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 1jyz_1_I DATA FIRST_RESID 3 DATA SEQUENCE ITDSLAVVLQ RRDWENPGVT QLNRLAAHPP FASWRNSEEA RTDRPSQQLR DATA SEQUENCE SLNGEWRFAW FPAPEAVPES WLECDLPEAD TVVVPSNWQM HGYDAPIYTN DATA SEQUENCE VTYPITVNPP FVPTENPTGC YSLTFNVDES WLQEGQTRII FDGVNSAFHL DATA SEQUENCE WCNGRWVGYG QDSRLPSEFD LSAFLRAGEN RLAVMVLRWS DGSYLEDQDM DATA SEQUENCE WRMSGIFRDV SLLHKPTTQI SDFHVATRFN DDFSRAVLEA EVQMCGELRD DATA SEQUENCE YLRVTVSLWQ GETQVASGTA PFGGEIIDER GGYADRVTLR LNVENPKLWS DATA SEQUENCE AEIPNLYRAV VELHTADGTL IEAEACDVGF REVRIENGLL LLNGKPLLIR DATA SEQUENCE GVNRHEHHPL HGQVMDEQTM VQDILLMKQN NFNAVRCSHY PNHPLWYTLC DATA SEQUENCE DRYGLYVVDE ANIETHGMVP MNRLTDDPRW LPAMSERVTR MVQRDRNHPS DATA SEQUENCE VIIWSLGNES GHGANHDALY RWIKSVDPSR PVQYEGGGAD TTATDIICPM DATA SEQUENCE YARVDEDQPF PAVPKWSIKK WLSLPGETRP LILCEYAHAM GNSLGGFAKY DATA SEQUENCE WQAFRQYPRL QGGFVWDWVD QSLIKYDENG NPWSAYGGDF GDTPNDRQFC DATA SEQUENCE MNGLVFADRT PHPALTEAKH QQQFFQFRLS GQTIEVTSEY LFRHSDNELL DATA SEQUENCE HWMVALDGKP LASGEVPLDV APQGKQLIEL PELPQPESAG QLWLTVRVVQ DATA SEQUENCE PNATAWSEAG HISAWQQWRL AENLSVTLPA ASHAIPHLTT SEMDFXIELG DATA SEQUENCE NKRWQFNRQS GFLSQMWIGD KKQLLTPLRD QFTRAPLDND IGVSEATRID DATA SEQUENCE PNAWVERWKA AGHYQAEAAL LQCTADTLAD AVLITTAHAW QHQGKTLFIS DATA SEQUENCE RKTYRIDGSG QMAITVDVEV ASDTPHPARI GLNCQLAQVA ERVNWLGLGP DATA SEQUENCE QENYPDRLTA AXFDRWDLPL SDMYTPYVFP SENGLRCGTR ELNYGPHQWR DATA SEQUENCE GDFQFNISRY SQQQLMETSH RHLLHAEEGT WLNIDGFHMG IGGDDSWSPS DATA SEQUENCE VSAEFQLSAG RYHYQLVWXQ K VARS RESID RESNAME ATOMNAME SS_SHIFT SHIFT RC_SHIFT HM_SHIFT EF_SHIFT SIGMA FORMAT %4d %4s %4s %9.3f %9.3f %9.3f %9.3f %9.3f %9.3f 3 I HA 0.000 nan 4.170 nan 0.000 0.288 3 I C 0.000 176.147 176.117 0.049 0.000 1.063 3 I CA 0.000 61.327 61.300 0.045 0.000 1.566 3 I CB 0.000 38.019 38.000 0.031 0.000 1.214 4 T N -1.832 112.759 114.554 0.061 0.000 3.113 4 T HA 0.152 4.502 4.350 -0.000 0.000 0.256 4 T C 0.807 175.557 174.700 0.083 0.000 1.131 4 T CA 1.210 63.336 62.100 0.044 0.000 1.074 4 T CB -0.563 68.329 68.868 0.040 0.000 0.944 4 T HN 0.342 nan 8.240 nan 0.000 0.516 5 D N 2.293 122.795 120.400 0.169 0.000 2.340 5 D HA 0.103 4.743 4.640 -0.000 0.000 0.220 5 D C 0.829 177.329 176.300 0.333 0.000 1.039 5 D CA 0.077 54.284 54.000 0.345 0.000 0.866 5 D CB 0.019 41.062 40.800 0.406 0.000 0.913 5 D HN 0.570 nan 8.370 nan 0.000 0.523 6 S N 0.128 115.916 115.700 0.147 0.000 2.548 6 S HA 0.086 4.556 4.470 -0.000 0.000 0.277 6 S C 1.344 175.992 174.600 0.081 0.000 1.315 6 S CA -0.688 57.558 58.200 0.076 0.000 1.050 6 S CB 1.188 64.405 63.200 0.028 0.000 0.918 6 S HN -0.122 nan 8.310 nan 0.000 0.497 7 L N 4.062 125.311 121.223 0.042 0.000 1.997 7 L HA -0.142 4.198 4.340 -0.000 0.000 0.216 7 L C 3.033 179.919 176.870 0.027 0.000 1.074 7 L CA 2.631 57.501 54.840 0.050 0.000 0.763 7 L CB -1.801 40.245 42.059 -0.021 0.000 0.890 7 L HN 1.000 nan 8.230 nan 0.000 0.434 8 A N -1.439 121.385 122.820 0.008 0.000 1.971 8 A HA -0.255 4.065 4.320 -0.000 0.000 0.222 8 A C 2.527 180.109 177.584 -0.002 0.000 1.182 8 A CA 2.510 54.550 52.037 0.005 0.000 0.649 8 A CB -1.101 17.898 19.000 -0.001 0.000 0.818 8 A HN 0.283 nan 8.150 nan 0.000 0.458 9 V N -1.016 118.890 119.914 -0.014 0.000 2.331 9 V HA -0.132 3.988 4.120 -0.000 0.000 0.242 9 V C 2.526 178.560 176.094 -0.101 0.000 1.034 9 V CA 1.664 63.937 62.300 -0.046 0.000 1.027 9 V CB -0.182 31.618 31.823 -0.039 0.000 0.667 9 V HN 0.352 nan 8.190 nan 0.000 0.457 10 V N 0.842 120.671 119.914 -0.142 0.000 2.231 10 V HA -0.300 3.820 4.120 -0.000 0.000 0.248 10 V C 2.268 178.258 176.094 -0.174 0.000 1.054 10 V CA 2.408 64.518 62.300 -0.316 0.000 1.015 10 V CB -0.773 30.811 31.823 -0.399 0.000 0.638 10 V HN 0.498 nan 8.190 nan 0.000 0.444 11 L N 0.264 121.477 121.223 -0.017 0.000 2.633 11 L HA -0.155 4.185 4.340 -0.000 0.000 0.235 11 L C 2.451 179.401 176.870 0.133 0.000 1.163 11 L CA 0.923 55.886 54.840 0.206 0.000 0.859 11 L CB -0.840 41.373 42.059 0.257 0.000 0.973 11 L HN 0.424 nan 8.230 nan 0.000 0.451 12 Q N 2.216 122.019 119.800 0.006 0.000 2.030 12 Q HA -0.219 4.121 4.340 -0.000 0.000 0.204 12 Q C 2.241 178.189 176.000 -0.085 0.000 0.986 12 Q CA 2.100 57.887 55.803 -0.028 0.000 0.843 12 Q CB -0.111 28.596 28.738 -0.051 0.000 0.904 12 Q HN 0.567 nan 8.270 nan 0.000 0.420 13 R N -0.264 120.161 120.500 -0.124 0.000 2.120 13 R HA 0.057 4.397 4.340 -0.000 0.000 0.234 13 R C 0.323 176.431 176.300 -0.320 0.000 1.123 13 R CA 0.909 56.899 56.100 -0.183 0.000 0.975 13 R CB -0.455 29.743 30.300 -0.170 0.000 0.866 13 R HN 0.107 nan 8.270 nan 0.000 0.446 14 R N 0.999 121.208 120.500 -0.486 0.000 3.209 14 R HA -0.141 4.199 4.340 -0.000 0.000 0.252 14 R C -0.557 175.217 176.300 -0.876 0.000 0.958 14 R CA 0.516 55.841 56.100 -1.292 0.000 0.651 14 R CB -1.477 28.208 30.300 -1.024 0.000 1.142 14 R HN 0.490 nan 8.270 nan 0.000 0.441 15 D N -0.185 119.925 120.400 -0.484 0.000 2.218 15 D HA -0.191 4.449 4.640 -0.000 0.000 0.204 15 D C 1.609 177.855 176.300 -0.089 0.000 0.976 15 D CA 1.843 55.640 54.000 -0.339 0.000 0.853 15 D CB -0.120 40.269 40.800 -0.685 0.000 0.939 15 D HN 0.735 nan 8.370 nan 0.000 0.481 16 W N 1.736 123.061 121.300 0.042 0.000 3.096 16 W HA 0.114 4.774 4.660 -0.000 0.000 0.241 16 W C 0.491 177.124 176.519 0.189 0.000 1.316 16 W CA -0.110 57.370 57.345 0.224 0.000 1.520 16 W CB -0.197 29.423 29.460 0.266 0.000 1.128 16 W HN -0.176 nan 8.180 nan 0.000 0.707 17 E N 0.940 120.971 120.200 -0.281 0.000 2.995 17 E HA 0.058 4.408 4.350 -0.000 0.000 0.203 17 E C -0.829 175.662 176.600 -0.182 0.000 0.980 17 E CA -0.228 56.081 56.400 -0.152 0.000 1.172 17 E CB -0.172 29.463 29.700 -0.109 0.000 1.088 17 E HN 0.109 nan 8.360 nan 0.000 0.463 18 N N 1.211 119.824 118.700 -0.144 0.000 2.594 18 N HA 0.135 4.875 4.740 -0.000 0.000 0.280 18 N C -2.253 173.143 175.510 -0.191 0.000 1.156 18 N CA -1.868 51.065 53.050 -0.196 0.000 0.831 18 N CB 1.462 39.839 38.487 -0.184 0.000 1.379 18 N HN -0.234 nan 8.380 nan 0.000 0.536 19 P HA -0.043 nan 4.420 nan 0.000 0.220 19 P C 1.175 178.253 177.300 -0.370 0.000 1.144 19 P CA 1.046 63.832 63.100 -0.522 0.000 0.800 19 P CB 0.135 31.101 31.700 -1.223 0.000 0.772 20 G N -0.586 108.036 108.800 -0.298 0.000 2.484 20 G HA2 0.002 3.962 3.960 -0.000 0.000 0.218 20 G HA3 0.002 3.962 3.960 -0.000 0.000 0.218 20 G C 0.349 175.181 174.900 -0.113 0.000 1.130 20 G CA 0.211 45.188 45.100 -0.204 0.000 0.784 20 G HN 0.238 nan 8.290 nan 0.000 0.543 21 V N 1.129 120.998 119.914 -0.075 0.000 2.378 21 V HA 0.420 4.540 4.120 -0.000 0.000 0.288 21 V C 0.863 177.023 176.094 0.110 0.000 1.016 21 V CA 0.187 62.500 62.300 0.022 0.000 0.840 21 V CB 1.353 33.192 31.823 0.026 0.000 0.994 21 V HN 0.294 nan 8.190 nan 0.000 0.431 22 T N 0.861 115.465 114.554 0.083 0.000 2.975 22 T HA 0.351 4.701 4.350 -0.000 0.000 0.257 22 T C 0.220 174.927 174.700 0.011 0.000 1.003 22 T CA 0.298 62.432 62.100 0.056 0.000 0.932 22 T CB 0.388 69.254 68.868 -0.004 0.000 1.087 22 T HN 0.725 nan 8.240 nan 0.000 0.512 23 Q N 0.129 119.986 119.800 0.094 0.000 2.756 23 Q HA 0.709 5.049 4.340 -0.000 0.000 0.295 23 Q C -2.473 173.651 176.000 0.207 0.000 0.903 23 Q CA -1.110 54.737 55.803 0.074 0.000 0.768 23 Q CB 0.789 29.508 28.738 -0.031 0.000 1.472 23 Q HN 0.076 nan 8.270 nan 0.000 0.416 24 L N 2.527 123.903 121.223 0.255 0.000 2.528 24 L HA 0.534 4.874 4.340 -0.000 0.000 0.267 24 L C -0.831 176.210 176.870 0.285 0.000 0.961 24 L CA -0.010 55.015 54.840 0.308 0.000 0.866 24 L CB 1.420 43.785 42.059 0.510 0.000 1.248 24 L HN 0.882 nan 8.230 nan 0.000 0.404 25 N N 1.165 119.982 118.700 0.195 0.000 2.753 25 N HA -0.237 4.502 4.740 -0.000 0.000 0.251 25 N C 0.527 176.110 175.510 0.123 0.000 1.097 25 N CA 0.845 54.001 53.050 0.176 0.000 0.786 25 N CB -0.670 37.918 38.487 0.169 0.000 1.137 25 N HN 0.674 nan 8.380 nan 0.000 0.566 26 R N 1.161 121.608 120.500 -0.089 0.000 2.438 26 R HA 0.378 4.718 4.340 -0.000 0.000 0.287 26 R C 0.725 176.844 176.300 -0.301 0.000 1.077 26 R CA -0.363 55.392 56.100 -0.575 0.000 1.034 26 R CB 0.571 30.545 30.300 -0.542 0.000 0.993 26 R HN 0.114 nan 8.270 nan 0.000 0.459 27 L N 2.518 123.552 121.223 -0.315 0.000 2.470 27 L HA 0.318 4.658 4.340 -0.000 0.000 0.243 27 L C 0.655 177.479 176.870 -0.076 0.000 1.227 27 L CA -0.603 54.168 54.840 -0.115 0.000 0.824 27 L CB 0.390 42.422 42.059 -0.046 0.000 1.175 27 L HN 0.742 nan 8.230 nan 0.000 0.503 28 A N 0.363 123.188 122.820 0.008 0.000 2.322 28 A HA 0.608 4.928 4.320 -0.000 0.000 0.269 28 A C 0.140 177.789 177.584 0.109 0.000 1.094 28 A CA -0.222 51.838 52.037 0.038 0.000 0.807 28 A CB 0.522 19.561 19.000 0.066 0.000 1.047 28 A HN 0.753 nan 8.150 nan 0.000 0.487 29 A N 1.190 124.024 122.820 0.023 0.000 2.406 29 A HA 0.652 4.972 4.320 -0.000 0.000 0.243 29 A C 0.155 177.740 177.584 0.001 0.000 1.082 29 A CA 0.739 52.730 52.037 -0.076 0.000 0.786 29 A CB -0.176 18.757 19.000 -0.111 0.000 1.029 29 A HN 2.070 nan 8.150 nan 0.000 0.495 30 H N -2.574 116.428 119.070 -0.114 0.000 2.883 30 H HA 0.541 5.097 4.556 -0.000 0.000 0.266 30 H C -3.422 171.699 175.328 -0.344 0.000 1.446 30 H CA -1.444 54.502 56.048 -0.170 0.000 1.179 30 H CB -0.051 29.640 29.762 -0.119 0.000 1.806 30 H HN 0.425 nan 8.280 nan 0.000 0.467 31 P HA 0.219 nan 4.420 nan 0.000 0.274 31 P C -2.610 174.390 177.300 -0.500 0.000 1.256 31 P CA -1.567 61.309 63.100 -0.373 0.000 0.795 31 P CB -0.412 31.043 31.700 -0.408 0.000 1.038 32 P HA 0.105 nan 4.420 nan 0.000 0.262 32 P C -0.787 176.494 177.300 -0.031 0.000 1.199 32 P CA 0.878 63.869 63.100 -0.180 0.000 0.763 32 P CB -0.204 31.483 31.700 -0.022 0.000 0.790 33 F N 1.421 121.493 119.950 0.202 0.000 2.507 33 F HA 0.598 5.125 4.527 -0.000 0.000 0.327 33 F C 1.202 176.970 175.800 -0.053 0.000 1.068 33 F CA -0.945 57.117 58.000 0.104 0.000 0.965 33 F CB 1.922 40.943 39.000 0.035 0.000 1.192 33 F HN 0.236 nan 8.300 nan 0.000 0.476 34 A N 0.247 123.077 122.820 0.015 0.000 2.263 34 A HA 0.269 4.589 4.320 -0.000 0.000 0.200 34 A C 0.821 178.172 177.584 -0.388 0.000 1.428 34 A CA 0.540 52.314 52.037 -0.438 0.000 1.050 34 A CB -0.069 18.082 19.000 -1.415 0.000 1.226 34 A HN 0.778 nan 8.150 nan 0.000 0.501 35 S N -0.323 115.272 115.700 -0.174 0.000 3.749 35 S HA -0.134 4.336 4.470 -0.000 0.000 0.348 35 S C -0.033 174.537 174.600 -0.049 0.000 1.045 35 S CA 0.381 58.511 58.200 -0.116 0.000 1.051 35 S CB -1.756 61.341 63.200 -0.173 0.000 0.898 35 S HN 0.504 nan 8.310 nan 0.000 0.472 36 W N 0.627 121.931 121.300 0.007 0.000 2.187 36 W HA 0.130 4.790 4.660 -0.000 0.000 0.348 36 W C 1.252 177.769 176.519 -0.003 0.000 1.282 36 W CA -0.193 57.160 57.345 0.013 0.000 1.271 36 W CB 0.126 29.592 29.460 0.011 0.000 1.170 36 W HN 0.260 nan 8.180 nan 0.000 0.583 37 R N 1.435 122.090 120.500 0.259 0.000 2.509 37 R HA 0.074 4.414 4.340 -0.000 0.000 0.300 37 R C -0.060 176.322 176.300 0.138 0.000 0.985 37 R CA -0.135 56.056 56.100 0.151 0.000 1.092 37 R CB -0.433 29.928 30.300 0.102 0.000 1.237 37 R HN 0.358 nan 8.270 nan 0.000 0.546 38 N N -0.256 118.548 118.700 0.173 0.000 2.336 38 N HA 0.005 4.745 4.740 -0.000 0.000 0.290 38 N C 0.509 176.019 175.510 -0.000 0.000 1.058 38 N CA 0.231 53.330 53.050 0.081 0.000 0.865 38 N CB 2.024 40.553 38.487 0.071 0.000 1.581 38 N HN -0.087 nan 8.380 nan 0.000 0.480 39 S N 3.012 118.684 115.700 -0.047 0.000 2.365 39 S HA -0.186 4.284 4.470 -0.000 0.000 0.221 39 S C 1.256 175.707 174.600 -0.248 0.000 1.037 39 S CA 1.337 59.460 58.200 -0.129 0.000 1.060 39 S CB -0.391 62.762 63.200 -0.078 0.000 0.974 39 S HN 0.645 nan 8.310 nan 0.000 0.427 40 E N 1.329 121.412 120.200 -0.196 0.000 2.108 40 E HA -0.192 4.158 4.350 -0.000 0.000 0.203 40 E C 2.163 178.589 176.600 -0.289 0.000 1.022 40 E CA 1.769 58.023 56.400 -0.243 0.000 0.823 40 E CB -0.639 28.970 29.700 -0.151 0.000 0.744 40 E HN 0.778 nan 8.360 nan 0.000 0.456 41 E N 0.169 120.229 120.200 -0.233 0.000 2.023 41 E HA -0.186 4.164 4.350 -0.000 0.000 0.196 41 E C 2.087 178.241 176.600 -0.743 0.000 1.003 41 E CA 1.156 57.416 56.400 -0.233 0.000 0.809 41 E CB -0.207 29.550 29.700 0.095 0.000 0.755 41 E HN 0.250 nan 8.360 nan 0.000 0.449 42 A N 1.621 123.581 122.820 -1.433 0.000 1.917 42 A HA -0.279 4.041 4.320 -0.000 0.000 0.219 42 A C 2.125 179.040 177.584 -1.115 0.000 1.182 42 A CA 2.021 52.654 52.037 -2.340 0.000 0.633 42 A CB -0.644 17.509 19.000 -1.413 0.000 0.819 42 A HN 0.150 nan 8.150 nan 0.000 0.448 43 R N -0.197 119.884 120.500 -0.698 0.000 2.091 43 R HA -0.132 4.208 4.340 -0.000 0.000 0.238 43 R C 1.556 177.603 176.300 -0.422 0.000 1.136 43 R CA 2.089 57.862 56.100 -0.544 0.000 0.959 43 R CB -0.483 29.441 30.300 -0.627 0.000 0.856 43 R HN 0.587 nan 8.270 nan 0.000 0.437 44 T N -2.206 112.133 114.554 -0.358 0.000 3.244 44 T HA 0.106 4.456 4.350 -0.000 0.000 0.254 44 T C -0.003 174.630 174.700 -0.112 0.000 1.024 44 T CA 0.154 62.131 62.100 -0.205 0.000 0.920 44 T CB 0.140 68.912 68.868 -0.160 0.000 1.042 44 T HN 0.308 nan 8.240 nan 0.000 0.572 45 D N 1.656 121.958 120.400 -0.164 0.000 2.686 45 D HA -0.164 4.476 4.640 -0.000 0.000 0.235 45 D C 0.465 176.900 176.300 0.226 0.000 1.160 45 D CA 0.417 54.460 54.000 0.071 0.000 0.645 45 D CB -0.452 40.415 40.800 0.112 0.000 1.039 45 D HN 0.437 nan 8.370 nan 0.000 0.423 46 R N -0.244 120.407 120.500 0.252 0.000 2.811 46 R HA 0.564 4.904 4.340 -0.000 0.000 0.237 46 R C -2.001 174.561 176.300 0.437 0.000 1.231 46 R CA -0.839 55.437 56.100 0.294 0.000 1.070 46 R CB -0.751 29.687 30.300 0.229 0.000 1.126 46 R HN 0.174 nan 8.270 nan 0.000 0.540 47 P HA 0.198 nan 4.420 nan 0.000 0.304 47 P C -1.005 176.341 177.300 0.076 0.000 1.365 47 P CA -0.488 62.710 63.100 0.164 0.000 0.935 47 P CB 1.804 33.569 31.700 0.109 0.000 1.091 48 S N 1.955 117.553 115.700 -0.169 0.000 2.554 48 S HA 0.139 4.609 4.470 -0.000 0.000 0.278 48 S C 1.094 175.658 174.600 -0.061 0.000 1.242 48 S CA -0.433 57.618 58.200 -0.249 0.000 1.051 48 S CB 0.597 63.391 63.200 -0.676 0.000 0.986 48 S HN 0.336 nan 8.310 nan 0.000 0.502 49 Q N 2.734 122.552 119.800 0.030 0.000 2.425 49 Q HA 0.011 4.351 4.340 -0.000 0.000 0.204 49 Q C 0.793 176.942 176.000 0.248 0.000 0.933 49 Q CA 0.315 56.197 55.803 0.132 0.000 0.939 49 Q CB -0.325 28.504 28.738 0.152 0.000 1.044 49 Q HN 0.861 nan 8.270 nan 0.000 0.513 50 Q N 0.435 120.302 119.800 0.111 0.000 2.444 50 Q HA 0.165 4.505 4.340 -0.000 0.000 0.206 50 Q C -0.017 176.039 176.000 0.094 0.000 0.948 50 Q CA 0.040 55.891 55.803 0.081 0.000 0.946 50 Q CB -0.036 28.643 28.738 -0.099 0.000 1.027 50 Q HN 0.163 nan 8.270 nan 0.000 0.513 51 L N 1.240 122.529 121.223 0.110 0.000 2.325 51 L HA 0.472 4.812 4.340 -0.000 0.000 0.281 51 L C -1.056 175.900 176.870 0.144 0.000 1.004 51 L CA -0.464 54.430 54.840 0.091 0.000 0.823 51 L CB 1.443 43.480 42.059 -0.036 0.000 1.236 51 L HN -0.082 nan 8.230 nan 0.000 0.415 52 R N 2.642 123.245 120.500 0.172 0.000 2.575 52 R HA 0.443 4.783 4.340 -0.000 0.000 0.293 52 R C -1.015 175.319 176.300 0.058 0.000 0.983 52 R CA -0.482 55.685 56.100 0.113 0.000 0.887 52 R CB 2.220 32.593 30.300 0.120 0.000 1.184 52 R HN 0.709 nan 8.270 nan 0.000 0.445 53 S N 3.234 118.959 115.700 0.042 0.000 2.562 53 S HA 0.303 4.773 4.470 -0.000 0.000 0.275 53 S C 0.871 175.496 174.600 0.042 0.000 1.281 53 S CA -0.512 57.712 58.200 0.040 0.000 1.045 53 S CB 0.583 63.814 63.200 0.053 0.000 0.962 53 S HN 0.584 nan 8.310 nan 0.000 0.503 54 L N 3.413 124.679 121.223 0.071 0.000 2.857 54 L HA 0.287 4.627 4.340 -0.000 0.000 0.249 54 L C 0.032 177.122 176.870 0.367 0.000 1.172 54 L CA -0.320 54.600 54.840 0.135 0.000 0.980 54 L CB -0.465 41.655 42.059 0.102 0.000 1.299 54 L HN 0.530 nan 8.230 nan 0.000 0.535 55 N N 1.654 120.491 118.700 0.229 0.000 2.518 55 N HA 0.493 5.233 4.740 -0.000 0.000 0.266 55 N C 0.657 176.326 175.510 0.264 0.000 1.196 55 N CA 0.737 53.923 53.050 0.228 0.000 0.947 55 N CB 1.774 40.316 38.487 0.093 0.000 1.098 55 N HN 0.296 nan 8.380 nan 0.000 0.450 56 G N 0.537 109.528 108.800 0.318 0.000 2.347 56 G HA2 -0.057 3.903 3.960 -0.000 0.000 0.224 56 G HA3 -0.057 3.903 3.960 -0.000 0.000 0.224 56 G C -1.419 173.735 174.900 0.423 0.000 1.318 56 G CA -0.792 44.477 45.100 0.282 0.000 1.016 56 G HN 0.459 nan 8.290 nan 0.000 0.469 57 E N -0.320 120.075 120.200 0.325 0.000 2.316 57 E HA 0.496 4.846 4.350 -0.000 0.000 0.275 57 E C -0.946 175.917 176.600 0.439 0.000 1.029 57 E CA 0.060 56.652 56.400 0.320 0.000 0.871 57 E CB 0.662 30.464 29.700 0.170 0.000 1.022 57 E HN 0.384 nan 8.360 nan 0.000 0.418 58 W N 1.584 122.959 121.300 0.125 0.000 3.060 58 W HA 0.437 5.097 4.660 -0.000 0.000 0.346 58 W C -0.505 176.111 176.519 0.162 0.000 1.194 58 W CA -0.692 56.753 57.345 0.167 0.000 1.105 58 W CB 0.949 30.553 29.460 0.241 0.000 1.487 58 W HN 0.259 nan 8.180 nan 0.000 0.592 59 R N 1.525 122.291 120.500 0.442 0.000 2.445 59 R HA 0.591 4.931 4.340 -0.000 0.000 0.308 59 R C -1.536 174.948 176.300 0.307 0.000 0.961 59 R CA -0.801 55.482 56.100 0.305 0.000 0.862 59 R CB 1.963 32.388 30.300 0.208 0.000 1.144 59 R HN 0.345 nan 8.270 nan 0.000 0.447 60 F N 1.375 121.321 119.950 -0.007 0.000 2.546 60 F HA 0.725 5.252 4.527 -0.000 0.000 0.320 60 F C -1.288 174.376 175.800 -0.226 0.000 1.076 60 F CA -0.682 57.172 58.000 -0.243 0.000 0.928 60 F CB 2.043 40.753 39.000 -0.484 0.000 1.189 60 F HN 0.639 nan 8.300 nan 0.000 0.465 61 A N 4.286 126.174 122.820 -1.552 0.000 2.517 61 A HA 0.520 4.840 4.320 -0.000 0.000 0.297 61 A C -2.440 174.300 177.584 -1.406 0.000 1.050 61 A CA -0.521 50.837 52.037 -1.133 0.000 0.694 61 A CB 0.469 19.200 19.000 -0.448 0.000 1.277 61 A HN 0.977 nan 8.150 nan 0.000 0.400 62 W N 2.504 123.066 121.300 -1.230 0.000 2.606 62 W HA 0.797 5.457 4.660 -0.000 0.000 0.332 62 W C -1.983 174.083 176.519 -0.755 0.000 1.052 62 W CA -0.555 56.265 57.345 -0.876 0.000 1.223 