.352 57.771 58.200 -1.302 0.000 0.840 665 S CB 0.689 63.526 63.200 -0.605 0.000 1.169 665 S HN 2.832 nan 8.310 nan 0.000 0.490 666 G N -0.175 107.625 108.800 -1.668 0.000 2.315 666 G HA2 0.524 4.492 3.960 0.013 0.000 0.294 666 G HA3 0.524 4.492 3.960 0.013 0.000 0.294 666 G C -2.467 171.998 174.900 -0.724 0.000 1.300 666 G CA -0.423 44.110 45.100 -0.945 0.000 0.843 666 G HN 1.062 nan 8.290 nan 0.000 0.527 667 E N -1.480 118.526 120.200 -0.323 0.000 2.340 667 E HA 0.731 5.089 4.350 0.013 0.000 0.273 667 E C -1.460 175.137 176.600 -0.004 0.000 0.891 667 E CA -1.069 55.176 56.400 -0.258 0.000 0.757 667 E CB 3.261 32.595 29.700 -0.610 0.000 1.231 667 E HN 0.477 nan 8.360 nan 0.000 0.439 668 V N 1.865 121.815 119.914 0.059 0.000 2.888 668 V HA 0.460 4.588 4.120 0.013 0.000 0.309 668 V C -2.447 173.693 176.094 0.076 0.000 1.114 668 V CA -1.961 60.393 62.300 0.090 0.000 0.940 668 V CB 2.556 34.463 31.823 0.140 0.000 1.021 668 V HN 0.645 nan 8.190 nan 0.000 0.426 669 P HA 0.333 nan 4.420 nan 0.000 0.274 669 P C -1.128 176.213 177.300 0.069 0.000 1.231 669 P CA -0.232 62.909 63.100 0.068 0.000 0.790 669 P CB 0.997 32.735 31.700 0.064 0.000 0.951 670 L N 2.566 123.824 121.223 0.057 0.000 2.305 670 L HA 0.328 4.676 4.340 0.013 0.000 0.284 670 L C -0.112 176.784 176.870 0.044 0.000 1.013 670 L CA -0.187 54.666 54.840 0.022 0.000 0.819 670 L CB 1.409 43.426 42.059 -0.070 0.000 1.227 670 L HN 0.341 nan 8.230 nan 0.000 0.417 671 D N 3.842 124.278 120.400 0.059 0.000 2.468 671 D HA 0.331 4.979 4.640 0.013 0.000 0.272 671 D C -1.203 175.117 176.300 0.033 0.000 1.221 671 D CA -0.163 53.931 54.000 0.155 0.000 0.860 671 D CB 0.931 41.867 40.800 0.227 0.000 1.190 671 D HN 0.069 nan 8.370 nan 0.000 0.509 672 V N 0.924 120.680 119.914 -0.263 0.000 2.495 672 V HA 0.887 5.014 4.120 0.013 0.000 0.298 672 V C 0.860 176.645 176.094 -0.515 0.000 1.031 672 V CA -1.307 60.872 62.300 -0.202 0.000 0.871 672 V CB 1.157 32.968 31.823 -0.019 0.000 0.988 672 V HN 0.507 nan 8.190 nan 0.000 0.432 673 A N 6.190 128.937 122.820 -0.123 0.000 2.332 673 A HA 0.689 5.017 4.320 0.013 0.000 0.258 673 A C -2.131 175.481 177.584 0.047 0.000 1.087 673 A CA -1.512 50.576 52.037 0.085 0.000 0.802 673 A CB -0.152 18.996 19.000 0.246 0.000 1.042 673 A HN 0.745 nan 8.150 nan 0.000 0.489 674 P HA -0.030 nan 4.420 nan 0.000 0.262 674 P C -0.565 176.745 177.300 0.017 0.000 1.182 674 P CA 0.710 63.839 63.100 0.048 0.000 0.761 674 P CB 0.646 32.352 31.700 0.011 0.000 0.795 675 Q N -0.936 118.863 119.800 -0.001 0.000 2.362 675 Q HA -0.167 4.181 4.340 0.013 0.000 0.220 675 Q C 0.802 176.805 176.000 0.006 0.000 0.713 675 Q CA 1.816 57.607 55.803 -0.018 0.000 1.345 675 Q CB -2.609 26.109 28.738 -0.033 0.000 1.570 675 Q HN 0.780 nan 8.270 nan 0.000 0.701 676 G N 0.187 109.005 108.800 0.029 0.000 2.543 676 G HA2 0.532 4.500 3.960 0.013 0.000 0.290 676 G HA3 0.532 4.500 3.960 0.013 0.000 0.290 676 G C -0.209 174.713 174.900 0.037 0.000 1.310 676 G CA -0.463 44.660 45.100 0.038 0.000 1.025 676 G HN -0.003 nan 8.290 nan 0.000 0.502 677 K N -0.894 119.529 120.400 0.038 0.000 2.443 677 K HA 0.483 4.811 4.320 0.013 0.000 0.251 677 K C -1.031 175.594 176.600 0.042 0.000 0.972 677 K CA -0.611 55.697 56.287 0.036 0.000 0.833 677 K CB 2.544 35.060 32.500 0.026 0.000 1.317 677 K HN 0.584 nan 8.250 nan 0.000 0.441 678 Q N 2.557 122.382 119.800 0.041 0.000 2.340 678 Q HA 0.387 4.735 4.340 0.013 0.000 0.276 678 Q C -1.763 174.261 176.000 0.040 0.000 1.048 678 Q CA -0.701 55.128 55.803 0.044 0.000 0.832 678 Q CB 1.513 30.279 28.738 0.047 0.000 1.373 678 Q HN 0.494 nan 8.270 nan 0.000 0.409 679 L N 5.270 126.510 121.223 0.029 0.000 2.294 679 L HA 0.520 4.868 4.340 0.013 0.000 0.283 679 L C -0.774 176.099 176.870 0.005 0.000 1.015 679 L CA -0.728 54.119 54.840 0.013 0.000 0.831 679 L CB 1.163 43.221 42.059 -0.001 0.000 1.217 679 L HN 0.639 nan 8.230 nan 0.000 0.420 680 I N 2.765 123.332 120.570 -0.005 0.000 2.339 680 I HA 0.198 4.376 4.170 0.013 0.000 0.290 680 I C 0.114 176.177 176.117 -0.090 0.000 0.994 680 I CA -0.446 60.838 61.300 -0.027 0.000 1.191 680 I CB 1.749 39.749 38.000 0.001 0.000 1.343 680 I HN 0.445 nan 8.210 nan 0.000 0.458 681 E N 6.374 126.519 120.200 -0.091 0.000 2.105 681 E HA 0.322 4.680 4.350 0.013 0.000 0.285 681 E C -0.773 175.713 176.600 -0.191 0.000 1.055 681 E CA -0.221 56.105 56.400 -0.124 0.000 0.843 681 E CB 0.587 30.240 29.700 -0.079 0.000 1.067 681 E HN 0.396 nan 8.360 nan 0.000 0.398 682 L N 6.263 127.309 121.223 -0.295 0.000 2.397 682 L HA 0.290 4.637 4.340 0.013 0.000 0.271 682 L C -1.888 174.816 176.870 -0.277 0.000 1.148 682 L CA -1.611 52.951 54.840 -0.462 0.000 0.825 682 L CB 0.804 42.486 42.059 -0.629 0.000 1.117 682 L HN 0.406 nan 8.230 nan 0.000 0.456 683 P HA 0.058 nan 4.420 nan 0.000 0.276 683 P C -0.283 176.987 177.300 -0.049 0.000 1.230 683 P CA -0.420 62.648 63.100 -0.053 0.000 0.776 683 P CB 0.542 32.298 31.700 0.093 0.000 0.888 684 E N 1.834 122.017 120.200 -0.029 0.000 2.975 684 E HA -0.126 4.232 4.350 0.013 0.000 0.269 684 E C -0.502 176.108 176.600 0.016 0.000 0.905 684 E CA 0.778 57.168 56.400 -0.018 0.000 0.967 684 E CB 0.127 29.825 29.700 -0.004 0.000 0.925 684 E HN 0.336 nan 8.360 nan 0.000 0.507 685 L N 7.145 128.374 121.223 0.011 0.000 2.599 685 L HA 0.264 4.612 4.340 0.013 0.000 0.241 685 L C -2.157 174.743 176.870 0.049 0.000 1.207 685 L CA -1.606 53.268 54.840 0.057 0.000 0.987 685 L CB 0.636 42.737 42.059 0.070 0.000 1.318 685 L HN 0.407 nan 8.230 nan 0.000 0.458 686 P HA -0.205 nan 4.420 nan 0.000 0.257 686 P C -0.922 176.396 177.300 0.031 0.000 1.092 686 P CA 0.769 63.890 63.100 0.035 0.000 0.756 686 P CB 0.140 31.864 31.700 0.040 0.000 0.669 687 Q N 4.840 124.652 119.800 0.020 0.000 2.303 687 Q HA 0.478 4.825 4.340 0.013 0.000 0.257 687 Q C -2.043 173.968 176.000 0.018 0.000 0.941 687 Q CA -1.868 53.945 55.803 0.017 0.000 0.931 687 Q CB 0.244 28.986 28.738 0.007 0.000 1.215 687 Q HN 0.356 nan 8.270 nan 0.000 0.437 688 P HA 0.021 nan 4.420 nan 0.000 0.271 688 P C -0.743 176.567 177.300 0.016 0.000 1.226 688 P CA -0.176 62.938 63.100 0.022 0.000 0.765 688 P CB 1.031 32.748 31.700 0.030 0.000 0.835 689 E N 0.547 120.755 120.200 0.014 0.000 2.502 689 E HA 0.004 4.362 4.350 0.013 0.000 0.194 689 E C 0.919 177.527 176.600 0.013 0.000 1.062 689 E CA -0.041 56.365 56.400 0.011 0.000 0.867 689 E CB -0.021 29.685 29.700 0.009 0.000 0.888 689 E HN 0.376 nan 8.360 nan 0.000 0.510 690 S N 0.820 116.530 115.700 0.018 0.000 2.573 690 S HA 0.329 4.807 4.470 0.013 0.000 0.277 690 S C 0.209 174.823 174.600 0.023 0.000 1.346 690 S CA -0.432 57.782 58.200 0.022 0.000 1.034 690 S CB 0.527 63.742 63.200 0.025 0.000 0.879 690 S HN 0.282 nan 8.310 nan 0.000 0.528 691 A N 2.822 125.658 122.820 0.027 0.000 2.371 691 A HA 0.742 5.070 4.320 0.013 0.000 0.257 691 A C 0.829 178.435 177.584 0.037 0.000 1.089 691 A CA 0.285 52.338 52.037 0.027 0.000 0.794 691 A CB -0.272 18.744 19.000 0.027 0.000 1.029 691 A HN 1.800 nan 8.150 nan 0.000 0.488 692 G N -0.168 108.651 108.800 0.033 0.000 2.369 692 G HA2 0.436 4.404 3.960 0.013 0.000 0.293 692 G HA3 0.436 4.404 3.960 0.013 0.000 0.293 692 G C -1.360 173.551 174.900 0.018 0.000 1.301 692 G CA -0.436 44.694 45.100 0.049 0.000 0.913 692 G HN 1.051 nan 8.290 nan 0.000 0.540 693 Q N -0.145 119.672 119.800 0.028 0.000 2.307 693 Q HA 0.736 5.084 4.340 0.013 0.000 0.262 693 Q C -0.433 175.549 176.000 -0.031 0.000 0.961 693 Q CA -0.552 55.200 55.803 -0.085 0.000 0.882 693 Q CB 1.336 29.968 28.738 -0.177 0.000 1.264 693 Q HN 0.583 nan 8.270 nan 0.000 0.446 694 L N 4.281 125.442 121.223 -0.103 0.000 2.326 694 L HA 0.488 4.836 4.340 0.013 0.000 0.278 694 L C -0.918 175.934 176.870 -0.031 0.000 1.092 694 L CA -0.329 54.517 54.840 0.010 0.000 0.810 694 L CB 0.697 42.756 42.059 0.000 0.000 1.153 694 L HN 0.708 nan 8.230 nan 0.000 0.439 695 W N 4.330 125.682 121.300 0.087 0.000 2.915 695 W HA 0.475 5.143 4.660 0.013 0.000 0.337 695 W C -0.915 175.703 176.519 0.166 0.000 1.102 695 W CA -0.553 56.863 57.345 0.118 0.000 1.224 695 W CB 1.681 31.222 29.460 0.135 0.000 1.416 695 W HN 0.100 nan 8.180 nan 0.000 0.503 696 L N 2.975 124.478 121.223 0.466 0.000 2.282 696 L HA 0.806 5.154 4.340 0.013 0.000 0.288 696 L C -0.397 176.764 176.870 0.484 0.000 1.033 696 L CA 0.228 55.330 54.840 0.436 0.000 0.807 696 L CB 1.310 43.598 42.059 0.382 0.000 1.209 696 L HN 0.333 nan 8.230 nan 0.000 0.423 697 T N 5.210 119.999 114.554 0.392 0.000 2.824 697 T HA 0.669 5.027 4.350 0.013 0.000 0.282 697 T C -0.689 174.197 174.700 0.310 0.000 0.993 697 T CA -0.400 61.883 62.100 0.306 0.000 0.967 697 T CB 1.522 70.511 68.868 0.201 0.000 0.960 697 T HN 0.638 nan 8.240 nan 0.000 0.441 698 V N 1.593 121.657 119.914 0.249 0.000 2.864 698 V HA 0.931 5.059 4.120 0.013 0.000 0.314 698 V C -0.760 175.428 176.094 0.156 0.000 1.073 698 V CA -1.308 61.121 62.300 0.216 0.000 0.956 698 V CB 1.995 33.917 31.823 0.164 0.000 1.023 698 V HN 0.999 nan 8.190 nan 0.000 0.435 699 R N 1.574 122.192 120.500 0.197 0.000 2.740 699 R HA 0.833 5.181 4.340 0.013 0.000 0.273 699 R C -2.028 174.405 176.300 0.222 0.000 0.998 699 R CA -0.824 55.408 56.100 0.220 0.000 0.900 699 R CB 2.074 32.478 30.300 0.174 0.000 1.223 699 R HN 0.520 nan 8.270 nan 0.000 0.466 700 V N 2.334 122.395 119.914 0.245 0.000 2.370 700 V HA 0.327 4.455 4.120 0.013 0.000 0.283 700 V C -0.155 176.017 176.094 0.130 0.000 1.023 700 V CA -0.685 61.733 62.300 0.197 0.000 0.857 700 V CB 1.535 33.478 31.823 0.201 0.000 0.985 700 V HN 0.523 nan 8.190 nan 0.000 0.443 701 V N 5.097 125.049 119.914 0.063 0.000 2.483 701 V HA 0.418 4.546 4.120 0.013 0.000 0.295 701 V C -0.140 175.999 176.094 0.075 0.000 1.035 701 V CA -0.739 61.551 62.300 -0.017 0.000 0.896 701 V CB 1.771 33.438 31.823 -0.260 0.000 0.986 701 V HN 0.884 nan 8.190 nan 0.000 0.447 702 Q N 5.591 125.444 119.800 0.089 0.000 2.398 702 Q HA 0.275 4.623 4.340 0.013 0.000 0.251 702 Q C -1.715 174.320 176.000 0.058 0.000 0.999 702 Q CA -1.819 54.047 55.803 0.105 0.000 0.874 702 Q CB 1.950 30.768 28.738 0.133 0.000 1.215 702 Q HN 0.494 nan 8.270 nan 0.000 0.470 703 P HA -0.170 nan 4.420 nan 0.000 0.217 703 P C -0.504 176.807 177.300 0.018 0.000 1.150 703 P CA 1.169 64.297 63.100 0.046 0.000 0.832 703 P CB 0.371 32.109 31.700 0.064 0.000 0.787 704 N N -0.605 118.098 118.700 0.005 0.000 2.456 704 N HA 0.451 5.199 4.740 0.013 0.000 0.296 704 N C -0.372 175.100 175.510 -0.064 0.000 1.102 704 N CA -0.675 52.362 53.050 -0.021 0.000 0.924 704 N CB 0.957 39.435 38.487 -0.016 0.000 1.186 704 N HN -0.038 nan 8.380 nan 0.000 0.492 705 A N 0.557 123.329 122.820 -0.079 0.000 2.425 705 A HA 0.475 4.803 4.320 0.013 0.000 0.242 705 A C 0.569 178.039 177.584 -0.189 0.000 1.077 705 A CA -0.037 51.918 52.037 -0.137 0.000 0.781 705 A CB -0.060 18.880 19.000 -0.100 0.000 1.020 705 A HN 0.711 nan 8.150 nan 0.000 0.494 706 T N -2.761 111.595 114.554 -0.331 0.000 2.773 706 T HA 0.623 4.981 4.350 0.013 0.000 0.278 706 T C 0.995 175.516 174.700 -0.298 0.000 1.011 706 T CA 0.047 61.923 62.100 -0.374 0.000 1.014 706 T CB 1.155 69.563 68.868 -0.766 0.000 1.293 706 T HN 1.367 nan 8.240 nan 0.000 0.554 707 A N 0.001 122.736 122.820 -0.141 0.000 2.070 707 A HA 0.084 4.412 4.320 0.013 0.000 0.220 707 A C 1.723 179.401 177.584 0.157 0.000 1.159 707 A CA 1.205 53.265 52.037 0.038 0.000 0.656 707 A CB -0.918 18.146 19.000 0.106 0.000 0.800 707 A HN 0.920 nan 8.150 nan 0.000 0.453 708 W N -0.701 120.661 121.300 0.103 0.000 3.008 708 W HA 0.418 5.087 4.660 0.014 0.000 0.355 708 W C -0.109 176.385 176.519 -0.041 0.000 1.095 708 W CA 0.524 57.907 57.345 0.062 0.000 1.738 708 W CB -1.023 28.472 29.460 0.058 0.000 1.091 708 W HN 0.462 nan 8.180 nan 0.000 0.574 709 S N -0.116 115.219 115.700 -0.609 0.000 2.588 709 S HA 0.363 4.841 4.470 0.013 0.000 0.269 709 S C -0.978 173.416 174.600 -0.344 0.000 1.157 709 S CA -0.829 57.056 58.200 -0.526 0.000 0.824 709 S CB 2.406 65.002 63.200 -1.006 0.000 1.126 709 S HN 0.120 nan 8.310 nan 0.000 0.464 710 E N 0.657 120.747 120.200 -0.182 0.000 2.374 710 E HA 0.542 4.900 4.350 0.013 0.000 0.260 710 E C 0.387 176.951 176.600 -0.060 0.000 1.101 710 E CA -0.594 55.754 56.400 -0.087 0.000 0.907 710 E CB 0.866 30.556 29.700 -0.016 0.000 1.014 710 E HN 0.862 nan 8.360 nan 0.000 0.427 711 A N 0.997 123.792 122.820 -0.043 0.000 2.531 711 A HA 0.351 4.679 4.320 0.013 0.000 0.236 711 A C 1.215 178.803 177.584 0.007 0.000 1.062 711 A CA 0.730 52.754 52.037 -0.021 