62 W CB 1.320 30.450 29.460 -0.551 0.000 1.383 62 W HN 0.501 nan 8.180 nan 0.000 0.524 63 F N 5.544 124.891 119.950 -1.005 0.000 2.591 63 F HA 0.329 4.856 4.527 -0.000 0.000 0.309 63 F C -1.417 173.560 175.800 -1.373 0.000 1.098 63 F CA -2.564 54.971 58.000 -0.774 0.000 0.937 63 F CB 1.548 40.240 39.000 -0.513 0.000 1.250 63 F HN 0.187 nan 8.300 nan 0.000 0.447 64 P HA 0.020 nan 4.420 nan 0.000 0.225 64 P C -0.180 177.023 177.300 -0.162 0.000 1.148 64 P CA 1.144 64.069 63.100 -0.292 0.000 0.779 64 P CB 0.551 32.327 31.700 0.127 0.000 0.780 65 A N -1.281 121.449 122.820 -0.150 0.000 2.605 65 A HA 0.528 4.848 4.320 -0.000 0.000 0.294 65 A C -2.402 175.082 177.584 -0.168 0.000 1.062 65 A CA -1.075 50.900 52.037 -0.103 0.000 0.682 65 A CB 0.600 19.601 19.000 0.001 0.000 1.278 65 A HN -0.281 nan 8.150 nan 0.000 0.410 66 P HA -0.160 nan 4.420 nan 0.000 0.215 66 P C 1.021 178.207 177.300 -0.190 0.000 1.157 66 P CA 1.862 64.806 63.100 -0.260 0.000 0.863 66 P CB -0.016 31.492 31.700 -0.321 0.000 0.787 67 E N 0.746 120.903 120.200 -0.072 0.000 2.171 67 E HA -0.178 4.172 4.350 -0.000 0.000 0.197 67 E C 1.818 178.383 176.600 -0.059 0.000 0.997 67 E CA 1.578 57.963 56.400 -0.025 0.000 0.810 67 E CB -1.229 28.494 29.700 0.037 0.000 0.738 67 E HN 0.219 nan 8.360 nan 0.000 0.467 68 A N 1.709 124.489 122.820 -0.066 0.000 2.255 68 A HA 0.149 4.469 4.320 -0.000 0.000 0.206 68 A C 1.110 178.590 177.584 -0.173 0.000 1.193 68 A CA -0.003 52.023 52.037 -0.019 0.000 0.794 68 A CB -0.219 18.855 19.000 0.124 0.000 0.794 68 A HN 0.056 nan 8.150 nan 0.000 0.481 69 V N 1.015 120.690 119.914 -0.399 0.000 2.834 69 V HA 0.289 4.409 4.120 -0.000 0.000 0.301 69 V C -2.374 173.557 176.094 -0.272 0.000 1.066 69 V CA -1.361 60.550 62.300 -0.650 0.000 1.052 69 V CB 1.049 32.305 31.823 -0.945 0.000 1.021 69 V HN 0.264 nan 8.190 nan 0.000 0.480 70 P HA 0.438 nan 4.420 nan 0.000 0.306 70 P C 0.175 177.476 177.300 0.002 0.000 1.385 70 P CA -0.598 62.477 63.100 -0.041 0.000 0.915 70 P CB 1.795 33.514 31.700 0.031 0.000 1.013 71 E N 1.445 121.630 120.200 -0.026 0.000 2.187 71 E HA -0.211 4.139 4.350 -0.000 0.000 0.199 71 E C 1.514 178.081 176.600 -0.056 0.000 1.004 71 E CA 2.141 58.509 56.400 -0.053 0.000 0.813 71 E CB -0.215 29.456 29.700 -0.049 0.000 0.736 71 E HN 0.387 nan 8.360 nan 0.000 0.468 72 S N -0.102 115.592 115.700 -0.010 0.000 2.387 72 S HA -0.243 4.227 4.470 -0.000 0.000 0.230 72 S C 1.452 176.044 174.600 -0.013 0.000 1.035 72 S CA 1.202 59.397 58.200 -0.007 0.000 1.014 72 S CB -0.786 62.434 63.200 0.033 0.000 0.836 72 S HN 0.551 nan 8.310 nan 0.000 0.466 73 W N 2.641 123.857 121.300 -0.140 0.000 2.292 73 W HA -0.188 4.472 4.660 -0.000 0.000 0.304 73 W C 1.640 178.048 176.519 -0.186 0.000 1.228 73 W CA 1.135 58.386 57.345 -0.156 0.000 1.241 73 W CB -0.685 28.649 29.460 -0.210 0.000 1.142 73 W HN 0.248 nan 8.180 nan 0.000 0.520 74 L N 0.039 120.971 121.223 -0.486 0.000 2.083 74 L HA -0.206 4.134 4.340 -0.000 0.000 0.209 74 L C 2.607 179.203 176.870 -0.456 0.000 1.083 74 L CA 1.537 55.964 54.840 -0.689 0.000 0.752 74 L CB -0.715 41.013 42.059 -0.553 0.000 0.899 74 L HN -0.048 nan 8.230 nan 0.000 0.433 75 E N -1.247 118.786 120.200 -0.279 0.000 2.079 75 E HA 0.068 4.418 4.350 -0.000 0.000 0.191 75 E C 0.353 176.865 176.600 -0.147 0.000 0.961 75 E CA 0.448 56.744 56.400 -0.174 0.000 0.823 75 E CB 0.109 29.746 29.700 -0.105 0.000 0.789 75 E HN 0.318 nan 8.360 nan 0.000 0.459 76 C N 1.917 121.147 119.300 -0.116 0.000 2.507 76 C HA 0.361 4.821 4.460 -0.000 0.000 0.319 76 C C 0.195 175.180 174.990 -0.009 0.000 1.208 76 C CA -1.272 57.712 59.018 -0.057 0.000 1.619 76 C CB 1.566 29.294 27.740 -0.019 0.000 2.230 76 C HN 0.243 nan 8.230 nan 0.000 0.492 77 D N 1.273 121.683 120.400 0.016 0.000 2.378 77 D HA 0.217 4.857 4.640 -0.000 0.000 0.238 77 D C -0.126 176.249 176.300 0.125 0.000 1.180 77 D CA 0.443 54.500 54.000 0.096 0.000 0.895 77 D CB 0.671 41.515 40.800 0.072 0.000 1.192 77 D HN 0.358 nan 8.370 nan 0.000 0.438 78 L N 2.463 123.787 121.223 0.168 0.000 2.416 78 L HA 0.217 4.557 4.340 -0.000 0.000 0.262 78 L C -1.198 175.714 176.870 0.070 0.000 1.093 78 L CA -1.546 53.365 54.840 0.119 0.000 0.801 78 L CB 0.635 42.769 42.059 0.125 0.000 1.191 78 L HN 0.268 nan 8.230 nan 0.000 0.459 79 P HA -0.036 nan 4.420 nan 0.000 0.216 79 P C 0.587 177.900 177.300 0.021 0.000 1.156 79 P CA 0.895 64.014 63.100 0.031 0.000 0.855 79 P CB 0.226 31.940 31.700 0.023 0.000 0.786 80 E N 0.123 120.328 120.200 0.009 0.000 2.494 80 E HA 0.245 4.595 4.350 -0.000 0.000 0.193 80 E C 0.762 177.353 176.600 -0.015 0.000 1.074 80 E CA -0.089 56.303 56.400 -0.013 0.000 0.867 80 E CB -0.756 28.918 29.700 -0.043 0.000 0.924 80 E HN 0.178 nan 8.360 nan 0.000 0.502 81 A N 1.261 124.086 122.820 0.009 0.000 2.445 81 A HA 0.135 4.455 4.320 -0.000 0.000 0.242 81 A C -0.033 177.581 177.584 0.051 0.000 1.075 81 A CA -0.235 51.810 52.037 0.013 0.000 0.777 81 A CB 0.372 19.408 19.000 0.059 0.000 1.013 81 A HN 0.052 nan 8.150 nan 0.000 0.493 82 D N 0.204 120.656 120.400 0.088 0.000 2.326 82 D HA 0.430 5.070 4.640 -0.000 0.000 0.248 82 D C -0.669 175.720 176.300 0.148 0.000 1.001 82 D CA -0.068 54.011 54.000 0.132 0.000 0.961 82 D CB 1.636 42.570 40.800 0.223 0.000 1.183 82 D HN 0.428 nan 8.370 nan 0.000 0.502 83 T N 0.911 115.538 114.554 0.122 0.000 2.767 83 T HA 0.450 4.800 4.350 -0.000 0.000 0.284 83 T C -0.089 174.682 174.700 0.119 0.000 0.973 83 T CA -0.424 61.754 62.100 0.131 0.000 0.996 83 T CB 1.044 69.972 68.868 0.100 0.000 0.927 83 T HN 0.047 nan 8.240 nan 0.000 0.456 84 V N 3.419 123.431 119.914 0.164 0.000 3.040 84 V HA 0.540 4.660 4.120 -0.000 0.000 0.312 84 V C -0.322 175.876 176.094 0.172 0.000 1.115 84 V CA -0.922 61.444 62.300 0.110 0.000 0.998 84 V CB 2.436 34.309 31.823 0.083 0.000 1.042 84 V HN 0.633 nan 8.190 nan 0.000 0.433 85 V N 2.372 122.359 119.914 0.121 0.000 2.481 85 V HA 0.542 4.661 4.120 -0.000 0.000 0.286 85 V C -0.213 175.929 176.094 0.080 0.000 1.042 85 V CA -0.427 61.949 62.300 0.127 0.000 0.928 85 V CB 1.564 33.435 31.823 0.081 0.000 0.986 85 V HN 0.556 nan 8.190 nan 0.000 0.462 86 V N 6.790 126.697 119.914 -0.011 0.000 2.604 86 V HA 0.518 4.638 4.120 -0.000 0.000 0.305 86 V C -2.275 173.738 176.094 -0.135 0.000 1.043 86 V CA -1.736 60.441 62.300 -0.205 0.000 0.888 86 V CB 2.689 34.062 31.823 -0.750 0.000 0.995 86 V HN 0.786 nan 8.190 nan 0.000 0.429 87 P HA 0.580 nan 4.420 nan 0.000 0.278 87 P C -0.969 176.284 177.300 -0.079 0.000 1.258 87 P CA -0.284 62.725 63.100 -0.152 0.000 0.811 87 P CB 1.522 33.137 31.700 -0.140 0.000 1.063 88 S N -0.350 115.325 115.700 -0.043 0.000 2.643 88 S HA 0.392 4.862 4.470 -0.000 0.000 0.266 88 S C -1.486 173.083 174.600 -0.050 0.000 1.130 88 S CA -1.013 57.158 58.200 -0.048 0.000 0.817 88 S CB 0.124 63.313 63.200 -0.019 0.000 1.107 88 S HN 0.333 nan 8.310 nan 0.000 0.471 89 N N 1.139 119.729 118.700 -0.183 0.000 2.444 89 N HA 0.424 5.164 4.740 -0.000 0.000 0.262 89 N C 0.527 175.897 175.510 -0.234 0.000 0.974 89 N CA -0.755 52.160 53.050 -0.225 0.000 0.933 89 N CB 0.714 39.026 38.487 -0.293 0.000 1.137 89 N HN 0.817 nan 8.380 nan 0.000 0.498 90 W N 3.067 124.242 121.300 -0.207 0.000 2.350 90 W HA -0.170 4.490 4.660 -0.000 0.000 0.289 90 W C 0.948 177.459 176.519 -0.013 0.000 1.215 90 W CA 1.143 58.373 57.345 -0.193 0.000 1.236 90 W CB -0.441 28.824 29.460 -0.325 0.000 1.130 90 W HN 0.498 nan 8.180 nan 0.000 0.541 91 Q N 0.244 120.056 119.800 0.020 0.000 2.291 91 Q HA -0.122 4.218 4.340 -0.000 0.000 0.206 91 Q C 2.052 178.035 176.000 -0.029 0.000 0.976 91 Q CA 1.676 57.506 55.803 0.046 0.000 0.875 91 Q CB -0.630 28.008 28.738 -0.166 0.000 0.927 91 Q HN 0.242 nan 8.270 nan 0.000 0.450 92 M N -0.890 118.615 119.600 -0.159 0.000 2.630 92 M HA -0.037 4.443 4.480 -0.000 0.000 0.254 92 M C 0.411 176.683 176.300 -0.046 0.000 1.092 92 M CA 1.241 56.427 55.300 -0.190 0.000 1.087 92 M CB -0.530 31.888 32.600 -0.303 0.000 1.453 92 M HN 0.335 nan 8.290 nan 0.000 0.509 93 H N -1.361 117.782 119.070 0.122 0.000 2.592 93 H HA 0.354 4.910 4.556 -0.000 0.000 0.279 93 H C 1.257 176.511 175.328 -0.122 0.000 1.089 93 H CA 0.090 56.192 56.048 0.090 0.000 1.150 93 H CB 0.469 30.430 29.762 0.332 0.000 1.575 93 H HN 0.502 nan 8.280 nan 0.000 0.547 94 G N 0.622 109.462 108.800 0.067 0.000 2.179 94 G HA2 -0.407 3.553 3.960 -0.000 0.000 0.260 94 G HA3 -0.407 3.553 3.960 -0.000 0.000 0.260 94 G C 0.519 175.329 174.900 -0.150 0.000 0.977 94 G CA 0.605 45.660 45.100 -0.075 0.000 0.641 94 G HN 0.470 nan 8.290 nan 0.000 0.533 95 Y N 1.814 122.150 120.300 0.061 0.000 2.207 95 Y HA 0.196 4.746 4.550 -0.000 0.000 0.287 95 Y C 1.722 177.445 175.900 -0.296 0.000 1.156 95 Y CA 1.641 59.649 58.100 -0.153 0.000 1.182 95 Y CB -0.072 38.308 38.460 -0.134 0.000 0.979 95 Y HN 0.663 nan 8.280 nan 0.000 0.521 96 D N -2.428 118.120 120.400 0.247 0.000 2.768 96 D HA 0.513 5.153 4.640 -0.000 0.000 0.327 96 D C -1.157 175.280 176.300 0.227 0.000 1.302 96 D CA -0.769 53.377 54.000 0.243 0.000 0.897 96 D CB 0.691 41.798 40.800 0.513 0.000 1.420 96 D HN 0.002 nan 8.370 nan 0.000 0.494 97 A N -0.347 122.605 122.820 0.220 0.000 2.316 97 A HA 0.703 5.023 4.320 -0.000 0.000 0.284 97 A C -2.413 175.226 177.584 0.091 0.000 1.115 97 A CA -1.133 51.005 52.037 0.169 0.000 0.812 97 A CB 0.093 19.240 19.000 0.246 0.000 1.064 97 A HN 0.488 nan 8.150 nan 0.000 0.489 98 P HA 0.506 nan 4.420 nan 0.000 0.288 98 P C -0.857 176.578 177.300 0.225 0.000 1.267 98 P CA -0.010 63.030 63.100 -0.101 0.000 0.815 98 P CB 0.886 32.237 31.700 -0.581 0.000 0.989 99 I N 2.237 123.035 120.570 0.381 0.000 2.493 99 I HA 0.344 4.514 4.170 -0.000 0.000 0.298 99 I C -0.629 175.709 176.117 0.368 0.000 0.998 99 I CA -0.979 60.559 61.300 0.396 0.000 1.137 99 I CB 1.807 39.961 38.000 0.256 0.000 1.310 99 I HN 0.311 nan 8.210 nan 0.000 0.445 100 Y N 5.332 125.613 120.300 -0.032 0.000 2.686 100 Y HA 0.431 4.980 4.550 -0.000 0.000 0.331 100 Y C -0.382 175.365 175.900 -0.254 0.000 0.996 100 Y CA -0.522 57.299 58.100 -0.465 0.000 1.293 100 Y CB 0.842 38.413 38.460 -1.482 0.000 1.092 100 Y HN 0.675 nan 8.280 nan 0.000 0.524 101 T N 0.966 114.984 114.554 -0.892 0.000 2.930 101 T HA 0.334 4.684 4.350 -0.000 0.000 0.290 101 T C 0.202 174.369 174.700 -0.889 0.000 1.052 101 T CA -0.810 60.794 62.100 -0.827 0.000 1.017 101 T CB 2.333 70.941 68.868 -0.433 0.000 1.137 101 T HN 0.699 nan 8.240 nan 0.000 0.511 102 N N -0.214 118.064 118.700 -0.703 0.000 2.622 102 N HA 0.021 4.761 4.740 -0.000 0.000 0.213 102 N C 1.170 176.382 175.510 -0.497 0.000 1.037 102 N CA 0.172 52.916 53.050 -0.509 0.000 0.999 102 N CB 0.417 38.619 38.487 -0.474 0.000 1.342 102 N HN 0.334 nan 8.380 nan 0.000 0.465 103 V N 0.913 120.470 119.914 -0.595 0.000 2.521 103 V HA 0.087 4.207 4.120 -0.000 0.000 0.239 103 V C 0.612 176.369 176.094 -0.563 0.000 1.053 103 V CA 0.767 62.639 62.300 -0.715 0.000 1.073 103 V CB -0.090 31.235 31.823 -0.829 0.000 0.746 103 V HN 0.280 nan 8.190 nan 0.000 0.476 104 T N 1.144 115.439 114.554 -0.431 0.000 2.871 104 T HA 0.106 4.456 4.350 -0.000 0.000 0.296 104 T C -0.404 174.134 174.700 -0.271 0.000 0.998 104 T CA 0.369 62.291 62.100 -0.297 0.000 1.162 104 T CB -0.300 68.433 68.868 -0.224 0.000 0.947 104 T HN 0.189 nan 8.240 nan 0.000 0.536 105 Y N 4.838 125.027 120.300 -0.185 0.000 2.597 105 Y HA 0.112 4.662 4.550 -0.000 0.000 0.336 105 Y C -0.939 174.820 175.900 -0.236 0.000 1.216 105 Y CA -1.828 56.149 58.100 -0.204 0.000 1.463 105 Y CB 0.427 38.763 38.460 -0.207 0.000 1.303 105 Y HN 0.556 nan 8.280 nan 0.000 0.576 106 P HA -0.123 nan 4.420 nan 0.000 0.220 106 P C 0.129 177.233 177.300 -0.326 0.000 1.148 106 P CA 1.406 64.386 63.100 -0.200 0.000 0.803 106 P CB 0.194 31.756 31.700 -0.230 0.000 0.782 107 I N -4.841 115.474 120.570 -0.425 0.000 3.237 107 I HA 0.462 4.632 4.170 -0.000 0.000 0.308 107 I C -0.584 175.391 176.117 -0.236 0.000 1.093 107 I CA -1.055 59.980 61.300 -0.442 0.000 1.001 107 I CB 1.501 39.069 38.000 -0.720 0.000 1.245 107 I HN -0.426 nan 8.210 nan 0.000 0.485 108 T N 2.263 116.719 114.554 -0.163 0.000 2.919 108 T HA 0.222 4.572 4.350 -0.000 0.000 0.302 108 T C 0.141 174.819 174.700 -0.036 0.000 1.031 108 T CA -0.321 61.741 62.100 -0.063 0.000 1.127 108 T CB 0.989 69.851 68.868 -0.010 0.000 0.952 108 T HN 0.375 nan 8.240 nan 0.000 0.540 109 V N 4.638 124.556 119.914 0.006 0.000 2.352 109 V HA 0.252 4.372 4.120 -0.000 0.000 0.253 109 V C 0.648 176.813 176.094 0.117 0.000 1.083 109 V CA -0.181 62.158 62.300 0.064 0.000 0.993 109 V CB -0.384 31.462 31.823 0.038 0.000 1.111 109 V HN 0.845 nan 8.190 nan 0.000 0.490 110 N N 5.622 124.464 118.700 0.236 0.000 2.679 110 N HA 0.241 4.981 4.740 -0.000 0.000 0.240 110 N C -2.993 172.582 175.510 0.108 0.000 1.537 110 N CA -1.242 51.917 53.050 0.183 0.000 0.793 110 N CB 1.476 40.118 38.487 0.259 0.000 1.391 110 N HN 0.263 nan 8.380 nan 0.000 0.524 111 P HA 0.182 nan 4.420 nan 0.000 0.266 111 P C -2.376 174.600 177.300 -0.541 0.000 1.195 111 P CA -0.714 61.886 63.100 -0.833 0.000 0.768 111 P CB 0.367 31.391 31.700 -1.125 0.000 0.838 112 P HA 0.277 nan 4.420 nan 0.000 0.257 112 P C -0.680 176.452 177.300 -0.279 0.000 1.737 112 P CA -0.356 62.459 63.100 -0.475 0.000 1.130 112 P CB -0.209 31.252 31.700 -0.398 0.000 1.572 113 F N -0.329 119.736 119.950 0.192 0.000 2.396 113 F HA 0.282 4.809 4.527 -0.000 0.000 0.343 113 F C 1.131 177.114 175.800 0.306 0.000 1.104 113 F CA -0.962 57.167 58.000 0.214 0.000 1.161 113 F CB 1.177 40.249 39.000 0.120 0.000 1.146 113 F HN -0.263 nan 8.300 nan 0.000 0.522 114 V N 3.697 123.917 119.914 0.510 0.000 2.966 114 V HA 0.416 4.536 4.120 -0.000 0.000 0.317 114 V C -2.010 174.282 176.094 0.330 0.000 1.070 114 V CA -1.888 60.645 62.300 0.389 0.000 1.008 114 V CB 1.877 34.024 31.823 0.539 0.000 1.070 114 V HN 0.523 nan 8.190 nan 0.000 0.457 115 P HA 0.168 nan 4.420 nan 0.000 0.285 115 P C 0.806 178.271 177.300 0.274 0.000 1.259 115 P CA -0.048 63.178 63.100 0.209 0.000 0.794 115 P CB 0.910 32.692 31.700 0.136 0.000 0.940 116 T N 0.237 114.914 114.554 0.205 0.000 2.721 116 T HA -0.229 4.121 4.350 -0.000 0.000 0.268 116 T C 0.373 175.187 174.700 0.190 0.000 1.038 116 T CA 1.412 63.628 62.100 0.193 0.000 1.145 116 T CB -0.815 68.130 68.868 0.128 0.000 0.858 116 T HN 0.385 nan 8.240 nan 0.000 0.459 117 E N 2.722 123.038 120.200 0.194 0.000 1.941 117 E HA 0.446 4.796 4.350 -0.000 0.000 0.275 117 E C -0.644 176.108 176.600 0.253 0.000 1.113 117 E CA -0.300 56.214 56.400 0.190 0.000 0.878 117 E CB 0.314 30.131 29.700 0.195 0.000 1.070 117 E HN 0.497 nan 8.360 nan 0.000 0.399 118 N N 3.352 122.156 118.700 0.173 0.000 2.531 118 N HA 0.291 5.031 4.740 -0.000 0.000 0.268 118 N C -2.813 172.667 175.510 -0.050 0.000 1.023 118 N CA -2.718 50.430 53.050 0.164 0.000 0.896 118 N CB 1.116 39.747 38.487 0.240 0.000 1.233 118 N HN -0.028 nan 8.380 nan 0.000 0.512 119 P HA -0.002 nan 4.420 nan 0.000 0.256 119 P C -0.757 176.389 177.300 -0.257 0.000 1.173 119 P CA 0.547 63.511 63.100 -0.225 0.000 0.768 119 P CB 0.158 31.976 31.700 0.197 0.000 0.758 120 T N 2.668 116.875 114.554 -0.578 0.000 2.824 120 T HA 0.602 4.952 4.350 -0.000 0.000 0.280 120 T C 0.457 174.731 174.700 -0.710 0.000 0.995 120 T CA -0.544 61.283 62.100 -0.455 0.000 1.009 120 T CB 1.687 70.303 68.868 -0.420 0.000 0.955 120 T HN 0.321 nan 8.240 nan 0.000 0.452 121 G N 0.900 109.427 108.800 -0.456 0.000 2.533 121 G HA2 0.484 4.444 3.960 -0.000 0.000 0.310 121 G HA3 0.484 4.444 3.960 -0.000 0.000 0.310 121 G C -0.336 174.498 174.900 -0.110 0.000 1.266 121 G CA -0.456 44.387 45.100 -0.428 0.000 0.967 121 G HN 0.905 nan 8.290 nan 0.000 0.493 122 C N 3.176 122.134 119.300 -0.571 0.000 2.281 122 C HA 0.477 4.937 4.460 -0.000 0.000 0.336 122 C C -0.488 174.472 174.990 -0.050 0.000 1.217 122 C CA -1.050 57.636 59.018 -0.553 0.000 1.730 122 C CB -1.756 25.038 27.740 -1.577 0.000 2.338 122 C HN 0.596 nan 8.230 nan 0.000 0.521 123 Y N 1.748 122.253 120.300 0.342 0.000 2.387 123 Y HA 0.625 5.175 4.550 -0.000 0.000 0.330 123 Y C 0.762 177.114 175.900 0.753 0.000 1.133 123 Y CA -0.458 57.988 58.100 0.576 0.000 1.152 123 Y CB 1.369 40.140 38.460 0.519 0.000 1.215 123 Y HN 0.695 nan 8.280 nan 0.000 0.466 124 S N 2.853 119.042 115.700 0.816 0.000 2.541 124 S HA 0.809 5.279 4.470 -0.000 0.000 0.271 124 S C -1.593 173.097 174.600 0.150 0.000 1.133 124 S CA -0.878 57.611 58.200 0.481 0.000 0.876 124 S CB 2.203 65.635 63.200 0.388 0.000 1.105 124 S HN 0.678 nan 8.310 nan 0.000 0.470 125 L N 0.910 122.076 121.223 -0.096 0.000 2.565 125 L HA 0.685 5.025 4.340 -0.000 0.000 0.261 125 L C -1.513 175.333 176.870 -0.040 0.000 0.932 125 L CA -0.013 54.605 54.840 -0.369 0.000 0.878 125 L CB 2.245 43.493 42.059 -1.352 0.000 1.333 125 L HN 0.784 nan 8.230 nan 0.000 0.409 126 T N 5.283 119.827 114.554 -0.017 0.000 2.771 126 T HA 0.754 5.104 4.350 -0.000 0.000 0.281 126 T C -0.894 173.889 174.700 0.138 0.000 0.982 126 T CA -0.086 62.042 62.100 0.047 0.000 0.978 126 T CB 0.560 69.404 68.868 -0.039 0.000 0.930 126 T HN 0.469 nan 8.240 nan 0.000 0.447 127 F N 0.711 120.581 119.950 -0.134 0.000 2.711 127 F HA 0.695 5.222 4.527 -0.000 0.000 0.313 127 F C -0.984 174.758 175.800 -0.096 0.000 1.141 127 F CA -1.498 56.429 58.000 -0.122 0.000 0.941 127 F CB 1.326 40.244 39.000 -0.137 0.000 1.349 127 F HN 0.264 nan 8.300 nan 0.000 0.464 128 N N 0.147 118.797 118.700 -0.082 0.000 2.443 128 N HA 0.707 5.447 4.740 -0.000 0.000 0.295 128 N C -1.670 173.788 175.510 -0.086 0.000 1.076 128 N CA -0.591 52.367 53.050 -0.154 0.000 0.919 128 N CB 2.157 40.585 38.487 -0.099 0.000 1.176 128 N HN 0.582 nan 8.380 nan 0.000 0.487 129 V N 1.359 121.182 119.914 -0.153 0.000 2.540 129 V HA 0.266 4.386 4.120 -0.000 0.000 0.302 129 V C -0.210 175.765 176.094 -0.199 0.000 1.035 129 V CA -1.015 61.196 62.300 -0.149 0.000 0.873 129 V CB 1.600 33.389 31.823 -0.056 0.000 0.992 129 V HN 0.653 nan 8.190 nan 0.000 0.428 130 D N 2.912 123.097 120.400 -0.358 0.000 2.423 130 D HA -0.002 4.638 4.640 -0.000 0.000 0.238 130 D C 1.177 177.394 176.300 -0.138 0.000 1.142 130 D CA 0.194 54.021 54.000 -0.288 0.000 0.884 130 D CB 1.536 42.084 40.800 -0.420 0.000 1.199 130 D HN 0.878 nan 8.370 nan 0.000 0.438 131 E N 1.068 121.231 120.200 -0.061 0.000 2.299 131 E HA -0.134 4.216 4.350 -0.000 0.000 0.193 131 E C 1.644 178.281 176.600 0.061 0.000 0.998 131 E CA 0.811 57.216 56.400 0.008 0.000 0.851 131 E CB -0.194 29.505 29.700 -0.001 0.000 0.795 131 E HN 0.378 nan 8.360 nan 0.000 0.492 132 S N 0.389 116.123 115.700 0.057 0.000 2.387 132 S HA -0.222 4.248 4.470 -0.000 0.000 0.230 132 S C 1.539 176.237 174.600 0.164 0.000 1.035 132 S CA 1.051 59.314 58.200 0.106 0.000 1.014 132 S CB -0.867 62.401 63.200 0.113 0.000 0.836 132 S HN 0.522 nan 8.310 nan 0.000 0.466 133 W N 1.473 122.645 121.300 -0.213 0.000 2.402 133 W HA 0.281 4.941 4.660 -0.000 0.000 0.286 133 W C 2.226 178.690 176.519 -0.093 0.000 1.221 133 W CA -0.065 57.023 57.345 -0.427 0.000 1.257 133 W CB -0.856 28.362 29.460 -0.404 0.000 1.120 133 W HN 0.314 nan 8.180 nan 0.000 0.551 134 L N -0.275 121.077 121.223 0.216 0.000 2.291 134 L HA -0.183 4.157 4.340 -0.000 0.000 0.214 134 L C 2.294 179.239 176.870 0.124 0.000 1.120 134 L CA 0.974 55.911 54.840 0.162 0.000 0.799 134 L CB -0.378 41.745 42.059 0.107 0.000 0.925 134 L HN 0.044 nan 8.230 nan 0.000 0.446 135 Q N -0.328 119.540 119.800 0.113 0.000 1.922 135 Q HA -0.103 4.237 4.340 -0.000 0.000 0.201 135 Q C 0.890 176.947 176.000 0.094 0.000 0.979 135 Q CA 1.053 56.908 55.803 0.087 0.000 0.841 135 Q CB -0.008 28.774 28.738 0.073 0.000 0.903 135 Q HN 0.260 nan 8.270 nan 0.000 0.431 136 E N 0.329 120.600 120.200 0.119 0.000 2.264 136 E HA 0.438 4.788 4.350 -0.000 0.000 0.260 136 E C 0.337 177.035 176.600 0.164 0.000 0.961 136 E CA 0.007 56.472 56.400 0.110 0.000 0.834 136 E CB 1.040 30.788 29.700 0.079 0.000 1.230 136 E HN 0.347 nan 8.360 nan 0.000 0.412 137 G N 0.774 109.590 108.800 0.025 0.000 2.698 137 G HA2 -0.232 3.728 3.960 -0.000 0.000 0.233 137 G HA3 -0.232 3.728 3.960 -0.000 0.000 0.233 137 G C -0.839 173.962 174.900 -0.165 0.000 1.352 137 G CA 0.193 45.191 45.100 -0.171 0.000 0.879 137 G HN 0.796 nan 8.290 nan 0.000 0.567 138 Q N -0.641 118.912 119.800 -0.412 0.000 2.356 138 Q HA 0.652 4.992 4.340 -0.000 0.000 0.270 138 Q C -1.234 174.624 176.000 -0.236 0.000 1.058 138 Q CA -0.478 55.192 55.803 -0.222 0.000 0.802 138 Q CB 1.914 30.555 28.738 -0.162 0.000 1.303 138 Q HN 0.636 nan 8.270 nan 0.000 0.444 139 T N 4.645 119.211 114.554 0.019 0.000 2.809 139 T HA 0.522 4.872 4.350 -0.000 0.000 0.284 139 T C -0.910 173.863 174.700 0.123 0.000 0.992 139 T CA -0.642 61.528 62.100 0.116 0.000 0.957 139 T CB 0.705 69.771 68.868 0.331 0.000 0.942 139 T HN 0.651 nan 8.240 nan 0.000 0.439 140 R N 3.364 123.915 120.500 0.085 0.000 2.837 140 R HA 0.721 5.061 4.340 -0.000 0.000 0.271 140 R C -1.311 175.032 176.300 0.072 0.000 0.993 140 R CA -0.951 55.204 56.100 0.092 0.000 0.931 140 R CB 1.661 32.000 30.300 0.065 0.000 1.206 140 R HN 0.537 nan 8.270 nan 0.000 0.474 141 I N 2.706 123.308 120.570 0.053 0.000 2.607 141 I HA 0.467 4.637 4.170 -0.000 0.000 0.305 141 I C -0.994 175.043 176.117 -0.133 0.000 0.995 141 I CA -1.449 59.807 61.300 -0.073 0.000 1.148 141 I CB 1.507 39.430 38.000 -0.129 0.000 1.323 141 I HN 0.644 nan 8.210 nan 0.000 0.461 142 I N 6.588 126.971 120.570 -0.312 0.000 2.512 142 I HA 0.264 4.434 4.170 -0.000 0.000 0.287 142 I C -1.292 174.548 176.117 -0.461 0.000 1.069 142 I CA -0.368 60.766 61.300 -0.278 0.000 1.056 142 I CB 1.749 39.674 38.000 -0.124 0.000 1.229 142 I HN 0.354 nan 8.210 nan 0.000 0.429 143 F N 4.529 124.483 119.950 0.007 0.000 2.350 143 F HA 0.253 4.780 4.527 -0.000 0.000 0.365 143 F C 1.281 176.987 175.800 -0.156 0.000 1.122 143 F CA -0.449 57.490 58.000 -0.103 0.000 1.139 143 F CB 0.837 39.764 39.000 -0.122 0.000 1.220 143 F HN 0.487 nan 8.300 nan 0.000 0.499 144 D N 2.394 122.763 120.400 -0.051 0.000 2.264 144 D HA 0.051 4.691 4.640 -0.000 0.000 0.208 144 D C 0.947 177.103 176.300 -0.240 0.000 0.966 144 D CA 0.904 54.814 54.000 -0.150 0.000 0.864 144 D CB 0.362 41.040 40.800 -0.203 0.000 0.933 144 D HN 0.649 nan 8.370 nan 0.000 0.499 145 G N -0.698 107.884 108.800 -0.362 0.000 2.524 145 G HA2 0.409 4.369 3.960 -0.000 0.000 0.306 145 G HA3 0.409 4.369 3.960 -0.000 0.000 0.306 145 G C -1.579 172.873 174.900 -0.747 0.000 1.420 145 G CA -0.519 44.197 45.100 -0.640 0.000 1.086 145 G HN -0.057 nan 8.290 nan 0.000 0.591 146 V N 2.458 122.184 119.914 -0.313 0.000 2.524 146 V HA 0.560 4.680 4.120 -0.000 0.000 0.297 146 V C -0.760 175.385 176.094 0.086 0.000 1.035 146 V CA -1.128 61.036 62.300 -0.227 0.000 0.867 146 V CB 1.853 33.272 31.823 -0.672 0.000 1.004 146 V HN 0.783 nan 8.190 nan 0.000 0.426 147 N N 2.612 121.409 118.700 0.163 0.000 2.372 147 N HA 0.391 5.131 4.740 -0.000 0.000 0.285 147 N C 0.664 176.123 175.510 -0.085 0.000 1.008 147 N CA 0.159 53.236 53.050 0.045 0.000 0.880 147 N CB 2.421 40.849 38.487 -0.099 0.000 1.239 147 N HN 0.599 nan 8.380 nan 0.000 0.484 148 S N 2.429 118.105 115.700 -0.039 0.000 2.502 148 S HA 0.495 4.965 4.470 -0.000 0.000 0.228 148 S C 0.549 175.216 174.600 0.110 0.000 1.061 148 S CA 0.339 58.568 58.200 0.050 0.000 0.935 148 S CB 0.049 63.295 63.200 0.076 0.000 0.809 148 S HN 0.694 nan 8.310 nan 0.000 0.510 149 A N 0.744 123.643 122.820 0.132 0.000 2.485 149 A HA 0.867 5.187 4.320 -0.000 0.000 0.292 149 A C -1.033 176.708 177.584 0.262 0.000 1.147 149 A CA -0.975 51.133 52.037 0.118 0.000 0.750 149 A CB 1.094 20.185 19.000 0.150 0.000 1.331 149 A HN 1.234 nan 8.150 nan 0.000 0.419 150 F N -1.126 118.732 119.950 -0.154 0.000 2.746 150 F HA 0.595 5.122 4.527 -0.000 0.000 0.311 150 F C -1.467 174.372 175.800 0.065 0.000 1.135 150 F CA -0.814 57.184 58.000 -0.003 0.000 0.954 150 F CB 0.867 39.826 39.000 -0.069 0.000 1.276 150 F HN 0.643 nan 8.300 nan 0.000 0.440 151 H N 1.903 121.145 119.070 0.287 0.000 2.533 151 H HA 0.812 5.368 4.556 -0.000 0.000 0.343 151 H C -1.402 174.009 175.328 0.138 0.000 1.160 151 H CA -0.682 55.484 56.048 0.197 0.000 1.218 151 H CB 2.352 32.285 29.762 0.286 0.000 1.566 151 H HN 0.831 nan 8.280 nan 0.000 0.522 152 L N 2.100 123.227 121.223 -0.160 0.000 2.431 152 L HA 0.417 4.757 4.340 -0.000 0.000 0.266 152 L C -1.864 174.678 176.870 -0.546 0.000 0.978 152 L CA -0.521 54.220 54.840 -0.164 0.000 0.822 152 L CB 1.852 43.758 42.059 -0.256 0.000 1.310 152 L HN 0.508 nan 8.230 nan 0.000 0.409 153 W N 4.183 125.446 121.300 -0.061 0.000 2.936 153 W HA 0.631 5.291 4.660 -0.000 0.000 0.338 153 W C -1.236 175.210 176.519 -0.122 0.000 1.121 153 W CA -0.780 56.496 57.345 -0.116 0.000 1.209 153 W CB 2.103 31.524 29.460 -0.064 0.000 1.420 153 W HN 0.692 nan 8.180 nan 0.000 0.516 154 C N 4.976 124.344 119.300 0.114 0.000 2.446 154 C HA 0.318 4.778 4.460 -0.000 0.000 0.329 154 C C 0.092 175.179 174.990 0.162 0.000 1.166 154 C CA -0.387 58.679 59.018 0.081 0.000 1.341 154 C CB -0.414 27.294 27.740 -0.054 0.000 1.970 154 C HN 0.800 nan 8.230 nan 0.000 0.452 155 N N 3.725 122.488 118.700 0.105 0.000 2.725 155 N HA -0.182 4.558 4.740 -0.000 0.000 0.251 155 N C 0.999 176.564 175.510 0.092 0.000 1.031 155 N CA 2.105 55.196 53.050 0.068 0.000 0.720 155 N CB -1.301 37.228 38.487 0.070 0.000 0.930 155 N HN 1.932 nan 8.380 nan 0.000 0.543 156 G N -1.326 107.515 108.800 0.069 0.000 2.234 156 G HA2 -0.383 3.577 3.960 -0.000 0.000 0.260 156 G HA3 -0.383 3.577 3.960 -0.000 0.000 0.260 156 G C 0.230 175.290 174.900 0.267 0.000 0.987 156 G CA 0.666 45.801 45.100 0.058 0.000 0.625 156 G HN 0.573 nan 8.290 nan 0.000 0.532 157 R N -0.855 119.873 120.500 0.379 0.000 2.312 157 R HA 0.455 4.795 4.340 -0.000 0.000 0.311 157 R C -0.068 176.532 176.300 0.500 0.000 1.004 157 R CA -0.879 55.522 56.100 0.503 0.000 0.902 157 R CB 0.671 31.299 30.300 0.547 0.000 1.073 157 R HN 0.258 nan 8.270 nan 0.000 0.457 158 W N 3.999 125.452 121.300 0.254 0.000 2.251 158 W HA 0.093 4.753 4.660 -0.000 0.000 0.327 158 W C -0.137 176.208 176.519 -0.290 0.000 1.361 158 W CA 0.059 57.148 57.345 -0.427 0.000 1.234 158 W CB 0.627 29.882 29.460 -0.341 0.000 1.212 158 W HN 0.345 nan 8.180 nan 0.000 0.557 159 V N 4.957 123.821 119.914 -1.750 0.000 2.948 159 V HA 0.579 4.699 4.120 -0.000 0.000 0.234 159 V C 0.941 175.927 176.094 -1.846 0.000 1.205 159 V CA 0.795 62.209 62.300 -1.478 0.000 1.234 159 V CB -0.276 30.822 31.823 -1.208 0.000 1.020 159 V HN 0.778 nan 8.190 nan 0.000 0.491 160 G N -1.698 105.904 108.800 -1.997 0.000 2.554 160 G HA2 0.525 4.485 3.960 -0.000 0.000 0.306 160 G HA3 0.525 4.485 3.960 -0.000 0.000 0.306 160 G C -2.504 172.197 174.900 -0.331 0.000 1.320 160 G CA -0.327 44.139 45.100 -1.055 0.000 0.800 160 G HN -0.012 nan 8.290 nan 0.000 0.481 161 Y N -0.656 119.593 120.300 -0.085 0.000 2.588 161 Y HA 0.739 5.289 4.550 -0.000 0.000 0.343 161 Y C -0.044 175.726 175.900 -0.217 0.000 1.065 161 Y CA -0.258 57.680 58.100 -0.270 0.000 1.038 161 Y CB 2.332 40.728 38.460 -0.108 0.000 1.297 161 Y HN 1.193 nan 8.280 nan 0.000 0.467 162 G N 3.319 111.360 108.800 -1.265 0.000 2.742 162 G HA2 0.569 4.529 3.960 -0.000 0.000 0.296 162 G HA3 0.569 4.529 3.960 -0.000 0.000 0.296 162 G C -2.176 172.281 174.900 -0.738 0.000 1.436 162 G CA -0.906 43.729 45.100 -0.776 0.000 0.928 162 G HN 0.599 nan 8.290 nan 0.000 0.520 163 Q N -0.084 119.517 119.800 -0.332 0.000 2.496 163 Q HA 0.609 4.949 4.340 -0.000 0.000 0.286 163 Q C -1.358 174.638 176.000 -0.007 0.000 1.103 163 Q CA -0.842 54.880 55.803 -0.134 0.000 0.813 163 Q CB 2.780 31.481 28.738 -0.062 0.000 1.444 163 Q HN 0.654 nan 8.270 nan 0.000 0.443 164 D N -0.075 120.359 120.400 0.058 0.000 4.150 164 D HA -0.097 4.543 4.640 -0.000 0.000 0.231 164 D C -0.204 176.158 176.300 0.104 0.000 1.129 164 D CA 0.673 54.724 54.000 0.085 0.000 1.005 164 D CB -0.700 40.137 40.800 0.062 0.000 0.691 164 D HN 0.575 nan 8.370 nan 0.000 0.320 165 S N 3.081 118.857 115.700 0.127 0.000 2.465 165 S HA -0.159 4.310 4.470 -0.000 0.000 0.241 165 S C 1.601 176.324 174.600 0.205 0.000 1.000 165 S CA 0.715 59.018 58.200 0.172 0.000 0.964 165 S CB 0.127 63.416 63.200 0.149 0.000 0.763 165 S HN 0.569 nan 8.310 nan 0.000 0.512 166 R N 0.233 120.823 120.500 0.150 0.000 2.362 166 R HA 0.449 4.789 4.340 -0.000 0.000 0.227 166 R C 0.056 176.417 176.300 0.102 0.000 0.905 166 R CA 0.044 56.233 56.100 0.148 0.000 1.067 166 R CB -0.372 30.028 30.300 0.167 0.000 1.078 166 R HN 0.378 nan 8.270 nan 0.000 0.516 167 L N 1.277 122.538 121.223 0.063 0.000 2.301 167 L HA 0.501 4.841 4.340 -0.000 0.000 0.264 167 L C -2.334 174.528 176.870 -0.014 0.000 1.016 167 L CA -2.439 52.411 54.840 0.016 0.000 0.821 167 L CB 1.960 44.021 42.059 0.003 0.000 1.346 167 L HN -0.232 nan 8.230 nan 0.000 0.429 168 P HA 0.134 nan 4.420 nan 0.000 0.269 168 P C -1.144 176.144 177.300 -0.020 0.000 1.215 168 P CA -0.222 62.849 63.100 -0.048 0.000 0.780 168 P CB 0.796 32.428 31.700 -0.113 0.000 0.898 169 S N 1.103 116.842 115.700 0.066 0.000 2.561 169 S HA 0.361 4.831 4.470 -0.000 0.000 0.303 169 S C -0.736 173.867 174.600 0.005 0.000 1.110 169 S CA -0.614 57.620 58.200 0.057 0.000 1.034 169 S CB 0.946 64.332 63.200 0.310 0.000 1.010 169 S HN 0.343 nan 8.310 nan 0.000 0.482 170 E N 1.906 121.930 120.200 -0.293 0.000 2.238 170 E HA 0.629 4.979 4.350 -0.000 0.000 0.267 170 E C -1.504 174.797 176.600 -0.497 0.000 0.887 170 E CA -0.618 55.656 56.400 -0.209 0.000 0.769 170 E CB 1.689 31.355 29.700 -0.057 0.000 1.187 170 E HN 0.417 nan 8.360 nan 0.000 0.416 171 F N 0.333 120.301 119.950 0.029 0.000 2.578 171 F HA 0.239 4.766 4.527 -0.000 0.000 0.311 171 F C -0.184 175.618 175.800 0.004 0.000 1.094 171 F CA -1.202 56.800 58.000 0.003 0.000 0.923 171 F CB 1.355 40.333 39.000 -0.037 0.000 1.230 171 F HN 0.242 nan 8.300 nan 0.000 0.450 172 D N 2.423 122.959 120.400 0.226 0.000 2.336 172 D HA 0.263 4.903 4.640 -0.000 0.000 0.249 172 D C 0.462 176.887 176.300 0.208 0.000 1.213 172 D CA 0.284 54.387 54.000 0.172 0.000 0.870 172 D CB 1.006 41.895 40.800 0.149 0.000 1.076 172 D HN 0.585 nan 8.370 nan 0.000 0.483 173 L N 2.516 123.860 121.223 0.201 0.000 2.513 173 L HA -0.035 4.305 4.340 -0.000 0.000 0.222 173 L C 2.191 179.302 176.870 0.402 0.000 1.096 173 L CA -0.062 54.931 54.840 0.255 0.000 0.857 173 L CB -0.057 42.118 42.059 0.193 0.000 1.026 173 L HN 0.329 nan 8.230 nan 0.000 0.469 174 S N 1.182 117.048 115.700 0.277 0.000 2.429 174 S HA -0.354 4.116 4.470 -0.000 0.000 0.251 174 S C 1.870 176.579 174.600 0.181 0.000 1.104 174 S CA 2.054 60.379 58.200 0.208 0.000 1.130 174 S CB -0.280 63.001 63.200 0.135 0.000 1.000 174 S HN 0.586 nan 8.310 nan 0.000 0.449 175 A N -0.826 122.102 122.820 0.179 0.000 2.251 175 A HA 0.370 4.690 4.320 -0.000 0.000 0.209 175 A C 0.980 178.423 177.584 -0.235 0.000 1.187 175 A CA 0.237 52.220 52.037 -0.090 0.000 0.823 175 A CB -0.258 18.548 19.000 -0.322 0.000 0.846 175 A HN 0.487 nan 8.150 nan 0.000 0.486 176 F N -0.962 119.022 119.950 0.058 0.000 2.706 176 F HA 0.391 4.918 4.527 -0.000 0.000 0.313 176 F C 0.285 176.114 175.800 0.048 0.000 1.096 176 F CA -0.683 57.348 58.000 0.051 0.000 1.219 176 F CB -0.054 38.978 39.000 0.054 0.000 1.051 176 F HN -0.075 nan 8.300 nan 0.000 0.568 177 L N 1.904 123.276 121.223 0.248 0.000 2.350 177 L HA 0.481 4.821 4.340 -0.000 0.000 0.275 177 L C 0.320 177.234 176.870 0.074 0.000 1.099 177 L CA -0.447 54.484 54.840 0.153 0.000 0.808 177 L CB 0.938 43.107 42.059 0.183 0.000 1.149 177 L HN -0.009 nan 8.230 nan 0.000 0.442 178 R N 1.584 122.093 120.500 0.014 0.000 2.787 178 R HA 0.712 5.052 4.340 -0.000 0.000 0.271 178 R C -0.527 175.749 176.300 -0.040 0.000 0.993 178 R CA -0.935 55.156 56.100 -0.016 0.000 0.993 178 R CB 1.719 31.994 30.300 -0.042 0.000 1.155 178 R HN 0.693 nan 8.270 nan 0.000 0.486 179 A N 0.826 123.626 122.820 -0.034 0.000 2.407 179 A HA 0.542 4.862 4.320 -0.000 0.000 0.248 179 A C 0.938 178.471 177.584 -0.084 0.000 1.082 179 A CA 0.776 52.784 52.037 -0.048 0.000 0.785 179 A CB -0.046 18.936 19.000 -0.031 0.000 1.020 179 A HN 0.893 nan 8.150 nan 0.000 0.489 180 G N 0.789 109.526 108.800 -0.105 0.000 2.536 180 G HA2 -0.213 3.747 3.960 -0.000 0.000 0.277 180 G HA3 -0.213 3.747 3.960 -0.000 0.000 0.277 180 G C 0.060 174.842 174.900 -0.196 0.000 1.155 180 G CA 0.354 45.378 45.100 -0.126 0.000 0.960 180 G HN 0.994 nan 8.290 nan 0.000 0.544 181 E N 2.359 122.446 120.200 -0.187 0.000 2.257 181 E HA 0.339 4.689 4.350 -0.000 0.000 0.278 181 E C -0.060 176.343 176.600 -0.327 0.000 1.049 181 E CA -0.048 56.202 56.400 -0.250 0.000 0.876 181 E CB 0.196 29.796 29.700 -0.167 0.000 1.035 181 E HN 0.424 nan 8.360 nan 0.000 0.419 182 N N 3.057 121.404 118.700 -0.588 0.000 2.321 182 N HA 0.413 5.153 4.740 -0.000 0.000 0.290 182 N C -0.845 174.346 175.510 -0.533 0.000 1.212 182 N CA -0.738 51.938 53.050 -0.622 0.000 0.767 182 N CB 2.383 40.384 38.487 -0.809 0.000 1.494 182 N HN 0.254 nan 8.380 nan 0.000 0.479 183 R N 1.433 121.814 120.500 -0.197 0.000 2.532 183 R HA 0.462 4.802 4.340 -0.000 0.000 0.297 183 R C -1.332 175.036 176.300 0.114 0.000 0.984 183 R CA -0.516 55.576 56.100 -0.012 0.000 0.884 183 R CB 1.301 31.560 30.300 -0.069 0.000 1.182 183 R HN 0.512 nan 8.270 nan 0.000 0.442 184 L N 2.904 124.252 121.223 0.208 0.000 2.309 184 L HA 0.656 4.996 4.340 -0.000 0.000 0.282 184 L C -0.204 176.757 176.870 0.151 0.000 1.036 184 L CA -0.765 54.199 54.840 0.207 0.000 0.806 184 L CB 1.878 44.078 42.059 0.235 0.000 1.220 184 L HN 0.690 nan 8.230 nan 0.000 0.429 185 A N 3.780 126.694 122.820 0.157 0.000 2.410 185 A HA 0.676 4.996 4.320 -0.000 0.000 0.289 185 A C -0.899 177.000 177.584 0.526 0.000 1.200 185 A CA -0.439 51.632 52.037 0.057 0.000 0.751 185 A CB 1.193 19.624 19.000 -0.948 0.000 1.161 185 A HN 0.377 nan 8.150 nan 0.000 0.459 186 V N 3.318 123.693 119.914 0.767 0.000 2.357 186 V HA 0.479 4.599 4.120 -0.000 0.000 0.284 186 V C 0.120 176.690 176.094 0.793 0.000 1.018 186 V CA -0.321 62.405 62.300 0.710 0.000 0.841 186 V CB 1.252 33.293 31.823 0.364 0.000 0.991 186 V HN 0.946 nan 8.190 nan 0.000 0.437 187 M N 6.281 126.361 119.600 0.800 0.000 2.088 187 M HA 0.602 5.082 4.480 -0.000 0.000 0.346 187 M C -1.437 175.105 176.300 0.404 0.000 1.111 187 M CA -0.272 55.326 55.300 0.496 0.000 1.017 187 M CB 1.235 34.162 32.600 0.545 0.000 1.568 187 M HN 0.470 nan 8.290 nan 0.000 0.445 188 V N 6.723 126.809 119.914 0.288 0.000 2.472 188 V HA 0.528 4.648 4.120 -0.000 0.000 0.290 188 V C -0.182 176.049 176.094 0.229 0.000 1.037 188 V CA -0.769 61.694 62.300 0.272 0.000 0.908 188 V CB 1.630 33.618 31.823 0.274 0.000 0.985 188 V HN 0.836 nan 8.190 nan 0.000 0.454 189 L N 2.807 124.119 121.223 0.149 0.000 2.362 189 L HA 0.672 5.011 4.340 -0.000 0.000 0.271 189 L C 1.050 177.879 176.870 -0.068 0.000 1.002 189 L CA -0.809 54.047 54.840 0.026 0.000 0.818 189 L CB 1.776 43.746 42.059 -0.148 0.000 1.298 189 L HN 0.444 nan 8.230 nan 0.000 0.420 190 R N 1.554 121.910 120.500 -0.241 0.000 2.082 190 R HA 0.004 4.344 4.340 -0.000 0.000 0.228 190 R C -0.211 175.691 176.300 -0.663 0.000 1.140 190 R CA 1.770 57.427 56.100 -0.739 0.000 0.920 190 R CB 0.012 29.536 30.300 -1.294 0.000 0.828 190 R HN 0.628 nan 8.270 nan 0.000 0.430 191 W N 0.360 121.719 121.300 0.098 0.000 2.375 191 W HA 0.298 4.958 4.660 -0.000 0.000 0.336 191 W C 0.142 176.779 176.519 0.197 0.000 1.160 191 W CA -0.693 56.722 57.345 0.117 0.000 1.266 191 W CB 1.063 30.593 29.460 0.116 0.000 1.195 191 W HN 0.141 nan 8.180 nan 0.000 0.599 192 S N -1.175 114.819 115.700 0.489 0.000 2.636 192 S HA 0.161 4.630 