0.000 0.760 711 A CB -0.498 18.493 19.000 -0.014 0.000 0.995 711 A HN 0.836 nan 8.150 nan 0.000 0.501 712 G N 0.561 109.371 108.800 0.017 0.000 2.179 712 G HA2 -0.264 3.704 3.960 0.013 0.000 0.260 712 G HA3 -0.264 3.704 3.960 0.013 0.000 0.260 712 G C 0.259 175.175 174.900 0.028 0.000 0.977 712 G CA 0.812 45.916 45.100 0.006 0.000 0.641 712 G HN 1.860 nan 8.290 nan 0.000 0.533 713 H N 0.376 119.432 119.070 -0.023 0.000 3.038 713 H HA 0.417 4.981 4.556 0.013 0.000 0.338 713 H C 0.644 176.013 175.328 0.068 0.000 1.041 713 H CA 0.488 56.546 56.048 0.018 0.000 1.394 713 H CB 0.211 29.972 29.762 -0.001 0.000 1.357 713 H HN 0.294 nan 8.280 nan 0.000 0.600 714 I N 4.321 124.599 120.570 -0.487 0.000 2.321 714 I HA 0.056 4.234 4.170 0.013 0.000 0.291 714 I C 0.820 176.734 176.117 -0.338 0.000 0.998 714 I CA -0.028 61.108 61.300 -0.274 0.000 1.227 714 I CB 1.569 39.489 38.000 -0.133 0.000 1.368 714 I HN 0.791 nan 8.210 nan 0.000 0.466 715 S N 4.326 120.049 115.700 0.039 0.000 2.511 715 S HA 0.597 5.075 4.470 0.013 0.000 0.214 715 S C 0.429 175.273 174.600 0.407 0.000 0.997 715 S CA 0.043 58.420 58.200 0.294 0.000 0.908 715 S CB 0.507 63.992 63.200 0.475 0.000 0.803 715 S HN 0.736 nan 8.310 nan 0.000 0.504 716 A N 0.320 123.420 122.820 0.467 0.000 2.567 716 A HA 0.617 4.944 4.320 0.013 0.000 0.291 716 A C -1.853 176.088 177.584 0.595 0.000 1.048 716 A CA -0.794 51.493 52.037 0.417 0.000 0.661 716 A CB 0.047 19.318 19.000 0.452 0.000 1.288 716 A HN 0.998 nan 8.150 nan 0.000 0.424 717 W N -0.395 121.059 121.300 0.256 0.000 3.005 717 W HA 0.810 5.478 4.660 0.014 0.000 0.343 717 W C -1.164 175.393 176.519 0.064 0.000 1.243 717 W CA -0.578 56.821 57.345 0.091 0.000 1.186 717 W CB 1.159 30.633 29.460 0.023 0.000 1.453 717 W HN 1.147 nan 8.180 nan 0.000 0.575 718 Q N 1.015 120.831 119.800 0.026 0.000 2.527 718 Q HA 0.437 4.785 4.340 0.013 0.000 0.280 718 Q C -1.691 174.080 176.000 -0.382 0.000 0.977 718 Q CA -0.439 55.202 55.803 -0.269 0.000 0.837 718 Q CB 2.353 30.718 28.738 -0.621 0.000 1.454 718 Q HN 0.616 nan 8.270 nan 0.000 0.387 719 Q N 1.416 120.935 119.800 -0.468 0.000 2.423 719 Q HA 0.643 4.991 4.340 0.013 0.000 0.278 719 Q C -1.152 174.610 176.000 -0.396 0.000 1.097 719 Q CA -0.748 54.924 55.803 -0.219 0.000 0.809 719 Q CB 2.393 31.214 28.738 0.139 0.000 1.391 719 Q HN 0.584 nan 8.270 nan 0.000 0.428 720 W N 0.788 122.261 121.300 0.289 0.000 3.033 720 W HA 0.458 5.125 4.660 0.012 0.000 0.336 720 W C -0.478 176.076 176.519 0.059 0.000 1.173 720 W CA -0.625 56.822 57.345 0.171 0.000 1.185 720 W CB 1.775 31.280 29.460 0.076 0.000 1.425 720 W HN 0.447 nan 8.180 nan 0.000 0.536 721 R N 1.815 122.305 120.500 -0.016 0.000 2.297 721 R HA 0.491 4.838 4.340 0.013 0.000 0.308 721 R C 0.576 176.756 176.300 -0.201 0.000 1.029 721 R CA -0.434 55.364 56.100 -0.503 0.000 0.929 721 R CB 1.420 31.235 30.300 -0.808 0.000 1.046 721 R HN 0.250 nan 8.270 nan 0.000 0.461 722 L N 1.426 122.538 121.223 -0.184 0.000 2.945 722 L HA 0.466 4.813 4.340 0.013 0.000 0.171 722 L C 0.912 177.695 176.870 -0.145 0.000 1.669 722 L CA -0.832 53.944 54.840 -0.108 0.000 1.963 722 L CB -0.122 41.908 42.059 -0.049 0.000 2.719 722 L HN 0.603 nan 8.230 nan 0.000 0.570 723 A N 0.163 122.923 122.820 -0.100 0.000 2.425 723 A HA 0.215 4.543 4.320 0.013 0.000 0.242 723 A C -0.253 177.266 177.584 -0.108 0.000 1.077 723 A CA 0.134 52.116 52.037 -0.091 0.000 0.781 723 A CB 0.206 19.172 19.000 -0.057 0.000 1.020 723 A HN 0.648 nan 8.150 nan 0.000 0.494 724 E N 0.684 120.827 120.200 -0.095 0.000 2.266 724 E HA 0.344 4.702 4.350 0.013 0.000 0.268 724 E C -1.464 175.108 176.600 -0.047 0.000 0.879 724 E CA -0.757 55.590 56.400 -0.087 0.000 0.762 724 E CB 1.001 30.636 29.700 -0.108 0.000 1.199 724 E HN 0.685 nan 8.360 nan 0.000 0.422 725 N N 5.213 123.898 118.700 -0.026 0.000 2.626 725 N HA 0.248 4.995 4.740 0.013 0.000 0.242 725 N C -0.488 175.023 175.510 0.001 0.000 1.005 725 N CA -0.356 52.689 53.050 -0.009 0.000 0.905 725 N CB 1.093 39.580 38.487 0.001 0.000 1.128 725 N HN 0.479 nan 8.380 nan 0.000 0.512 726 L N 0.911 122.134 121.223 0.000 0.000 2.525 726 L HA 0.016 4.364 4.340 0.013 0.000 0.278 726 L C 1.336 178.216 176.870 0.017 0.000 1.218 726 L CA 0.343 55.189 54.840 0.010 0.000 0.878 726 L CB 0.309 42.374 42.059 0.009 0.000 1.127 726 L HN 0.386 nan 8.230 nan 0.000 0.492 727 S N 2.037 117.753 115.700 0.026 0.000 2.523 727 S HA 0.280 4.758 4.470 0.013 0.000 0.275 727 S C 0.528 175.144 174.600 0.026 0.000 1.281 727 S CA -0.767 57.450 58.200 0.028 0.000 1.050 727 S CB 1.063 64.284 63.200 0.036 0.000 0.937 727 S HN 0.470 nan 8.310 nan 0.000 0.492 728 V N 2.153 122.080 119.914 0.022 0.000 3.380 728 V HA 0.358 4.486 4.120 0.013 0.000 0.307 728 V C 0.478 176.584 176.094 0.021 0.000 1.434 728 V CA 0.142 62.454 62.300 0.020 0.000 1.075 728 V CB -0.640 31.192 31.823 0.016 0.000 0.954 728 V HN 0.837 nan 8.190 nan 0.000 0.444 729 T N -0.064 114.504 114.554 0.023 0.000 2.928 729 T HA 0.772 5.130 4.350 0.013 0.000 0.284 729 T C -0.590 174.124 174.700 0.025 0.000 1.008 729 T CA -0.527 61.586 62.100 0.023 0.000 1.057 729 T CB 2.337 71.218 68.868 0.023 0.000 1.018 729 T HN 0.133 nan 8.240 nan 0.000 0.493 730 L N 2.695 123.932 121.223 0.022 0.000 2.325 730 L HA 0.525 4.873 4.340 0.013 0.000 0.279 730 L C -1.587 175.296 176.870 0.021 0.000 1.054 730 L CA -1.609 53.243 54.840 0.020 0.000 0.804 730 L CB 0.066 42.134 42.059 0.015 0.000 1.200 730 L HN 0.638 nan 8.230 nan 0.000 0.436 731 P HA 0.163 nan 4.420 nan 0.000 0.271 731 P C -0.656 176.652 177.300 0.013 0.000 1.233 731 P CA -0.602 62.510 63.100 0.021 0.000 0.789 731 P CB 0.457 32.168 31.700 0.019 0.000 0.951 732 A N 1.272 124.106 122.820 0.023 0.000 3.065 732 A HA 0.416 4.744 4.320 0.013 0.000 0.262 732 A C 0.819 178.375 177.584 -0.047 0.000 1.901 732 A CA 0.258 52.319 52.037 0.041 0.000 1.475 732 A CB -1.932 17.125 19.000 0.095 0.000 0.984 732 A HN 0.826 nan 8.150 nan 0.000 0.618 733 A N 0.861 123.620 122.820 -0.101 0.000 2.058 733 A HA -0.032 4.295 4.320 0.013 0.000 0.326 733 A C 0.731 177.941 177.584 -0.623 0.000 1.437 733 A CA 1.042 52.938 52.037 -0.237 0.000 1.586 733 A CB -0.910 18.019 19.000 -0.119 0.000 0.774 733 A HN 1.343 nan 8.150 nan 0.000 0.291 734 S N 3.047 118.521 115.700 -0.376 0.000 2.414 734 S HA 0.317 4.795 4.470 0.013 0.000 0.290 734 S C 0.850 175.232 174.600 -0.364 0.000 1.160 734 S CA 0.273 58.261 58.200 -0.352 0.000 1.069 734 S CB 0.098 63.218 63.200 -0.134 0.000 1.012 734 S HN 0.808 nan 8.310 nan 0.000 0.510 735 H N 1.699 120.782 119.070 0.022 0.000 2.436 735 H HA 0.327 4.891 4.556 0.013 0.000 0.294 735 H C 1.162 176.503 175.328 0.021 0.000 1.048 735 H CA 0.747 56.806 56.048 0.019 0.000 1.353 735 H CB 0.008 29.779 29.762 0.016 0.000 1.414 735 H HN 0.633 nan 8.280 nan 0.000 0.536 736 A N 1.428 124.309 122.820 0.101 0.000 2.242 736 A HA 0.619 4.947 4.320 0.013 0.000 0.304 736 A C -0.213 177.400 177.584 0.048 0.000 1.100 736 A CA -0.569 51.512 52.037 0.073 0.000 0.860 736 A CB 0.426 19.472 19.000 0.077 0.000 1.168 736 A HN 0.410 nan 8.150 nan 0.000 0.503 737 I N -0.239 120.369 120.570 0.062 0.000 2.586 737 I HA 0.499 4.677 4.170 0.013 0.000 0.288 737 I C -2.957 173.238 176.117 0.130 0.000 1.147 737 I CA -2.281 59.066 61.300 0.079 0.000 1.047 737 I CB 2.476 40.513 38.000 0.062 0.000 1.244 737 I HN 0.341 nan 8.210 nan 0.000 0.429 738 P HA 0.288 nan 4.420 nan 0.000 0.271 738 P C -1.364 176.084 177.300 0.248 0.000 1.216 738 P CA 0.216 63.403 63.100 0.144 0.000 0.776 738 P CB 0.342 32.077 31.700 0.058 0.000 0.881 739 H N 1.121 120.225 119.070 0.056 0.000 2.467 739 H HA 0.457 5.020 4.556 0.013 0.000 0.326 739 H C -0.391 174.968 175.328 0.051 0.000 1.094 739 H CA -0.661 55.412 56.048 0.041 0.000 1.253 739 H CB 0.751 30.538 29.762 0.042 0.000 1.439 739 H HN 0.232 nan 8.280 nan 0.000 0.479 740 L N 2.881 124.146 121.223 0.069 0.000 2.295 740 L HA 0.483 4.831 4.340 0.013 0.000 0.285 740 L C -0.454 176.449 176.870 0.054 0.000 1.035 740 L CA 0.070 54.936 54.840 0.043 0.000 0.806 740 L CB 1.327 43.355 42.059 -0.052 0.000 1.214 740 L HN 0.550 nan 8.230 nan 0.000 0.426 741 T N 3.815 118.436 114.554 0.112 0.000 2.840 741 T HA 0.533 4.891 4.350 0.013 0.000 0.287 741 T C -0.386 174.417 174.700 0.172 0.000 0.991 741 T CA -0.316 61.852 62.100 0.113 0.000 0.964 741 T CB 1.169 70.100 68.868 0.106 0.000 0.954 741 T HN 0.734 nan 8.240 nan 0.000 0.438 742 T N 2.579 117.230 114.554 0.162 0.000 2.945 742 T HA 0.799 5.157 4.350 0.013 0.000 0.286 742 T C -0.203 174.566 174.700 0.115 0.000 1.025 742 T CA -0.684 61.552 62.100 0.226 0.000 1.039 742 T CB 1.465 70.474 68.868 0.236 0.000 1.068 742 T HN 0.694 nan 8.240 nan 0.000 0.497 743 S N 0.119 115.856 115.700 0.061 0.000 2.596 743 S HA 0.363 4.840 4.470 0.013 0.000 0.270 743 S C 0.695 175.257 174.600 -0.063 0.000 1.155 743 S CA -0.734 57.469 58.200 0.004 0.000 0.827 743 S CB 1.644 64.850 63.200 0.011 0.000 1.130 743 S HN 0.777 nan 8.310 nan 0.000 0.467 744 E N 0.136 120.306 120.200 -0.049 0.000 2.077 744 E HA -0.141 4.216 4.350 0.013 0.000 0.193 744 E C 1.348 177.874 176.600 -0.124 0.000 0.989 744 E CA 1.235 57.588 56.400 -0.078 0.000 0.800 744 E CB -0.109 29.563 29.700 -0.046 0.000 0.746 744 E HN 0.624 nan 8.360 nan 0.000 0.452 745 M N 0.880 120.427 119.600 -0.088 0.000 2.288 745 M HA 0.021 4.509 4.480 0.013 0.000 0.266 745 M C -0.099 176.137 176.300 -0.107 0.000 1.072 745 M CA 1.018 56.271 55.300 -0.078 0.000 1.132 745 M CB -0.159 32.427 32.600 -0.024 0.000 1.386 745 M HN 0.059 nan 8.290 nan 0.000 0.432 746 D N -1.899 118.433 120.400 -0.113 0.000 2.596 746 D HA 0.338 4.986 4.640 0.013 0.000 0.262 746 D C -1.287 174.977 176.300 -0.060 0.000 1.210 746 D CA -0.451 53.497 54.000 -0.087 0.000 0.873 746 D CB 1.226 42.071 40.800 0.075 0.000 1.408 746 D HN -0.031 nan 8.370 nan 0.000 0.441 747 F N 0.455 120.483 119.950 0.130 0.000 2.426 747 F HA 0.402 4.937 4.527 0.013 0.000 0.348 747 F C 0.006 175.930 175.800 0.206 0.000 1.124 747 F CA -0.779 57.292 58.000 0.120 0.000 1.008 747 F CB 1.515 40.548 39.000 0.055 0.000 1.139 747 F HN 0.120 nan 8.300 nan 0.000 0.452 748 C N 4.617 124.126 119.300 0.348 0.000 2.417 748 C HA 0.719 5.187 4.460 0.013 0.000 0.324 748 C C -0.275 174.886 174.990 0.286 0.000 1.240 748 C CA -0.986 58.219 59.018 0.312 0.000 1.632 748 C CB 0.717 28.586 27.740 0.215 0.000 2.241 748 C HN 0.565 nan 8.230 nan 0.000 0.499 749 I N 2.485 123.275 120.570 0.367 0.000 2.406 749 I HA 0.438 4.616 4.170 0.013 0.000 0.290 749 I C 0.000 176.377 176.117 0.433 0.000 0.999 749 I CA 0.088 61.590 61.300 0.337 0.000 1.124 749 I CB 1.203 39.384 38.000 0.302 0.000 1.289 749 I HN 0.704 nan 8.210 nan 0.000 0.441 750 E N 6.678 127.068 120.200 0.317 0.000 2.222 750 E HA 0.670 5.028 4.350 0.013 0.000 0.267 750 E C -1.897 174.865 176.600 0.271 0.000 0.884 750 E CA -0.838 55.732 56.400 0.282 0.000 0.764 750 E CB 2.128 31.903 29.700 0.126 0.000 1.169 750 E HN 0.493 nan 8.360 nan 0.000 0.413 751 L N 4.667 126.080 121.223 0.317 0.000 2.476 751 L HA 0.504 4.851 4.340 0.013 0.000 0.269 751 L C 0.305 177.254 176.870 0.132 0.000 0.965 751 L CA 0.662 55.648 54.840 0.244 0.000 0.845 751 L CB 1.560 43.806 42.059 0.312 0.000 1.259 751 L HN 0.853 nan 8.230 nan 0.000 0.403 752 G N 4.250 113.083 108.800 0.054 0.000 2.652 752 G HA2 -0.436 3.531 3.960 0.013 0.000 0.318 752 G HA3 -0.436 3.531 3.960 0.013 0.000 0.318 752 G C 0.559 175.452 174.900 -0.012 0.000 1.295 752 G CA 0.687 45.798 45.100 0.017 0.000 0.999 752 G HN 1.210 nan 8.290 nan 0.000 0.548 753 N N 1.363 120.047 118.700 -0.026 0.000 2.314 753 N HA 0.095 4.842 4.740 0.013 0.000 0.200 753 N C 0.344 175.800 175.510 -0.089 0.000 1.135 753 N CA 0.736 53.753 53.050 -0.054 0.000 0.835 753 N CB 0.151 38.608 38.487 -0.050 0.000 0.989 753 N HN 0.742 nan 8.380 nan 0.000 0.478 754 K N 0.656 120.990 120.400 -0.109 0.000 2.123 754 K HA 0.480 4.808 4.320 0.013 0.000 0.259 754 K C -0.071 176.339 176.600 -0.316 0.000 0.960 754 K CA -0.657 55.451 56.287 -0.299 0.000 0.872 754 K CB 1.664 33.861 32.500 -0.505 0.000 1.079 754 K HN 0.092 nan 8.250 nan 0.000 0.440 755 R N 1.661 121.916 120.500 -0.407 0.000 2.771 755 R HA 0.460 4.808 4.340 0.013 0.000 0.274 755 R C -1.077 175.155 176.300 -0.114 0.000 0.987 755 R CA -0.968 55.092 56.100 -0.066 0.000 0.908 755 R CB 1.758 32.072 30.300 0.023 0.000 1.213 755 R HN 0.559 nan 8.270 nan 0.000 0.468 756 W N 1.468 122.908 121.300 0.234 0.000 2.915 756 W HA 0.334 5.002 4.660 0.013 0.000 0.337 756 W C -0.551 176.078 176.519 