4.470 -0.000 0.000 0.268 192 S C 0.017 174.878 174.600 0.435 0.000 1.159 192 S CA -0.489 58.007 58.200 0.492 0.000 0.815 192 S CB 1.130 64.580 63.200 0.416 0.000 1.130 192 S HN 0.631 nan 8.310 nan 0.000 0.471 193 D N 0.799 121.451 120.400 0.419 0.000 2.178 193 D HA 0.036 4.676 4.640 -0.000 0.000 0.201 193 D C 1.898 178.489 176.300 0.485 0.000 0.980 193 D CA 1.305 55.581 54.000 0.460 0.000 0.842 193 D CB -0.837 40.117 40.800 0.257 0.000 0.948 193 D HN 0.733 nan 8.370 nan 0.000 0.472 194 G N 0.200 109.210 108.800 0.350 0.000 2.475 194 G HA2 -0.334 3.626 3.960 -0.000 0.000 0.220 194 G HA3 -0.334 3.626 3.960 -0.000 0.000 0.220 194 G C 1.741 176.818 174.900 0.294 0.000 1.125 194 G CA 1.051 46.329 45.100 0.296 0.000 0.755 194 G HN 0.338 nan 8.290 nan 0.000 0.565 195 S N 0.039 115.909 115.700 0.283 0.000 2.383 195 S HA -0.146 4.324 4.470 -0.000 0.000 0.229 195 S C 1.970 176.683 174.600 0.188 0.000 1.030 195 S CA 1.133 59.470 58.200 0.228 0.000 1.002 195 S CB -0.486 62.852 63.200 0.230 0.000 0.829 195 S HN 0.549 nan 8.310 nan 0.000 0.467 196 Y N 1.262 121.659 120.300 0.163 0.000 2.384 196 Y HA -0.011 4.539 4.550 -0.000 0.000 0.289 196 Y C 1.610 177.603 175.900 0.156 0.000 1.152 196 Y CA 0.686 58.804 58.100 0.030 0.000 1.258 196 Y CB -0.287 38.092 38.460 -0.134 0.000 0.979 196 Y HN 0.199 nan 8.280 nan 0.000 0.549 197 L N -0.044 121.366 121.223 0.313 0.000 2.700 197 L HA 0.125 4.465 4.340 -0.000 0.000 0.234 197 L C -0.071 176.937 176.870 0.229 0.000 1.156 197 L CA 0.367 55.349 54.840 0.235 0.000 0.946 197 L CB 0.001 42.195 42.059 0.224 0.000 1.216 197 L HN 0.194 nan 8.230 nan 0.000 0.493 198 E N -0.405 119.949 120.200 0.257 0.000 4.044 198 E HA 0.044 4.394 4.350 -0.000 0.000 0.216 198 E C -0.468 176.248 176.600 0.193 0.000 1.104 198 E CA -0.091 56.444 56.400 0.224 0.000 1.383 198 E CB 0.511 30.337 29.700 0.209 0.000 1.195 198 E HN 0.004 nan 8.360 nan 0.000 0.442 199 D N 1.292 121.771 120.400 0.131 0.000 2.519 199 D HA 0.005 4.645 4.640 -0.000 0.000 0.238 199 D C -0.211 176.081 176.300 -0.013 0.000 1.192 199 D CA -0.043 53.924 54.000 -0.055 0.000 0.835 199 D CB 0.096 40.629 40.800 -0.444 0.000 0.975 199 D HN 0.078 nan 8.370 nan 0.000 0.490 200 Q N 0.563 120.443 119.800 0.133 0.000 2.349 200 Q HA 0.057 4.397 4.340 -0.000 0.000 0.287 200 Q C -0.115 175.978 176.000 0.155 0.000 1.044 200 Q CA 0.245 56.187 55.803 0.232 0.000 0.918 200 Q CB 0.515 29.531 28.738 0.463 0.000 1.242 200 Q HN 0.120 nan 8.270 nan 0.000 0.405 201 D N 3.429 123.933 120.400 0.174 0.000 2.441 201 D HA 0.206 4.846 4.640 -0.000 0.000 0.243 201 D C -0.665 175.753 176.300 0.197 0.000 1.257 201 D CA 0.058 54.120 54.000 0.103 0.000 1.027 201 D CB -0.319 40.522 40.800 0.068 0.000 1.084 201 D HN 0.470 nan 8.370 nan 0.000 0.514 202 M N 0.434 120.110 119.600 0.127 0.000 3.008 202 M HA 0.460 4.940 4.480 -0.000 0.000 0.271 202 M C -1.277 175.113 176.300 0.150 0.000 1.265 202 M CA -1.227 54.111 55.300 0.064 0.000 0.817 202 M CB 1.060 33.630 32.600 -0.050 0.000 1.638 202 M HN -0.035 nan 8.290 nan 0.000 0.479 203 W N 1.988 123.359 121.300 0.118 0.000 2.216 203 W HA 0.378 5.038 4.660 -0.000 0.000 0.326 203 W C 0.126 176.654 176.519 0.014 0.000 1.319 203 W CA -0.211 57.194 57.345 0.099 0.000 1.213 203 W CB 0.532 29.993 29.460 0.001 0.000 1.171 203 W HN 0.274 nan 8.180 nan 0.000 0.557 204 R N 4.969 125.651 120.500 0.303 0.000 2.196 204 R HA 0.424 4.764 4.340 -0.000 0.000 0.340 204 R C -0.130 176.203 176.300 0.057 0.000 1.043 204 R CA -0.183 56.020 56.100 0.172 0.000 0.883 204 R CB 0.245 30.692 30.300 0.245 0.000 1.078 204 R HN 0.581 nan 8.270 nan 0.000 0.462 205 M N 0.268 119.796 119.600 -0.119 0.000 2.708 205 M HA 0.525 5.005 4.480 -0.000 0.000 0.280 205 M C -0.243 175.752 176.300 -0.508 0.000 1.095 205 M CA -0.789 54.322 55.300 -0.315 0.000 0.822 205 M CB 2.185 34.585 32.600 -0.333 0.000 1.698 205 M HN 0.664 nan 8.290 nan 0.000 0.475 206 S N -1.305 113.969 115.700 -0.710 0.000 2.611 206 S HA 0.866 5.336 4.470 -0.000 0.000 0.270 206 S C -0.644 173.514 174.600 -0.736 0.000 1.131 206 S CA -0.307 57.395 58.200 -0.831 0.000 0.826 206 S CB 1.504 64.038 63.200 -1.111 0.000 1.095 206 S HN 1.470 nan 8.310 nan 0.000 0.461 207 G N 0.102 108.679 108.800 -0.371 0.000 2.316 207 G HA2 0.187 4.147 3.960 -0.000 0.000 0.349 207 G HA3 0.187 4.147 3.960 -0.000 0.000 0.349 207 G C -1.557 173.305 174.900 -0.062 0.000 1.274 207 G CA -0.574 44.528 45.100 0.003 0.000 1.018 207 G HN 1.202 nan 8.290 nan 0.000 0.486 208 I N 2.112 122.525 120.570 -0.262 0.000 2.316 208 I HA 0.296 4.466 4.170 -0.000 0.000 0.286 208 I C 1.003 176.989 176.117 -0.217 0.000 1.107 208 I CA -0.309 60.741 61.300 -0.416 0.000 1.219 208 I CB -0.058 37.484 38.000 -0.762 0.000 1.455 208 I HN 0.505 nan 8.210 nan 0.000 0.498 209 F N 3.721 123.528 119.950 -0.238 0.000 2.727 209 F HA 0.457 4.984 4.527 -0.000 0.000 0.302 209 F C 0.661 176.396 175.800 -0.108 0.000 1.097 209 F CA -0.517 57.382 58.000 -0.169 0.000 1.330 209 F CB 0.075 38.975 39.000 -0.166 0.000 1.084 209 F HN 0.132 nan 8.300 nan 0.000 0.578 210 R N 0.719 120.809 120.500 -0.684 0.000 2.867 210 R HA 0.225 4.565 4.340 -0.000 0.000 0.268 210 R C -0.889 175.262 176.300 -0.249 0.000 1.014 210 R CA -1.160 54.685 56.100 -0.425 0.000 0.946 210 R CB 1.063 31.049 30.300 -0.523 0.000 1.208 210 R HN 0.010 nan 8.270 nan 0.000 0.477 211 D N 0.669 120.995 120.400 -0.123 0.000 2.515 211 D HA 0.071 4.711 4.640 -0.000 0.000 0.230 211 D C -0.372 175.878 176.300 -0.083 0.000 1.181 211 D CA 0.535 54.491 54.000 -0.073 0.000 0.875 211 D CB 0.428 41.217 40.800 -0.020 0.000 1.213 211 D HN 0.011 nan 8.370 nan 0.000 0.478 212 V N 0.778 120.661 119.914 -0.050 0.000 2.588 212 V HA 0.639 4.759 4.120 -0.000 0.000 0.304 212 V C -0.239 175.815 176.094 -0.067 0.000 1.042 212 V CA -0.586 61.668 62.300 -0.077 0.000 0.877 212 V CB 1.772 33.615 31.823 0.035 0.000 0.996 212 V HN 0.742 nan 8.190 nan 0.000 0.425 213 S N 4.418 120.029 115.700 -0.147 0.000 2.656 213 S HA 0.825 5.295 4.470 -0.000 0.000 0.273 213 S C -1.232 173.326 174.600 -0.070 0.000 1.168 213 S CA -0.942 57.214 58.200 -0.073 0.000 0.817 213 S CB 1.960 65.143 63.200 -0.028 0.000 1.146 213 S HN 0.474 nan 8.310 nan 0.000 0.475 214 L N 1.323 122.566 121.223 0.034 0.000 2.386 214 L HA 0.680 5.020 4.340 -0.000 0.000 0.271 214 L C -1.638 175.341 176.870 0.182 0.000 0.993 214 L CA -0.797 54.123 54.840 0.134 0.000 0.819 214 L CB 1.833 44.059 42.059 0.277 0.000 1.294 214 L HN 0.593 nan 8.230 nan 0.000 0.414 215 L N 2.469 123.755 121.223 0.105 0.000 2.381 215 L HA 0.479 4.819 4.340 -0.000 0.000 0.274 215 L C -0.957 175.812 176.870 -0.168 0.000 0.988 215 L CA -0.254 54.583 54.840 -0.006 0.000 0.824 215 L CB 1.592 43.651 42.059 0.001 0.000 1.263 215 L HN 0.454 nan 8.230 nan 0.000 0.410 216 H N 4.174 122.921 119.070 -0.540 0.000 2.581 216 H HA 0.554 5.110 4.556 -0.000 0.000 0.308 216 H C -1.114 173.925 175.328 -0.480 0.000 1.040 216 H CA -0.128 55.429 56.048 -0.819 0.000 1.231 216 H CB 0.783 29.472 29.762 -1.787 0.000 1.396 216 H HN 0.576 nan 8.280 nan 0.000 0.467 217 K N 5.598 125.503 120.400 -0.825 0.000 2.375 217 K HA 0.389 4.709 4.320 -0.000 0.000 0.249 217 K C -2.724 173.516 176.600 -0.600 0.000 0.942 217 K CA -2.445 53.498 56.287 -0.574 0.000 0.806 217 K CB 1.837 34.107 32.500 -0.383 0.000 1.227 217 K HN 0.438 nan 8.250 nan 0.000 0.430 218 P HA -0.034 nan 4.420 nan 0.000 0.270 218 P C 0.337 177.499 177.300 -0.229 0.000 1.223 218 P CA -0.032 62.909 63.100 -0.264 0.000 0.785 218 P CB 0.442 32.040 31.700 -0.171 0.000 0.923 219 T N -2.002 112.453 114.554 -0.164 0.000 2.821 219 T HA -0.055 4.295 4.350 -0.000 0.000 0.267 219 T C 0.693 175.312 174.700 -0.134 0.000 1.046 219 T CA 1.312 63.333 62.100 -0.132 0.000 1.139 219 T CB -0.838 67.979 68.868 -0.086 0.000 0.871 219 T HN 0.337 nan 8.240 nan 0.000 0.454 220 T N 3.312 117.785 114.554 -0.134 0.000 2.801 220 T HA 0.480 4.830 4.350 -0.000 0.000 0.306 220 T C -0.345 174.255 174.700 -0.167 0.000 1.020 220 T CA -0.804 61.205 62.100 -0.152 0.000 0.948 220 T CB 0.852 69.635 68.868 -0.142 0.000 0.962 220 T HN 0.614 nan 8.240 nan 0.000 0.465 221 Q N 2.588 122.274 119.800 -0.191 0.000 2.615 221 Q HA 0.590 4.930 4.340 -0.000 0.000 0.298 221 Q C -1.086 174.789 176.000 -0.207 0.000 1.023 221 Q CA -1.193 54.484 55.803 -0.210 0.000 0.768 221 Q CB 1.332 29.911 28.738 -0.266 0.000 1.500 221 Q HN 0.434 nan 8.270 nan 0.000 0.441 222 I N 2.747 123.172 120.570 -0.241 0.000 2.505 222 I HA -0.026 4.144 4.170 -0.000 0.000 0.287 222 I C 0.984 176.901 176.117 -0.334 0.000 1.104 222 I CA 0.165 61.334 61.300 -0.219 0.000 1.387 222 I CB 0.967 38.810 38.000 -0.262 0.000 1.404 222 I HN 0.861 nan 8.210 nan 0.000 0.528 223 S N 3.138 118.754 115.700 -0.140 0.000 2.486 223 S HA 0.114 4.584 4.470 -0.000 0.000 0.220 223 S C 0.231 174.937 174.600 0.176 0.000 1.011 223 S CA -0.098 58.053 58.200 -0.083 0.000 0.921 223 S CB 0.251 63.430 63.200 -0.036 0.000 0.785 223 S HN 0.756 nan 8.310 nan 0.000 0.517 224 D N -0.601 119.952 120.400 0.256 0.000 2.766 224 D HA 0.433 5.073 4.640 -0.000 0.000 0.244 224 D C -1.704 174.787 176.300 0.319 0.000 1.198 224 D CA -0.738 53.495 54.000 0.388 0.000 0.739 224 D CB 0.988 41.918 40.800 0.216 0.000 1.379 224 D HN 0.256 nan 8.370 nan 0.000 0.437 225 F N -0.336 119.620 119.950 0.011 0.000 2.678 225 F HA 0.735 5.262 4.527 -0.000 0.000 0.308 225 F C -1.516 174.228 175.800 -0.094 0.000 1.118 225 F CA -0.800 57.100 58.000 -0.167 0.000 0.959 225 F CB 1.419 40.406 39.000 -0.021 0.000 1.305 225 F HN 0.317 nan 8.300 nan 0.000 0.443 226 H N 0.901 119.972 119.070 0.002 0.000 2.768 226 H HA 0.803 5.359 4.556 -0.000 0.000 0.371 226 H C -1.375 173.936 175.328 -0.029 0.000 1.151 226 H CA -1.533 54.441 56.048 -0.122 0.000 1.165 226 H CB 2.604 32.313 29.762 -0.089 0.000 1.722 226 H HN 0.620 nan 8.280 nan 0.000 0.543 227 V N 1.061 121.016 119.914 0.070 0.000 2.769 227 V HA 0.831 4.951 4.120 -0.000 0.000 0.312 227 V C -0.465 175.605 176.094 -0.039 0.000 1.061 227 V CA -0.643 61.664 62.300 0.013 0.000 0.931 227 V CB 1.624 33.432 31.823 -0.025 0.000 1.010 227 V HN 0.985 nan 8.190 nan 0.000 0.433 228 A N 2.129 124.907 122.820 -0.070 0.000 2.547 228 A HA 0.865 5.185 4.320 -0.000 0.000 0.297 228 A C -0.438 177.057 177.584 -0.149 0.000 1.056 228 A CA -0.431 51.553 52.037 -0.089 0.000 0.688 228 A CB 2.055 21.026 19.000 -0.049 0.000 1.282 228 A HN 0.940 nan 8.150 nan 0.000 0.400 229 T N -0.132 114.323 114.554 -0.165 0.000 2.829 229 T HA 0.811 5.160 4.350 -0.000 0.000 0.280 229 T C -0.363 174.149 174.700 -0.313 0.000 0.999 229 T CA -0.707 61.226 62.100 -0.279 0.000 0.983 229 T CB 1.589 70.254 68.868 -0.339 0.000 0.968 229 T HN 0.704 nan 8.240 nan 0.000 0.446 230 R N 1.382 121.581 120.500 -0.502 0.000 2.750 230 R HA 0.734 5.074 4.340 -0.000 0.000 0.281 230 R C -1.425 174.457 176.300 -0.696 0.000 0.972 230 R CA -0.761 55.108 56.100 -0.385 0.000 0.912 230 R CB 1.530 31.724 30.300 -0.176 0.000 1.187 230 R HN 0.609 nan 8.270 nan 0.000 0.464 231 F N 0.569 120.518 119.950 -0.001 0.000 2.631 231 F HA 0.387 4.914 4.527 -0.000 0.000 0.328 231 F C 0.516 176.206 175.800 -0.184 0.000 1.067 231 F CA -1.112 56.838 58.000 -0.084 0.000 0.969 231 F CB 0.854 39.741 39.000 -0.188 0.000 1.332 231 F HN 0.465 nan 8.300 nan 0.000 0.490 232 N N 0.189 118.894 118.700 0.008 0.000 2.463 232 N HA 0.064 4.804 4.740 -0.000 0.000 0.270 232 N C 0.408 175.781 175.510 -0.227 0.000 1.205 232 N CA -0.159 52.844 53.050 -0.078 0.000 0.974 232 N CB 0.633 39.097 38.487 -0.038 0.000 1.197 232 N HN 0.730 nan 8.380 nan 0.000 0.504 233 D N -0.594 119.706 120.400 -0.167 0.000 2.254 233 D HA -0.272 4.368 4.640 -0.000 0.000 0.201 233 D C 0.373 176.535 176.300 -0.230 0.000 0.998 233 D CA 1.696 55.582 54.000 -0.189 0.000 0.885 233 D CB -0.361 40.395 40.800 -0.073 0.000 0.915 233 D HN 0.751 nan 8.370 nan 0.000 0.460 234 D N -1.949 118.357 120.400 -0.156 0.000 2.469 234 D HA 0.013 4.653 4.640 -0.000 0.000 0.215 234 D C 0.256 176.675 176.300 0.198 0.000 1.154 234 D CA -0.818 53.203 54.000 0.036 0.000 0.832 234 D CB -1.046 39.804 40.800 0.083 0.000 1.008 234 D HN 0.216 nan 8.370 nan 0.000 0.506 235 F N 0.462 120.467 119.950 0.092 0.000 2.988 235 F HA -0.283 4.244 4.527 -0.000 0.000 0.287 235 F C 1.651 177.523 175.800 0.120 0.000 0.781 235 F CA 0.721 58.793 58.000 0.120 0.000 1.221 235 F CB -2.472 36.501 39.000 -0.044 0.000 1.392 235 F HN 0.202 nan 8.300 nan 0.000 0.425 236 S N -0.350 115.458 115.700 0.179 0.000 2.528 236 S HA 0.183 4.653 4.470 -0.000 0.000 0.219 236 S C 0.646 175.300 174.600 0.090 0.000 0.985 236 S CA 0.063 58.337 58.200 0.123 0.000 0.914 236 S CB 0.386 63.632 63.200 0.077 0.000 0.776 236 S HN 0.349 nan 8.310 nan 0.000 0.526 237 R N 0.456 121.018 120.500 0.103 0.000 2.566 237 R HA 0.790 5.130 4.340 -0.000 0.000 0.271 237 R C -1.227 175.096 176.300 0.037 0.000 1.071 237 R CA -0.289 55.835 56.100 0.040 0.000 0.915 237 R CB 1.256 31.556 30.300 0.001 0.000 1.228 237 R HN 0.176 nan 8.270 nan 0.000 0.449 238 A N 1.336 124.118 122.820 -0.064 0.000 2.435 238 A HA 0.828 5.148 4.320 -0.000 0.000 0.296 238 A C -1.057 176.433 177.584 -0.156 0.000 1.147 238 A CA -0.789 51.125 52.037 -0.206 0.000 0.775 238 A CB 2.157 21.013 19.000 -0.241 0.000 1.340 238 A HN 0.318 nan 8.150 nan 0.000 0.427 239 V N 1.328 121.122 119.914 -0.200 0.000 2.482 239 V HA 0.374 4.494 4.120 -0.000 0.000 0.295 239 V C -1.079 174.960 176.094 -0.092 0.000 1.026 239 V CA -0.447 61.784 62.300 -0.115 0.000 0.856 239 V CB 1.346 33.103 31.823 -0.110 0.000 1.001 239 V HN 0.801 nan 8.190 nan 0.000 0.424 240 L N 5.319 126.525 121.223 -0.029 0.000 2.276 240 L HA 0.605 4.945 4.340 -0.000 0.000 0.286 240 L C -0.027 176.807 176.870 -0.061 0.000 1.061 240 L CA 0.239 55.048 54.840 -0.052 0.000 0.807 240 L CB 1.036 43.089 42.059 -0.009 0.000 1.177 240 L HN 0.868 nan 8.230 nan 0.000 0.429 241 E N 4.843 125.000 120.200 -0.070 0.000 2.218 241 E HA 0.760 5.110 4.350 -0.000 0.000 0.263 241 E C -1.777 174.809 176.600 -0.024 0.000 0.879 241 E CA -0.817 55.555 56.400 -0.047 0.000 0.762 241 E CB 1.551 31.221 29.700 -0.050 0.000 1.166 241 E HN 0.832 nan 8.360 nan 0.000 0.415 242 A N 4.281 127.093 122.820 -0.014 0.000 2.343 242 A HA 0.472 4.792 4.320 -0.000 0.000 0.316 242 A C -0.889 176.687 177.584 -0.013 0.000 1.104 242 A CA -0.733 51.315 52.037 0.017 0.000 0.768 242 A CB 1.371 20.391 19.000 0.034 0.000 1.213 242 A HN 0.775 nan 8.150 nan 0.000 0.456 243 E N 2.210 122.401 120.200 -0.016 0.000 2.187 243 E HA 0.615 4.965 4.350 -0.000 0.000 0.268 243 E C -1.669 174.859 176.600 -0.120 0.000 0.896 243 E CA -0.528 55.819 56.400 -0.088 0.000 0.766 243 E CB 1.692 31.334 29.700 -0.097 0.000 1.142 243 E HN 0.383 nan 8.360 nan 0.000 0.408 244 V N 3.980 123.829 119.914 -0.108 0.000 2.604 244 V HA 0.357 4.476 4.120 -0.000 0.000 0.305 244 V C -0.574 175.527 176.094 0.011 0.000 1.043 244 V CA -0.827 61.441 62.300 -0.052 0.000 0.888 244 V CB 1.694 33.459 31.823 -0.097 0.000 0.995 244 V HN 0.748 nan 8.190 nan 0.000 0.429 245 Q N 4.170 124.011 119.800 0.069 0.000 2.365 245 Q HA 0.833 5.173 4.340 -0.000 0.000 0.269 245 Q C -0.830 175.256 176.000 0.143 0.000 1.061 245 Q CA -0.823 55.057 55.803 0.128 0.000 0.816 245 Q CB 2.820 31.571 28.738 0.022 0.000 1.325 245 Q HN 0.856 nan 8.270 nan 0.000 0.446 246 M N -0.881 118.781 119.600 0.104 0.000 2.662 246 M HA 0.776 5.256 4.480 -0.000 0.000 0.310 246 M C -1.313 174.895 176.300 -0.153 0.000 1.204 246 M CA -0.505 54.739 55.300 -0.093 0.000 0.891 246 M CB 2.114 34.482 32.600 -0.387 0.000 1.732 246 M HN 0.550 nan 8.290 nan 0.000 0.467 247 C N 1.514 120.712 119.300 -0.170 0.000 2.563 247 C HA 1.017 5.477 4.460 -0.000 0.000 0.314 247 C C 0.559 175.445 174.990 -0.174 0.000 1.199 247 C CA 0.943 59.873 59.018 -0.147 0.000 1.564 247 C CB 0.932 28.602 27.740 -0.117 0.000 2.173 247 C HN 1.304 nan 8.230 nan 0.000 0.485 248 G N 3.174 111.883 108.800 -0.151 0.000 2.265 248 G HA2 0.080 4.040 3.960 -0.000 0.000 0.246 248 G HA3 0.080 4.040 3.960 -0.000 0.000 0.246 248 G C -1.209 173.602 174.900 -0.148 0.000 1.299 248 G CA -0.483 44.529 45.100 -0.147 0.000 1.117 248 G HN 0.744 nan 8.290 nan 0.000 0.485 249 E N 0.442 120.555 120.200 -0.146 0.000 2.044 249 E HA 0.587 4.937 4.350 -0.000 0.000 0.282 249 E C 0.339 176.825 176.600 -0.190 0.000 1.031 249 E CA -0.401 55.921 56.400 -0.131 0.000 0.824 249 E CB 0.603 30.252 29.700 -0.084 0.000 1.076 249 E HN 0.523 nan 8.360 nan 0.000 0.395 250 L N 5.308 126.417 121.223 -0.190 0.000 2.410 250 L HA 0.321 4.661 4.340 -0.000 0.000 0.273 250 L C -0.004 176.747 176.870 -0.198 0.000 1.144 250 L CA 0.115 54.811 54.840 -0.239 0.000 0.863 250 L CB 0.212 42.148 42.059 -0.205 0.000 1.140 250 L HN 0.487 nan 8.230 nan 0.000 0.463 251 R N 2.577 122.903 120.500 -0.291 0.000 2.626 251 R HA 0.141 4.481 4.340 -0.000 0.000 0.274 251 R C -0.070 176.038 176.300 -0.321 0.000 1.031 251 R CA -0.620 55.304 56.100 -0.294 0.000 0.898 251 R CB 1.665 31.606 30.300 -0.599 0.000 1.222 251 R HN 0.685 nan 8.270 nan 0.000 0.455 252 D N 1.385 121.730 120.400 -0.090 0.000 2.384 252 D HA -0.157 4.483 4.640 -0.000 0.000 0.222 252 D C 0.860 177.179 176.300 0.031 0.000 0.976 252 D CA 1.164 55.161 54.000 -0.005 0.000 0.915 252 D CB 0.003 40.846 40.800 0.071 0.000 0.896 252 D HN 0.688 nan 8.370 nan 0.000 0.523 253 Y N -0.601 119.699 120.300 0.001 0.000 2.468 253 Y HA 0.392 4.942 4.550 -0.000 0.000 0.268 253 Y C 0.857 176.753 175.900 -0.006 0.000 1.177 253 Y CA -0.948 57.154 58.100 0.003 0.000 1.265 253 Y CB -0.277 38.186 38.460 0.006 0.000 1.103 253 Y HN -0.236 nan 8.280 nan 0.000 0.522 254 L N 2.932 123.945 121.223 -0.349 0.000 2.397 254 L HA 0.392 4.732 4.340 -0.000 0.000 0.271 254 L C 0.190 176.996 176.870 -0.106 0.000 1.148 254 L CA -0.188 54.511 54.840 -0.235 0.000 0.825 254 L CB 0.624 42.543 42.059 -0.234 0.000 1.117 254 L HN 0.242 