0.183 0.000 1.102 756 W CA -0.521 56.893 57.345 0.115 0.000 1.224 756 W CB 2.577 32.095 29.460 0.097 0.000 1.416 756 W HN 0.463 nan 8.180 nan 0.000 0.503 757 Q N 2.794 122.719 119.800 0.210 0.000 2.292 757 Q HA 0.412 4.759 4.340 0.013 0.000 0.270 757 Q C -2.022 173.959 176.000 -0.033 0.000 1.024 757 Q CA -0.459 55.478 55.803 0.225 0.000 0.768 757 Q CB 1.530 30.481 28.738 0.355 0.000 1.250 757 Q HN 0.351 nan 8.270 nan 0.000 0.447 758 F N 2.729 122.770 119.950 0.152 0.000 2.411 758 F HA 0.322 4.857 4.527 0.013 0.000 0.352 758 F C 0.674 176.502 175.800 0.047 0.000 1.123 758 F CA -0.887 57.164 58.000 0.085 0.000 1.044 758 F CB 1.186 40.225 39.000 0.065 0.000 1.135 758 F HN 0.473 nan 8.300 nan 0.000 0.461 759 N N 3.662 122.468 118.700 0.176 0.000 2.452 759 N HA 0.055 4.803 4.740 0.013 0.000 0.266 759 N C 0.935 176.454 175.510 0.015 0.000 1.175 759 N CA 0.089 53.190 53.050 0.085 0.000 0.945 759 N CB 0.664 39.211 38.487 0.100 0.000 1.063 759 N HN 0.697 nan 8.380 nan 0.000 0.472 760 R N 2.384 122.823 120.500 -0.102 0.000 2.236 760 R HA -0.102 4.246 4.340 0.013 0.000 0.208 760 R C 1.629 177.853 176.300 -0.127 0.000 1.036 760 R CA 0.779 56.756 56.100 -0.205 0.000 1.001 760 R CB 0.196 30.270 30.300 -0.376 0.000 0.896 760 R HN 0.676 nan 8.270 nan 0.000 0.464 761 Q N 0.253 120.015 119.800 -0.063 0.000 2.134 761 Q HA -0.077 4.270 4.340 0.013 0.000 0.195 761 Q C 2.039 178.030 176.000 -0.015 0.000 0.958 761 Q CA 1.647 57.428 55.803 -0.037 0.000 0.840 761 Q CB 0.232 28.968 28.738 -0.004 0.000 0.918 761 Q HN 0.254 nan 8.270 nan 0.000 0.467 762 S N -1.575 114.143 115.700 0.031 0.000 2.425 762 S HA 0.154 4.632 4.470 0.013 0.000 0.225 762 S C 1.511 176.076 174.600 -0.059 0.000 1.024 762 S CA 0.801 59.051 58.200 0.083 0.000 0.951 762 S CB 0.168 63.505 63.200 0.228 0.000 0.796 762 S HN 0.717 nan 8.310 nan 0.000 0.498 763 G N 0.176 108.931 108.800 -0.074 0.000 2.157 763 G HA2 -0.195 3.773 3.960 0.013 0.000 0.248 763 G HA3 -0.195 3.773 3.960 0.013 0.000 0.248 763 G C -0.084 174.756 174.900 -0.099 0.000 0.979 763 G CA 0.257 45.273 45.100 -0.140 0.000 0.650 763 G HN 0.542 nan 8.290 nan 0.000 0.529 764 F N -0.963 119.165 119.950 0.296 0.000 2.556 764 F HA 0.686 5.221 4.527 0.013 0.000 0.327 764 F C 0.511 176.357 175.800 0.077 0.000 1.059 764 F CA -1.473 56.670 58.000 0.239 0.000 0.953 764 F CB 1.356 40.458 39.000 0.170 0.000 1.227 764 F HN 0.002 nan 8.300 nan 0.000 0.478 765 L N 2.123 123.390 121.223 0.074 0.000 2.638 765 L HA 0.100 4.448 4.340 0.013 0.000 0.273 765 L C 1.002 177.762 176.870 -0.182 0.000 1.147 765 L CA 0.591 55.119 54.840 -0.520 0.000 0.941 765 L CB 0.156 41.904 42.059 -0.519 0.000 1.251 765 L HN 0.727 nan 8.230 nan 0.000 0.479 766 S N 2.707 118.307 115.700 -0.167 0.000 2.512 766 S HA 0.291 4.769 4.470 0.013 0.000 0.216 766 S C 0.469 174.953 174.600 -0.193 0.000 1.006 766 S CA -0.082 58.065 58.200 -0.088 0.000 0.915 766 S CB 0.167 63.373 63.200 0.010 0.000 0.824 766 S HN 0.696 nan 8.310 nan 0.000 0.497 767 Q N 0.024 119.646 119.800 -0.297 0.000 2.472 767 Q HA 0.676 5.024 4.340 0.013 0.000 0.281 767 Q C -1.931 173.668 176.000 -0.668 0.000 0.997 767 Q CA -0.293 55.180 55.803 -0.550 0.000 0.828 767 Q CB 1.779 30.101 28.738 -0.693 0.000 1.443 767 Q HN 0.452 nan 8.270 nan 0.000 0.390 768 M N 1.680 120.740 119.600 -0.901 0.000 2.470 768 M HA 0.567 5.054 4.480 0.013 0.000 0.285 768 M C -1.574 174.253 176.300 -0.788 0.000 1.213 768 M CA -0.436 54.452 55.300 -0.687 0.000 0.901 768 M CB 2.189 34.450 32.600 -0.565 0.000 1.718 768 M HN 0.534 nan 8.290 nan 0.000 0.469 769 W N 2.776 123.877 121.300 -0.332 0.000 2.844 769 W HA 0.659 5.327 4.660 0.013 0.000 0.340 769 W C -1.357 174.984 176.519 -0.296 0.000 1.093 769 W CA -0.699 56.498 57.345 -0.247 0.000 1.212 769 W CB 1.708 31.057 29.460 -0.186 0.000 1.422 769 W HN 0.445 nan 8.180 nan 0.000 0.515 770 I N 1.503 122.080 120.570 0.011 0.000 2.433 770 I HA 0.501 4.678 4.170 0.013 0.000 0.292 770 I C 0.893 177.005 176.117 -0.009 0.000 1.001 770 I CA 0.538 61.797 61.300 -0.068 0.000 1.119 770 I CB 1.476 39.409 38.000 -0.113 0.000 1.289 770 I HN 0.729 nan 8.210 nan 0.000 0.438 771 G N 5.136 113.918 108.800 -0.031 0.000 2.622 771 G HA2 -0.356 3.612 3.960 0.013 0.000 0.307 771 G HA3 -0.356 3.612 3.960 0.013 0.000 0.307 771 G C 0.303 175.213 174.900 0.017 0.000 1.226 771 G CA 0.804 45.892 45.100 -0.019 0.000 0.997 771 G HN 0.774 nan 8.290 nan 0.000 0.551 772 D N 0.028 120.452 120.400 0.041 0.000 2.433 772 D HA 0.247 4.895 4.640 0.013 0.000 0.211 772 D C 0.843 177.272 176.300 0.216 0.000 1.114 772 D CA 0.116 54.168 54.000 0.087 0.000 0.837 772 D CB 0.328 41.140 40.800 0.021 0.000 0.984 772 D HN 0.371 nan 8.370 nan 0.000 0.505 773 K N 1.760 122.242 120.400 0.138 0.000 2.276 773 K HA 0.187 4.515 4.320 0.013 0.000 0.285 773 K C -0.149 176.461 176.600 0.017 0.000 1.062 773 K CA -0.312 56.019 56.287 0.073 0.000 0.918 773 K CB 0.792 33.294 32.500 0.004 0.000 1.055 773 K HN -0.022 nan 8.250 nan 0.000 0.477 774 K N 2.848 123.213 120.400 -0.059 0.000 2.401 774 K HA -0.005 4.323 4.320 0.013 0.000 0.278 774 K C 1.186 177.624 176.600 -0.269 0.000 1.018 774 K CA -0.023 56.047 56.287 -0.362 0.000 0.981 774 K CB 0.736 33.041 32.500 -0.325 0.000 0.933 774 K HN 0.419 nan 8.250 nan 0.000 0.477 775 Q N 1.593 121.185 119.800 -0.346 0.000 2.339 775 Q HA 0.122 4.470 4.340 0.013 0.000 0.205 775 Q C 0.187 176.125 176.000 -0.103 0.000 0.925 775 Q CA 0.755 56.475 55.803 -0.139 0.000 0.898 775 Q CB 0.300 28.995 28.738 -0.072 0.000 1.013 775 Q HN 0.486 nan 8.270 nan 0.000 0.504 776 L N 0.851 121.942 121.223 -0.220 0.000 2.329 776 L HA 0.381 4.728 4.340 0.013 0.000 0.279 776 L C 0.883 177.630 176.870 -0.205 0.000 1.014 776 L CA -0.366 54.358 54.840 -0.192 0.000 0.814 776 L CB 1.519 43.456 42.059 -0.203 0.000 1.257 776 L HN -0.073 nan 8.230 nan 0.000 0.424 777 L N 0.455 121.549 121.223 -0.215 0.000 2.609 777 L HA 0.264 4.612 4.340 0.013 0.000 0.230 777 L C 0.279 177.041 176.870 -0.180 0.000 1.087 777 L CA 0.574 55.298 54.840 -0.194 0.000 0.874 777 L CB 0.600 42.537 42.059 -0.203 0.000 1.114 777 L HN 0.598 nan 8.230 nan 0.000 0.488 778 T N 0.435 114.853 114.554 -0.227 0.000 2.971 778 T HA 0.389 4.747 4.350 0.013 0.000 0.304 778 T C -2.585 172.035 174.700 -0.132 0.000 1.038 778 T CA -1.067 60.933 62.100 -0.165 0.000 1.007 778 T CB 2.571 71.273 68.868 -0.276 0.000 1.055 778 T HN -0.267 nan 8.240 nan 0.000 0.451 779 P HA 0.197 nan 4.420 nan 0.000 0.270 779 P C -0.623 176.642 177.300 -0.059 0.000 1.223 779 P CA -0.718 62.352 63.100 -0.050 0.000 0.785 779 P CB 0.465 32.175 31.700 0.016 0.000 0.923 780 L N 3.006 124.230 121.223 0.002 0.000 2.342 780 L HA 0.218 4.566 4.340 0.013 0.000 0.285 780 L C 0.141 176.968 176.870 -0.071 0.000 1.095 780 L CA 0.571 55.443 54.840 0.053 0.000 0.843 780 L CB -0.673 41.523 42.059 0.230 0.000 1.201 780 L HN 0.271 nan 8.230 nan 0.000 0.445 781 R N 2.689 123.033 120.500 -0.261 0.000 2.854 781 R HA 0.495 4.843 4.340 0.013 0.000 0.271 781 R C -0.793 175.373 176.300 -0.224 0.000 0.996 781 R CA -1.002 54.743 56.100 -0.593 0.000 0.961 781 R CB 1.118 30.932 30.300 -0.810 0.000 1.182 781 R HN 0.524 nan 8.270 nan 0.000 0.479 782 D N 0.999 121.366 120.400 -0.055 0.000 2.378 782 D HA 0.039 4.687 4.640 0.013 0.000 0.238 782 D C -0.426 175.646 176.300 -0.380 0.000 1.180 782 D CA 0.372 54.271 54.000 -0.168 0.000 0.895 782 D CB 0.606 41.349 40.800 -0.094 0.000 1.192 782 D HN 0.231 nan 8.370 nan 0.000 0.438 783 Q N 0.790 120.134 119.800 -0.759 0.000 2.271 783 Q HA 0.309 4.657 4.340 0.013 0.000 0.268 783 Q C -1.338 173.967 176.000 -1.160 0.000 1.021 783 Q CA -0.546 54.847 55.803 -0.683 0.000 0.802 783 Q CB 0.803 29.302 28.738 -0.398 0.000 1.282 783 Q HN 0.542 nan 8.270 nan 0.000 0.431 784 F N 0.667 120.263 119.950 -0.591 0.000 2.706 784 F HA 0.189 4.724 4.527 0.013 0.000 0.313 784 F C 0.681 176.078 175.800 -0.672 0.000 1.096 784 F CA -0.001 57.543 58.000 -0.759 0.000 1.219 784 F CB 1.601 39.886 39.000 -1.192 0.000 1.051 784 F HN 0.465 nan 8.300 nan 0.000 0.568 785 T N -0.959 113.331 114.554 -0.440 0.000 2.907 785 T HA 0.761 5.119 4.350 0.013 0.000 0.290 785 T C -0.548 173.968 174.700 -0.308 0.000 1.066 785 T CA -0.987 60.811 62.100 -0.504 0.000 1.012 785 T CB 2.707 71.271 68.868 -0.507 0.000 1.184 785 T HN 0.216 nan 8.240 nan 0.000 0.522 786 R N 0.002 120.382 120.500 -0.200 0.000 2.837 786 R HA 0.789 5.137 4.340 0.013 0.000 0.271 786 R C -0.765 175.612 176.300 0.129 0.000 0.993 786 R CA -1.244 54.834 56.100 -0.036 0.000 0.931 786 R CB 1.575 31.843 30.300 -0.053 0.000 1.206 786 R HN 0.811 nan 8.270 nan 0.000 0.474 787 A N 3.256 126.105 122.820 0.048 0.000 2.444 787 A HA 0.306 4.634 4.320 0.013 0.000 0.273 787 A C -2.019 175.613 177.584 0.080 0.000 1.136 787 A CA -1.500 50.545 52.037 0.013 0.000 0.799 787 A CB -0.413 18.541 19.000 -0.077 0.000 1.081 787 A HN 0.568 nan 8.150 nan 0.000 0.509 788 P HA 0.056 nan 4.420 nan 0.000 0.262 788 P C -0.456 176.964 177.300 0.200 0.000 1.182 788 P CA 0.542 63.794 63.100 0.252 0.000 0.761 788 P CB 0.259 32.134 31.700 0.291 0.000 0.795 789 L N 2.721 124.046 121.223 0.169 0.000 2.418 789 L HA 0.188 4.536 4.340 0.013 0.000 0.265 789 L C 1.809 178.759 176.870 0.133 0.000 1.143 789 L CA -0.538 54.357 54.840 0.092 0.000 0.809 789 L CB 0.050 42.094 42.059 -0.025 0.000 1.124 789 L HN 0.293 nan 8.230 nan 0.000 0.456 790 D N 0.855 121.319 120.400 0.106 0.000 2.191 790 D HA -0.196 4.452 4.640 0.013 0.000 0.195 790 D C 1.555 177.873 176.300 0.029 0.000 1.003 790 D CA 1.574 55.581 54.000 0.010 0.000 0.867 790 D CB 0.061 40.817 40.800 -0.074 0.000 0.926 790 D HN 0.521 nan 8.370 nan 0.000 0.450 791 N N 0.896 119.609 118.700 0.021 0.000 2.244 791 N HA -0.108 4.639 4.740 0.013 0.000 0.183 791 N C 1.204 176.759 175.510 0.075 0.000 1.016 791 N CA 0.698 53.767 53.050 0.031 0.000 0.866 791 N CB -0.216 38.271 38.487 -0.000 0.000 0.980 791 N HN 0.259 nan 8.380 nan 0.000 0.430 792 D N 0.348 120.812 120.400 0.107 0.000 2.219 792 D HA 0.010 4.657 4.640 0.013 0.000 0.205 792 D C 1.936 178.305 176.300 0.115 0.000 0.970 792 D CA 0.442 54.537 54.000 0.158 0.000 0.851 792 D CB 0.157 41.125 40.800 0.279 0.000 0.943 792 D HN 0.333 nan 8.370 nan 0.000 0.488 793 I N 0.096 120.723 120.570 0.095 0.000 2.494 793 I HA 0.055 4.233 4.170 0.013 0.000 0.250 793 I C 1.786 177.916 176.117 0.021 0.000 1.112 793 I CA 0.580 61.914 61.300 0.057 0.000 1.438 793 I CB -0.251 37.776 38.000 0.045 0.000 1.111 793 I HN 0.046 nan 8.210 nan 0.000 0.431 794 G N 1.328 110.150 108.800 0.036 0.000 2.596 794 G HA2 -0.355 3.613 3.960 0.013 0.000 0.295 794 G HA3 -0.355 3.613 3.960 0.013 0.000 0.295 794 G C 0.661 175.571 174.900 0.018 0.000 1.240 794 G CA 0.711 45.843 45.100 0.052 0.000 0.985 794 G HN 0.592 nan 8.290 nan 0.000 0.555 795 V N -1.858 118.050 119.914 -0.010 0.000 3.499 795 V HA 0.625 4.752 4.120 0.013 0.000 0.308 795 V C 1.123 177.172 176.094 -0.074 0.000 1.319 795 V CA 1.183 63.434 62.300 -0.082 0.000 1.194 795 V CB 0.061 31.801 31.823 -0.139 0.000 1.072 795 V HN 1.206 nan 8.190 nan 0.000 0.426 796 S N 1.516 117.188 115.700 -0.047 0.000 2.488 796 S HA 0.296 4.774 4.470 0.013 0.000 0.278 796 S C -0.020 174.558 174.600 -0.037 0.000 1.259 796 S CA -0.092 58.084 58.200 -0.040 0.000 1.061 796 S CB 0.094 63.279 63.200 -0.024 0.000 0.910 796 S HN 0.809 nan 8.310 nan 0.000 0.491 797 E N 2.318 122.496 120.200 -0.037 0.000 2.256 797 E HA 0.484 4.842 4.350 0.013 0.000 0.267 797 E C 0.556 177.150 176.600 -0.010 0.000 0.892 797 E CA -0.644 55.740 56.400 -0.026 0.000 0.775 797 E CB 1.545 31.221 29.700 -0.040 0.000 1.207 797 E HN 0.664 nan 8.360 nan 0.000 0.420 798 A N 1.751 124.574 122.820 0.006 0.000 2.131 798 A HA -0.192 4.136 4.320 0.013 0.000 0.220 798 A C 1.929 179.517 177.584 0.007 0.000 1.158 798 A CA 2.395 54.440 52.037 0.013 0.000 0.665 798 A CB -0.559 18.456 19.000 0.025 0.000 0.795 798 A HN 0.674 nan 8.150 nan 0.000 0.460 799 T N -3.552 111.001 114.554 -0.001 0.000 3.044 799 T HA 0.076 4.434 4.350 0.013 0.000 0.237 799 T C 1.353 176.042 174.700 -0.019 0.000 1.001 799 T CA 0.180 62.276 62.100 -0.007 0.000 1.160 799 T CB -0.102 68.762 68.868 -0.007 0.000 0.889 799 T HN 0.139 nan 8.240 nan 0.000 0.442 800 R N 2.130 122.612 120.500 -0.030 0.000 4.263 800 R HA 0.336 4.684 4.340 0.013 0.000 0.248 800 R C -0.057 176.217 176.300 -0.044 0.000 1.796 800 R CA -0.662 55.411 56.100 -0.045 0.000 1.518 800 R CB -1.423 28.838 30.300 -0.066 0.000 1.342 800 R HN 0.536 nan 8.270 nan 0.000 0.706 801 I N 1.876 122.428 120.570 -0.031 0.000 2.943 801 I HA -0.205 3.973 4.170 0.013 0.000 0.296 801 I C 0.544 176.636 176.117 -0.042 0.000 1.220 801 I CA 0.727 62.010 61.300 -0.029 0.000 1.409 801 I CB -0.248 37.741 38.000 -0.018 0.000 1.374 801 I HN 0.106 nan 8.210 nan 0.000 0.545 802 D N 10.700 131.071 120.400 -0.048 0.000 2.467 802 D HA 0.255 4.903 4.640 0.013 0.000 0.220 802 D C -1.324 174.929 176.300 -0.078 0.000 1.103 802 D CA -2.174 51.789 54.000 -0.062 0.000 0.886 802 D CB 1.317 42.079 40.800 -0.063 0.000 1.025 802 D HN 0.226 nan 8.370 nan 0.000 0.514 803 P HA -0.180 nan 4.420 nan 0.000 0.218 803 P C 0.940 178.151 177.300 -0.149 0.000 1.146 803 P CA 0.939 63.981 63.100 -0.097 0.000 0.813 803 P CB 0.242 31.892 31.700 -0.084 0.000 0.778 804 N N -0.355 118.250 118.700 -0.159 0.000 2.446 804 N HA 0.009 4.757 4.740 0.013 0.000 0.179 804 N C 0.531 175.849 175.510 -0.320 0.000 1.054 804 N CA -0.091 52.820 53.050 -0.231 0.000 0.905 804 N CB -0.001 38.374 38.487 -0.186 0.000 0.973 804 N HN -0.019 nan 8.380 nan 0.000 0.448 805 A N 0.380 123.056 122.820 -0.240 0.000 2.466 805 A HA -0.006 4.322 4.320 0.013 0.000 0.238 805 A C 0.660 178.025 177.584 -0.365 0.000 1.074 805 A CA -0.299 51.590 52.037 -0.247 0.000 0.774 805 A CB -0.163 18.769 19.000 -0.113 0.000 1.015 805 A HN 0.469 nan 8.150 nan 0.000 0.498 806 W N 1.302 122.343 121.300 -0.431 0.000 2.317 806 W HA -0.176 4.491 4.660 0.013 0.000 0.318 806 W C 2.261 178.220 176.519 -0.934 0.000 1.227 806 W CA 1.649 58.454 57.345 -0.901 0.000 1.269 806 W CB -0.436 28.357 29.460 -1.111 0.000 1.155 806 W HN 0.545 nan 8.180 nan 0.000 0.484 807 V N 0.837 120.664 119.914 -0.144 0.000 2.324 807 V HA -0.301 3.827 4.120 0.013 0.000 0.250 807 V C 2.219 178.405 176.094 0.153 0.000 1.060 807 V CA 2.227 64.645 62.300 0.196 0.000 1.042 807 V CB -0.389 31.578 31.823 0.241 0.000 0.650 807 V HN 0.079 nan 8.190 nan 0.000 0.450 808 E N -0.128 120.073 120.200 0.002 0.000 2.072 808 E HA -0.154 4.204 4.350 0.013 0.000 0.191 808 E C 2.351 178.920 176.600 -0.052 0.000 0.985 808 E CA 1.169 57.562 56.400 -0.011 0.000 0.801 808 E CB -0.337 29.326 29.700 -0.063 0.000 0.750 808 E HN 0.614 nan 8.360 nan 0.000 0.452 809 R N -0.328 120.067 120.500 -0.175 0.000 2.066 809 R HA -0.113 4.234 4.340 0.013 0.000 0.232 809 R C 2.339 178.555 176.300 -0.140 0.000 1.131 809 R CA 1.368 57.334 56.100 -0.222 0.000 0.955 809 R CB -0.247 29.813 30.300 -0.401 0.000 0.851 809 R HN 0.238 nan 8.270 nan 0.000 0.432 810 W N 1.655 122.901 121.300 -0.088 0.000 2.335 810 W HA -0.114 4.554 4.660 0.013 0.000 0.311 810 W C 1.953 178.362 176.519 -0.184 0.000 1.213 810 W CA 0.790 57.955 57.345 -0.300 0.000 1.274 810 W CB -0.793 28.601 29.460 -0.111 0.000 1.148 810 W HN 0.126 nan 8.180 nan 0.000 0.498 811 K N 0.265 120.830 120.400 0.275 0.000 1.991 811 K HA -0.148 4.180 4.320 0.013 0.000 0.212 811 K C 2.272 178.904 176.600 0.052 0.000 1.049 811 K CA 2.048 58.477 56.287 0.237 0.000 0.932 811 K CB -0.874 31.759 32.500 0.222 0.000 0.717 811 K HN -0.005 nan 8.250 nan 0.000 0.441 812 A N 1.352 124.185 122.820 0.021 0.000 1.986 812 A HA -0.191 4.137 4.320 0.013 0.000 0.220 812 A C 2.248 179.792 177.584 -0.067 0.000 1.171 812 A CA 2.061 54.092 52.037 -0.010 0.000 0.640 812 A CB -0.684 18.306 19.000 -0.018 0.000 0.811 812 A HN 0.408 nan 8.150 nan 0.000 0.451 813 A N -2.249 120.486 122.820 -0.142 0.000 2.169 813 A HA 0.406 4.734 4.320 0.013 0.000 0.212 813 A C 1.866 179.236 177.584 -0.355 0.000 1.153 813 A CA 1.227 53.166 52.037 -0.164 0.000 0.756 813 A CB -0.770 18.085 19.000 -0.241 0.000 0.813 813 A HN 1.942 nan 8.150 nan 0.000 0.471 814 G N -1.443 107.077 108.800 -0.467 0.000 2.141 814 G HA2 -0.298 3.670 3.960 0.013 0.000 0.242 814 G HA3 -0.298 3.670 3.960 0.013 0.000 0.242 814 G C 0.547 175.394 174.900 -0.088 0.000 0.982 814 G CA 0.660 45.318 45.100 -0.736 0.000 0.662 814 G HN 0.757 nan 8.290 nan 0.000 0.527 815 H N -1.462 117.535 119.070 -0.122 0.000 2.387 815 H HA -0.063 4.501 4.556 0.013 0.000 0.299 815 H C 2.223 177.494 175.328 -0.095 0.000 1.090 815 H CA 1.483 57.479 56.048 -0.087 0.000 1.332 815 H CB 0.052 29.714 29.762 -0.167 0.000 1.386 815 H HN 0.603 nan 8.280 nan 0.000 0.516 816 Y N 0.505 120.918 120.300 0.189 0.000 2.439 816 Y HA -0.102 4.456 4.550 0.013 0.000 0.292 816 Y C 1.615 177.598 175.900 0.138 0.000 1.130 816 Y CA 0.603 58.785 58.100 0.137 0.000 1.254 816 Y CB 0.385 38.911 38.460 0.111 0.000 1.000 816 Y HN 0.144 nan 8.280 nan 0.000 0.554 817 Q N -0.310 119.646 119.800 0.261 0.000 2.179 817 Q HA 0.340 4.688 4.340 0.013 0.000 0.213 817 Q C 0.181 176.350 176.000 0.282 0.000 0.833 817 Q CA -0.246 55.708 55.803 0.251 0.000 0.990 817 Q CB 0.912 29.795 28.738 0.242 0.000 1.132 817 Q HN 0.256 nan 8.270 nan 0.000 0.493 818 A N 1.056 124.057 122.820 0.301 0.000 2.462 818 A HA 0.183 4.510 4.320 0.013 0.000 0.243 818 A C -0.034 177.797 177.584 0.410 0.000 1.076 818 A CA 0.092 52.353 52.037 0.372 0.000 0.773 818 A CB 0.386 19.627 19.000 0.403 0.000 1.010 818 A HN 0.110 nan 8.150 nan 0.000 0.493 819 E N 0.784 121.173 120.200 0.316 0.000 2.158 819 E HA 0.460 4.818 4.350 0.013 0.000 0.271 819 E C -0.533 176.095 176.600 0.047 0.000 0.911 819 E CA -0.454 56.073 56.400 0.213 0.000 0.767 819 E CB 1.963 31.750 29.700 0.146 0.000 1.120 819 E HN 0.719 nan 8.360 nan 0.000 0.405 820 A N 2.521 125.287 122.820 -0.090 0.000 2.347 820 A HA 0.510 4.837 4.320 0.013 0.000 0.287 820 A C 0.053 177.516 177.584 -0.202 0.000 1.199 820 A CA -0.250 51.463 52.037 -0.539 0.000 0.851 820 A CB 0.184 18.910 19.000 -0.456 0.000 1.118 820 A HN 0.547 nan 8.150 nan 0.000 0.525 821 A N 3.053 125.732 122.820 -0.235 0.000 2.274 821 A HA 0.570 4.898 4.320 0.013 0.000 0.309 821 A C -0.222 177.280 177.584 -0.138 0.000 1.226 821 A CA -0.529 51.440 52.037 -0.114 0.000 0.853 821 A CB 0.287 19.239 19.000 -0.081 0.000 1.146 821 A HN 1.117 nan 8.150 nan 0.000 0.518 822 L N 3.151 124.293 121.223 -0.134 0.000 2.367 822 L HA 0.310 4.657 4.340 0.013 0.000 0.275 822 L C 0.507 177.246 176.870 -0.218 0.000 1.129 822 L CA 0.356 55.027 54.840 -0.281 0.000 0.839 822 L CB 0.339 42.237 42.059 -0.268 0.000 1.133 822 L HN 0.754 nan 8.230 nan 0.000 0.453 823 L N 3.262 124.336 121.223 -0.248 0.000 2.642 823 L HA 0.355 4.703 4.340 0.013 0.000 0.233 823 L C 0.318 177.115 176.870 -0.121 0.000 1.077 823 L CA -0.027 54.730 54.840 -0.138 0.000 0.879 823 L CB 0.079 42.086 42.059 -0.088 0.000 1.151 823 L HN 0.714 nan 8.230 nan 0.000 0.495 824 Q N -0.068 119.630 119.800 -0.170 0.000 2.468 824 Q HA 0.286 4.633 4.340 0.013 0.000 0.263 824 Q C -2.110 173.815 176.000 -0.125 0.000 0.979 824 Q CA -0.456 55.283 55.803 -0.106 0.000 0.932 824 Q CB 2.990 31.695 28.738 -0.055 0.000 1.462 824 Q HN 0.069 nan 8.270 nan 0.000 0.403 825 C N 3.670 122.941 119.300 -0.048 0.000 3.027 825 C HA 0.720 5.188 4.460 0.013 0.000 0.350 825 C C -0.305 174.801 174.990 0.194 0.000 1.042 825 C CA 0.494 59.526 59.018 0.023 0.000 1.350 825 C CB 0.281 27.997 27.740 -0.040 0.000 1.809 825 C HN 0.849 nan 8.230 nan 0.000 0.513 826 T N 2.121 116.769 114.554 0.157 0.000 2.841 826 T HA 0.943 5.301 4.350 0.013 0.000 0.276 826 T C -0.366 174.192 174.700 -0.236 0.000 1.003 826 T CA -0.211 61.953 62.100 0.106 0.000 0.995 826 T CB 1.985 70.856 68.868 0.006 0.000 1.260 826 T HN 1.888 nan 8.240 nan 0.000 0.581 827 A N 0.781 123.294 122.820 -0.512 0.000 2.491 827 A HA 0.643 4.971 4.320 0.013 0.000 0.293 827 A C -1.653 175.685 177.584 -0.411 0.000 1.047 827 A CA -0.799 50.792 52.037 -0.744 0.000 0.735 827 A CB 1.215 19.243 19.000 -1.621 0.000 1.281 827 A HN 0.821 nan 8.150 nan 0.000 0.398 828 D N 1.316 121.542 120.400 -0.290 0.000 2.671 828 D HA 0.552 5.199 4.640 0.013 0.000 0.232 828 D C -0.788 175.414 176.300 -0.163 0.000 1.114 828 D CA -0.041 53.847 54.000 -0.186 0.000 0.858 828 D CB 2.428 43.152 40.800 -0.127 0.000 1.544 828 D HN 0.418 nan 8.370 nan 0.000 0.471 829 T N 1.804 116.282 114.554 -0.127 0.000 2.795 829 T HA 0.439 4.796 4.350 0.013 0.000 0.282 829 T C 0.410 175.064 174.700 -0.077 0.000 0.980 829 T CA -0.593 61.445 62.100 -0.103 0.000 1.012 829 T CB 1.138 69.948 68.868 -0.096 0.000 0.936 829 T HN 0.087 nan 8.240 nan 0.000 0.457 830 L N 1.405 122.588 121.223 -0.067 0.000 2.299 830 L HA 0.554 4.902 4.340 0.013 0.000 0.268 830 L C 1.873 178.720 176.870 -0.038 0.000 1.012 830 L CA -0.908 53.901 54.840 -0.050 0.000 0.816 830 L CB 0.754 42.784 42.059 -0.048 0.000 1.355 830 L HN 0.756 nan 8.230 nan 0.000 0.457 831 A N 0.506 123.309 122.820 -0.029 0.000 1.908 831 A HA -0.183 4.145 4.320 0.013 0.000 0.218 831 A C 1.070 178.645 177.584 -0.015 0.000 1.181 831 A CA 2.170 54.195 52.037 -0.020 0.000 0.627 831 A CB -0.430 18.561 19.000 -0.016 0.000 0.818 831 A HN 0.868 nan 8.150 nan 0.000 0.445 832 D N -2.602 117.785 120.400 -0.020 0.000 2.527 832 D HA 0.528 5.176 4.640 0.013 0.000 0.224 832 D C 0.102 176.387 176.300 -0.025 0.000 1.217 832 D CA 0.644 54.633 54.000 -0.019 0.000 0.819 832 D CB -0.187 40.598 40.800 -0.026 0.000 1.061 832 D HN 0.439 nan 8.370 nan 0.000 0.515 833 A N -0.256 122.543 122.820 -0.035 0.000 2.569 833 A HA 0.686 5.014 4.320 0.013 0.000 0.290 833 A C -1.425 176.118 177.584 -0.069 0.000 1.136 833 A CA -0.710 51.295 52.037 -0.054 0.000 0.710 833 A CB 1.941 20.906 19.000 -0.059 0.000 1.303 833 A HN -0.007 nan 8.150 nan 0.000 0.413 834 V N 0.869 120.725 119.914 -0.096 0.000 2.417 834 V HA 0.570 4.698 4.120 0.013 0.000 0.291 834 V C -0.932 175.072 176.094 -0.150 0.000 1.024 834 V CA -0.388 61.837 62.300 -0.125 0.000 0.861 834 V CB 1.247 32.996 31.823 -0.123 0.000 0.985 834 V HN 0.788 nan 8.190 nan 0.000 0.436 835 L N 6.722 127.846 121.223 -0.165 0.000 2.319 835 L HA 0.623 4.971 4.340 0.013 0.000 0.281 835 L C -0.681 176.058 176.870 -0.219 0.000 1.005 835 L CA 0.043 54.793 54.840 -0.151 0.000 0.828 835 L CB 1.052 43.051 42.059 -0.100 0.000 1.227 835 L HN 0.416 nan 8.230 nan 0.000 0.415 836 I N 3.961 124.389 120.570 -0.237 0.000 2.385 836 I HA 0.414 4.591 4.170 0.013 0.000 0.294 836 I C 0.038 176.115 176.117 -0.068 0.000 0.988 836 I CA -0.207 60.901 61.300 -0.321 0.000 1.265 836 I CB 1.542 39.080 38.000 -0.769 0.000 1.388 836 I HN 0.567 nan 8.210 nan 0.000 0.480 837 T N 4.395 118.915 114.554 -0.056 0.000 2.841 837 T HA 0.533 4.891 4.350 0.013 0.000 0.285 837 T C 0.061 174.801 174.700 0.067 0.000 0.991 837 T CA -0.532 61.591 62.100 0.038 0.000 0.966 837 T CB 1.702 70.568 68.868 -0.004 0.000 0.962 837 T HN 0.804 nan 8.240 nan 0.000 0.438 838 T N -0.149 114.489 114.554 0.141 0.000 2.916 838 T HA 0.882 5.240 4.350 0.013 0.000 0.292 838 T C -1.087 173.661 174.700 0.081 0.000 1.055 838 T CA -1.046 61.111 62.100 0.094 0.000 1.009 838 T CB 2.008 70.975 68.868 0.165 0.000 1.118 838 T HN 0.743 nan 8.240 nan 0.000 0.497 839 A N 1.843 124.624 122.820 -0.065 0.000 2.429 839 A HA 0.721 5.049 4.320 0.013 0.000 0.289 839 A C -1.350 176.118 177.584 -0.193 0.000 1.043 839 A CA -0.760 51.267 52.037 -0.017 0.000 0.722 839 A CB 0.691 19.701 19.000 0.016 0.000 1.243 839 A HN 1.000 nan 8.150 nan 0.000 0.415 840 H N 0.348 119.417 119.070 -0.002 0.000 2.797 840 H HA 0.812 5.376 4.556 0.013 0.000 0.372 840 H C -0.023 175.192 175.328 -0.189 0.000 1.168 840 H CA 0.155 56.061 56.048 -0.237 0.000 1.163 840 H CB 2.161 31.570 29.762 -0.589 0.000 1.778 840 H HN 0.961 nan 8.280 nan 0.000 0.551 841 A N 1.762 124.480 122.820 -0.171 0.000 2.330 841 A HA 0.387 4.715 4.320 0.013 0.000 0.313 841 A C -1.333 176.193 177.584 -0.095 0.000 1.124 841 A CA -0.708 51.328 52.037 -0.002 0.000 0.774 841 A CB 0.940 19.956 19.000 0.026 0.000 1.198 841 A HN 0.562 nan 8.150 nan 0.000 0.465 842 W N 2.209 123.587 121.300 0.130 0.000 2.391 842 W HA 0.461 5.129 4.660 0.013 0.000 0.311 842 W C -0.151 176.377 176.519 0.015 0.000 1.087 842 W CA -0.163 57.253 57.345 0.118 0.000 1.209 842 W CB 1.549 31.120 29.460 0.185 0.000 1.273 842 W HN 0.796 nan 8.180 nan 0.000 0.482 843 Q N 1.191 121.123 119.800 0.221 0.000 2.605 843 Q HA 0.470 4.818 4.340 0.013 0.000 0.296 843 Q C -1.085 175.051 176.000 0.226 0.000 1.056 843 Q CA -1.028 54.864 55.803 0.148 0.000 0.778 843 Q CB 3.550 32.335 28.738 0.079 0.000 1.497 843 Q HN 0.432 nan 8.270 nan 0.000 0.443 844 H N 0.883 119.979 119.070 0.042 0.000 3.179 844 H HA 0.061 4.625 4.556 0.013 0.000 0.331 844 H C -0.990 174.364 175.328 0.044 0.000 1.013 844 H CA -0.106 55.978 56.048 0.060 0.000 1.430 844 H CB 1.074 30.879 29.762 0.072 0.000 1.895 844 H HN 0.678 nan 8.280 nan 0.000 0.468 845 Q N 3.116 122.598 119.800 -0.531 0.000 2.494 845 Q HA -0.162 4.186 4.340 0.013 0.000 0.272 