nan 8.230 nan 0.000 0.456 255 R N 2.037 122.381 120.500 -0.261 0.000 2.799 255 R HA 0.761 5.101 4.340 -0.000 0.000 0.270 255 R C -1.504 174.490 176.300 -0.511 0.000 1.010 255 R CA -0.839 55.026 56.100 -0.391 0.000 0.916 255 R CB 2.370 32.389 30.300 -0.468 0.000 1.228 255 R HN 0.288 nan 8.270 nan 0.000 0.469 256 V N 0.659 120.372 119.914 -0.335 0.000 2.760 256 V HA 0.517 4.637 4.120 -0.000 0.000 0.309 256 V C -0.613 175.471 176.094 -0.016 0.000 1.077 256 V CA -0.627 61.554 62.300 -0.198 0.000 0.910 256 V CB 2.410 34.039 31.823 -0.322 0.000 1.008 256 V HN 0.783 nan 8.190 nan 0.000 0.424 257 T N 3.437 118.052 114.554 0.102 0.000 2.881 257 T HA 0.672 5.022 4.350 -0.000 0.000 0.290 257 T C -0.851 173.860 174.700 0.019 0.000 1.000 257 T CA -0.492 61.662 62.100 0.089 0.000 0.978 257 T CB 1.863 70.820 68.868 0.147 0.000 0.997 257 T HN 0.370 nan 8.240 nan 0.000 0.443 258 V N 3.297 123.206 119.914 -0.009 0.000 2.531 258 V HA 0.695 4.815 4.120 -0.000 0.000 0.301 258 V C -0.337 175.749 176.094 -0.013 0.000 1.034 258 V CA -0.839 61.453 62.300 -0.015 0.000 0.865 258 V CB 1.809 33.612 31.823 -0.034 0.000 0.995 258 V HN 1.065 nan 8.190 nan 0.000 0.424 259 S N 5.197 120.912 115.700 0.025 0.000 2.526 259 S HA 0.841 5.311 4.470 -0.000 0.000 0.293 259 S C -1.071 173.532 174.600 0.004 0.000 1.092 259 S CA -0.748 57.431 58.200 -0.036 0.000 0.980 259 S CB 2.320 65.544 63.200 0.040 0.000 1.048 259 S HN 0.459 nan 8.310 nan 0.000 0.483 260 L N 2.227 123.341 121.223 -0.182 0.000 2.322 260 L HA 0.746 5.086 4.340 -0.000 0.000 0.281 260 L C -1.808 174.939 176.870 -0.206 0.000 1.014 260 L CA -0.439 54.377 54.840 -0.040 0.000 0.815 260 L CB 0.730 42.780 42.059 -0.015 0.000 1.247 260 L HN 0.880 nan 8.230 nan 0.000 0.421 261 W N 3.085 124.485 121.300 0.166 0.000 2.819 261 W HA 0.559 5.219 4.660 -0.000 0.000 0.337 261 W C -0.553 176.098 176.519 0.220 0.000 1.077 261 W CA -0.586 56.851 57.345 0.153 0.000 1.226 261 W CB 1.571 31.073 29.460 0.070 0.000 1.419 261 W HN 0.420 nan 8.180 nan 0.000 0.502 262 Q N 2.422 122.463 119.800 0.402 0.000 2.721 262 Q HA 0.490 4.830 4.340 -0.000 0.000 0.257 262 Q C 0.732 176.816 176.000 0.139 0.000 1.070 262 Q CA 0.638 56.532 55.803 0.152 0.000 0.910 262 Q CB 0.317 29.108 28.738 0.088 0.000 1.163 262 Q HN 0.729 nan 8.270 nan 0.000 0.501 263 G N 2.328 111.203 108.800 0.125 0.000 2.675 263 G HA2 -0.401 3.559 3.960 -0.000 0.000 0.312 263 G HA3 -0.401 3.559 3.960 -0.000 0.000 0.312 263 G C 0.778 175.753 174.900 0.124 0.000 1.186 263 G CA 0.403 45.547 45.100 0.074 0.000 0.965 263 G HN 0.518 nan 8.290 nan 0.000 0.548 264 E N 1.376 121.649 120.200 0.123 0.000 2.230 264 E HA 0.193 4.543 4.350 -0.000 0.000 0.192 264 E C 1.506 178.313 176.600 0.345 0.000 0.987 264 E CA 1.033 57.522 56.400 0.149 0.000 0.841 264 E CB -0.308 29.442 29.700 0.084 0.000 0.783 264 E HN 0.492 nan 8.360 nan 0.000 0.481 265 T N 1.249 115.989 114.554 0.310 0.000 2.856 265 T HA 0.175 4.525 4.350 -0.000 0.000 0.292 265 T C 0.043 174.861 174.700 0.196 0.000 0.980 265 T CA -0.366 61.888 62.100 0.256 0.000 1.091 265 T CB 1.449 70.384 68.868 0.110 0.000 0.936 265 T HN -0.061 nan 8.240 nan 0.000 0.503 266 Q N 2.755 122.398 119.800 -0.260 0.000 2.322 266 Q HA 0.286 4.626 4.340 -0.000 0.000 0.256 266 Q C 0.446 176.177 176.000 -0.449 0.000 0.960 266 Q CA -0.450 54.758 55.803 -0.990 0.000 0.934 266 Q CB 0.924 28.686 28.738 -1.627 0.000 1.200 266 Q HN 0.618 nan 8.270 nan 0.000 0.435 267 V N 1.848 121.557 119.914 -0.341 0.000 2.825 267 V HA 0.380 4.500 4.120 -0.000 0.000 0.246 267 V C 0.506 176.495 176.094 -0.176 0.000 1.068 267 V CA 0.812 63.020 62.300 -0.152 0.000 1.088 267 V CB -0.193 31.628 31.823 -0.004 0.000 0.733 267 V HN 0.718 nan 8.190 nan 0.000 0.468 268 A N -1.113 121.559 122.820 -0.246 0.000 2.594 268 A HA 0.744 5.064 4.320 -0.000 0.000 0.296 268 A C -0.809 176.652 177.584 -0.206 0.000 1.056 268 A CA -0.004 51.921 52.037 -0.187 0.000 0.693 268 A CB 1.663 20.591 19.000 -0.121 0.000 1.278 268 A HN 0.055 nan 8.150 nan 0.000 0.408 269 S N -0.953 114.657 115.700 -0.151 0.000 2.588 269 S HA 0.911 5.381 4.470 -0.000 0.000 0.275 269 S C -0.411 174.143 174.600 -0.077 0.000 1.130 269 S CA 0.128 58.257 58.200 -0.119 0.000 0.855 269 S CB 1.989 65.115 63.200 -0.125 0.000 1.116 269 S HN 2.264 nan 8.310 nan 0.000 0.472 270 G N 1.161 109.928 108.800 -0.055 0.000 2.759 270 G HA2 0.590 4.550 3.960 -0.000 0.000 0.297 270 G HA3 0.590 4.550 3.960 -0.000 0.000 0.297 270 G C -1.518 173.365 174.900 -0.028 0.000 1.434 270 G CA -0.361 44.713 45.100 -0.044 0.000 0.980 270 G HN 0.666 nan 8.290 nan 0.000 0.531 271 T N -0.135 114.406 114.554 -0.021 0.000 2.893 271 T HA 0.903 5.253 4.350 -0.000 0.000 0.293 271 T C -0.198 174.481 174.700 -0.034 0.000 1.027 271 T CA 0.146 62.245 62.100 -0.001 0.000 0.988 271 T CB 1.838 70.738 68.868 0.052 0.000 1.043 271 T HN 1.765 nan 8.240 nan 0.000 0.461 272 A N 3.148 125.925 122.820 -0.072 0.000 2.566 272 A HA 0.905 5.225 4.320 -0.000 0.000 0.290 272 A C -3.243 174.244 177.584 -0.161 0.000 1.071 272 A CA -1.385 50.591 52.037 -0.102 0.000 0.658 272 A CB 1.115 20.045 19.000 -0.117 0.000 1.285 272 A HN 0.533 nan 8.150 nan 0.000 0.427 273 P HA 0.670 nan 4.420 nan 0.000 0.289 273 P C -0.739 176.493 177.300 -0.113 0.000 1.293 273 P CA -0.490 62.562 63.100 -0.080 0.000 0.897 273 P CB 0.514 32.209 31.700 -0.009 0.000 1.166 274 F N 0.610 120.511 119.950 -0.083 0.000 2.535 274 F HA 0.427 4.954 4.527 -0.000 0.000 0.332 274 F C 1.610 177.389 175.800 -0.035 0.000 1.208 274 F CA 1.813 59.776 58.000 -0.062 0.000 1.330 274 F CB -0.267 38.690 39.000 -0.072 0.000 1.167 274 F HN 0.625 nan 8.300 nan 0.000 0.597 275 G N 0.836 109.754 108.800 0.197 0.000 3.438 275 G HA2 0.380 4.340 3.960 -0.000 0.000 0.684 275 G HA3 0.380 4.340 3.960 -0.000 0.000 0.684 275 G C -0.471 174.469 174.900 0.067 0.000 1.192 275 G CA -0.782 44.389 45.100 0.119 0.000 1.013 275 G HN 1.060 nan 8.290 nan 0.000 0.530 276 G N 0.655 109.511 108.800 0.094 0.000 2.537 276 G HA2 0.755 4.715 3.960 -0.000 0.000 0.297 276 G HA3 0.755 4.715 3.960 -0.000 0.000 0.297 276 G C 0.074 175.006 174.900 0.054 0.000 1.310 276 G CA -0.332 44.816 45.100 0.079 0.000 1.027 276 G HN 0.888 nan 8.290 nan 0.000 0.505 277 E N -0.850 119.379 120.200 0.048 0.000 2.345 277 E HA 0.384 4.734 4.350 -0.000 0.000 0.259 277 E C -0.315 176.304 176.600 0.032 0.000 1.117 277 E CA -0.643 55.775 56.400 0.029 0.000 0.913 277 E CB 0.816 30.528 29.700 0.020 0.000 1.057 277 E HN 0.220 nan 8.360 nan 0.000 0.432 278 I N 1.614 122.192 120.570 0.013 0.000 2.710 278 I HA -0.055 4.115 4.170 -0.000 0.000 0.286 278 I C 1.037 177.159 176.117 0.009 0.000 1.181 278 I CA 0.684 61.985 61.300 0.001 0.000 1.430 278 I CB 0.188 38.185 38.000 -0.006 0.000 1.367 278 I HN 0.651 nan 8.210 nan 0.000 0.577 279 I N 0.895 121.464 120.570 -0.003 0.000 4.244 279 I HA 0.426 4.596 4.170 -0.000 0.000 0.318 279 I C -0.178 175.938 176.117 -0.003 0.000 1.282 279 I CA 0.171 61.480 61.300 0.014 0.000 1.276 279 I CB 0.357 38.390 38.000 0.054 0.000 1.183 279 I HN 0.607 nan 8.210 nan 0.000 0.431 280 D N -0.374 120.012 120.400 -0.024 0.000 2.946 280 D HA 0.189 4.829 4.640 -0.000 0.000 0.337 280 D C 0.370 176.654 176.300 -0.027 0.000 1.332 280 D CA -0.461 53.527 54.000 -0.021 0.000 0.935 280 D CB 0.342 41.129 40.800 -0.021 0.000 1.440 280 D HN -0.084 nan 8.370 nan 0.000 0.540 281 E N -0.871 119.315 120.200 -0.023 0.000 2.209 281 E HA -0.080 4.270 4.350 -0.000 0.000 0.196 281 E C 1.521 178.102 176.600 -0.031 0.000 0.993 281 E CA 1.131 57.518 56.400 -0.023 0.000 0.819 281 E CB -0.051 29.639 29.700 -0.017 0.000 0.745 281 E HN 0.253 nan 8.360 nan 0.000 0.477 282 R N -0.413 120.060 120.500 -0.045 0.000 2.300 282 R HA 0.265 4.605 4.340 -0.000 0.000 0.199 282 R C 0.955 177.214 176.300 -0.069 0.000 0.920 282 R CA 0.726 56.792 56.100 -0.056 0.000 1.046 282 R CB 0.764 31.025 30.300 -0.066 0.000 0.984 282 R HN 0.206 nan 8.270 nan 0.000 0.493 283 G N -0.375 108.383 108.800 -0.070 0.000 2.301 283 G HA2 -0.042 3.918 3.960 -0.000 0.000 0.194 283 G HA3 -0.042 3.918 3.960 -0.000 0.000 0.194 283 G C -0.394 174.448 174.900 -0.098 0.000 1.266 283 G CA -0.624 44.434 45.100 -0.070 0.000 1.210 283 G HN 0.426 nan 8.290 nan 0.000 0.524 284 G N -1.828 106.908 108.800 -0.106 0.000 3.251 284 G HA2 0.639 4.599 3.960 -0.000 0.000 0.248 284 G HA3 0.639 4.599 3.960 -0.000 0.000 0.248 284 G C -1.610 173.155 174.900 -0.226 0.000 1.320 284 G CA -0.747 44.283 45.100 -0.117 0.000 0.982 284 G HN 0.734 nan 8.290 nan 0.000 0.575 285 Y N 0.836 121.150 120.300 0.024 0.000 2.404 285 Y HA 0.460 5.010 4.550 -0.000 0.000 0.344 285 Y C 1.369 177.300 175.900 0.052 0.000 0.970 285 Y CA 0.024 58.145 58.100 0.035 0.000 1.180 285 Y CB 1.855 40.342 38.460 0.044 0.000 1.138 285 Y HN 0.534 nan 8.280 nan 0.000 0.510 286 A N 1.831 124.736 122.820 0.142 0.000 1.968 286 A HA -0.136 4.184 4.320 -0.000 0.000 0.217 286 A C 1.325 179.006 177.584 0.162 0.000 1.169 286 A CA 1.469 53.573 52.037 0.111 0.000 0.638 286 A CB -0.242 18.780 19.000 0.036 0.000 0.812 286 A HN 0.788 nan 8.150 nan 0.000 0.446 287 D N -0.602 119.898 120.400 0.168 0.000 2.460 287 D HA 0.168 4.808 4.640 -0.000 0.000 0.229 287 D C 0.388 176.903 176.300 0.358 0.000 1.170 287 D CA -0.073 53.989 54.000 0.104 0.000 0.827 287 D CB -0.084 40.718 40.800 0.003 0.000 0.973 287 D HN 0.399 nan 8.370 nan 0.000 0.496 288 R N -0.995 119.777 120.500 0.454 0.000 2.817 288 R HA 0.762 5.102 4.340 -0.000 0.000 0.268 288 R C -1.596 174.762 176.300 0.097 0.000 1.027 288 R CA -1.181 55.090 56.100 0.284 0.000 0.928 288 R CB 2.870 33.214 30.300 0.074 0.000 1.228 288 R HN -0.014 nan 8.270 nan 0.000 0.469 289 V N 0.119 119.958 119.914 -0.125 0.000 3.077 289 V HA 0.501 4.621 4.120 -0.000 0.000 0.299 289 V C -1.678 174.312 176.094 -0.174 0.000 1.276 289 V CA -0.256 61.906 62.300 -0.230 0.000 0.993 289 V CB 2.755 34.269 31.823 -0.515 0.000 1.076 289 V HN 0.819 nan 8.190 nan 0.000 0.434 290 T N 6.918 121.398 114.554 -0.123 0.000 2.841 290 T HA 0.744 5.094 4.350 -0.000 0.000 0.285 290 T C -1.056 173.594 174.700 -0.084 0.000 0.991 290 T CA -0.270 61.777 62.100 -0.089 0.000 0.966 290 T CB 1.225 70.063 68.868 -0.051 0.000 0.962 290 T HN 0.481 nan 8.240 nan 0.000 0.438 291 L N 2.811 123.988 121.223 -0.077 0.000 2.330 291 L HA 0.656 4.996 4.340 -0.000 0.000 0.271 291 L C 0.383 177.222 176.870 -0.052 0.000 1.013 291 L CA -0.707 54.093 54.840 -0.068 0.000 0.816 291 L CB 1.302 43.316 42.059 -0.074 0.000 1.287 291 L HN 0.396 nan 8.230 nan 0.000 0.435 292 R N 2.733 123.203 120.500 -0.050 0.000 2.435 292 R HA 0.635 4.975 4.340 -0.000 0.000 0.308 292 R C -1.482 174.789 176.300 -0.048 0.000 0.975 292 R CA -0.598 55.473 56.100 -0.048 0.000 0.867 292 R CB 1.360 31.633 30.300 -0.046 0.000 1.171 292 R HN 0.475 nan 8.270 nan 0.000 0.470 293 L N 2.761 123.956 121.223 -0.047 0.000 2.317 293 L HA 0.449 4.789 4.340 -0.000 0.000 0.281 293 L C 0.070 176.909 176.870 -0.050 0.000 1.024 293 L CA -0.915 53.896 54.840 -0.049 0.000 0.810 293 L CB 1.426 43.458 42.059 -0.046 0.000 1.240 293 L HN 0.471 nan 8.230 nan 0.000 0.427 294 N N 2.015 120.680 118.700 -0.059 0.000 2.473 294 N HA 0.481 5.221 4.740 -0.000 0.000 0.291 294 N C -0.986 174.474 175.510 -0.083 0.000 1.083 294 N CA -0.336 52.674 53.050 -0.066 0.000 0.951 294 N CB 2.898 41.349 38.487 -0.059 0.000 1.164 294 N HN 0.208 nan 8.380 nan 0.000 0.480 295 V N 1.864 121.713 119.914 -0.108 0.000 2.525 295 V HA 0.200 4.320 4.120 -0.000 0.000 0.299 295 V C -0.150 175.863 176.094 -0.136 0.000 1.034 295 V CA -0.852 61.353 62.300 -0.159 0.000 0.863 295 V CB 2.153 33.791 31.823 -0.308 0.000 0.999 295 V HN 0.521 nan 8.190 nan 0.000 0.423 296 E N 3.626 123.769 120.200 -0.095 0.000 2.301 296 E HA 0.292 4.642 4.350 -0.000 0.000 0.275 296 E C -0.016 176.553 176.600 -0.050 0.000 1.030 296 E CA -0.351 56.016 56.400 -0.056 0.000 0.852 296 E CB 0.724 30.404 29.700 -0.034 0.000 1.060 296 E HN 0.693 nan 8.360 nan 0.000 0.401 297 N N 1.309 120.000 118.700 -0.015 0.000 2.699 297 N HA -0.131 4.609 4.740 -0.000 0.000 0.256 297 N C -2.353 173.150 175.510 -0.012 0.000 0.993 297 N CA 0.395 53.450 53.050 0.009 0.000 0.759 297 N CB -1.406 37.091 38.487 0.016 0.000 0.906 297 N HN 0.331 nan 8.380 nan 0.000 0.541 298 P HA 0.103 nan 4.420 nan 0.000 0.270 298 P C 0.110 177.415 177.300 0.008 0.000 1.223 298 P CA 0.231 63.212 63.100 -0.199 0.000 0.785 298 P CB 0.706 32.047 31.700 -0.599 0.000 0.923 299 K N 1.399 121.891 120.400 0.154 0.000 2.234 299 K HA 0.368 4.688 4.320 -0.000 0.000 0.277 299 K C -0.156 176.602 176.600 0.264 0.000 1.038 299 K CA -0.313 56.078 56.287 0.173 0.000 0.888 299 K CB 0.192 32.767 32.500 0.125 0.000 1.091 299 K HN 0.368 nan 8.250 nan 0.000 0.467 300 L N 2.714 124.013 121.223 0.126 0.000 2.395 300 L HA 0.346 4.686 4.340 -0.000 0.000 0.269 300 L C -0.067 176.880 176.870 0.127 0.000 1.133 300 L CA -0.726 54.194 54.840 0.132 0.000 0.812 300 L CB 0.498 42.475 42.059 -0.138 0.000 1.125 300 L HN 0.618 nan 8.230 nan 0.000 0.452 301 W N 3.100 124.426 121.300 0.044 0.000 2.381 301 W HA 0.504 5.164 4.660 -0.000 0.000 0.329 301 W C -0.022 176.444 176.519 -0.089 0.000 1.157 301 W CA 0.106 57.458 57.345 0.013 0.000 1.240 301 W CB 1.386 30.903 29.460 0.095 0.000 1.199 301 W HN 0.629 nan 8.180 nan 0.000 0.579 302 S N 2.881 117.883 115.700 -1.162 0.000 2.595 302 S HA 0.561 5.031 4.470 -0.000 0.000 0.270 302 S C 0.027 173.840 174.600 -1.312 0.000 1.145 302 S CA -0.344 57.290 58.200 -0.944 0.000 0.825 302 S CB 0.898 63.812 63.200 -0.477 0.000 1.107 302 S HN 1.146 nan 8.310 nan 0.000 0.461 303 A N 0.800 123.055 122.820 -0.942 0.000 2.019 303 A HA 0.031 4.350 4.320 -0.000 0.000 0.219 303 A C 1.776 179.032 177.584 -0.547 0.000 1.164 303 A CA 1.684 53.150 52.037 -0.951 0.000 0.644 303 A CB -1.028 17.228 19.000 -1.241 0.000 0.805 303 A HN 0.892 nan 8.150 nan 0.000 0.449 304 E N -0.866 119.147 120.200 -0.312 0.000 2.072 304 E HA -0.004 4.346 4.350 -0.000 0.000 0.191 304 E C -0.218 176.223 176.600 -0.265 0.000 0.985 304 E CA 0.826 57.099 56.400 -0.210 0.000 0.801 304 E CB -0.029 29.680 29.700 0.014 0.000 0.750 304 E HN 0.620 nan 8.360 nan 0.000 0.452 305 I N 0.911 121.274 120.570 -0.346 0.000 2.576 305 I HA 0.142 4.312 4.170 -0.000 0.000 0.279 305 I C -2.615 173.221 176.117 -0.469 0.000 1.114 305 I CA -1.887 59.230 61.300 -0.305 0.000 1.076 305 I CB 2.251 40.129 38.000 -0.203 0.000 1.212 305 I HN -0.234 nan 8.210 nan 0.000 0.472 306 P HA 0.076 nan 4.420 nan 0.000 0.231 306 P C -0.497 176.775 177.300 -0.047 0.000 1.756 306 P CA -0.140 62.617 63.100 -0.571 0.000 0.990 306 P CB -0.371 31.225 31.700 -0.174 0.000 1.973 307 N N 1.577 120.267 118.700 -0.018 0.000 2.447 307 N HA 0.104 4.844 4.740 -0.000 0.000 0.263 307 N C 0.105 175.816 175.510 0.336 0.000 1.226 307 N CA 0.442 53.561 53.050 0.116 0.000 0.906 307 N CB 0.746 39.288 38.487 0.092 0.000 1.060 307 N HN 0.256 nan 8.380 nan 0.000 0.468 308 L N 2.197 123.531 121.223 0.185 0.000 2.323 308 L HA 0.527 4.867 4.340 -0.000 0.000 0.265 308 L C -0.842 176.087 176.870 0.099 0.000 1.012 308 L CA -0.873 54.111 54.840 0.240 0.000 0.820 308 L CB 1.211 43.386 42.059 0.194 0.000 1.334 308 L HN 0.408 nan 8.230 nan 0.000 0.427 309 Y N -0.159 120.268 120.300 0.213 0.000 2.605 309 Y HA 0.578 5.128 4.550 -0.000 0.000 0.343 309 Y C -0.361 175.643 175.900 0.175 0.000 1.036 309 Y CA -0.800 57.433 58.100 0.221 0.000 1.065 309 Y CB 2.111 40.757 38.460 0.310 0.000 1.288 309 Y HN 0.377 nan 8.280 nan 0.000 0.481 310 R N 1.135 121.868 120.500 0.387 0.000 2.562 310 R HA 0.876 5.216 4.340 -0.000 0.000 0.298 310 R C -1.534 174.955 176.300 0.316 0.000 0.961 310 R CA -0.678 55.582 56.100 0.266 0.000 0.881 310 R CB 1.205 31.582 30.300 0.129 0.000 1.159 310 R HN 0.799 nan 8.270 nan 0.000 0.450 311 A N 3.542 126.491 122.820 0.214 0.000 2.355 311 A HA 0.617 4.937 4.320 -0.000 0.000 0.317 311 A C -1.198 176.458 177.584 0.120 0.000 1.094 311 A CA -0.655 51.499 52.037 0.196 0.000 0.764 311 A CB 1.601 20.695 19.000 0.156 0.000 1.230 311 A HN 0.447 nan 8.150 nan 0.000 0.448 312 V N 2.019 122.008 119.914 0.126 0.000 2.487 312 V HA 0.517 4.637 4.120 -0.000 0.000 0.298 312 V C -0.439 175.640 176.094 -0.024 0.000 1.028 312 V CA -0.692 61.625 62.300 0.027 0.000 0.860 312 V CB 1.444 33.292 31.823 0.041 0.000 0.991 312 V HN 0.597 nan 8.190 nan 0.000 0.427 313 V N 4.805 124.642 119.914 -0.128 0.000 2.313 313 V HA 0.432 4.552 4.120 -0.000 0.000 0.278 313 V C -0.031 176.007 176.094 -0.093 0.000 1.017 313 V CA -0.484 61.712 62.300 -0.174 0.000 0.823 313 V CB 1.010 32.576 31.823 -0.428 0.000 1.010 313 V HN 1.039 nan 8.190 nan 0.000 0.443 314 E N 5.046 125.242 120.200 -0.006 0.000 2.165 314 E HA 0.565 4.915 4.350 -0.000 0.000 0.266 314 E C -1.065 175.638 176.600 0.172 0.000 0.889 314 E CA -1.055 55.392 56.400 0.079 0.000 0.756 314 E CB 2.711 32.465 29.700 0.091 0.000 1.131 314 E HN 0.405 nan 8.360 nan 0.000 0.411 315 L N 5.450 126.739 121.223 0.110 0.000 2.255 315 L HA 0.284 4.624 4.340 -0.000 0.000 0.289 315 L C -0.695 176.242 176.870 0.112 0.000 1.046 315 L CA 0.058 54.932 54.840 0.056 0.000 0.816 315 L CB -0.234 41.830 42.059 0.009 0.000 1.197 315 L HN 0.699 nan 8.230 nan 0.000 0.427 316 H N 1.168 120.255 119.070 0.028 0.000 2.942 316 H HA 0.611 5.167 4.556 -0.000 0.000 0.316 316 H C -0.910 174.453 175.328 0.059 0.000 1.323 316 H CA -0.328 55.743 56.048 0.038 0.000 1.144 316 H CB 0.886 30.668 29.762 0.034 0.000 1.866 316 H HN 0.462 nan 8.280 nan 0.000 0.545 317 T N -2.855 111.827 114.554 0.213 0.000 2.881 317 T HA 0.533 4.883 4.350 -0.000 0.000 0.278 317 T C 1.465 176.336 174.700 0.284 0.000 0.982 317 T CA -0.171 62.062 62.100 0.221 0.000 0.989 317 T CB 1.384 70.443 68.868 0.319 0.000 1.058 317 T HN 0.777 nan 8.240 nan 0.000 0.529 318 A N 1.033 123.994 122.820 0.235 0.000 1.940 318 A HA -0.104 4.216 4.320 -0.000 0.000 0.219 318 A C 1.855 179.539 177.584 0.166 0.000 1.176 318 A CA 2.094 54.245 52.037 0.191 0.000 0.631 318 A CB -1.425 17.670 19.000 0.159 0.000 0.814 318 A HN 1.046 nan 8.150 nan 0.000 0.446 319 D N -2.458 118.027 120.400 0.141 0.000 2.182 319 D HA 0.206 4.846 4.640 -0.000 0.000 0.201 319 D C 1.263 177.615 176.300 0.086 0.000 0.986 319 D CA 1.485 55.537 54.000 0.088 0.000 0.847 319 D CB -0.260 40.573 40.800 0.054 0.000 0.942 319 D HN 0.806 nan 8.370 nan 0.000 0.467 320 G N -1.476 107.403 108.800 0.132 0.000 2.227 320 G HA2 -0.185 3.775 3.960 -0.000 0.000 0.168 320 G HA3 -0.185 3.775 3.960 -0.000 0.000 0.168 320 G C 0.194 175.130 174.900 0.060 0.000 1.006 320 G CA -0.024 45.115 45.100 0.065 0.000 0.684 320 G HN 0.347 nan 8.290 nan 0.000 0.489 321 T N 1.914 116.537 114.554 0.115 0.000 2.814 321 T HA 0.473 4.823 4.350 -0.000 0.000 0.297 321 T C 0.246 175.033 174.700 0.144 0.000 0.956 321 T CA 0.007 62.168 62.100 0.102 0.000 1.123 321 T CB 1.567 70.492 68.868 0.094 0.000 0.902 321 T HN 0.604 nan 8.240 nan 0.000 0.528 322 L N 4.976 126.258 121.223 0.099 0.000 2.331 322 L HA 0.342 4.681 4.340 -0.000 0.000 0.278 322 L C 0.583 177.511 176.870 0.097 0.000 1.106 322 L CA 0.130 55.041 54.840 0.118 0.000 0.824 322 L CB 0.326 42.424 42.059 0.065 0.000 1.142 322 L HN 0.543 nan 8.230 nan 0.000 0.443 323 I N 3.120 123.748 120.570 0.096 0.000 2.494 323 I HA 0.159 4.329 4.170 -0.000 0.000 0.250 323 I C 0.624 176.753 176.117 0.021 0.000 1.112 323 I CA 0.930 62.256 61.300 0.044 0.000 1.438 323 I CB -0.298 37.710 38.000 0.013 0.000 1.111 323 I HN 0.869 nan 8.210 nan 0.000 0.431 324 E N -0.731 119.487 120.200 0.030 0.000 2.411 324 E HA 0.682 5.032 4.350 -0.000 0.000 0.279 324 E C -1.622 175.003 176.600 0.043 0.000 1.132 324 E CA -1.038 55.377 56.400 0.024 0.000 0.876 324 E CB 0.949 30.625 29.700 -0.040 0.000 1.335 324 E HN -0.071 nan 8.360 nan 0.000 0.436 325 A N 0.916 123.790 122.820 0.090 0.000 2.539 325 A HA 0.754 5.074 4.320 -0.000 0.000 0.296 325 A C -1.272 176.439 177.584 0.212 0.000 1.073 325 A CA -0.695 51.402 52.037 0.100 0.000 0.700 325 A CB 1.972 21.019 19.000 0.078 0.000 1.296 325 A HN 0.495 nan 8.150 nan 0.000 0.405 326 E N -0.533 119.721 120.200 0.091 0.000 2.393 326 E HA 0.783 5.133 4.350 -0.000 0.000 0.273 326 E C -0.624 175.992 176.600 0.027 0.000 0.918 326 E CA -0.472 56.040 56.400 0.187 0.000 0.773 326 E CB 2.486 32.225 29.700 0.065 0.000 1.275 326 E HN 1.190 nan 8.360 nan 0.000 0.451 327 A N 0.176 123.126 122.820 0.217 0.000 2.588 327 A HA 0.862 5.182 4.320 -0.000 0.000 0.290 327 A C -1.158 176.606 177.584 0.299 0.000 1.136 327 A CA -0.323 51.777 52.037 0.105 0.000 0.681 327 A CB 1.110 20.040 19.000 -0.116 0.000 1.282 327 A HN 0.950 nan 8.150 nan 0.000 0.421 328 C N -0.788 118.646 119.300 0.223 0.000 3.303 328 C HA 0.688 5.148 4.460 -0.000 0.000 0.340 328 C C -1.630 173.441 174.990 0.136 0.000 1.274 328 C CA -0.999 58.142 59.018 0.205 0.000 1.234 328 C CB 0.798 28.675 27.740 0.228 0.000 1.532 328 C HN 0.847 nan 8.230 nan 0.000 0.483 329 D N 0.969 121.426 120.400 0.096 0.000 2.255 329 D HA 0.542 5.182 4.640 -0.000 0.000 0.249 329 D C -0.475 175.859 176.300 0.057 0.000 1.078 329 D CA 0.137 54.195 54.000 0.096 0.000 0.896 329 D CB 2.113 42.970 40.800 0.095 0.000 1.194 329 D HN 0.522 nan 8.370 nan 0.000 0.429 330 V N 0.752 120.729 119.914 0.105 0.000 2.604 330 V HA 0.649 4.769 4.120 -0.000 0.000 0.305 330 V C 0.381 176.522 176.094 0.078 0.000 1.043 330 V CA -0.698 61.612 62.300 0.016 0.000 0.888 330 V CB 2.183 33.998 31.823 -0.013 0.000 0.995 330 V HN 0.667 nan 8.190 nan 0.000 0.429 331 G N 2.764 111.499 108.800 -0.108 0.000 2.609 331 G HA2 0.639 4.599 3.960 -0.000 0.000 0.308 331 G HA3 0.639 4.599 3.960 -0.000 0.000 0.308 331 G C -1.258 173.632 174.900 -0.017 0.000 1.369 331 G CA -0.407 44.704 45.100 0.019 0.000 0.958 331 G HN 0.404 nan 8.290 nan 0.000 0.499 332 F N 2.276 122.409 119.950 0.305 0.000 2.413 332 F HA 0.562 5.089 4.527 -0.000 0.000 0.359 332 F C 0.940 176.966 175.800 0.376 0.000 1.122 332 F CA -0.255 57.975 58.000 0.383 0.000 1.160 332 F CB 1.095 40.345 39.000 0.417 0.000 1.146 332 F HN 0.534 nan 8.300 nan 0.000 0.514 333 R N 1.236 122.024 120.500 0.480 0.000 2.664 333 R HA 0.483 4.822 4.340 -0.000 0.000 0.266 333 R C -1.722 174.720 176.300 0.237 0.000 1.046 333 R CA -1.113 55.120 56.100 0.221 0.000 0.885 333 R CB 1.537 31.988 30.300 0.252 0.000 1.254 333 R HN 0.467 nan 8.270 nan 0.000 0.465 334 E N 2.019 122.262 120.200 0.072 0.000 2.199 334 E HA 0.462 4.812 4.350 -0.000 0.000 0.265 334 E C -1.353 175.309 176.600 0.103 0.000 0.882 334 E CA -0.986 55.517 56.400 0.172 0.000 0.759 334 E CB 2.119 31.971 29.700 0.252 0.000 1.148 334 E HN 0.419 nan 8.360 nan 0.000 0.412 335 V N 5.525 125.498 119.914 0.099 0.000 2.384 335 V HA 0.563 4.683 4.120 -0.000 0.000 0.287 335 V C -0.212 175.918 176.094 0.060 0.000 1.020 335 V CA -0.530 61.802 62.300 0.054 0.000 0.850 335 V CB 1.126 32.962 31.823 0.021 0.000 0.987 335 V HN 0.749 nan 8.190 nan 0.000 0.436 336 R N 4.421 124.953 120.500 0.052 0.000 2.680 336 R HA 0.691 5.031 4.340 -0.000 0.000 0.269 336 R C -2.007 174.316 176.300 0.038 0.000 1.026 336 R CA -0.868 55.264 56.100 0.054 0.000 0.889 336 R CB 1.715 32.059 30.300 0.073 0.000 1.241 336 R HN 0.509 nan 8.270 nan 0.000 0.463 337 I N 1.970 122.562 120.570 0.037 0.000 2.312 337 I HA 0.305 4.475 4.170 -0.000 0.000 0.290 337 I C -0.512 175.624 176.117 0.031 0.000 1.008 337 I CA -0.278 61.039 61.300 0.028 0.000 1.226 337 I CB 1.615 39.633 38.000 0.030 0.000 1.371 337 I HN 0.704 nan 8.210 nan 0.000 0.468 338 E N 6.437 126.652 120.200 0.025 0.000 2.263 338 E HA 0.232 4.582 4.350 -0.000 0.000 0.268 338 E C -0.247 176.364 176.600 0.018 0.000 0.884 338 E CA -0.638 55.778 56.400 0.027 0.000 0.766 338 E CB 1.077 30.798 29.700 0.034 0.000 1.196 338 E HN 0.528 nan 8.360 nan 0.000 0.416 339 N N 3.367 122.078 118.700 0.018 0.000 2.727 339 N HA -0.236 4.504 4.740 -0.000 0.000 0.249 339 N C 0.469 175.984 175.510 0.008 0.000 1.048 339 N CA 2.091 55.149 53.050 0.013 0.000 0.714 339 N CB -1.227 37.267 38.487 0.012 0.000 0.959 339 N HN 1.023 nan 8.380 nan 0.000 0.544 340 G N -2.205 106.600 108.800 0.007 0.000 2.176 340 G HA2 -0.273 3.687 3.960 -0.000 0.000 0.253 340 G HA3 -0.273 3.687 3.960 -0.000 0.000 0.253 340 G C -0.073 174.822 174.900 -0.009 0.000 0.979 340 G CA 0.511 45.611 45.100 0.000 0.000 0.641 340 G HN 0.491 nan 8.290 nan 0.000 0.530 341 L N -0.018 121.201 121.223 -0.007 0.000 2.362 341 L HA 0.740 5.080 4.340 -0.000 0.000 0.271 341 L C -0.050 176.810 176.870 -0.016 0.000 1.002 341 L CA -1.351 53.478 54.840 -0.018 0.000 0.818 341 L CB 1.903 43.950 42.059 -0.019 0.000 1.298 341 L HN 0.089 nan 8.230 nan 0.000 0.420 342 L N 3.987 125.189 121.223 -0.035 0.000 2.278 342 L HA 0.501 4.841 4.340 -0.000 0.000 0.287 342 L C -0.914 175.933 176.870 -0.038 0.000 1.072 342 L CA 0.325 55.144 54.840 -0.035 0.000 0.819 342 L CB 0.478 42.503 42.059 -0.056 0.000 1.176 342 L HN 0.390 nan 8.230 nan 0.000 0.435 343 L N 5.941 127.157 121.223 -0.012 0.000 2.342 343 L HA 0.578 4.918 4.340 -0.000 0.000 0.271 343 L C -0.807 176.069 176.870 0.009 0.000 1.008 343 L CA -0.759 54.082 54.840 0.003 0.000 0.818 343 L CB 1.988 44.070 42.059 0.038 0.000 1.296 343 L HN 0.574 nan 8.230 nan 0.000 0.427 344 L N 3.321 124.558 121.223 0.024 0.000 2.372 344 L HA 0.482 4.822 4.340 -0.000 0.000 0.274 344 L C -0.417 176.494 176.870 0.069 0.000 0.988 344 L CA -0.258 54.609 54.840 0.045 0.000 0.833 344 L CB 0.971 43.046 42.059 0.028 0.000 1.236 344 L HN 0.659 nan 8.230 nan 0.000 0.410 345 N N 4.110 122.758 118.700 -0.087 0.000 2.727 345 N HA -0.223 4.517 4.740 -0.000 0.000 0.249 345 N C 0.816 176.124 175.510 -0.338 0.000 1.048 345 N CA 1.403 54.167 53.050 -0.477 0.000 0.714 345 N CB -1.071 37.012 38.487 -0.672 0.000 0.959 345 N HN 1.153 nan 8.380 nan 0.000 0.544 346 G N -2.156 106.667 108.800 0.038 0.000 2.284 346 G HA2 -0.331 3.629 3.960 -0.000 0.000 0.230 346 G HA3 -0.331 3.629 3.960 -0.000 0.000 0.230 346 G C 0.020 174.970 174.900 0.084 0.000 1.021 346 G CA 0.671 45.858 45.100 0.146 0.000 0.619 346 G HN 0.478 nan 8.290 nan 0.000 0.510 347 K N 1.233 121.672 120.400 0.065 0.000 2.139 347 K HA 0.597 4.917 4.320 -0.000 0.000 0.243 347 K C -3.040 173.546 176.600 -0.023 0.000 0.983 347 K CA -2.009 54.272 56.287 -0.011 0.000 0.890 347 K CB 2.207 34.625 32.500 -0.136 0.000 1.090 347 K HN 0.119 nan 8.250 nan 0.000 0.445 348 P HA 0.313 nan 4.420 nan 0.000 0.297 348 P C -0.239 177.003 177.300 -0.097 0.000 1.331 348 P CA -0.376 62.684 63.100 -0.067 0.000 0.803 348 P CB 0.685 32.348 31.700 -0.063 0.000 0.929 349 L N 3.409 124.569 121.223 -0.106 0.000 2.466 349 L HA 0.347 4.687 4.340 -0.000 0.000 0.257 349 L C 0.467 177.258 176.870 -0.132 0.000 1.189 349 L CA -0.616 54.148 54.840 -0.126 0.000 0.813 349 L CB 0.428 42.377 42.059 -0.183 0.000 1.118 349 L HN 0.234 nan 8.230 nan 0.000 0.471 350 L N 3.119 124.277 121.223 -0.108 0.000 2.485 350 L HA 0.398 4.738 4.340 -0.000 0.000 0.260 350 L C -0.604 176.212 176.870 -0.090 0.000 0.998 350 L CA -0.270 54.493 54.840 -0.128 0.000 0.883 350 L CB 0.865 42.880 42.059 -0.074 0.000 1.196 350 L HN 0.213 nan 8.230 nan 0.000 0.443 351 I N 4.317 124.767 120.570 -0.199 0.000 2.505 351 I HA 0.147 4.317 4.170 -0.000 0.000 0.287 351 I C 0.646 176.694 176.117 -0.115 0.000 1.104 351 I CA 0.315 61.501 61.300 -0.190 0.000 1.387 351 I CB 0.287 38.048 38.000 -0.397 0.000 1.404 351 I HN 0.532 nan 8.210 nan 0.000 0.528 352 R N 4.788 125.302 120.500 0.022 0.000 2.937 352 R HA 0.466 4.806 4.340 -0.000 0.000 0.264 352 R C 0.535 176.913 176.300 0.129 0.000 1.334 352 R CA -0.265 55.881 56.100 0.078 0.000 1.516 352 R CB 0.817 31.032 30.300 -0.142 0.000 1.187 352 R HN 0.782 nan 8.270 nan 0.000 0.609 353 G N 0.018 108.844 108.800 0.042 0.000 2.552 353 G HA2 0.628 4.588 3.960 -0.000 0.000 0.324 353 G HA3 0.628 4.588 3.960 -0.000 0.000 0.324 353 G C -1.278 173.926 174.900 0.507 0.000 1.217 353 G CA -0.508 44.645 45.100 0.087 0.000 0.989 353 G HN 0.228 nan 8.290 nan 0.000 0.490 354 V N -0.237 120.013 119.914 0.560 0.000 3.048 354 V HA 0.483 4.603 4.120 -0.000 0.000 0.303 354 V C -1.312 174.941 176.094 0.265 0.000 1.214 354 V CA -1.193 61.318 62.300 0.352 0.000 0.984 354 V CB 2.291 34.072 31.823 -0.070 0.000 1.054 354 V HN 0.774 nan 8.190 nan 0.000 0.430 355 N N 3.874 122.635 118.700 0.101 0.000 2.498 355 N HA 0.553 5.293 4.740 -0.000 0.000 0.287 355 N C -0.831 174.491 175.510 -0.313 0.000 1.097 355 N CA -0.439 52.538 53.050 -0.123 0.000 0.973 355 N CB 1.800 40.222 38.487 -0.108 0.000 1.153 355 N HN 0.686 nan 8.380 nan 0.000 0.472 356 R N 1.588 121.862 120.500 -0.377 0.000 2.522 356 R HA 0.247 4.587 4.340 -0.000 0.000 0.283 356 R C -1.197 174.866 176.300 -0.395 0.000 1.074 356 R CA -0.553 55.346 56.100 -0.334 0.000 0.925 356 R CB 1.020 31.130 30.300 -0.317 0.000 1.205 356 R HN 0.579 nan 8.270 nan 0.000 0.436 357 H N 2.001 120.943 119.070 -0.215 0.000 2.495 357 H HA 0.186 4.742 4.556 -0.000 0.000 0.350 357 H C -0.533 174.795 175.328 0.000 0.000 1.202 357 H CA -0.217 55.787 56.048 -0.074 0.000 1.322 357 H CB 1.645 31.415 29.762 0.014 0.000 1.544 357 H HN 0.567 nan 8.280 nan 0.000 0.565 358 E N 1.633 122.028 120.200 0.324 0.000 1.963 358 E HA 0.112 4.462 4.350 -0.000 0.000 0.274 358 E C -0.773 175.964 176.600 0.228 0.000 1.061 358 E CA -0.033 56.469 56.400 0.171 0.000 0.847 358 E CB 0.224 30.023 29.700 0.166 0.000 1.083 358 E HN 0.390 nan 8.360 nan 0.000 0.402 359 H N 1.562 120.681 119.070 0.082 0.000 2.947 359 H HA 0.235 4.791 4.556 -0.000 0.000 0.354 359 H C -1.661 173.703 175.328 0.060 0.000 1.085 359 H CA -0.693 55.396 56.048 0.069 0.000 1.253 359 H CB 1.081 30.878 29.762 0.058 0.000 1.757 359 H HN 0.367 nan 8.280 nan 0.000 0.523 360 H N 6.503 125.199 119.070 -0.623 0.000 2.744 360 H HA 0.202 4.758 4.556 -0.000 0.000 0.339 360 H C -2.224 172.660 175.328 -0.741 0.000 1.004 360 H CA -2.453 53.288 56.048 -0.511 0.000 1.257 360 H CB 2.493 32.090 29.762 -0.276 0.000 1.552 360 H HN 0.563 nan 8.280 nan 0.000 0.522 361 P HA -0.135 nan 4.420 nan 0.000 0.218 361 P C 1.207 178.378 177.300 -0.215 0.000 1.146 361 P CA 1.012 63.893 63.100 -0.365 0.000 0.813 361 P CB 0.749 32.264 31.700 -0.309 0.000 0.778 362 L N -2.125 119.108 121.223 0.018 0.000 2.349 362 L HA 0.105 4.445 4.340 -0.000 0.000 0.200 362 L C 2.464 179.272 176.870 -0.103 0.000 1.064 362 L CA 0.615 55.415 54.840 -0.065 0.000 0.821 362 L CB -0.758 41.155 42.059 -0.243 0.000 1.027 362 L HN -0.009 nan 8.230 nan 0.000 0.476 363 H N -0.308 118.732 119.070 -0.051 0.000 2.551 363 H HA 0.186 4.742 4.556 -0.000 0.000 0.266 363 H C 1.460 176.670 175.328 -0.197 0.000 0.977 363 H CA 0.133 56.033 56.048 -0.246 0.000 1.163 363 H CB 0.304 29.797 29.762 -0.448 0.000 1.381 363 H HN 0.447 nan 8.280 nan 0.000 0.581 364 G N 1.435 110.155 108.800 -0.134 0.000 2.523 364 G HA2 -0.383 3.577 3.960 -0.000 0.000 0.271 364 G HA3 -0.383 3.577 3.960 -0.000 0.000 0.271 364 G C 0.497 175.311 174.900 -0.144 0.000 1.146 364 G CA 0.242 45.208 45.100 -0.223 0.000 0.961 364 G HN 0.453 nan 8.290 nan 0.000 0.549 365 Q N 0.117 119.842 119.800 -0.125 0.000 2.247 365 Q HA 0.447 4.787 4.340 -0.000 0.000 0.205 365 Q C 0.297 176.331 176.000 0.058 0.000 0.896 365 Q CA -0.045 55.714 55.803 -0.075 0.000 0.950 365 Q CB 0.765 29.352 28.738 -0.252 0.000 1.054 365 Q HN 0.384 nan 8.270 nan 0.000 0.482 366 V N 1.826 121.777 119.914 0.062 0.000 2.432 366 V HA 0.234 4.354 4.120 -0.000 0.000 0.275 366 V C 0.140 176.272 176.094 0.063 0.000 1.043 366 V CA -0.203 62.154 62.300 0.096 0.000 0.925 366 V CB 1.035 32.869 31.823 0.019 0.000 0.985 366 V HN 0.325 nan 8.190 nan 0.000 0.466 367 M N 4.414 124.046 119.600 0.052 0.000 2.528 367 M HA 0.581 5.061 4.480 -0.000 0.000 0.318 367 M C -0.563 175.680 176.300 -0.095 0.000 1.195 367 M CA -0.547 54.742 55.300 -0.019 0.000 1.000 367 M CB 1.652 34.208 32.600 -0.073 0.000 1.615 367 M HN 0.965 nan 8.290 nan 0.000 0.469 368 D N -2.122 118.236 120.400 -0.070 0.000 2.655 368 D HA 0.235 4.875 4.640 -0.000 0.000 0.229 368 D C 0.249 176.540 176.300 -0.014 0.000 1.229 368 D CA -0.701 53.261 54.000 -0.063 0.000 0.807 368 D CB 1.422 42.219 40.800 -0.004 0.000 1.514 368 D HN 0.674 nan 8.370 nan 0.000 0.444 369 E N 0.317 120.518 120.200 0.001 0.000 2.082 369 E HA -0.431 3.919 4.350 -0.000 0.000 0.215 369 E C 1.590 178.244 176.600 0.090 0.000 1.048 369 E CA 2.173 58.611 56.400 0.063 0.000 0.869 369 E CB 0.025 29.774 29.700 0.083 0.000 0.773 369 E HN 0.581 nan 8.360 nan 0.000 0.466 370 Q N -0.654 119.197 119.800 0.085 0.000 2.047 370 Q HA -0.232 4.108 4.340 -0.000 0.000 0.211 370 Q C 2.365 178.429 176.000 0.107 0.000 1.005 370 Q CA 2.700 58.560 55.803 0.095 0.000 0.866 370 Q CB -0.432 28.363 28.738 0.095 0.000 0.938 370 Q HN 0.435 nan 8.270 nan 0.000 0.414 371 T N 1.186 115.811 114.554 0.118 0.000 2.622 371 T HA -0.215 4.135 4.350 -0.000 0.000 0.266 371 T C 1.950 176.733 174.700 0.139 0.000 1.047 371 T CA 1.774 63.954 62.100 0.134 0.000 1.159 371 T CB -0.318 68.643 68.868 0.155 0.000 0.863 371 T HN 0.277 nan 8.240 nan 0.000 0.422 372 M N 0.652 120.339 119.600 0.145 0.000 2.151 372 M HA -0.182 4.298 4.480 -0.000 0.000 0.256 372 M C 2.495 178.924 176.300 0.215 0.000 1.072 372 M CA 1.716 57.172 55.300 0.259 0.000 1.090 372 M CB -1.011 31.772 32.600 0.305 0.000 1.294 372 M HN 0.116 nan 8.290 nan 0.000 0.415 373 V N -0.098 119.890 119.914 0.123 0.000 2.392 373 V HA -0.312 3.808 4.120 -0.000 0.000 0.249 373 V C 2.301 178.395 176.094 0.000 0.000 1.059 373 V CA 2.032 64.338 62.300 0.010 0.000 1.051 373 V CB -0.966 30.881 31.823 0.041 0.000 0.658 373 V HN 0.545 nan 8.190 nan 0.000 0.455 374 Q N -0.267 119.577 119.800 0.074 0.000 2.045 374 Q HA -0.283 4.057 4.340 -0.000 0.000 0.206 374 Q C 2.137 178.214 176.000 0.128 0.000 0.991 374 Q CA 2.269 58.129 55.803 0.095 0.000 0.851 374 Q CB -0.184 28.626 28.738 0.121 0.000 0.911 374 Q HN 0.644 nan 8.270 nan 0.000 0.418 375 D N 0.243 120.747 120.400 0.172 0.000 2.106 375 D HA -0.198 4.442 4.640 -0.000 0.000 0.191 375 D C 1.902 178.184 176.300 -0.031 0.000 0.997 375 D CA 1.283 55.393 54.000 0.183 0.000 0.834 375 D CB -0.376 40.514 40.800 0.152 0.000 0.956 375 D HN 0.330 nan 8.370 nan 0.000 0.448 376 I N 0.604 121.134 120.570 -0.066 0.000 2.118 376 I HA -0.281 3.889 4.170 -0.000 0.000 0.241 376 I C 2.527 178.523 176.117 -0.202 0.000 1.070 376 I CA 0.876 62.035 61.300 -0.234 0.000 1.327 376 I CB -0.362 37.393 38.000 -0.408 0.000 1.034 376 I HN 0.024 nan 8.210 nan 0.000 0.405 377 L N 0.209 121.344 121.223 -0.147 0.000 2.042 377 L HA -0.253 4.087 4.340 -0.000 0.000 0.210 377 L C 2.624 179.558 176.870 0.107 0.000 1.076 377 L CA 1.367 56.203 54.840 -0.008 0.000 0.749 377 L CB -0.599 41.475 42.059 0.026 0.000 0.893 377 L HN 0.298 nan 8.230 nan 0.000 0.432 378 L N -0.927 120.384 121.223 0.146 0.000 1.989 378 L HA -0.278 4.062 4.340 -0.000 0.000 0.211 378 L C 2.760 179.788 176.870 0.264 0.000 1.071 378 L CA 1.600 56.605 54.840 0.275 0.000 0.749 378 L CB -0.407 41.941 42.059 0.481 0.000 0.890 378 L HN 0.325 nan 8.230 nan 0.000 0.431 379 M N -0.559 119.057 119.600 0.027 0.000 2.082 379 M HA -0.281 4.199 4.480 -0.000 0.000 0.258 379 M C 2.326 178.698 176.300 0.121 0.000 1.071 379 M CA 1.882 57.130 55.300 -0.087 0.000 1.103 379 M CB -0.557 31.780 32.600 -0.439 0.000 1.307 379 M HN 0.129 nan 8.290 nan 0.000 0.409 380 K N 0.239 120.611 120.400 -0.046 0.000 2.074 380 K HA -0.220 4.100 4.320 -0.000 0.000 0.209 380 K C 1.940 178.520 176.600 -0.033 0.000 1.048 380 K CA 1.651 57.805 56.287 -0.221 0.000 0.926 380 K CB -0.345 31.821 32.500 -0.556 0.000 0.713 380 K HN 0.536 nan 8.250 nan 0.000 0.444 381 Q N 0.172 120.116 119.800 0.240 0.000 2.291 381 Q HA -0.051 4.289 4.340 -0.000 0.000 0.205 381 Q C 0.861 177.147 176.000 0.476 0.000 0.970 