845 Q C 1.067 176.977 176.000 -0.150 0.000 1.145 845 Q CA 1.789 57.357 55.803 -0.392 0.000 0.943 845 Q CB -1.952 26.500 28.738 -0.477 0.000 1.338 845 Q HN 1.244 nan 8.270 nan 0.000 0.492 846 G N -1.211 107.538 108.800 -0.084 0.000 2.179 846 G HA2 -0.374 3.594 3.960 0.013 0.000 0.260 846 G HA3 -0.374 3.594 3.960 0.013 0.000 0.260 846 G C 0.048 174.945 174.900 -0.004 0.000 0.977 846 G CA 0.609 45.691 45.100 -0.031 0.000 0.641 846 G HN 0.434 nan 8.290 nan 0.000 0.533 847 K N 1.307 121.716 120.400 0.015 0.000 2.185 847 K HA 0.637 4.965 4.320 0.013 0.000 0.269 847 K C 0.120 176.739 176.600 0.031 0.000 0.987 847 K CA -0.227 56.080 56.287 0.034 0.000 0.865 847 K CB 0.903 33.439 32.500 0.060 0.000 1.090 847 K HN -0.019 nan 8.250 nan 0.000 0.450 848 T N 6.318 120.878 114.554 0.010 0.000 2.738 848 T HA 0.191 4.549 4.350 0.013 0.000 0.294 848 T C 1.124 175.771 174.700 -0.089 0.000 0.914 848 T CA -0.293 61.807 62.100 0.001 0.000 1.052 848 T CB 0.139 69.024 68.868 0.027 0.000 0.897 848 T HN 0.528 nan 8.240 nan 0.000 0.522 849 L N 2.549 123.637 121.223 -0.225 0.000 2.102 849 L HA 0.308 4.656 4.340 0.013 0.000 0.202 849 L C -0.004 176.364 176.870 -0.837 0.000 1.076 849 L CA 0.989 55.419 54.840 -0.682 0.000 0.761 849 L CB -0.017 41.334 42.059 -1.181 0.000 0.921 849 L HN 0.509 nan 8.230 nan 0.000 0.444 850 F N -1.519 118.408 119.950 -0.039 0.000 2.645 850 F HA 0.557 5.092 4.527 0.013 0.000 0.310 850 F C -0.587 175.334 175.800 0.202 0.000 1.102 850 F CA -0.825 57.108 58.000 -0.112 0.000 0.952 850 F CB 1.907 40.484 39.000 -0.704 0.000 1.326 850 F HN -0.350 nan 8.300 nan 0.000 0.456 851 I N 1.323 122.145 120.570 0.419 0.000 2.509 851 I HA 0.481 4.659 4.170 0.013 0.000 0.293 851 I C -0.794 175.629 176.117 0.510 0.000 1.020 851 I CA -0.532 61.044 61.300 0.461 0.000 1.088 851 I CB 2.265 40.428 38.000 0.272 0.000 1.267 851 I HN 0.555 nan 8.210 nan 0.000 0.430 852 S N 6.493 122.612 115.700 0.698 0.000 2.519 852 S HA 0.616 5.094 4.470 0.013 0.000 0.309 852 S C -0.831 174.040 174.600 0.452 0.000 1.100 852 S CA -0.718 57.844 58.200 0.604 0.000 1.059 852 S CB 0.912 64.631 63.200 0.865 0.000 1.008 852 S HN 0.583 nan 8.310 nan 0.000 0.478 853 R N 3.214 123.895 120.500 0.302 0.000 2.393 853 R HA 0.542 4.890 4.340 0.013 0.000 0.315 853 R C -0.827 175.576 176.300 0.172 0.000 0.952 853 R CA -0.698 55.533 56.100 0.218 0.000 0.842 853 R CB 1.833 32.226 30.300 0.156 0.000 1.163 853 R HN 0.561 nan 8.270 nan 0.000 0.450 854 K N 0.922 121.431 120.400 0.183 0.000 2.435 854 K HA 0.459 4.787 4.320 0.013 0.000 0.251 854 K C -0.743 175.906 176.600 0.082 0.000 0.954 854 K CA -0.863 55.476 56.287 0.087 0.000 0.820 854 K CB 2.601 35.162 32.500 0.102 0.000 1.292 854 K HN 0.595 nan 8.250 nan 0.000 0.436 855 T N -1.307 113.225 114.554 -0.036 0.000 2.876 855 T HA 0.548 4.906 4.350 0.013 0.000 0.289 855 T C -1.203 173.435 174.700 -0.104 0.000 1.014 855 T CA -0.761 61.352 62.100 0.022 0.000 0.986 855 T CB 0.501 69.378 68.868 0.015 0.000 1.021 855 T HN 0.333 nan 8.240 nan 0.000 0.458 856 Y N 0.959 121.249 120.300 -0.017 0.000 2.341 856 Y HA 0.636 5.194 4.550 0.013 0.000 0.338 856 Y C 0.537 176.390 175.900 -0.079 0.000 0.965 856 Y CA -1.357 56.746 58.100 0.005 0.000 1.108 856 Y CB 1.682 40.178 38.460 0.060 0.000 1.180 856 Y HN 0.563 nan 8.280 nan 0.000 0.458 857 R N 4.649 125.185 120.500 0.059 0.000 2.388 857 R HA 0.562 4.910 4.340 0.013 0.000 0.314 857 R C -1.569 174.688 176.300 -0.072 0.000 0.959 857 R CA -0.475 55.613 56.100 -0.020 0.000 0.851 857 R CB 0.638 30.931 30.300 -0.011 0.000 1.168 857 R HN 0.808 nan 8.270 nan 0.000 0.472 858 I N 4.837 125.310 120.570 -0.162 0.000 2.330 858 I HA 0.131 4.308 4.170 0.013 0.000 0.286 858 I C 0.139 176.147 176.117 -0.181 0.000 1.025 858 I CA -0.793 60.337 61.300 -0.284 0.000 1.197 858 I CB 1.210 38.838 38.000 -0.619 0.000 1.358 858 I HN 0.597 nan 8.210 nan 0.000 0.467 859 D N 4.325 124.660 120.400 -0.109 0.000 2.451 859 D HA 0.185 4.832 4.640 0.013 0.000 0.259 859 D C 1.410 177.692 176.300 -0.030 0.000 1.201 859 D CA -0.620 53.347 54.000 -0.055 0.000 1.028 859 D CB 0.871 41.654 40.800 -0.029 0.000 1.095 859 D HN 0.476 nan 8.370 nan 0.000 0.539 860 G N -1.495 107.294 108.800 -0.018 0.000 2.559 860 G HA2 -0.146 3.822 3.960 0.013 0.000 0.216 860 G HA3 -0.146 3.822 3.960 0.013 0.000 0.216 860 G C 1.114 176.025 174.900 0.017 0.000 1.126 860 G CA 0.789 45.890 45.100 0.002 0.000 0.778 860 G HN 0.548 nan 8.290 nan 0.000 0.543 861 S N -1.147 114.560 115.700 0.011 0.000 2.575 861 S HA 0.396 4.874 4.470 0.013 0.000 0.215 861 S C 1.792 176.442 174.600 0.083 0.000 0.966 861 S CA 0.865 59.087 58.200 0.037 0.000 0.911 861 S CB 0.112 63.324 63.200 0.020 0.000 0.780 861 S HN 1.360 nan 8.310 nan 0.000 0.514 862 G N 0.913 109.773 108.800 0.101 0.000 2.176 862 G HA2 -0.239 3.729 3.960 0.013 0.000 0.253 862 G HA3 -0.239 3.729 3.960 0.013 0.000 0.253 862 G C -0.143 174.867 174.900 0.183 0.000 0.979 862 G CA 0.124 45.344 45.100 0.199 0.000 0.641 862 G HN 0.641 nan 8.290 nan 0.000 0.530 863 Q N -0.163 119.697 119.800 0.100 0.000 2.293 863 Q HA 0.571 4.919 4.340 0.013 0.000 0.251 863 Q C 0.237 176.267 176.000 0.050 0.000 0.930 863 Q CA -0.241 55.630 55.803 0.113 0.000 0.893 863 Q CB 1.464 30.263 28.738 0.102 0.000 1.215 863 Q HN 0.443 nan 8.270 nan 0.000 0.425 864 M N 2.319 121.985 119.600 0.110 0.000 2.080 864 M HA 0.404 4.892 4.480 0.013 0.000 0.350 864 M C -1.199 175.193 176.300 0.154 0.000 1.143 864 M CA -0.356 54.983 55.300 0.064 0.000 1.064 864 M CB 0.511 33.178 32.600 0.112 0.000 1.429 864 M HN 0.718 nan 8.290 nan 0.000 0.418 865 A N 6.509 129.389 122.820 0.099 0.000 2.301 865 A HA 0.673 5.001 4.320 0.013 0.000 0.298 865 A C -0.646 176.983 177.584 0.076 0.000 1.185 865 A CA -0.634 51.471 52.037 0.113 0.000 0.830 865 A CB 0.274 19.323 19.000 0.081 0.000 1.112 865 A HN 0.920 nan 8.150 nan 0.000 0.508 866 I N 2.256 122.868 120.570 0.069 0.000 2.339 866 I HA 0.300 4.478 4.170 0.013 0.000 0.290 866 I C -0.096 175.960 176.117 -0.102 0.000 0.994 866 I CA -0.140 61.101 61.300 -0.098 0.000 1.191 866 I CB 1.931 39.873 38.000 -0.097 0.000 1.343 866 I HN 0.496 nan 8.210 nan 0.000 0.458 867 T N 5.921 120.389 114.554 -0.143 0.000 2.779 867 T HA 0.504 4.861 4.350 0.013 0.000 0.280 867 T C -0.242 174.353 174.700 -0.175 0.000 0.987 867 T CA -0.431 61.618 62.100 -0.085 0.000 0.966 867 T CB 1.638 70.533 68.868 0.046 0.000 0.933 867 T HN 0.196 nan 8.240 nan 0.000 0.442 868 V N 4.024 123.716 119.914 -0.371 0.000 2.495 868 V HA 0.476 4.604 4.120 0.013 0.000 0.298 868 V C -0.579 175.361 176.094 -0.256 0.000 1.031 868 V CA -0.869 61.170 62.300 -0.435 0.000 0.871 868 V CB 1.930 33.184 31.823 -0.948 0.000 0.988 868 V HN 0.855 nan 8.190 nan 0.000 0.432 869 D N 3.689 124.109 120.400 0.032 0.000 2.505 869 D HA 0.467 5.115 4.640 0.013 0.000 0.250 869 D C -0.872 175.550 176.300 0.203 0.000 1.164 869 D CA -0.082 54.028 54.000 0.184 0.000 0.870 869 D CB 2.658 43.587 40.800 0.215 0.000 1.160 869 D HN 0.243 nan 8.370 nan 0.000 0.549 870 V N 1.794 121.856 119.914 0.247 0.000 2.732 870 V HA 0.367 4.495 4.120 0.013 0.000 0.310 870 V C 0.179 176.422 176.094 0.250 0.000 1.053 870 V CA -0.671 61.800 62.300 0.284 0.000 0.957 870 V CB 2.543 34.571 31.823 0.342 0.000 1.018 870 V HN 0.375 nan 8.190 nan 0.000 0.452 871 E N 1.424 121.771 120.200 0.245 0.000 2.191 871 E HA 0.564 4.922 4.350 0.013 0.000 0.263 871 E C -1.698 175.047 176.600 0.240 0.000 0.881 871 E CA -0.437 56.087 56.400 0.206 0.000 0.757 871 E CB 2.384 32.187 29.700 0.173 0.000 1.147 871 E HN 0.418 nan 8.360 nan 0.000 0.414 872 V N 2.453 122.512 119.914 0.241 0.000 2.409 872 V HA 0.359 4.487 4.120 0.013 0.000 0.291 872 V C 0.175 176.383 176.094 0.190 0.000 1.020 872 V CA -0.907 61.572 62.300 0.299 0.000 0.848 872 V CB 1.412 33.445 31.823 0.349 0.000 0.990 872 V HN 0.839 nan 8.190 nan 0.000 0.430 873 A N 3.793 126.671 122.820 0.097 0.000 2.573 873 A HA 0.168 4.496 4.320 0.013 0.000 0.250 873 A C 1.727 179.381 177.584 0.117 0.000 1.049 873 A CA 0.716 52.793 52.037 0.066 0.000 0.767 873 A CB 0.104 19.103 19.000 -0.002 0.000 0.965 873 A HN 1.407 nan 8.150 nan 0.000 0.514 874 S N 1.583 117.351 115.700 0.114 0.000 2.420 874 S HA -0.208 4.270 4.470 0.013 0.000 0.237 874 S C 0.994 175.668 174.600 0.124 0.000 1.023 874 S CA 1.539 59.822 58.200 0.138 0.000 0.991 874 S CB -0.329 62.932 63.200 0.103 0.000 0.792 874 S HN 0.863 nan 8.310 nan 0.000 0.488 875 D N -0.007 120.444 120.400 0.084 0.000 2.349 875 D HA 0.158 4.806 4.640 0.013 0.000 0.214 875 D C 0.615 176.951 176.300 0.060 0.000 1.063 875 D CA 0.069 54.103 54.000 0.057 0.000 0.847 875 D CB -0.400 40.422 40.800 0.037 0.000 0.933 875 D HN 0.319 nan 8.370 nan 0.000 0.513 876 T N 0.986 115.598 114.554 0.097 0.000 2.927 876 T HA 0.401 4.758 4.350 0.013 0.000 0.281 876 T C -2.586 172.240 174.700 0.210 0.000 0.998 876 T CA -1.967 60.224 62.100 0.152 0.000 1.019 876 T CB 1.105 70.070 68.868 0.163 0.000 1.061 876 T HN -0.157 nan 8.240 nan 0.000 0.518 877 P HA 0.096 nan 4.420 nan 0.000 0.265 877 P C -0.678 177.007 177.300 0.643 0.000 1.193 877 P CA 0.138 63.441 63.100 0.338 0.000 0.765 877 P CB -0.148 31.766 31.700 0.357 0.000 0.823 878 H N 4.169 123.653 119.070 0.690 0.000 3.157 878 H HA 0.037 4.601 4.556 0.013 0.000 0.299 878 H C -1.570 174.094 175.328 0.560 0.000 0.961 878 H CA -1.173 55.184 56.048 0.515 0.000 1.428 878 H CB -0.489 29.501 29.762 0.380 0.000 1.459 878 H HN 0.350 nan 8.280 nan 0.000 0.566 879 P HA -0.004 nan 4.420 nan 0.000 0.274 879 P C 0.271 177.376 177.300 -0.324 0.000 1.231 879 P CA -0.247 62.831 63.100 -0.038 0.000 0.790 879 P CB 1.097 32.695 31.700 -0.169 0.000 0.951 880 A N 3.522 125.836 122.820 -0.844 0.000 1.978 880 A HA -0.141 4.187 4.320 0.013 0.000 0.220 880 A C 0.966 178.116 177.584 -0.722 0.000 1.170 880 A CA 1.523 53.058 52.037 -0.836 0.000 0.636 880 A CB -0.608 17.757 19.000 -1.059 0.000 0.810 880 A HN 0.769 nan 8.150 nan 0.000 0.448 881 R N -3.293 116.829 120.500 -0.630 0.000 2.774 881 R HA 0.677 5.025 4.340 0.013 0.000 0.279 881 R C -1.654 174.323 176.300 -0.537 0.000 1.022 881 R CA -0.812 54.934 56.100 -0.590 0.000 0.855 881 R CB 0.586 30.493 30.300 -0.655 0.000 1.279 881 R HN -0.000 nan 8.270 nan 0.000 0.485 882 I N 1.100 121.384 120.570 -0.478 0.000 2.493 882 I HA 0.693 4.871 4.170 0.013 0.000 0.279 882 I C -0.314 175.507 176.117 -0.494 0.000 1.045 882 I CA -0.325 60.669 61.300 -0.508 0.000 1.106 882 I CB 1.734 39.537 38.000 -0.329 0.000 1.216 882 I HN 0.963 nan 8.210 nan 0.000 0.459 883 G N 5.840 114.280 108.800 -0.600 0.000 2.570 883 G HA2 0.670 4.638 3.960 0.013 0.000 0.310 883 G HA3 0.670 4.638 3.960 0.013 0.000 0.310 883 G C -1.647 173.056 174.900 -0.328 0.000 1.266 883 G CA -0.642 44.192 45.100 -0.444 0.000 0.825 883 G HN 0.275 nan 8.290 nan 0.000 0.483 884 L N 0.716 121.808 121.223 -0.220 0.000 2.303 884 L HA 0.712 5.060 4.340 0.013 0.000 0.266 884 L C -0.517 176.246 176.870 -0.179 0.000 1.011 884 L CA -1.166 53.584 54.840 -0.149 0.000 0.818 884 L CB 2.258 44.308 42.059 -0.016 0.000 1.326 884 L HN 0.781 nan 8.230 nan 0.000 0.435 885 N N 0.436 119.065 118.700 -0.119 0.000 2.484 885 N HA 0.680 5.428 4.740 0.013 0.000 0.269 885 N C -1.299 174.206 175.510 -0.008 0.000 1.237 885 N CA -0.539 52.468 53.050 -0.071 0.000 0.838 885 N CB 2.298 40.768 38.487 -0.027 0.000 1.593 885 N HN 0.902 nan 8.380 nan 0.000 0.485 886 C N -0.856 118.442 119.300 -0.002 0.000 3.312 886 C HA 0.608 5.076 4.460 0.013 0.000 0.332 886 C C -1.259 173.484 174.990 -0.412 0.000 1.340 886 C CA -0.838 58.114 59.018 -0.110 0.000 1.265 886 C CB 1.092 28.812 27.740 -0.034 0.000 1.563 886 C HN 0.854 nan 8.230 nan 0.000 0.471 887 Q N 1.190 120.553 119.800 -0.728 0.000 2.333 887 Q HA 0.701 5.049 4.340 0.013 0.000 0.265 887 Q C -1.181 174.518 176.000 -0.502 0.000 0.989 887 Q CA -0.462 54.697 55.803 -1.072 0.000 0.842 887 Q CB 1.072 28.702 28.738 -1.846 0.000 1.262 887 Q HN 0.752 nan 8.270 nan 0.000 0.451 888 L N 2.444 123.466 121.223 -0.336 0.000 2.375 888 L HA 0.396 4.744 4.340 0.013 0.000 0.271 888 L C 1.204 178.008 176.870 -0.110 0.000 1.107 888 L CA -0.304 54.463 54.840 -0.121 0.000 0.806 888 L CB 0.827 42.916 42.059 0.050 0.000 1.146 888 L HN 0.802 nan 8.230 nan 0.000 0.447 889 A N 1.543 124.330 122.820 -0.055 0.000 1.930 889 A HA -0.133 4.195 4.320 0.013 0.000 0.217 889 A C 1.240 178.818 177.584 -0.010 0.000 1.175 889 A CA 0.722 52.724 52.037 -0.057 0.000 0.627 889 A CB -0.384 18.583 19.000 -0.054 0.000 0.815 889 A HN 0.806 nan 8.150 nan 0.000 0.443 890 Q N -0.015 119.818 119.800 0.056 0.000 2.330 890 Q HA 0.335 4.683 4.340 0.013 0.000 0.279 890 Q C -1.154 174.920 176.000 0.123 0.000 1.024 890 Q CA 0.572 56.423 55.803 0.080 0.000 0.900 890 Q CB 0.565 29.403 28.738 0.167 0.000 1.221 890 Q HN 0.181 nan 8.270 nan 0.000 0.396 891 V N 3.847 123.791 119.914 0.051 0.000 2.445 891 V HA 0.715 4.843 4.120 0.013 0.000 0.283 891 V C -0.631 175.452 176.094 -0.018 0.000 1.014 891 V CA -0.308 62.042 62.300 0.083 0.000 0.852 891 V CB 0.909 32.754 31.823 0.037 0.000 1.021 891 V HN 0.882 nan 8.190 nan 0.000 0.435 892 A N 2.930 125.702 122.820 -0.079 0.000 2.330 892 A HA 0.782 5.110 4.320 0.013 0.000 0.329 892 A C 0.688 178.288 177.584 0.027 0.000 1.135 892 A CA -0.480 51.443 52.037 -0.190 0.000 0.817 892 A CB 1.287 19.924 19.000 -0.604 0.000 1.269 892 A HN 0.770 nan 8.150 nan 0.000 0.469 893 E N 0.152 120.358 120.200 0.010 0.000 2.107 893 E HA -0.053 4.305 4.350 0.013 0.000 0.191 893 E C 0.294 176.964 176.600 0.116 0.000 0.982 893 E CA 0.816 57.252 56.400 0.060 0.000 0.809 893 E CB 0.094 29.811 29.700 0.028 0.000 0.756 893 E HN 0.522 nan 8.360 nan 0.000 0.459 894 R N 0.349 120.925 120.500 0.128 0.000 2.873 894 R HA 0.562 4.910 4.340 0.013 0.000 0.264 894 R C -0.696 175.790 176.300 0.309 0.000 1.026 894 R CA -0.810 55.400 56.100 0.183 0.000 1.002 894 R CB 1.506 31.888 30.300 0.136 0.000 1.174 894 R HN -0.166 nan 8.270 nan 0.000 0.488 895 V N 1.368 121.472 119.914 0.317 0.000 2.588 895 V HA 0.404 4.532 4.120 0.013 0.000 0.304 895 V C -0.359 175.999 176.094 0.439 0.000 1.042 895 V CA -0.952 61.575 62.300 0.379 0.000 0.877 895 V CB 1.902 33.894 31.823 0.283 0.000 0.996 895 V HN 0.743 nan 8.190 nan 0.000 0.425 896 N N 3.969 122.920 118.700 0.419 0.000 2.410 896 N HA 0.472 5.220 4.740 0.013 0.000 0.287 896 N C -1.466 174.295 175.510 0.419 0.000 1.044 896 N CA -0.448 52.812 53.050 0.349 0.000 0.881 896 N CB 2.665 41.250 38.487 0.163 0.000 1.405 896 N HN 0.845 nan 8.380 nan 0.000 0.490 897 W N 3.373 124.715 121.300 0.071 0.000 3.083 897 W HA 0.618 5.285 4.660 0.013 0.000 0.333 897 W C -1.855 174.634 176.519 -0.050 0.000 1.217 897 W CA -1.135 56.224 57.345 0.024 0.000 1.170 897 W CB 0.778 30.264 29.460 0.042 0.000 1.437 897 W HN 0.221 nan 8.180 nan 0.000 0.557 898 L N 4.384 125.590 121.223 -0.028 0.000 2.314 898 L HA 0.841 5.189 4.340 0.013 0.000 0.275 898 L C 0.018 176.756 176.870 -0.219 0.000 1.068 898 L CA 0.341 55.003 54.840 -0.297 0.000 0.894 898 L CB 0.169 42.140 42.059 -0.147 0.000 1.275 898 L HN 0.895 nan 8.230 nan 0.000 0.432 899 G N 3.406 111.966 108.800 -0.400 0.000 2.500 899 G HA2 0.279 4.247 3.960 0.013 0.000 0.299 899 G HA3 0.279 4.247 3.960 0.013 0.000 0.299 899 G C -1.554 173.369 174.900 0.038 0.000 1.242 899 G CA -0.977 44.110 45.100 -0.021 0.000 0.859 899 G HN 0.279 nan 8.290 nan 0.000 0.481 900 L N 1.124 122.523 121.223 0.294 0.000 2.331 900 L HA 0.629 4.977 4.340 0.013 0.000 0.278 900 L C 0.975 177.960 176.870 0.192 0.000 1.106 900 L CA 0.571 55.538 54.840 0.212 0.000 0.824 900 L CB 0.667 42.799 42.059 0.122 0.000 1.142 900 L HN 1.080 nan 8.230 nan 0.000 0.443 901 G N 3.033 111.728 108.800 -0.175 0.000 2.348 901 G HA2 0.255 4.223 3.960 0.013 0.000 0.296 901 G HA3 0.255 4.223 3.960 0.013 0.000 0.296 901 G C -2.767 171.363 174.900 -1.284 0.000 1.258 901 G CA -0.285 44.442 45.100 -0.621 0.000 0.868 901 G HN 0.298 nan 8.290 nan 0.000 0.488 902 P HA 0.085 nan 4.420 nan 0.000 0.230 902 P C 0.556 177.675 177.300 -0.302 0.000 1.168 902 P CA 0.666 63.187 63.100 -0.965 0.000 0.793 902 P CB 0.397 31.604 31.700 -0.822 0.000 0.851 903 Q N 0.391 120.004 119.800 -0.311 0.000 2.316 903 Q HA 0.140 4.488 4.340 0.013 0.000 0.215 903 Q C 0.496 176.383 176.000 -0.188 0.000 1.020 903 Q CA -0.591 55.097 55.803 -0.192 0.000 0.970 903 Q CB 0.562 29.205 28.738 -0.157 0.000 1.187 903 Q HN 0.147 nan 8.270 nan 0.000 0.546 904 E N 1.019 121.113 120.200 -0.176 0.000 2.437 904 E HA -0.070 4.288 4.350 0.013 0.000 0.263 904 E C -1.135 175.372 176.600 -0.155 0.000 1.030 904 E CA 0.234 56.513 56.400 -0.202 0.000 0.934 904 E CB 0.333 29.968 29.700 -0.109 0.000 0.943 904 E HN 0.632 nan 8.360 nan 0.000 0.444 905 N N 2.079 120.609 118.700 -0.283 0.000 2.504 905 N HA 0.321 5.069 4.740 0.013 0.000 0.268 905 N C -1.878 173.388 175.510 -0.407 0.000 1.184 905 N CA -0.678 52.263 53.050 -0.181 0.000 0.875 905 N CB 0.690 39.090 38.487 -0.145 0.000 1.630 905 N HN 0.276 nan 8.380 nan 0.000 0.486 906 Y N -0.375 119.830 120.300 -0.158 0.000 2.662 906 Y HA 0.525 5.083 4.550 0.013 0.000 0.335 906 Y C -1.672 174.148 175.900 -0.134 0.000 1.066 906 Y CA -2.046 55.944 58.100 -0.183 0.000 1.116 906 Y CB 1.708 40.055 38.460 -0.189 0.000 1.308 906 Y HN 0.424 nan 8.280 nan 0.000 0.502 907 P HA -0.179 nan 4.420 nan 0.000 0.216 907 P C 0.397 177.556 177.300 -0.234 0.000 1.153 907 P CA 2.211 65.344 63.100 0.055 0.000 0.858 907 P CB 0.175 32.019 31.700 0.240 0.000 0.789 908 D N -2.272 117.767 120.400 -0.601 0.000 2.328 908 D HA -0.005 4.643 4.640 0.013 0.000 0.221 908 D C 0.723 176.861 176.300 -0.269 0.000 1.072 908 D CA 0.137 53.566 54.000 -0.951 0.000 0.850 908 D CB -0.287 39.743 40.800 -1.283 0.000 0.922 908 D HN 0.129 nan 8.370 nan 0.000 0.516 909 R N 1.027 121.474 120.500 -0.089 0.000 2.684 909 R HA 0.192 4.540 4.340 0.013 0.000 0.252 909 R C -0.661 175.674 176.300 0.058 0.000 1.628 909 R CA -0.154 55.964 56.100 0.029 0.000 1.622 909 R CB 0.048 30.372 30.300 0.040 0.000 1.418 909 R HN 0.105 nan 8.270 nan 0.000 0.697 910 L N -1.838 119.425 121.223 0.067 0.000 3.386 910 L HA 0.326 4.674 4.340 0.013 0.000 0.307 910 L C 1.321 178.248 176.870 0.095 0.000 1.235 910 L CA 0.089 54.965 54.840 0.060 0.000 1.056 910 L CB 0.136 42.219 42.059 0.040 0.000 1.453 910 L HN 0.075 nan 8.230 nan 0.000 0.615 911 T N -2.540 112.099 114.554 0.143 0.000 2.881 911 T HA -0.018 4.340 4.350 0.013 0.000 0.270 911 T C 1.738 176.497 174.700 0.099 0.000 1.068 911 T CA 1.351 63.557 62.100 0.178 0.000 1.131 911 T CB -0.310 68.715 68.868 0.262 0.000 0.871 911 T HN 0.405 nan 8.240 nan 0.000 0.479 912 A N 1.362 124.239 122.820 0.095 0.000 2.119 912 A HA 0.675 5.002 4.320 0.013 0.000 0.216 912 A C 1.583 179.216 177.584 0.081 0.000 1.152 912 A CA 0.433 52.456 52.037 -0.022 0.000 0.708 912 A CB -0.783 18.337 19.000 0.200 0.000 0.805 912 A HN 0.814 nan 8.150 nan 0.000 0.460 913 A N -1.147 121.691 122.820 0.030 0.000 2.332 913 A HA 0.477 4.805 4.320 0.013 0.000 0.258 913 A C -0.043 177.552 177.584 0.018 0.000 1.087 913 A CA -0.153 51.866 52.037 -0.031 0.000 0.802 913 A CB 0.025 18.987 19.000 -0.064 0.000 1.042 913 A HN 0.446 nan 8.150 nan 0.000 0.489 914 C N 0.245 119.549 119.300 0.007 0.000 2.456 914 C HA 0.515 4.983 4.460 0.013 0.000 0.325 914 C C -0.095 174.983 174.990 0.146 0.000 1.217 914 C CA -0.422 58.651 59.018 0.092 0.000 1.687 914 C CB 0.495 28.303 27.740 0.114 0.000 2.270 914 C HN 0.757 nan 8.230 nan 0.000 0.499 915 F N 4.310 124.106 119.950 -0.256 0.000 2.438 915 F HA 0.432 4.967 4.527 0.013 0.000 0.360 915 F C 0.373 175.857 175.800 -0.526 0.000 1.118 915 F CA 1.092 58.806 58.000 -0.476 0.000 1.164 915 F CB -0.174 38.078 39.000 -1.246 0.000 1.131 915 F HN 0.641 nan 8.300 nan 0.000 0.527 916 D N 3.692 123.420 120.400 -1.119 0.000 2.865 916 D HA 0.175 4.823 4.640 0.013 0.000 0.343 916 D C -1.566 173.811 176.300 -1.539 0.000 1.372 916 D CA -0.768 52.502 54.000 -1.216 0.000 0.862 916 D CB 1.673 41.735 40.800 -1.229 0.000 1.425 916 D HN 0.508 nan 8.370 nan 0.000 0.501 917 R N 0.806 120.523 120.500 -1.305 0.000 2.207 917 R HA 0.488 4.836 4.340 0.013 0.000 0.334 917 R C -1.379 174.209 176.300 -1.186 0.000 1.013 917 R CA -0.312 55.166 56.100 -1.036 0.000 0.858 917 R CB 0.292 30.249 30.300 -0.572 0.000 1.094 917 R HN 0.250 nan 8.270 nan 0.000 0.457 918 W N 2.585 123.368 121.300 -0.861 0.000 2.639 918 W HA 0.453 5.121 4.660 0.013 0.000 0.347 918 W C -0.448 175.719 176.519 -0.586 0.000 1.067 918 W CA -0.649 56.150 57.345 -0.911 0.000 1.218 918 W CB 1.604 30.067 29.460 -1.661 0.000 1.393 918 W HN 0.385 nan 8.180 nan 0.000 0.557 919 D N 2.276 122.651 120.400 -0.042 0.000 2.764 919 D HA 0.406 5.053 4.640 0.013 0.000 0.227 919 D C -1.589 174.806 176.300 0.158 0.000 1.347 919 D CA -0.172 53.889 54.000 0.101 0.000 0.953 919 D CB 1.127 41.944 40.800 0.029 0.000 1.476 919 D HN 0.373 nan 8.370 nan 0.000 0.585 920 L N 2.962 124.341 121.223 0.260 0.000 2.359 920 L HA 0.555 4.903 4.340 0.013 0.000 0.256 920 L C -2.295 174.682 176.870 0.177 0.000 1.026 920 L CA -2.128 52.834 54.840 0.203 0.000 0.828 920 L CB 2.732 44.945 42.059 0.256 0.000 1.406 920 L HN 0.172 nan 8.230 nan 0.000 0.413 921 P HA -0.001 nan 4.420 nan 0.000 0.269 921 P C 0.581 177.950 177.300 0.116 0.000 1.209 921 P CA -0.271 62.892 63.100 0.105 0.000 0.776 921 P CB 0.893 32.636 31.700 0.072 0.000 0.876 922 L N 3.727 125.025 121.223 0.124 0.000 2.043 922 L HA -0.254 4.094 4.340 0.013 0.000 0.212 922 L C 2.154 179.067 176.870 0.073 0.000 1.075 922 L CA 2.768 57.673 54.840 0.110 0.000 0.752 922 L CB -1.419 40.720 42.059 0.133 0.000 0.891 922 L HN 0.446 nan 8.230 nan 0.000 0.432 923 S N -2.295 113.448 115.700 0.071 0.000 2.515 923 S HA -0.103 4.375 4.470 0.013 0.000 0.231 923 S C 1.530 176.192 174.600 0.102 0.000 0.987 923 S CA 0.749 59.006 58.200 0.095 0.000 0.936 923 S CB -0.667 62.587 63.200 0.090 0.000 0.766 923 S HN 0.492 nan 8.310 nan 0.000 0.528 924 D N 1.571 122.007 120.400 0.060 0.000 2.350 924 D HA 0.060 4.708 4.640 0.013 0.000 0.216 924 D C 1.174 177.466 176.300 -0.014 0.000 0.968 924 D CA 0.715 54.727 54.000 0.020 0.000 0.894 924 D CB -0.126 40.695 40.800 0.035 0.000 0.909 924 D HN 0.417 nan 8.370 nan 0.000 0.520 925 M N -0.400 119.202 119.600 0.004 0.000 2.505 925 M HA 0.088 4.576 4.480 0.013 0.000 0.230 925 M C -0.177 176.120 176.300 -0.005 0.000 1.153 925 M CA -0.112 55.148 55.300 -0.067 0.000 0.997 925 M CB -0.736 31.806 32.600 -0.096 0.000 1.606 925 M HN -0.059 nan 8.290 nan 0.000 0.481 926 Y N 0.133 120.381 120.300 -0.087 0.000 2.391 926 Y HA 0.502 5.060 4.550 0.013 0.000 0.341 926 Y C -0.828 175.003 175.900 -0.114 0.000 0.965 926 Y CA -0.794 57.272 58.100 -0.058 0.000 1.067 926 Y CB 1.360 39.850 38.460 0.051 0.000 1.199 926 Y HN -0.095 nan 8.280 nan 0.000 0.450 927 T N 9.071 123.092 114.554 -0.888 0.000 2.743 927 T HA 0.292 4.649 4.350 0.013 0.000 0.292 927 T C -2.700 171.168 174.700 -1.388 0.000 0.972 927 T CA -1.515 59.998 62.100 -0.979 0.000 0.967 927 T CB 1.041 69.421 68.868 -0.813 0.000 0.926 927 T HN 0.454 nan 8.240 nan 0.000 0.459 928 P HA 0.157 nan 4.420 nan 0.000 0.220 928 P C -0.682 176.464 177.300 -0.258 0.000 1.806 928 P CA -0.477 62.218 63.100 -0.676 0.000 0.976 928 P CB -0.748 30.690 31.700 -0.436 0.000 1.952 929 Y N -0.050 120.191 120.300 -0.098 0.000 2.620 929 Y HA -0.092 4.466 4.550 0.013 0.000 0.330 929 Y C 2.228 178.190 175.900 0.103 0.000 1.186 929 Y CA -0.485 57.624 58.100 0.016 0.000 1.467 929 Y CB 0.606 39.017 38.460 -0.082 0.000 1.262 929 Y HN -0.053 nan 8.280 nan 0.000 0.550 930 V N 4.079 124.218 119.914 0.374 0.000 2.332 930 V HA -0.308 3.820 4.120 0.013 0.000 0.248 930 V C 0.515 176.795 176.094 0.309 0.000 1.055 930 V CA 1.428 63.931 62.300 0.338 0.000 1.038 930 V CB -0.550 31.502 31.823 0.381 0.000 0.651 930 V HN 0.575 nan 8.190 nan 0.000 0.450 931 F N 3.301 123.315 119.950 0.106 0.000 2.371 931 F HA 0.534 5.069 4.527 0.013 0.000 0.363 931 F C -2.514 173.306 175.800 0.033 0.000 1.122 931 F CA -3.546 54.461 58.000 0.012 0.000 1.129 931 F CB 0.721 39.650 39.000 -0.118 0.000 1.173 931 F HN -0.020 nan 8.300 nan 0.000 0.489 932 P HA 0.306 nan 4.420 nan 0.000 0.271 932 P C -1.055 175.851 177.300 -0.658 0.000 1.218 932 P CA 0.010 62.817 63.100 -0.488 0.000 0.780 932 P CB 1.359 32.841 31.700 -0.364 0.000 0.901 933 S N -0.203 115.343 115.700 -0.257 0.000 2.703 933 S HA 0.417 4.895 4.470 0.013 0.000 0.273 933 S C -0.780 173.797 174.600 -0.038 0.000 1.178 933 S CA -0.973 57.129 58.200 -0.163 0.000 0.838 933 S CB 0.326 63.474 63.200 -0.085 0.000 1.178 933 S HN 0.348 nan 8.310 nan 0.000 0.494 934 E N 1.164 121.361 120.200 -0.006 0.000 2.481 934 E HA 0.357 4.715 4.350 0.013 0.000 0.263 934 E C -0.139 176.517 176.600 0.092 0.000 0.992 934 E CA 0.935 57.361 56.400 0.044 0.000 0.938 934 E CB -0.151 29.602 29.700 0.088 0.000 0.933 934 E HN 0.829 nan 8.360 nan 0.000 0.453 935 N N 1.113 119.886 118.700 0.122 0.000 3.355 935 N HA 0.433 5.181 4.740 0.013 0.000 0.238 935 N C 0.155 175.686 175.510 0.035 0.000 1.466 935 N CA -0.533 52.619 53.050 0.170 0.000 0.882 935 N CB 