381 Q CA 0.736 56.801 55.803 0.437 0.000 0.876 381 Q CB 0.064 29.028 28.738 0.376 0.000 0.935 381 Q HN 0.304 nan 8.270 nan 0.000 0.455 382 N N 0.845 119.794 118.700 0.415 0.000 2.320 382 N HA 0.052 4.792 4.740 -0.000 0.000 0.237 382 N C -0.685 174.973 175.510 0.246 0.000 1.129 382 N CA -0.010 53.286 53.050 0.411 0.000 0.854 382 N CB 0.618 39.416 38.487 0.518 0.000 1.083 382 N HN 0.166 nan 8.380 nan 0.000 0.504 383 N N 0.191 119.020 118.700 0.216 0.000 2.776 383 N HA -0.177 4.563 4.740 -0.000 0.000 0.249 383 N C -0.881 174.542 175.510 -0.144 0.000 1.111 383 N CA 0.840 53.928 53.050 0.064 0.000 0.711 383 N CB -1.771 36.636 38.487 -0.132 0.000 1.065 383 N HN 0.260 nan 8.380 nan 0.000 0.556 384 F N 0.988 120.952 119.950 0.024 0.000 2.399 384 F HA 0.386 4.913 4.527 -0.000 0.000 0.328 384 F C 1.752 177.547 175.800 -0.008 0.000 1.084 384 F CA -0.567 57.434 58.000 0.001 0.000 1.053 384 F CB 0.920 39.897 39.000 -0.038 0.000 1.209 384 F HN 0.048 nan 8.300 nan 0.000 0.502 385 N N 0.293 119.117 118.700 0.208 0.000 2.118 385 N HA 0.435 5.175 4.740 -0.000 0.000 0.226 385 N C -0.885 174.693 175.510 0.113 0.000 1.305 385 N CA 0.032 53.139 53.050 0.095 0.000 0.890 385 N CB 0.743 39.328 38.487 0.164 0.000 1.118 385 N HN 0.485 nan 8.380 nan 0.000 0.511 386 A N -0.437 122.513 122.820 0.216 0.000 2.606 386 A HA 0.783 5.103 4.320 -0.000 0.000 0.293 386 A C -1.708 176.101 177.584 0.376 0.000 1.082 386 A CA -0.595 51.627 52.037 0.309 0.000 0.685 386 A CB 1.727 20.958 19.000 0.385 0.000 1.284 386 A HN 0.374 nan 8.150 nan 0.000 0.408 387 V N 0.691 120.860 119.914 0.426 0.000 3.012 387 V HA 0.836 4.956 4.120 -0.000 0.000 0.307 387 V C -0.931 175.270 176.094 0.178 0.000 1.166 387 V CA -0.730 61.772 62.300 0.336 0.000 0.974 387 V CB 1.993 33.910 31.823 0.156 0.000 1.040 387 V HN 1.181 nan 8.190 nan 0.000 0.428 388 R N 4.486 124.937 120.500 -0.083 0.000 2.387 388 R HA 0.510 4.850 4.340 -0.000 0.000 0.314 388 R C -0.831 175.318 176.300 -0.251 0.000 0.958 388 R CA -0.484 55.409 56.100 -0.344 0.000 0.846 388 R CB 1.222 31.057 30.300 -0.775 0.000 1.147 388 R HN 0.858 nan 8.270 nan 0.000 0.447 389 C N 4.278 123.460 119.300 -0.197 0.000 3.183 389 C HA 0.105 4.565 4.460 -0.000 0.000 0.545 389 C C 0.550 175.244 174.990 -0.495 0.000 1.044 389 C CA -0.467 58.382 59.018 -0.283 0.000 1.117 389 C CB -2.140 25.542 27.740 -0.097 0.000 1.393 389 C HN 0.689 nan 8.230 nan 0.000 0.611 390 S N 1.493 116.773 115.700 -0.700 0.000 2.465 390 S HA 0.187 4.657 4.470 -0.000 0.000 0.280 390 S C -0.114 173.558 174.600 -1.547 0.000 1.232 390 S CA 0.108 57.592 58.200 -1.194 0.000 1.066 390 S CB 0.097 62.531 63.200 -1.277 0.000 0.929 390 S HN 0.739 nan 8.310 nan 0.000 0.494 391 H N 3.431 121.852 119.070 -1.082 0.000 2.597 391 H HA 0.297 4.853 4.556 -0.000 0.000 0.225 391 H C -1.191 173.994 175.328 -0.239 0.000 1.422 391 H CA -0.360 55.446 56.048 -0.403 0.000 1.335 391 H CB -0.099 29.635 29.762 -0.046 0.000 1.783 391 H HN 0.890 nan 8.280 nan 0.000 0.513 392 Y N -2.698 117.702 120.300 0.167 0.000 2.774 392 Y HA 0.438 4.988 4.550 -0.000 0.000 0.346 392 Y C -3.305 172.695 175.900 0.166 0.000 1.222 392 Y CA -3.040 55.166 58.100 0.175 0.000 1.088 392 Y CB 0.009 38.576 38.460 0.179 0.000 1.354 392 Y HN -0.109 nan 8.280 nan 0.000 0.455 393 P HA 0.221 nan 4.420 nan 0.000 0.271 393 P C -0.756 176.837 177.300 0.488 0.000 1.218 393 P CA 0.054 63.413 63.100 0.431 0.000 0.780 393 P CB 0.678 32.568 31.700 0.316 0.000 0.901 394 N N 0.156 119.156 118.700 0.500 0.000 2.491 394 N HA 0.111 4.851 4.740 -0.000 0.000 0.279 394 N C 0.005 175.764 175.510 0.416 0.000 1.236 394 N CA -0.624 52.621 53.050 0.326 0.000 0.982 394 N CB 0.386 38.815 38.487 -0.098 0.000 1.194 394 N HN 0.585 nan 8.380 nan 0.000 0.582 395 H N 2.208 121.389 119.070 0.184 0.000 3.046 395 H HA 0.027 4.583 4.556 -0.000 0.000 0.303 395 H C -1.717 173.815 175.328 0.340 0.000 1.002 395 H CA -1.121 55.045 56.048 0.197 0.000 1.460 395 H CB 0.910 30.739 29.762 0.112 0.000 1.493 395 H HN 0.419 nan 8.280 nan 0.000 0.559 396 P HA -0.282 nan 4.420 nan 0.000 0.219 396 P C 1.881 179.497 177.300 0.525 0.000 1.158 396 P CA 1.022 64.340 63.100 0.364 0.000 0.895 396 P CB 0.154 31.871 31.700 0.028 0.000 0.792 397 L N -1.179 120.421 121.223 0.628 0.000 2.081 397 L HA -0.140 4.200 4.340 -0.000 0.000 0.212 397 L C 2.414 179.532 176.870 0.414 0.000 1.080 397 L CA 1.669 56.820 54.840 0.518 0.000 0.754 397 L CB -1.429 40.939 42.059 0.516 0.000 0.893 397 L HN 0.086 nan 8.230 nan 0.000 0.433 398 W N -0.282 121.125 121.300 0.179 0.000 2.290 398 W HA -0.408 4.251 4.660 -0.000 0.000 0.328 398 W C 2.314 178.746 176.519 -0.145 0.000 1.272 398 W CA 2.270 59.568 57.345 -0.077 0.000 1.262 398 W CB -0.594 28.679 29.460 -0.312 0.000 1.151 398 W HN 0.285 nan 8.180 nan 0.000 0.473 399 Y N 0.708 120.986 120.300 -0.038 0.000 2.193 399 Y HA -0.283 4.267 4.550 -0.000 0.000 0.285 399 Y C 2.834 178.513 175.900 -0.368 0.000 1.166 399 Y CA 2.254 60.087 58.100 -0.444 0.000 1.181 399 Y CB -1.470 36.430 38.460 -0.934 0.000 0.976 399 Y HN -0.143 nan 8.280 nan 0.000 0.520 400 T N 0.569 115.161 114.554 0.064 0.000 2.708 400 T HA -0.147 4.203 4.350 -0.000 0.000 0.266 400 T C 2.040 176.775 174.700 0.059 0.000 1.037 400 T CA 1.379 63.569 62.100 0.150 0.000 1.146 400 T CB -0.571 68.434 68.868 0.228 0.000 0.865 400 T HN 0.231 nan 8.240 nan 0.000 0.435 401 L N 0.461 121.697 121.223 0.022 0.000 2.042 401 L HA -0.150 4.190 4.340 -0.000 0.000 0.210 401 L C 2.907 179.777 176.870 -0.000 0.000 1.076 401 L CA 1.068 55.944 54.840 0.060 0.000 0.749 401 L CB -0.776 41.298 42.059 0.026 0.000 0.893 401 L HN 0.388 nan 8.230 nan 0.000 0.432 402 C N -0.344 118.785 119.300 -0.285 0.000 2.425 402 C HA -0.151 4.309 4.460 -0.000 0.000 0.277 402 C C 2.447 177.450 174.990 0.022 0.000 1.280 402 C CA 0.389 59.252 59.018 -0.258 0.000 1.744 402 C CB -0.828 26.631 27.740 -0.468 0.000 1.989 402 C HN 0.546 nan 8.230 nan 0.000 0.491 403 D N 0.419 120.834 120.400 0.024 0.000 2.123 403 D HA -0.118 4.522 4.640 -0.000 0.000 0.196 403 D C 2.352 178.804 176.300 0.253 0.000 0.992 403 D CA 1.312 55.389 54.000 0.129 0.000 0.833 403 D CB -0.322 40.526 40.800 0.079 0.000 0.954 403 D HN 0.469 nan 8.370 nan 0.000 0.455 404 R N -0.852 119.704 120.500 0.094 0.000 2.075 404 R HA -0.019 4.321 4.340 -0.000 0.000 0.226 404 R C 2.317 178.529 176.300 -0.147 0.000 1.114 404 R CA 0.752 56.831 56.100 -0.036 0.000 0.972 404 R CB -0.332 29.856 30.300 -0.186 0.000 0.869 404 R HN 0.280 nan 8.270 nan 0.000 0.437 405 Y N -0.782 119.526 120.300 0.013 0.000 2.337 405 Y HA 0.130 4.680 4.550 -0.000 0.000 0.293 405 Y C 0.954 176.780 175.900 -0.123 0.000 1.123 405 Y CA 0.932 59.008 58.100 -0.039 0.000 1.201 405 Y CB 0.569 38.974 38.460 -0.092 0.000 1.011 405 Y HN 0.259 nan 8.280 nan 0.000 0.545 406 G N 1.045 109.865 108.800 0.033 0.000 2.943 406 G HA2 -0.119 3.841 3.960 -0.000 0.000 0.250 406 G HA3 -0.119 3.841 3.960 -0.000 0.000 0.250 406 G C -1.161 173.567 174.900 -0.286 0.000 0.996 406 G CA -0.631 44.349 45.100 -0.200 0.000 1.248 406 G HN 0.122 nan 8.290 nan 0.000 0.589 407 L N 0.958 122.080 121.223 -0.168 0.000 2.455 407 L HA 0.468 4.808 4.340 -0.000 0.000 0.264 407 L C -0.058 176.756 176.870 -0.094 0.000 0.968 407 L CA -1.221 53.476 54.840 -0.238 0.000 0.827 407 L CB 2.044 43.988 42.059 -0.192 0.000 1.317 407 L HN 0.438 nan 8.230 nan 0.000 0.407 408 Y N 2.063 122.461 120.300 0.164 0.000 2.359 408 Y HA 0.380 4.930 4.550 -0.000 0.000 0.330 408 Y C 0.308 176.306 175.900 0.164 0.000 1.143 408 Y CA -0.568 57.656 58.100 0.206 0.000 1.318 408 Y CB 1.270 39.844 38.460 0.190 0.000 1.234 408 Y HN 0.163 nan 8.280 nan 0.000 0.522 409 V N 3.726 123.806 119.914 0.278 0.000 2.735 409 V HA 0.385 4.505 4.120 -0.000 0.000 0.310 409 V C -0.737 175.423 176.094 0.110 0.000 1.061 409 V CA -1.046 61.358 62.300 0.174 0.000 0.913 409 V CB 2.106 33.988 31.823 0.099 0.000 1.005 409 V HN 0.454 nan 8.190 nan 0.000 0.428 410 V N 2.594 122.552 119.914 0.073 0.000 2.328 410 V HA 0.352 4.472 4.120 -0.000 0.000 0.278 410 V C -0.398 175.725 176.094 0.049 0.000 1.021 410 V CA -0.449 61.853 62.300 0.003 0.000 0.838 410 V CB 1.407 33.159 31.823 -0.120 0.000 0.999 410 V HN 0.869 nan 8.190 nan 0.000 0.447 411 D N 4.052 124.509 120.400 0.095 0.000 2.312 411 D HA 0.295 4.935 4.640 -0.000 0.000 0.252 411 D C -0.181 176.290 176.300 0.285 0.000 1.150 411 D CA 0.093 54.244 54.000 0.251 0.000 0.870 411 D CB 1.209 42.199 40.800 0.316 0.000 1.153 411 D HN 0.709 nan 8.370 nan 0.000 0.457 412 E N 1.827 122.170 120.200 0.239 0.000 2.234 412 E HA 0.607 4.957 4.350 -0.000 0.000 0.266 412 E C -1.117 175.618 176.600 0.225 0.000 0.877 412 E CA -1.075 55.455 56.400 0.215 0.000 0.758 412 E CB 1.388 31.169 29.700 0.136 0.000 1.170 412 E HN 0.451 nan 8.360 nan 0.000 0.415 413 A N 3.730 126.679 122.820 0.214 0.000 2.445 413 A HA 0.072 4.392 4.320 -0.000 0.000 0.242 413 A C 0.351 178.057 177.584 0.203 0.000 1.075 413 A CA -0.272 51.874 52.037 0.181 0.000 0.777 413 A CB 0.179 19.254 19.000 0.124 0.000 1.013 413 A HN 0.685 nan 8.150 nan 0.000 0.493 414 N N 1.454 120.282 118.700 0.213 0.000 2.971 414 N HA 0.202 4.942 4.740 -0.000 0.000 0.294 414 N C -0.947 174.685 175.510 0.203 0.000 1.210 414 N CA 0.239 53.443 53.050 0.257 0.000 1.157 414 N CB -0.877 37.769 38.487 0.265 0.000 1.450 414 N HN 0.472 nan 8.380 nan 0.000 0.527 415 I N 0.745 121.428 120.570 0.189 0.000 2.529 415 I HA 0.264 4.434 4.170 -0.000 0.000 0.284 415 I C -0.587 175.617 176.117 0.144 0.000 1.088 415 I CA -0.661 60.731 61.300 0.153 0.000 1.062 415 I CB 1.875 39.940 38.000 0.108 0.000 1.218 415 I HN 0.209 nan 8.210 nan 0.000 0.442 416 E N 4.216 124.498 120.200 0.137 0.000 2.278 416 E HA 0.398 4.748 4.350 -0.000 0.000 0.272 416 E C -0.449 176.210 176.600 0.099 0.000 0.890 416 E CA -0.443 56.011 56.400 0.088 0.000 0.770 416 E CB 1.871 31.602 29.700 0.052 0.000 1.212 416 E HN 0.650 nan 8.360 nan 0.000 0.415 417 T N 0.629 115.229 114.554 0.078 0.000 3.331 417 T HA 0.147 4.497 4.350 -0.000 0.000 0.282 417 T C 0.962 175.708 174.700 0.077 0.000 1.010 417 T CA -0.247 61.928 62.100 0.125 0.000 0.928 417 T CB -0.313 68.605 68.868 0.083 0.000 1.154 417 T HN 0.679 nan 8.240 nan 0.000 0.516 418 H N 1.281 120.268 119.070 -0.138 0.000 2.330 418 H HA -0.149 4.407 4.556 -0.000 0.000 0.290 418 H C 2.320 177.513 175.328 -0.224 0.000 1.111 418 H CA 1.616 57.544 56.048 -0.201 0.000 1.226 418 H CB -0.266 29.340 29.762 -0.260 0.000 1.355 418 H HN 0.579 nan 8.280 nan 0.000 0.485 419 G N 0.247 108.898 108.800 -0.248 0.000 2.679 419 G HA2 -0.072 3.888 3.960 -0.000 0.000 0.212 419 G HA3 -0.072 3.888 3.960 -0.000 0.000 0.212 419 G C 0.622 175.613 174.900 0.151 0.000 1.137 419 G CA -0.019 44.966 45.100 -0.192 0.000 0.787 419 G HN 0.159 nan 8.290 nan 0.000 0.534 420 M N -0.038 119.693 119.600 0.217 0.000 2.113 420 M HA 0.341 4.821 4.480 -0.000 0.000 0.288 420 M C -0.300 176.031 176.300 0.053 0.000 1.225 420 M CA 0.096 55.484 55.300 0.146 0.000 1.148 420 M CB 1.022 33.662 32.600 0.067 0.000 1.388 420 M HN -0.163 nan 8.290 nan 0.000 0.469 421 V N 1.922 121.846 119.914 0.017 0.000 2.624 421 V HA 0.280 4.400 4.120 -0.000 0.000 0.294 421 V C -2.202 173.882 176.094 -0.018 0.000 1.077 421 V CA -1.291 61.007 62.300 -0.005 0.000 0.905 421 V CB 1.979 33.797 31.823 -0.008 0.000 1.025 421 V HN 0.734 nan 8.190 nan 0.000 0.440 422 P HA 0.266 nan 4.420 nan 0.000 0.274 422 P C 1.137 178.432 177.300 -0.009 0.000 1.246 422 P CA -0.523 62.569 63.100 -0.014 0.000 0.795 422 P CB 0.820 32.513 31.700 -0.011 0.000 1.006 423 M N 1.200 120.799 119.600 -0.001 0.000 2.192 423 M HA -0.257 4.223 4.480 -0.000 0.000 0.256 423 M C 1.117 177.424 176.300 0.012 0.000 1.076 423 M CA 2.246 57.552 55.300 0.009 0.000 1.075 423 M CB -0.377 32.219 32.600 -0.007 0.000 1.368 423 M HN 0.404 nan 8.290 nan 0.000 0.406 424 N N -0.225 118.482 118.700 0.012 0.000 2.268 424 N HA -0.062 4.678 4.740 -0.000 0.000 0.204 424 N C 1.154 176.625 175.510 -0.064 0.000 1.124 424 N CA 0.185 53.238 53.050 0.006 0.000 0.838 424 N CB -0.660 37.852 38.487 0.043 0.000 0.994 424 N HN 0.405 nan 8.380 nan 0.000 0.489 425 R N 0.641 121.093 120.500 -0.080 0.000 2.134 425 R HA -0.086 4.254 4.340 -0.000 0.000 0.248 425 R C 1.583 177.757 176.300 -0.210 0.000 1.143 425 R CA 1.717 57.745 56.100 -0.121 0.000 0.957 425 R CB -0.144 30.085 30.300 -0.118 0.000 0.867 425 R HN 0.296 nan 8.270 nan 0.000 0.441 426 L N -0.802 120.229 121.223 -0.320 0.000 2.102 426 L HA -0.032 4.308 4.340 -0.000 0.000 0.202 426 L C 2.557 179.231 176.870 -0.326 0.000 1.076 426 L CA 1.391 55.897 54.840 -0.556 0.000 0.761 426 L CB -0.760 40.718 42.059 -0.969 0.000 0.921 426 L HN 0.400 nan 8.230 nan 0.000 0.444 427 T N -3.697 110.709 114.554 -0.248 0.000 2.897 427 T HA -0.225 4.125 4.350 -0.000 0.000 0.271 427 T C 1.229 175.806 174.700 -0.206 0.000 1.084 427 T CA 1.487 63.428 62.100 -0.266 0.000 1.123 427 T CB -0.366 68.309 68.868 -0.321 0.000 0.865 427 T HN 0.116 nan 8.240 nan 0.000 0.496 428 D N 1.405 121.724 120.400 -0.135 0.000 2.358 428 D HA 0.154 4.794 4.640 -0.000 0.000 0.224 428 D C -0.546 175.721 176.300 -0.055 0.000 1.123 428 D CA -0.217 53.725 54.000 -0.097 0.000 0.833 428 D CB -0.061 40.696 40.800 -0.072 0.000 0.946 428 D HN 0.362 nan 8.370 nan 0.000 0.505 429 D N -0.614 119.769 120.400 -0.028 0.000 2.549 429 D HA 0.185 4.825 4.640 -0.000 0.000 0.251 429 D C -1.830 174.537 176.300 0.111 0.000 1.153 429 D CA -2.294 51.741 54.000 0.057 0.000 0.861 429 D CB 2.199 43.069 40.800 0.117 0.000 1.207 429 D HN -0.156 nan 8.370 nan 0.000 0.543 430 P HA -0.206 nan 4.420 nan 0.000 0.218 430 P C 1.165 178.473 177.300 0.013 0.000 1.154 430 P CA 1.260 64.370 63.100 0.016 0.000 0.872 430 P CB 0.316 32.015 31.700 -0.002 0.000 0.790 431 R N -1.824 118.691 120.500 0.025 0.000 2.139 431 R HA -0.157 4.183 4.340 -0.000 0.000 0.243 431 R C 1.914 178.077 176.300 -0.229 0.000 1.145 431 R CA 1.662 57.701 56.100 -0.101 0.000 0.976 431 R CB -0.859 29.364 30.300 -0.129 0.000 0.866 431 R HN 0.339 nan 8.270 nan 0.000 0.449 432 W N -0.579 120.659 121.300 -0.102 0.000 3.290 432 W HA 0.163 4.823 4.660 -0.000 0.000 0.287 432 W C 1.386 177.841 176.519 -0.107 0.000 1.288 432 W CA -0.545 56.739 57.345 -0.103 0.000 1.725 432 W CB -0.154 29.241 29.460 -0.109 0.000 1.103 432 W HN 0.040 nan 8.180 nan 0.000 0.670 433 L N 2.915 124.182 121.223 0.073 0.000 1.963 433 L HA -0.164 4.175 4.340 -0.000 0.000 0.220 433 L C -0.499 176.343 176.870 -0.046 0.000 1.076 433 L CA 2.470 57.307 54.840 -0.006 0.000 0.772 433 L CB -1.982 40.058 42.059 -0.032 0.000 0.892 433 L HN -0.196 nan 8.230 nan 0.000 0.435 434 P HA -0.241 nan 4.420 nan 0.000 0.217 434 P C 1.605 178.854 177.300 -0.084 0.000 1.158 434 P CA 2.613 65.655 63.100 -0.097 0.000 0.887 434 P CB -0.402 31.233 31.700 -0.109 0.000 0.792 435 A N -0.518 122.266 122.820 -0.061 0.000 1.865 435 A HA -0.234 4.086 4.320 -0.000 0.000 0.217 435 A C 2.341 179.931 177.584 0.010 0.000 1.191 435 A CA 2.568 54.600 52.037 -0.009 0.000 0.623 435 A CB -1.576 17.469 19.000 0.075 0.000 0.826 435 A HN 0.098 nan 8.150 nan 0.000 0.444 436 M N 0.364 119.980 119.600 0.027 0.000 2.108 436 M HA -0.182 4.298 4.480 -0.000 0.000 0.261 436 M C 2.457 178.703 176.300 -0.090 0.000 1.066 436 M CA 1.973 57.262 55.300 -0.017 0.000 1.107 436 M CB -0.801 31.769 32.600 -0.051 0.000 1.356 436 M HN 0.595 nan 8.290 nan 0.000 0.406 437 S N 0.456 116.076 115.700 -0.133 0.000 2.359 437 S HA -0.185 4.285 4.470 -0.000 0.000 0.223 437 S C 1.661 176.105 174.600 -0.260 0.000 1.039 437 S CA 1.399 59.457 58.200 -0.237 0.000 1.042 437 S CB -0.721 62.324 63.200 -0.259 0.000 0.915 437 S HN 0.479 nan 8.310 nan 0.000 0.439 438 E N 1.275 121.368 120.200 -0.178 0.000 2.097 438 E HA -0.169 4.181 4.350 -0.000 0.000 0.196 438 E C 2.348 178.867 176.600 -0.134 0.000 1.000 438 E CA 1.020 57.327 56.400 -0.156 0.000 0.804 438 E CB -0.239 29.402 29.700 -0.097 0.000 0.740 438 E HN 0.500 nan 8.360 nan 0.000 0.454 439 R N 0.139 120.587 120.500 -0.087 0.000 2.120 439 R HA -0.109 4.231 4.340 -0.000 0.000 0.234 439 R C 2.390 178.649 176.300 -0.068 0.000 1.123 439 R CA 0.994 57.070 56.100 -0.040 0.000 0.975 439 R CB -0.036 30.274 30.300 0.017 0.000 0.866 439 R HN 0.026 nan 8.270 nan 0.000 0.446 440 V N 0.040 119.869 119.914 -0.143 0.000 2.374 440 V HA -0.183 3.937 4.120 -0.000 0.000 0.241 440 V C 2.399 178.341 176.094 -0.253 0.000 1.034 440 V CA 2.034 64.236 62.300 -0.163 0.000 1.037 440 V CB -0.401 31.317 31.823 -0.176 0.000 0.682 440 V HN 0.521 nan 8.190 nan 0.000 0.463 441 T N -0.169 114.112 114.554 -0.455 0.000 2.624 441 T HA -0.333 4.017 4.350 -0.000 0.000 0.268 441 T C 1.945 176.509 174.700 -0.227 0.000 1.041 441 T CA 1.893 63.656 62.100 -0.563 0.000 1.159 441 T CB -0.546 67.869 68.868 -0.755 0.000 0.863 441 T HN 0.387 nan 8.240 nan 0.000 0.434 442 R N 0.589 120.975 120.500 -0.190 0.000 2.091 442 R HA -0.005 4.335 4.340 -0.000 0.000 0.238 442 R C 2.738 178.975 176.300 -0.105 0.000 1.136 442 R CA 1.812 57.837 56.100 -0.125 0.000 0.959 442 R CB -0.580 29.655 30.300 -0.108 0.000 0.856 442 R HN 0.529 nan 8.270 nan 0.000 0.437 443 M N 0.786 120.333 119.600 -0.089 0.000 2.080 443 M HA -0.181 4.299 4.480 -0.000 0.000 0.260 443 M C 1.952 178.197 176.300 -0.092 0.000 1.068 443 M CA 1.752 57.028 55.300 -0.041 0.000 1.109 443 M CB -0.018 32.599 32.600 0.028 0.000 1.342 443 M HN -0.009 nan 8.290 nan 0.000 0.405 444 V N 1.552 121.324 119.914 -0.237 0.000 2.295 444 V HA -0.307 3.813 4.120 -0.000 0.000 0.246 444 V C 2.404 178.396 176.094 -0.169 0.000 1.049 444 V CA 2.311 64.364 62.300 -0.413 0.000 1.024 444 V CB -1.209 30.331 31.823 -0.471 0.000 0.648 444 V HN 0.627 nan 8.190 nan 0.000 0.447 445 Q N 0.015 119.752 119.800 -0.105 0.000 2.226 445 Q HA -0.249 4.091 4.340 -0.000 0.000 0.204 445 Q C 2.349 178.282 176.000 -0.112 0.000 0.975 445 Q CA 