0.628 39.195 38.487 0.133 0.000 1.406 935 N HN 0.761 nan 8.380 nan 0.000 0.500 936 G N -1.301 107.478 108.800 -0.035 0.000 2.184 936 G HA2 -0.268 3.700 3.960 0.013 0.000 0.264 936 G HA3 -0.268 3.700 3.960 0.013 0.000 0.264 936 G C -0.154 174.468 174.900 -0.464 0.000 0.975 936 G CA 0.411 45.379 45.100 -0.219 0.000 0.642 936 G HN 0.705 nan 8.290 nan 0.000 0.536 937 L N -0.004 120.871 121.223 -0.580 0.000 2.499 937 L HA 0.622 4.969 4.340 0.013 0.000 0.281 937 L C 0.718 176.998 176.870 -0.984 0.000 1.234 937 L CA 0.621 54.893 54.840 -0.946 0.000 0.839 937 L CB 0.518 41.763 42.059 -1.355 0.000 1.104 937 L HN 0.280 nan 8.230 nan 0.000 0.500 938 R N 2.157 121.984 120.500 -1.122 0.000 2.538 938 R HA 0.473 4.821 4.340 0.013 0.000 0.292 938 R C -1.005 174.957 176.300 -0.564 0.000 1.008 938 R CA -0.316 55.290 56.100 -0.823 0.000 0.896 938 R CB 1.355 31.090 30.300 -0.942 0.000 1.187 938 R HN 0.714 nan 8.270 nan 0.000 0.440 939 C N 0.190 119.308 119.300 -0.303 0.000 2.548 939 C HA 0.712 5.180 4.460 0.013 0.000 0.412 939 C C 1.365 176.352 174.990 -0.004 0.000 1.588 939 C CA 0.010 58.933 59.018 -0.158 0.000 1.861 939 C CB 1.096 28.761 27.740 -0.126 0.000 1.983 939 C HN 1.027 nan 8.230 nan 0.000 0.497 940 G N 1.416 110.218 108.800 0.004 0.000 2.379 940 G HA2 -0.188 3.780 3.960 0.013 0.000 0.297 940 G HA3 -0.188 3.780 3.960 0.013 0.000 0.297 940 G C -0.055 174.921 174.900 0.126 0.000 1.004 940 G CA 0.678 45.826 45.100 0.080 0.000 0.921 940 G HN 0.791 nan 8.290 nan 0.000 0.511 941 T N 0.006 114.524 114.554 -0.060 0.000 2.767 941 T HA 0.521 4.879 4.350 0.013 0.000 0.284 941 T C 1.274 175.673 174.700 -0.502 0.000 0.973 941 T CA -0.719 61.301 62.100 -0.133 0.000 0.996 941 T CB 1.385 70.231 68.868 -0.036 0.000 0.927 941 T HN 0.212 nan 8.240 nan 0.000 0.456 942 R N 1.572 121.983 120.500 -0.147 0.000 2.282 942 R HA 0.300 4.648 4.340 0.013 0.000 0.195 942 R C 0.519 176.817 176.300 -0.003 0.000 0.909 942 R CA 0.161 56.219 56.100 -0.070 0.000 1.039 942 R CB 0.353 30.736 30.300 0.138 0.000 1.015 942 R HN 0.688 nan 8.270 nan 0.000 0.513 943 E N 0.435 120.650 120.200 0.026 0.000 2.381 943 E HA 0.272 4.630 4.350 0.013 0.000 0.286 943 E C -1.884 174.842 176.600 0.210 0.000 0.960 943 E CA -0.601 55.900 56.400 0.168 0.000 0.793 943 E CB 1.503 31.281 29.700 0.130 0.000 1.225 943 E HN -0.067 nan 8.360 nan 0.000 0.420 944 L N 3.774 125.174 121.223 0.296 0.000 2.386 944 L HA 0.621 4.969 4.340 0.013 0.000 0.271 944 L C -1.743 175.306 176.870 0.297 0.000 0.993 944 L CA -0.401 54.569 54.840 0.217 0.000 0.819 944 L CB 1.814 43.884 42.059 0.019 0.000 1.294 944 L HN 0.464 nan 8.230 nan 0.000 0.414 945 N N 4.117 122.979 118.700 0.271 0.000 2.295 945 N HA 0.436 5.184 4.740 0.013 0.000 0.293 945 N C -2.029 173.708 175.510 0.378 0.000 1.040 945 N CA -0.282 52.920 53.050 0.252 0.000 0.840 945 N CB 2.305 40.885 38.487 0.155 0.000 1.468 945 N HN 0.599 nan 8.380 nan 0.000 0.478 946 Y N 0.995 121.411 120.300 0.193 0.000 2.313 946 Y HA 0.399 4.957 4.550 0.013 0.000 0.320 946 Y C 0.512 176.531 175.900 0.197 0.000 1.171 946 Y CA 0.219 58.444 58.100 0.209 0.000 1.093 946 Y CB 0.499 39.146 38.460 0.312 0.000 1.224 946 Y HN 0.865 nan 8.280 nan 0.000 0.421 947 G N 6.421 114.997 108.800 -0.373 0.000 2.574 947 G HA2 -0.292 3.676 3.960 0.013 0.000 0.286 947 G HA3 -0.292 3.676 3.960 0.013 0.000 0.286 947 G C -1.756 173.033 174.900 -0.185 0.000 1.212 947 G CA 0.067 44.971 45.100 -0.327 0.000 0.979 947 G HN 0.626 nan 8.290 nan 0.000 0.557 948 P HA 0.149 nan 4.420 nan 0.000 0.249 948 P C 0.302 177.404 177.300 -0.330 0.000 1.229 948 P CA 0.811 63.721 63.100 -0.317 0.000 0.788 948 P CB -0.082 31.363 31.700 -0.425 0.000 1.072 949 H N 0.033 119.019 119.070 -0.139 0.000 2.496 949 H HA 0.522 5.086 4.556 0.013 0.000 0.342 949 H C -0.163 174.832 175.328 -0.553 0.000 1.170 949 H CA -0.418 55.408 56.048 -0.371 0.000 1.274 949 H CB 1.605 30.951 29.762 -0.694 0.000 1.538 949 H HN 0.028 nan 8.280 nan 0.000 0.542 950 Q N 1.766 121.226 119.800 -0.566 0.000 2.263 950 Q HA 0.176 4.524 4.340 0.013 0.000 0.262 950 Q C -1.746 173.960 176.000 -0.489 0.000 0.984 950 Q CA -0.628 54.954 55.803 -0.367 0.000 0.813 950 Q CB 2.099 30.792 28.738 -0.076 0.000 1.299 950 Q HN 0.593 nan 8.270 nan 0.000 0.428 951 W N 3.623 124.875 121.300 -0.079 0.000 2.606 951 W HA 0.606 5.274 4.660 0.013 0.000 0.332 951 W C -0.051 176.567 176.519 0.166 0.000 1.052 951 W CA -0.691 56.603 57.345 -0.085 0.000 1.223 951 W CB 1.870 31.079 29.460 -0.418 0.000 1.383 951 W HN 0.515 nan 8.180 nan 0.000 0.524 952 R N 0.375 121.132 120.500 0.428 0.000 2.744 952 R HA 0.754 5.102 4.340 0.013 0.000 0.279 952 R C 0.149 176.720 176.300 0.450 0.000 0.977 952 R CA -0.426 55.920 56.100 0.411 0.000 0.906 952 R CB 2.434 32.881 30.300 0.244 0.000 1.197 952 R HN 0.748 nan 8.270 nan 0.000 0.463 953 G N 0.572 109.597 108.800 0.375 0.000 2.591 953 G HA2 0.035 4.003 3.960 0.013 0.000 0.104 953 G HA3 0.035 4.003 3.960 0.013 0.000 0.104 953 G C -1.708 173.256 174.900 0.106 0.000 1.097 953 G CA -0.304 44.982 45.100 0.309 0.000 1.076 953 G HN 0.485 nan 8.290 nan 0.000 0.485 954 D N 0.055 120.501 120.400 0.076 0.000 2.527 954 D HA 0.560 5.207 4.640 0.013 0.000 0.242 954 D C -0.811 175.424 176.300 -0.108 0.000 1.285 954 D CA -0.424 53.520 54.000 -0.092 0.000 0.886 954 D CB 0.124 40.931 40.800 0.012 0.000 1.402 954 D HN 0.509 nan 8.370 nan 0.000 0.528 955 F N -0.453 119.473 119.950 -0.040 0.000 2.706 955 F HA 0.733 5.268 4.527 0.013 0.000 0.328 955 F C -0.855 174.893 175.800 -0.088 0.000 1.123 955 F CA -1.020 56.890 58.000 -0.149 0.000 0.978 955 F CB 0.698 39.606 39.000 -0.153 0.000 1.404 955 F HN -0.200 nan 8.300 nan 0.000 0.497 956 Q N 1.576 121.480 119.800 0.174 0.000 2.306 956 Q HA 0.672 5.019 4.340 0.013 0.000 0.265 956 Q C -1.228 174.869 176.000 0.162 0.000 1.022 956 Q CA -0.497 55.336 55.803 0.049 0.000 0.853 956 Q CB 2.688 31.332 28.738 -0.157 0.000 1.327 956 Q HN 0.877 nan 8.270 nan 0.000 0.449 957 F N -1.176 118.659 119.950 -0.191 0.000 2.741 957 F HA 0.711 5.246 4.527 0.013 0.000 0.311 957 F C -1.732 173.845 175.800 -0.372 0.000 1.149 957 F CA -1.099 56.729 58.000 -0.286 0.000 0.930 957 F CB 1.421 40.261 39.000 -0.266 0.000 1.312 957 F HN 0.596 nan 8.300 nan 0.000 0.450 958 N N 1.537 120.038 118.700 -0.331 0.000 2.416 958 N HA 0.771 5.519 4.740 0.013 0.000 0.276 958 N C -2.150 173.271 175.510 -0.148 0.000 1.261 958 N CA -0.748 52.084 53.050 -0.363 0.000 0.790 958 N CB 2.656 40.941 38.487 -0.336 0.000 1.554 958 N HN 1.155 nan 8.380 nan 0.000 0.481 959 I N 0.133 120.614 120.570 -0.149 0.000 2.710 959 I HA 0.656 4.834 4.170 0.013 0.000 0.290 959 I C -1.545 174.496 176.117 -0.127 0.000 1.318 959 I CA 0.031 61.230 61.300 -0.169 0.000 1.045 959 I CB 1.483 39.309 38.000 -0.291 0.000 1.307 959 I HN 1.093 nan 8.210 nan 0.000 0.424 960 S N 6.171 121.815 115.700 -0.093 0.000 2.683 960 S HA 0.513 4.991 4.470 0.013 0.000 0.269 960 S C -0.390 174.128 174.600 -0.137 0.000 1.165 960 S CA -0.908 57.235 58.200 -0.095 0.000 0.840 960 S CB 1.737 64.946 63.200 0.015 0.000 1.169 960 S HN 0.626 nan 8.310 nan 0.000 0.490 961 R N -0.057 120.206 120.500 -0.395 0.000 2.356 961 R HA 0.350 4.698 4.340 0.013 0.000 0.234 961 R C -1.062 174.924 176.300 -0.524 0.000 0.929 961 R CA 0.177 56.008 56.100 -0.448 0.000 1.084 961 R CB -1.154 28.744 30.300 -0.669 0.000 1.105 961 R HN 0.659 nan 8.270 nan 0.000 0.515 962 Y N -0.323 119.942 120.300 -0.059 0.000 2.361 962 Y HA 0.222 4.779 4.550 0.013 0.000 0.337 962 Y C 0.652 176.325 175.900 -0.378 0.000 0.965 962 Y CA -1.108 56.869 58.100 -0.205 0.000 1.091 962 Y CB 1.529 39.825 38.460 -0.274 0.000 1.182 962 Y HN -0.106 nan 8.280 nan 0.000 0.450 963 S N 1.688 117.054 115.700 -0.557 0.000 2.603 963 S HA 0.070 4.548 4.470 0.013 0.000 0.268 963 S C 0.876 175.139 174.600 -0.562 0.000 1.317 963 S CA -0.687 56.847 58.200 -1.109 0.000 1.012 963 S CB 1.218 63.563 63.200 -1.425 0.000 0.926 963 S HN 0.737 nan 8.310 nan 0.000 0.539 964 Q N 0.798 120.281 119.800 -0.529 0.000 2.084 964 Q HA -0.201 4.147 4.340 0.013 0.000 0.202 964 Q C 2.227 178.070 176.000 -0.262 0.000 0.978 964 Q CA 1.941 57.569 55.803 -0.291 0.000 0.844 964 Q CB -0.636 27.970 28.738 -0.220 0.000 0.898 964 Q HN 0.972 nan 8.270 nan 0.000 0.426 965 Q N 0.592 120.202 119.800 -0.316 0.000 2.061 965 Q HA -0.233 4.114 4.340 0.013 0.000 0.204 965 Q C 2.165 178.032 176.000 -0.222 0.000 0.984 965 Q CA 1.721 57.386 55.803 -0.230 0.000 0.846 965 Q CB -0.000 28.611 28.738 -0.210 0.000 0.902 965 Q HN 0.412 nan 8.270 nan 0.000 0.421 966 Q N 0.041 119.678 119.800 -0.273 0.000 2.050 966 Q HA -0.181 4.167 4.340 0.013 0.000 0.202 966 Q C 2.261 178.108 176.000 -0.255 0.000 0.980 966 Q CA 1.385 57.034 55.803 -0.257 0.000 0.840 966 Q CB -0.148 28.409 28.738 -0.302 0.000 0.898 966 Q HN 0.494 nan 8.270 nan 0.000 0.424 967 L N 0.133 121.202 121.223 -0.257 0.000 1.997 967 L HA -0.289 4.059 4.340 0.013 0.000 0.216 967 L C 2.771 179.485 176.870 -0.260 0.000 1.074 967 L CA 1.661 56.346 54.840 -0.257 0.000 0.763 967 L CB -0.460 41.481 42.059 -0.196 0.000 0.890 967 L HN 0.409 nan 8.230 nan 0.000 0.434 968 M N -0.835 118.637 119.600 -0.213 0.000 2.279 968 M HA -0.203 4.285 4.480 0.013 0.000 0.264 968 M C 1.596 177.803 176.300 -0.155 0.000 1.062 968 M CA 1.638 56.827 55.300 -0.185 0.000 1.099 968 M CB -0.047 32.443 32.600 -0.184 0.000 1.394 968 M HN 0.249 nan 8.290 nan 0.000 0.426 969 E N -1.174 118.935 120.200 -0.152 0.000 2.479 969 E HA 0.049 4.407 4.350 0.013 0.000 0.193 969 E C -0.298 176.247 176.600 -0.091 0.000 1.049 969 E CA 0.093 56.433 56.400 -0.100 0.000 0.870 969 E CB 0.404 30.053 29.700 -0.085 0.000 0.944 969 E HN 0.250 nan 8.360 nan 0.000 0.492 970 T N 0.230 114.698 114.554 -0.144 0.000 2.792 970 T HA 0.109 4.467 4.350 0.013 0.000 0.280 970 T C 0.969 175.605 174.700 -0.107 0.000 0.990 970 T CA -0.537 61.487 62.100 -0.127 0.000 0.960 970 T CB 1.700 70.448 68.868 -0.201 0.000 0.939 970 T HN 0.033 nan 8.240 nan 0.000 0.439 971 S N 1.830 117.559 115.700 0.049 0.000 2.501 971 S HA 0.089 4.566 4.470 0.013 0.000 0.220 971 S C 0.251 174.949 174.600 0.163 0.000 0.997 971 S CA 0.280 58.597 58.200 0.195 0.000 0.919 971 S CB -0.203 63.212 63.200 0.358 0.000 0.778 971 S HN 0.734 nan 8.310 nan 0.000 0.523 972 H N 0.610 119.731 119.070 0.086 0.000 2.679 972 H HA 0.503 5.067 4.556 0.013 0.000 0.360 972 H C 0.863 176.197 175.328 0.010 0.000 1.105 972 H CA -0.731 55.419 56.048 0.171 0.000 1.196 972 H CB 1.542 31.427 29.762 0.205 0.000 1.636 972 H HN 0.163 nan 8.280 nan 0.000 0.531 973 R N 1.960 122.577 120.500 0.195 0.000 2.193 973 R HA -0.153 4.194 4.340 0.013 0.000 0.229 973 R C 1.199 177.515 176.300 0.028 0.000 1.110 973 R CA 1.691 57.828 56.100 0.062 0.000 0.988 973 R CB -0.360 30.017 30.300 0.127 0.000 0.871 973 R HN 0.770 nan 8.270 nan 0.000 0.458 974 H N 1.180 120.275 119.070 0.042 0.000 2.491 974 H HA 0.013 4.577 4.556 0.013 0.000 0.290 974 H C 1.490 176.750 175.328 -0.113 0.000 1.050 974 H CA 0.856 56.884 56.048 -0.033 0.000 1.309 974 H CB -0.120 29.621 29.762 -0.036 0.000 1.392 974 H HN 0.318 nan 8.280 nan 0.000 0.554 975 L N 1.056 121.858 121.223 -0.702 0.000 2.558 975 L HA 0.174 4.522 4.340 0.013 0.000 0.225 975 L C 0.717 177.439 176.870 -0.247 0.000 1.128 975 L CA -0.124 54.395 54.840 -0.536 0.000 0.868 975 L CB -0.029 41.696 42.059 -0.557 0.000 1.006 975 L HN 0.058 nan 8.230 nan 0.000 0.454 976 L N 1.184 122.265 121.223 -0.236 0.000 2.456 976 L HA 0.050 4.398 4.340 0.013 0.000 0.272 976 L C 0.396 177.267 176.870 0.001 0.000 1.189 976 L CA 0.130 54.821 54.840 -0.249 0.000 0.846 976 L CB 0.131 41.825 42.059 -0.608 0.000 1.111 976 L HN 0.221 nan 8.230 nan 0.000 0.475 977 H N 1.690 120.802 119.070 0.070 0.000 2.529 977 H HA 0.629 5.193 4.556 0.013 0.000 0.348 977 H C -0.711 174.721 175.328 0.174 0.000 1.079 977 H CA -1.231 54.873 56.048 0.095 0.000 1.198 977 H CB 1.298 31.073 29.762 0.021 0.000 1.521 977 H HN 0.689 nan 8.280 nan 0.000 0.514 978 A N 3.877 126.815 122.820 0.196 0.000 2.477 978 A HA 0.103 4.431 4.320 0.013 0.000 0.246 978 A C 0.348 177.966 177.584 0.057 0.000 1.078 978 A CA -0.263 51.726 52.037 -0.080 0.000 0.770 978 A CB 0.095 19.008 19.000 -0.145 0.000 1.011 978 A HN 0.879 nan 8.150 nan 0.000 0.494 979 E N 0.791 121.009 120.200 0.030 0.000 2.322 979 E HA 0.210 4.567 4.350 0.013 0.000 0.257 979 E C -0.081 176.559 176.600 0.065 0.000 1.155 979 E CA -0.668 55.822 56.400 0.151 0.000 0.936 979 E CB 0.756 30.632 29.700 0.293 0.000 1.130 979 E HN 0.786 nan 8.360 nan 0.000 0.465 980 E N 0.163 120.400 120.200 0.062 0.000 2.383 980 E HA 0.229 4.587 4.350 0.013 0.000 0.264 980 E C 0.212 176.783 176.600 -0.048 0.000 1.050 980 E CA 0.483 56.883 56.400 0.001 0.000 0.896 980 E CB 0.525 30.224 29.700 -0.003 0.000 0.982 980 E HN 0.673 nan 8.360 nan 0.000 0.424 981 G N 2.409 111.176 108.800 -0.054 0.000 2.804 981 G HA2 -0.226 3.742 3.960 0.013 0.000 0.230 981 G HA3 -0.226 3.742 3.960 0.013 0.000 0.230 981 G C -0.624 174.219 174.900 -0.095 0.000 1.386 981 G CA -0.184 44.865 45.100 -0.085 0.000 0.875 981 G HN 0.570 nan 8.290 nan 0.000 0.557 982 T N 0.313 114.794 114.554 -0.121 0.000 2.812 982 T HA 0.491 4.848 4.350 0.013 0.000 0.282 982 T C -0.502 174.056 174.700 -0.237 0.000 0.990 982 T CA -0.139 61.893 62.100 -0.112 0.000 0.960 982 T CB 1.253 70.108 68.868 -0.023 0.000 0.948 982 T HN 0.547 nan 8.240 nan 0.000 0.438 983 W N 3.250 124.459 121.300 -0.153 0.000 2.345 983 W HA 0.537 5.205 4.660 0.013 0.000 0.308 983 W C -0.200 176.184 176.519 -0.224 0.000 1.273 983 W CA -0.636 56.614 57.345 -0.158 0.000 1.243 983 W CB 0.567 29.950 29.460 -0.129 0.000 1.260 983 W HN 0.381 nan 8.180 nan 0.000 0.509 984 L N 6.082 127.282 121.223 -0.039 0.000 2.305 984 L HA 0.467 4.815 4.340 0.013 0.000 0.284 984 L C -0.831 175.925 176.870 -0.190 0.000 1.013 984 L CA -0.318 54.382 54.840 -0.234 0.000 0.819 984 L CB 0.616 42.374 42.059 -0.503 0.000 1.227 984 L HN 0.308 nan 8.230 nan 0.000 0.417 985 N N 7.069 125.647 118.700 -0.203 0.000 2.443 985 N HA 0.453 5.201 4.740 0.013 0.000 0.269 985 N C -1.174 174.172 175.510 -0.273 0.000 0.985 985 N CA -0.291 52.638 53.050 -0.202 0.000 0.921 985 N CB 2.311 40.711 38.487 -0.145 0.000 1.195 985 N HN 0.513 nan 8.380 nan 0.000 0.492 986 I N 1.957 122.314 120.570 -0.355 0.000 2.389 986 I HA 0.255 4.433 4.170 0.013 0.000 0.288 986 I C -0.753 175.146 176.117 -0.363 0.000 0.999 986 I CA -0.512 60.525 61.300 -0.439 0.000 1.129 986 I CB 1.716 39.272 38.000 -0.740 0.000 1.288 986 I HN 0.214 nan 8.210 nan 0.000 0.444 987 D N 4.280 124.512 120.400 -0.280 0.000 2.350 987 D HA 0.325 4.973 4.640 0.013 0.000 0.245 987 D C 0.850 176.851 176.300 -0.499 0.000 1.036 987 D CA -0.292 53.486 54.000 -0.371 0.000 0.848 987 D CB 2.522 43.191 40.800 -0.218 0.000 1.307 987 D HN 0.688 nan 8.370 nan 0.000 0.469 988 G N 0.578 108.811 108.800 -0.945 0.000 2.453 988 G HA2 0.060 4.028 3.960 0.013 0.000 0.215 988 G HA3 0.060 4.028 3.960 0.013 0.000 0.215 988 G C 0.030 174.223 174.900 -1.179 0.000 1.147 988 G CA 0.444 44.860 45.100 -1.141 0.000 0.802 988 G HN 0.345 nan 8.290 nan 0.000 0.535 989 F N -1.760 117.963 119.950 -0.378 0.000 2.608 989 F HA 0.580 5.115 4.527 0.013 0.000 0.309 989 F C -0.641 175.031 175.800 -0.213 0.000 1.103 989 F CA -1.270 56.584 58.000 -0.242 0.000 0.954 989 F CB 2.024 40.794 39.000 -0.383 0.000 1.267 989 F HN 0.037 nan 8.300 nan 0.000 0.444 990 H N 2.076 121.125 119.070 -0.035 0.000 2.856 990 H HA 0.513 5.077 4.556 0.013 0.000 0.355 990 H C -0.728 174.607 175.328 0.013 0.000 1.079 990 H CA -0.871 55.139 56.048 -0.063 0.000 1.240 990 H CB 1.745 31.463 29.762 -0.073 0.000 1.701 990 H HN 0.796 nan 8.280 nan 0.000 0.527 991 M N 3.610 123.139 119.600 -0.119 0.000 2.252 991 M HA 0.219 4.706 4.480 0.013 0.000 0.333 991 M C 0.536 176.949 176.300 0.187 0.000 1.111 991 M CA 0.586 55.896 55.300 0.018 0.000 1.140 991 M CB 0.285 32.791 32.600 -0.157 0.000 1.538 991 M HN 0.851 nan 8.290 nan 0.000 0.448 992 G N 3.119 112.005 108.800 0.144 0.000 2.699 992 G HA2 0.258 4.226 3.960 0.013 0.000 0.246 992 G HA3 0.258 4.226 3.960 0.013 0.000 0.246 992 G C 0.667 175.552 174.900 -0.026 0.000 1.219 992 G CA -0.300 44.820 45.100 0.034 0.000 0.866 992 G HN 0.991 nan 8.290 nan 0.000 0.572 993 I N -1.482 119.011 120.570 -0.128 0.000 3.228 993 I HA 0.386 4.564 4.170 0.013 0.000 0.279 993 I C 1.207 177.265 176.117 -0.098 0.000 1.221 993 I CA 0.541 61.729 61.300 -0.187 0.000 1.458 993 I CB -0.638 37.127 38.000 -0.392 0.000 1.105 993 I HN 0.949 nan 8.210 nan 0.000 0.445 994 G N 1.265 110.029 108.800 -0.060 0.000 2.698 994 G HA2 0.061 4.029 3.960 0.013 0.000 0.233 994 G HA3 0.061 4.029 3.960 0.013 0.000 0.233 994 G C 0.511 175.412 174.900 0.003 0.000 1.352 994 G CA -0.026 45.077 45.100 0.005 0.000 0.879 994 G HN 1.361 nan 8.290 nan 0.000 0.567 995 G N -2.284 106.532 108.800 0.027 0.000 2.559 995 G HA2 0.007 3.974 3.960 0.013 0.000 0.202 995 G HA3 0.007 3.974 3.960 0.013 0.000 0.202 995 G C 0.669 175.627 174.900 0.096 0.000 0.992 995 G CA 0.922 46.047 45.100 0.042 0.000 0.764 995 G HN 0.988 nan 8.290 nan 0.000 0.525 996 D N 1.228 121.705 120.400 0.127 0.000 2.203 996 D HA 0.073 4.721 4.640 0.013 0.000 0.199 996 D C 0.997 177.343 176.300 0.077 0.000 0.997 996 D CA 2.154 56.292 54.000 0.229 0.000 0.863 996 D CB 0.129 41.066 40.800 0.228 0.000 0.928 996 D HN 0.829 nan 8.370 nan 0.000 0.458 997 D N -3.581 116.670 120.400 -0.249 0.000 2.639 997 D HA 0.295 4.943 4.640 0.013 0.000 0.271 997 D C -0.837 175.008 176.300 -0.757 0.000 1.254 997 D CA -0.723 52.723 54.000 -0.925 0.000 0.810 997 D CB 0.857 40.581 40.800 -1.793 0.000 1.351 997 D HN -0.305 nan 8.370 nan 0.000 0.427 998 S N -0.341 114.805 115.700 -0.924 0.000 2.651 998 S HA 0.253 4.730 4.470 0.013 0.000 0.246 998 S C -0.605 174.031 174.600 0.061 0.000 1.039 998 S CA -0.651 57.449 58.200 -0.167 0.000 1.013 998 S CB -0.486 62.847 63.200 0.222 0.000 0.861 998 S HN 0.608 nan 8.310 nan 0.000 0.485 999 W N 0.919 122.159 121.300 -0.099 0.000 2.036 999 W HA 0.534 5.201 4.660 0.012 0.000 0.298 999 W C -0.090 176.376 176.519 -0.088 0.000 0.885 999 W CA -0.589 56.686 57.345 -0.116 0.000 1.488 999 W CB -0.471 28.873 29.460 -0.194 0.000 1.079 999 W HN 0.161 nan 8.180 nan 0.000 0.506 1000 S N -1.023 114.585 115.700 -0.154 0.000 2.547 1000 S HA 0.589 5.066 4.470 0.013 0.000 0.270 1000 S C -3.105 171.427 174.600 -0.115 0.000 1.150 1000 S CA -1.615 56.522 58.200 -0.105 0.000 0.850 1000 S CB 1.572 64.718 63.200 -0.091 0.000 1.118 1000 S HN -0.205 nan 8.310 nan 0.000 0.461 1001 P HA 0.183 nan 4.420 nan 0.000 0.262 1001 P C 0.435 177.753 177.300 0.029 0.000 1.182 1001 P CA 0.022 63.096 63.100 -0.043 0.000 0.761 1001 P CB 0.546 32.083 31.700 -0.272 0.000 0.795 1002 S N 0.544 116.312 115.700 0.113 0.000 2.847 1002 S HA 0.155 4.633 4.470 0.013 0.000 0.254 1002 S C 0.157 174.844 174.600 0.145 0.000 1.039 1002 S CA -0.328 57.919 58.200 0.078 0.000 1.113 1002 S CB -0.264 62.934 63.200 -0.003 0.000 1.092 1002 S HN 0.120 nan 8.310 nan 0.000 0.620 1003 V N 2.743 122.800 119.914 0.239 0.000 2.488 1003 V HA 0.416 4.544 4.120 0.013 0.000 0.277 1003 V C 0.804 177.060 176.094 0.270 0.000 1.046 1003 V CA -0.391 62.042 62.300 0.222 0.000 0.986 1003 V CB 1.126 33.046 31.823 0.161 0.000 0.989 1003 V HN 0.499 nan 8.190 nan 0.000 0.475 1004 S N 3.841 119.708 115.700 0.279 0.000 2.558 1004 S HA 0.254 4.732 4.470 0.013 0.000 0.288 1004 S C 1.564 176.314 174.600 0.249 0.000 1.318 1004 S CA 0.107 58.468 58.200 0.269 0.000 1.056 1004 S CB 1.008 64.389 63.200 0.301 0.000 0.853 1004 S HN 1.018 nan 8.310 nan 0.000 0.505 1005 A N 3.965 126.885 122.820 0.167 0.000 1.915 1005 A HA -0.193 4.135 4.320 0.013 0.000 0.220 1005 A C 2.018 179.642 177.584 0.067 0.000 1.198 1005 A CA 2.054 54.172 52.037 0.135 0.000 0.647 1005 A CB -0.791 18.259 19.000 0.084 0.000 0.825 1005 A HN 0.976 nan 8.150 nan 0.000 0.456 1006 E N -0.945 119.240 120.200 -0.024 0.000 2.472 1006 E HA -0.124 4.234 4.350 0.013 0.000 0.200 1006 E C 0.642 177.067 176.600 -0.291 0.000 1.046 1006 E CA 0.796 57.076 56.400 -0.199 0.000 0.871 1006 E CB -0.413 29.089 29.700 -0.329 0.000 0.806 1006 E HN 0.682 nan 8.360 nan 0.000 0.533 1007 F N 0.990 120.992 119.950 0.088 0.000 2.654 1007 F HA 0.286 4.820 4.527 0.013 0.000 0.303 1007 F C 0.758 176.597 175.800 0.066 0.000 1.099 1007 F CA -0.520 57.532 58.000 0.087 0.000 1.270 1007 F CB 0.624 39.678 39.000 0.090 0.000 1.024 1007 F HN -0.197 nan 8.300 nan 0.000 0.548 1008 Q N 1.395 121.308 119.800 0.188 0.000 2.243 1008 Q HA 0.394 4.742 4.340 0.013 0.000 0.252 1008 Q C -0.161 175.851 176.000 0.021 0.000 0.909 1008 Q CA -0.504 55.372 55.803 0.122 0.000 0.922 1008 Q CB 1.968 30.847 28.738 0.236 0.000 1.215 1008 Q HN 0.268 nan 8.270 nan 0.000 0.427 1009 L N 2.668 123.890 121.223 -0.003 0.000 2.384 1009 L HA 0.083 4.431 4.340 0.013 0.000 0.258 1009 L C 0.641 177.470 176.870 -0.069 0.000 1.266 1009 L CA 0.003 54.843 54.840 -0.001 0.000 1.162 1009 L CB -0.440 41.526 42.059 -0.154 0.000 1.375 1009 L HN 0.668 nan 8.230 nan 0.000 0.420 1010 S N -1.183 114.382 115.700 -0.225 0.000 2.578 1010 S HA 0.159 4.637 4.470 0.013 0.000 0.231 1010 S C 1.638 176.181 174.600 -0.094 0.000 0.994 1010 S CA 0.150 58.091 58.200 -0.432 0.000 0.956 1010 S CB 0.778 63.546 63.200 -0.721 0.000 0.870 1010 S HN 0.520 nan 8.310 nan 0.000 0.494 1011 A N 1.535 124.310 122.820 -0.073 0.000 2.121 1011 A HA 0.442 4.770 4.320 0.013 0.000 0.218 1011 A C 2.069 179.505 177.584 -0.248 0.000 1.154 1011 A CA 1.293 53.164 52.037 -0.276 0.000 0.679 1011 A CB -1.174 17.462 19.000 -0.607 0.000 0.795 1011 A HN 1.434 nan 8.150 nan 0.000 0.458 1012 G N -1.362 107.377 108.800 -0.103 0.000 2.729 1012 G HA2 -0.268 3.700 3.960 0.013 0.000 0.216 1012 G HA3 -0.268 3.700 3.960 0.013 0.000 0.216 1012 G C 0.379 175.260 174.900 -0.032 0.000 1.252 1012 G CA 0.241 45.334 45.100 -0.012 0.000 0.751 1012 G HN 0.719 nan 8.290 nan 0.000 0.527 1013 R N -0.579 119.775 120.500 -0.242 0.000 2.575 1013 R HA 0.694 5.041 4.340 0.013 0.000 0.293 1013 R C -1.649 174.384 176.300 -0.445 0.000 0.983 1013 R CA -0.614 55.391 56.100 -0.159 0.000 0.887 1013 R CB 1.716 31.970 30.300 -0.076 0.000 1.184 1013 R HN 0.255 nan 8.270 nan 0.000 0.445 1014 Y N 0.313 120.589 120.300 -0.041 0.000 2.477 1014 Y HA 0.325 4.883 4.550 0.013 0.000 0.347 1014 Y C -0.441 175.550 175.900 0.153 0.000 0.981 1014 Y CA -0.862 57.144 58.100 -0.156 0.000 1.033 1014 Y CB 2.162 40.352 38.460 -0.450 0.000 1.245 1014 Y HN 0.573 nan 8.280 nan 0.000 0.455 1015 H N 3.213 122.496 119.070 0.356 0.000 2.529 1015 H HA 0.589 5.153 4.556 0.013 0.000 0.348 1015 H C -1.698 173.976 175.328 0.576 0.000 1.079 1015 H CA -1.018 55.239 56.048 0.350 0.000 1.198 1015 H CB 0.982 30.876 29.762 0.221 0.000 1.521 1015 H HN 0.557 nan 8.280 nan 0.000 0.514 1016 Y N 1.881 121.631 120.300 -0.916 0.000 2.624 1016 Y HA 0.434 4.992 4.550 0.013 0.000 0.334 1016 Y C -2.200 173.469 175.900 -0.385 0.000 1.155 1016 Y CA -1.085 56.772 58.100 -0.405 0.000 1.046 1016 Y CB 1.206 39.667 38.460 0.001 0.000 1.316 1016 Y HN 0.743 nan 8.280 nan 0.000 0.457 1017 Q N 3.352 123.173 119.800 0.035 0.000 2.309 1017 Q HA 0.808 5.156 4.340 0.013 0.000 0.273 1017 Q C -2.218 173.903 176.000 0.202 0.000 1.040 1017 Q CA -1.032 54.809 55.803 0.063 0.000 0.834 1017 Q CB 3.199 32.000 28.738 0.105 0.000 1.345 1017 Q HN 0.852 nan 8.270 nan 0.000 0.414 1018 L N 0.727 122.060 121.223 0.183 0.000 2.359 1018 L HA 0.762 5.109 4.340 0.013 0.000 0.256 1018 L C -0.887 176.124 176.870 0.235 0.000 1.026 1018 L CA -1.258 53.730 54.840 0.247 0.000 0.828 1018 L CB 2.553 44.749 42.059 0.229 0.000 1.406 1018 L HN 0.473 nan 8.230 nan 0.000 0.413 1019 V N 0.186 120.263 119.914 0.270 0.000 2.459 1019 V HA 0.429 4.556 4.120 0.013 0.000 0.295 1019 V C -1.368 174.927 176.094 0.334 0.000 1.029 1019 V CA -0.396 62.063 62.300 0.265 0.000 0.874 1019 V CB 2.001 33.946 31.823 0.204 0.000 0.985 1019 V HN 0.623 nan 8.190 nan 0.000 0.438 1020 W N 6.772 128.148 121.300 0.127 0.000 2.475 1020 W HA 0.709 5.377 4.660 0.013 0.000 0.320 1020 W C -0.417 176.130 176.519 0.045 0.000 1.022 1020 W CA -1.245 56.117 57.345 0.028 0.000 1.240 1020 W CB 1.421 30.958 29.460 0.129 0.000 1.328 1020 W HN 0.881 nan 8.180 nan 0.000 0.439 1021 C N 3.888 123.433 119.300 0.408 0.000 3.236 1021 C HA 0.807 5.275 4.460 0.013 0.000 0.312 1021 C C -0.586 174.518 174.990 0.189 0.000 1.374 1021 C CA -0.889 58.291 59.018 0.270 0.000 1.455 1021 C CB 1.636 29.480 27.740 0.174 0.000 1.834 1021 C HN 0.648 nan 8.230 nan 0.000 0.460 1022 Q N 1.975 121.841 119.800 0.111 0.000 2.394 1022 Q HA 0.737 5.085 4.340 0.013 0.000 0.259 1022 Q C -0.449 175.555 176.000 0.007 0.000 1.021 1022 Q CA 0.319 56.131 55.803 0.014 0.000 0.805 1022 Q CB 0.273 28.977 28.738 -0.057 0.000 1.226 1022 Q HN 0.869 nan 8.270 nan 0.000 0.476 1023 K N 0.000 120.394 120.400 -0.010 0.000 2.780 1023 K HA 0.000 4.328 4.320 0.013 0.000 0.191 1023 K CA 0.000 56.286 56.287 -0.002 0.000 0.838 1023 K CB 0.000 32.501 32.500 0.001 0.000 1.064 1023 K HN 0.000 nan 8.250 nan 0.000 0.543