1.633 57.387 55.803 -0.081 0.000 0.866 445 Q CB -0.353 28.365 28.738 -0.033 0.000 0.915 445 Q HN 0.597 nan 8.270 nan 0.000 0.440 446 R N 0.778 121.203 120.500 -0.126 0.000 2.062 446 R HA -0.094 4.246 4.340 -0.000 0.000 0.226 446 R C 0.754 176.977 176.300 -0.130 0.000 1.125 446 R CA 1.429 57.427 56.100 -0.169 0.000 0.966 446 R CB 0.320 30.515 30.300 -0.173 0.000 0.861 446 R HN 0.150 nan 8.270 nan 0.000 0.433 447 D N -0.014 120.372 120.400 -0.024 0.000 2.360 447 D HA -0.020 4.620 4.640 -0.000 0.000 0.210 447 D C 1.466 177.864 176.300 0.164 0.000 1.047 447 D CA 0.235 54.265 54.000 0.050 0.000 0.854 447 D CB 0.209 40.994 40.800 -0.025 0.000 0.936 447 D HN 0.348 nan 8.370 nan 0.000 0.514 448 R N 0.796 121.413 120.500 0.194 0.000 2.303 448 R HA -0.008 4.332 4.340 -0.000 0.000 0.225 448 R C 0.906 177.202 176.300 -0.007 0.000 1.114 448 R CA 1.067 57.295 56.100 0.214 0.000 1.007 448 R CB -0.414 29.978 30.300 0.153 0.000 0.861 448 R HN -0.036 nan 8.270 nan 0.000 0.471 449 N N 0.212 118.821 118.700 -0.151 0.000 2.280 449 N HA -0.014 4.726 4.740 -0.000 0.000 0.192 449 N C -0.526 174.840 175.510 -0.238 0.000 1.109 449 N CA 0.130 53.047 53.050 -0.222 0.000 0.855 449 N CB 0.153 38.453 38.487 -0.312 0.000 0.974 449 N HN 0.321 nan 8.380 nan 0.000 0.482 450 H N 1.571 120.553 119.070 -0.147 0.000 2.723 450 H HA 0.115 4.671 4.556 -0.000 0.000 0.294 450 H C -1.200 173.963 175.328 -0.275 0.000 1.079 450 H CA -1.329 54.615 56.048 -0.173 0.000 1.411 450 H CB 1.631 31.325 29.762 -0.113 0.000 1.439 450 H HN 0.016 nan 8.280 nan 0.000 0.474 451 P HA -0.176 nan 4.420 nan 0.000 0.217 451 P C 1.432 178.312 177.300 -0.700 0.000 1.148 451 P CA 1.323 64.075 63.100 -0.579 0.000 0.828 451 P CB 0.205 31.298 31.700 -1.011 0.000 0.783 452 S N -1.310 114.052 115.700 -0.563 0.000 2.442 452 S HA -0.036 4.434 4.470 -0.000 0.000 0.236 452 S C 1.050 175.613 174.600 -0.061 0.000 1.007 452 S CA 0.306 58.348 58.200 -0.264 0.000 0.965 452 S CB -1.406 61.757 63.200 -0.063 0.000 0.773 452 S HN -0.054 nan 8.310 nan 0.000 0.504 453 V N 3.564 123.404 119.914 -0.123 0.000 2.470 453 V HA 0.263 4.383 4.120 -0.000 0.000 0.276 453 V C 1.022 176.972 176.094 -0.240 0.000 1.040 453 V CA -0.075 62.120 62.300 -0.175 0.000 1.008 453 V CB 0.620 32.238 31.823 -0.342 0.000 0.990 453 V HN 0.625 nan 8.190 nan 0.000 0.477 454 I N 2.539 123.011 120.570 -0.164 0.000 4.327 454 I HA 0.525 4.695 4.170 -0.000 0.000 0.331 454 I C 0.202 176.197 176.117 -0.204 0.000 1.348 454 I CA 0.340 61.551 61.300 -0.148 0.000 1.152 454 I CB 0.520 38.513 38.000 -0.012 0.000 1.151 454 I HN 0.319 nan 8.210 nan 0.000 0.410 455 I N 0.490 120.905 120.570 -0.259 0.000 2.692 455 I HA 0.336 4.506 4.170 -0.000 0.000 0.293 455 I C -1.599 174.412 176.117 -0.178 0.000 1.200 455 I CA -0.398 60.799 61.300 -0.172 0.000 1.036 455 I CB 2.045 40.041 38.000 -0.007 0.000 1.258 455 I HN 0.038 nan 8.210 nan 0.000 0.421 456 W N 3.864 125.208 121.300 0.074 0.000 2.449 456 W HA 0.615 5.275 4.660 -0.000 0.000 0.331 456 W C 0.443 177.023 176.519 0.102 0.000 1.119 456 W CA -0.627 56.767 57.345 0.083 0.000 1.240 456 W CB 1.652 31.153 29.460 0.069 0.000 1.251 456 W HN 0.364 nan 8.180 nan 0.000 0.576 457 S N 2.801 118.731 115.700 0.383 0.000 2.557 457 S HA 0.397 4.867 4.470 -0.000 0.000 0.291 457 S C -0.090 174.676 174.600 0.276 0.000 1.116 457 S CA -0.756 57.617 58.200 0.288 0.000 0.992 457 S CB 0.789 64.113 63.200 0.207 0.000 1.028 457 S HN 0.567 nan 8.310 nan 0.000 0.484 458 L N 4.187 125.570 121.223 0.266 0.000 2.645 458 L HA 0.387 4.727 4.340 -0.000 0.000 0.235 458 L C 1.412 178.375 176.870 0.156 0.000 1.150 458 L CA 0.381 55.314 54.840 0.155 0.000 0.911 458 L CB -1.452 40.612 42.059 0.009 0.000 1.077 458 L HN 1.039 nan 8.230 nan 0.000 0.438 459 G N 0.130 109.084 108.800 0.256 0.000 2.297 459 G HA2 -0.151 3.809 3.960 -0.000 0.000 0.209 459 G HA3 -0.151 3.809 3.960 -0.000 0.000 0.209 459 G C -1.483 173.585 174.900 0.280 0.000 1.267 459 G CA -0.549 44.697 45.100 0.242 0.000 1.127 459 G HN 0.233 nan 8.290 nan 0.000 0.498 460 N N 0.332 119.145 118.700 0.189 0.000 2.598 460 N HA 0.451 5.191 4.740 -0.000 0.000 0.263 460 N C -0.459 175.006 175.510 -0.075 0.000 1.254 460 N CA 0.142 53.164 53.050 -0.047 0.000 0.863 460 N CB 1.389 39.571 38.487 -0.509 0.000 1.586 460 N HN 0.952 nan 8.380 nan 0.000 0.491 461 E N 0.272 120.321 120.200 -0.252 0.000 1.867 461 E HA -0.203 4.147 4.350 -0.000 0.000 0.164 461 E C -0.783 175.713 176.600 -0.174 0.000 1.355 461 E CA 0.692 56.866 56.400 -0.377 0.000 0.575 461 E CB -1.446 27.732 29.700 -0.870 0.000 1.037 461 E HN 0.360 nan 8.360 nan 0.000 0.286 462 S N 0.164 115.913 115.700 0.082 0.000 2.941 462 S HA 0.399 4.869 4.470 -0.000 0.000 0.251 462 S C 0.725 175.481 174.600 0.262 0.000 1.029 462 S CA -0.121 58.182 58.200 0.172 0.000 1.062 462 S CB 1.363 64.715 63.200 0.255 0.000 0.977 462 S HN 0.892 nan 8.310 nan 0.000 0.552 463 G N 1.980 110.879 108.800 0.165 0.000 2.575 463 G HA2 -0.259 3.701 3.960 -0.000 0.000 0.267 463 G HA3 -0.259 3.701 3.960 -0.000 0.000 0.267 463 G C -0.515 174.599 174.900 0.357 0.000 1.264 463 G CA -0.006 45.198 45.100 0.173 0.000 0.935 463 G HN 0.625 nan 8.290 nan 0.000 0.568 464 H N 0.435 119.630 119.070 0.209 0.000 2.840 464 H HA 0.577 5.133 4.556 -0.000 0.000 0.340 464 H C 0.115 175.620 175.328 0.295 0.000 1.004 464 H CA 0.060 56.259 56.048 0.252 0.000 1.288 464 H CB 1.020 30.858 29.762 0.126 0.000 1.607 464 H HN 1.263 nan 8.280 nan 0.000 0.522 465 G N 1.384 110.189 108.800 0.009 0.000 2.642 465 G HA2 0.453 4.413 3.960 -0.000 0.000 0.293 465 G HA3 0.453 4.413 3.960 -0.000 0.000 0.293 465 G C 0.494 175.222 174.900 -0.288 0.000 1.341 465 G CA -0.143 44.817 45.100 -0.234 0.000 0.916 465 G HN 0.665 nan 8.290 nan 0.000 0.474 466 A N 0.603 123.301 122.820 -0.204 0.000 1.986 466 A HA -0.148 4.172 4.320 -0.000 0.000 0.220 466 A C 2.187 179.725 177.584 -0.076 0.000 1.171 466 A CA 2.207 54.179 52.037 -0.108 0.000 0.640 466 A CB -0.523 18.441 19.000 -0.060 0.000 0.811 466 A HN 0.566 nan 8.150 nan 0.000 0.451 467 N N -0.347 118.269 118.700 -0.141 0.000 2.137 467 N HA -0.181 4.558 4.740 -0.000 0.000 0.190 467 N C 1.416 176.850 175.510 -0.126 0.000 1.017 467 N CA 1.884 54.842 53.050 -0.155 0.000 0.859 467 N CB -0.724 37.636 38.487 -0.212 0.000 1.002 467 N HN 0.812 nan 8.380 nan 0.000 0.428 468 H N 0.398 119.409 119.070 -0.097 0.000 2.293 468 H HA -0.044 4.512 4.556 -0.000 0.000 0.300 468 H C 1.367 176.734 175.328 0.065 0.000 1.082 468 H CA 1.355 57.361 56.048 -0.071 0.000 1.308 468 H CB 0.065 29.771 29.762 -0.093 0.000 1.375 468 H HN 0.177 nan 8.280 nan 0.000 0.495 469 D N 0.517 121.050 120.400 0.222 0.000 2.116 469 D HA -0.193 4.447 4.640 -0.000 0.000 0.193 469 D C 2.313 178.755 176.300 0.235 0.000 0.998 469 D CA 1.345 55.476 54.000 0.220 0.000 0.836 469 D CB -0.565 40.332 40.800 0.161 0.000 0.951 469 D HN 0.445 nan 8.370 nan 0.000 0.449 470 A N 0.799 123.707 122.820 0.147 0.000 1.908 470 A HA -0.140 4.180 4.320 -0.000 0.000 0.218 470 A C 2.465 180.154 177.584 0.175 0.000 1.181 470 A CA 1.042 53.161 52.037 0.137 0.000 0.627 470 A CB -0.773 18.266 19.000 0.065 0.000 0.818 470 A HN 0.216 nan 8.150 nan 0.000 0.445 471 L N -2.169 119.141 121.223 0.145 0.000 2.056 471 L HA -0.169 4.171 4.340 -0.000 0.000 0.207 471 L C 2.600 179.611 176.870 0.234 0.000 1.078 471 L CA 1.741 56.668 54.840 0.144 0.000 0.749 471 L CB -0.809 41.272 42.059 0.037 0.000 0.901 471 L HN 0.611 nan 8.230 nan 0.000 0.433 472 Y N 0.951 121.330 120.300 0.131 0.000 2.081 472 Y HA -0.316 4.234 4.550 -0.000 0.000 0.280 472 Y C 2.919 178.897 175.900 0.131 0.000 1.163 472 Y CA 1.630 59.811 58.100 0.135 0.000 1.135 472 Y CB -0.234 38.307 38.460 0.134 0.000 0.970 472 Y HN -0.056 nan 8.280 nan 0.000 0.498 473 R N 0.009 120.640 120.500 0.219 0.000 2.083 473 R HA -0.250 4.090 4.340 -0.000 0.000 0.237 473 R C 2.118 178.419 176.300 0.002 0.000 1.137 473 R CA 2.015 58.164 56.100 0.082 0.000 0.951 473 R CB -1.697 28.725 30.300 0.204 0.000 0.851 473 R HN 0.687 nan 8.270 nan 0.000 0.434 474 W N 1.307 122.565 121.300 -0.071 0.000 2.318 474 W HA -0.209 4.451 4.660 -0.000 0.000 0.313 474 W C 1.942 178.367 176.519 -0.157 0.000 1.221 474 W CA 1.948 59.236 57.345 -0.095 0.000 1.266 474 W CB -0.420 28.988 29.460 -0.087 0.000 1.150 474 W HN 0.023 nan 8.180 nan 0.000 0.496 475 I N 0.611 121.172 120.570 -0.015 0.000 2.142 475 I HA -0.350 3.820 4.170 -0.000 0.000 0.240 475 I C 2.467 178.352 176.117 -0.386 0.000 1.078 475 I CA 1.428 62.550 61.300 -0.297 0.000 1.343 475 I CB -1.014 36.880 38.000 -0.177 0.000 1.046 475 I HN -0.092 nan 8.210 nan 0.000 0.405 476 K N 1.183 121.381 120.400 -0.337 0.000 2.089 476 K HA -0.173 4.147 4.320 -0.000 0.000 0.210 476 K C 2.219 178.668 176.600 -0.252 0.000 1.048 476 K CA 1.889 58.002 56.287 -0.290 0.000 0.926 476 K CB -0.667 31.642 32.500 -0.319 0.000 0.714 476 K HN 0.374 nan 8.250 nan 0.000 0.448 477 S N 0.314 115.829 115.700 -0.309 0.000 2.395 477 S HA -0.036 4.434 4.470 -0.000 0.000 0.225 477 S C 2.228 176.596 174.600 -0.386 0.000 1.027 477 S CA 0.811 58.833 58.200 -0.297 0.000 0.965 477 S CB -0.133 62.903 63.200 -0.273 0.000 0.812 477 S HN -0.006 nan 8.310 nan 0.000 0.482 478 V N 1.383 120.927 119.914 -0.616 0.000 2.535 478 V HA 0.061 4.181 4.120 -0.000 0.000 0.246 478 V C 0.386 176.236 176.094 -0.406 0.000 1.045 478 V CA 1.238 63.156 62.300 -0.637 0.000 1.058 478 V CB -0.237 30.889 31.823 -1.162 0.000 0.689 478 V HN 0.392 nan 8.190 nan 0.000 0.461 479 D N -0.713 119.488 120.400 -0.332 0.000 2.358 479 D HA 0.273 4.913 4.640 -0.000 0.000 0.253 479 D C -2.272 174.004 176.300 -0.040 0.000 1.288 479 D CA -1.769 52.153 54.000 -0.130 0.000 0.950 479 D CB 1.979 42.785 40.800 0.012 0.000 1.197 479 D HN 0.079 nan 8.370 nan 0.000 0.550 480 P HA 0.027 nan 4.420 nan 0.000 0.255 480 P C 1.076 178.392 177.300 0.027 0.000 1.248 480 P CA 0.228 63.315 63.100 -0.020 0.000 0.807 480 P CB 0.312 31.991 31.700 -0.036 0.000 1.150 481 S N -0.504 115.224 115.700 0.047 0.000 2.489 481 S HA 0.029 4.499 4.470 -0.000 0.000 0.228 481 S C 0.907 175.538 174.600 0.051 0.000 0.995 481 S CA -0.041 58.191 58.200 0.054 0.000 0.934 481 S CB -0.398 62.828 63.200 0.044 0.000 0.771 481 S HN 0.105 nan 8.310 nan 0.000 0.522 482 R N 0.955 121.503 120.500 0.081 0.000 2.744 482 R HA 0.635 4.975 4.340 -0.000 0.000 0.279 482 R C -3.221 173.143 176.300 0.106 0.000 0.977 482 R CA -2.408 53.711 56.100 0.032 0.000 0.906 482 R CB 1.063 31.266 30.300 -0.162 0.000 1.197 482 R HN 0.127 nan 8.270 nan 0.000 0.463 483 P HA 0.197 nan 4.420 nan 0.000 0.276 483 P C -0.795 176.608 177.300 0.171 0.000 1.252 483 P CA -0.530 62.634 63.100 0.106 0.000 0.802 483 P CB 0.782 32.529 31.700 0.078 0.000 1.035 484 V N 1.852 121.890 119.914 0.205 0.000 2.540 484 V HA 0.410 4.530 4.120 -0.000 0.000 0.302 484 V C 0.138 176.410 176.094 0.296 0.000 1.035 484 V CA -0.417 62.050 62.300 0.278 0.000 0.873 484 V CB 1.334 33.301 31.823 0.239 0.000 0.992 484 V HN 0.631 nan 8.190 nan 0.000 0.428 485 Q N 3.675 123.631 119.800 0.260 0.000 2.433 485 Q HA 0.822 5.162 4.340 -0.000 0.000 0.279 485 Q C -1.754 174.405 176.000 0.265 0.000 1.105 485 Q CA -0.976 54.953 55.803 0.208 0.000 0.815 485 Q CB 2.978 31.785 28.738 0.115 0.000 1.403 485 Q HN 0.662 nan 8.270 nan 0.000 0.435 486 Y N 0.190 120.508 120.300 0.030 0.000 2.376 486 Y HA 0.154 4.704 4.550 -0.000 0.000 0.321 486 Y C -0.370 175.479 175.900 -0.084 0.000 1.189 486 Y CA -0.643 57.443 58.100 -0.023 0.000 1.069 486 Y CB 2.097 40.538 38.460 -0.031 0.000 1.292 486 Y HN 0.951 nan 8.280 nan 0.000 0.430 487 E N 3.597 123.337 120.200 -0.766 0.000 2.250 487 E HA 0.115 4.465 4.350 -0.000 0.000 0.192 487 E C 0.734 176.874 176.600 -0.766 0.000 0.986 487 E CA 0.767 56.802 56.400 -0.609 0.000 0.849 487 E CB 0.176 29.637 29.700 -0.398 0.000 0.797 487 E HN 0.909 nan 8.360 nan 0.000 0.482 488 G N 0.061 107.962 108.800 -1.498 0.000 2.464 488 G HA2 0.158 4.118 3.960 -0.000 0.000 0.231 488 G HA3 0.158 4.118 3.960 -0.000 0.000 0.231 488 G C 0.808 175.543 174.900 -0.275 0.000 1.267 488 G CA 0.398 45.025 45.100 -0.788 0.000 0.863 488 G HN 0.390 nan 8.290 nan 0.000 0.559 489 G N -0.246 108.496 108.800 -0.096 0.000 2.198 489 G HA2 0.230 4.190 3.960 -0.000 0.000 0.260 489 G HA3 0.230 4.190 3.960 -0.000 0.000 0.260 489 G C 1.290 176.175 174.900 -0.026 0.000 1.025 489 G CA 0.999 46.102 45.100 0.006 0.000 0.769 489 G HN 2.638 nan 8.290 nan 0.000 0.507 490 G N -1.713 107.068 108.800 -0.031 0.000 2.229 490 G HA2 0.420 4.380 3.960 -0.000 0.000 0.189 490 G HA3 0.420 4.380 3.960 -0.000 0.000 0.189 490 G C 1.089 176.081 174.900 0.152 0.000 1.000 490 G CA 1.330 46.469 45.100 0.066 0.000 0.663 490 G HN 2.340 nan 8.290 nan 0.000 0.493 491 A N -0.154 122.651 122.820 -0.025 0.000 3.413 491 A HA -0.112 4.207 4.320 -0.000 0.000 0.268 491 A C 1.092 178.623 177.584 -0.088 0.000 1.128 491 A CA 2.664 54.639 52.037 -0.103 0.000 1.062 491 A CB -1.811 17.099 19.000 -0.151 0.000 1.121 491 A HN 2.111 nan 8.150 nan 0.000 0.895 492 D N -1.099 119.316 120.400 0.025 0.000 2.692 492 D HA 0.300 4.940 4.640 -0.000 0.000 0.290 492 D C 0.433 176.722 176.300 -0.019 0.000 1.455 492 D CA 0.841 54.862 54.000 0.036 0.000 0.796 492 D CB -1.154 39.797 40.800 0.253 0.000 1.131 492 D HN 0.846 nan 8.370 nan 0.000 0.467 493 T N -2.447 112.032 114.554 -0.126 0.000 2.698 493 T HA 0.146 4.496 4.350 -0.000 0.000 0.295 493 T C 1.615 176.184 174.700 -0.219 0.000 1.007 493 T CA 0.581 62.534 62.100 -0.245 0.000 0.980 493 T CB 1.032 69.541 68.868 -0.598 0.000 1.036 493 T HN 0.078 nan 8.240 nan 0.000 0.526 494 T N -2.142 112.270 114.554 -0.235 0.000 3.113 494 T HA 0.127 4.477 4.350 -0.000 0.000 0.263 494 T C 1.648 176.102 174.700 -0.411 0.000 1.143 494 T CA 0.600 62.575 62.100 -0.209 0.000 1.090 494 T CB -0.770 68.045 68.868 -0.088 0.000 0.922 494 T HN 0.836 nan 8.240 nan 0.000 0.521 495 A N 0.139 122.750 122.820 -0.349 0.000 2.337 495 A HA 0.464 4.784 4.320 -0.000 0.000 0.227 495 A C 0.981 178.382 177.584 -0.304 0.000 1.259 495 A CA -0.024 51.761 52.037 -0.419 0.000 0.870 495 A CB -0.110 18.900 19.000 0.017 0.000 0.927 495 A HN 0.492 nan 8.150 nan 0.000 0.497 496 T N -1.531 112.884 114.554 -0.231 0.000 2.912 496 T HA 0.386 4.736 4.350 -0.000 0.000 0.299 496 T C -0.561 174.169 174.700 0.050 0.000 1.052 496 T CA -0.465 61.642 62.100 0.012 0.000 0.996 496 T CB 1.319 70.190 68.868 0.005 0.000 1.070 496 T HN 0.077 nan 8.240 nan 0.000 0.465 497 D N 2.618 123.125 120.400 0.178 0.000 2.349 497 D HA 0.304 4.944 4.640 -0.000 0.000 0.215 497 D C 0.256 176.592 176.300 0.060 0.000 1.016 497 D CA 0.661 54.750 54.000 0.148 0.000 0.870 497 D CB 0.397 41.311 40.800 0.189 0.000 0.917 497 D HN 0.511 nan 8.370 nan 0.000 0.524 498 I N 0.473 121.059 120.570 0.027 0.000 2.769 498 I HA 0.253 4.423 4.170 -0.000 0.000 0.298 498 I C -0.429 175.630 176.117 -0.097 0.000 1.128 498 I CA -0.954 60.326 61.300 -0.032 0.000 1.031 498 I CB 2.996 40.985 38.000 -0.019 0.000 1.235 498 I HN -0.347 nan 8.210 nan 0.000 0.423 499 I N 4.906 125.374 120.570 -0.171 0.000 2.363 499 I HA 0.124 4.294 4.170 -0.000 0.000 0.292 499 I C -0.056 175.869 176.117 -0.320 0.000 1.075 499 I CA -0.165 60.947 61.300 -0.313 0.000 1.333 499 I CB 0.050 37.769 38.000 -0.468 0.000 1.415 499 I HN 0.599 nan 8.210 nan 0.000 0.502 500 C N 5.419 124.550 119.300 -0.281 0.000 3.273 500 C HA 0.503 4.963 4.460 -0.000 0.000 0.227 500 C C -2.191 172.666 174.990 -0.222 0.000 1.409 500 C CA -2.266 56.627 59.018 -0.208 0.000 1.516 500 C CB -0.889 26.784 27.740 -0.111 0.000 1.853 500 C HN 0.408 nan 8.230 nan 0.000 0.472 501 P HA 0.439 nan 4.420 nan 0.000 0.275 501 P C -0.514 176.719 177.300 -0.112 0.000 1.266 501 P CA -0.032 62.957 63.100 -0.186 0.000 0.793 501 P CB 0.693 32.282 31.700 -0.186 0.000 1.074 502 M N -0.890 118.673 119.600 -0.062 0.000 2.204 502 M HA 0.482 4.962 4.480 -0.000 0.000 0.293 502 M C -1.085 175.200 176.300 -0.026 0.000 0.994 502 M CA -0.632 54.547 55.300 -0.203 0.000 0.925 502 M CB 1.648 34.083 32.600 -0.275 0.000 1.577 502 M HN 0.353 nan 8.290 nan 0.000 0.439 503 Y N -0.321 120.128 120.300 0.249 0.000 4.569 503 Y HA -0.197 4.353 4.550 -0.000 0.000 0.237 503 Y C 0.489 176.542 175.900 0.256 0.000 1.090 503 Y CA 0.414 58.663 58.100 0.249 0.000 2.052 503 Y CB -2.165 36.413 38.460 0.195 0.000 1.621 503 Y HN 1.006 nan 8.280 nan 0.000 0.682 504 A N 1.093 124.120 122.820 0.345 0.000 2.425 504 A HA 0.615 4.935 4.320 -0.000 0.000 0.249 504 A C 0.671 178.453 177.584 0.330 0.000 1.084 504 A CA -0.376 51.864 52.037 0.339 0.000 0.781 504 A CB 0.412 19.637 19.000 0.376 0.000 1.019 504 A HN 0.409 nan 8.150 nan 0.000 0.490 505 R N 1.132 121.761 120.500 0.216 0.000 2.543 505 R HA 0.359 4.699 4.340 -0.000 0.000 0.268 505 R C 1.097 177.364 176.300 -0.054 0.000 1.067 505 R CA -0.684 55.477 56.100 0.102 0.000 1.142 505 R CB 0.761 31.099 30.300 0.062 0.000 1.110 505 R HN 0.481 nan 8.270 nan 0.000 0.549 506 V N 0.673 120.408 119.914 -0.298 0.000 2.270 506 V HA -0.212 3.908 4.120 -0.000 0.000 0.245 506 V C 0.869 176.846 176.094 -0.195 0.000 1.043 506 V CA 1.899 63.973 62.300 -0.377 0.000 1.014 506 V CB -0.227 31.264 31.823 -0.553 0.000 0.645 506 V HN 0.768 nan 8.190 nan 0.000 0.447 507 D N -1.423 118.896 120.400 -0.134 0.000 2.474 507 D HA 0.123 4.763 4.640 -0.000 0.000 0.213 507 D C 0.748 177.029 176.300 -0.031 0.000 1.120 507 D CA 0.051 54.005 54.000 -0.077 0.000 0.836 507 D CB 0.947 41.707 40.800 -0.068 0.000 1.019 507 D HN 0.553 nan 8.370 nan 0.000 0.507 508 E N 1.603 121.791 120.200 -0.019 0.000 2.179 508 E HA 0.198 4.548 4.350 -0.000 0.000 0.275 508 E C -1.037 175.568 176.600 0.007 0.000 0.945 508 E CA -0.621 55.776 56.400 -0.005 0.000 0.792 508 E CB 1.463 31.159 29.700 -0.006 0.000 1.125 508 E HN -0.279 nan 8.360 nan 0.000 0.397 509 D N 3.236 123.637 120.400 0.002 0.000 2.225 509 D HA 0.184 4.824 4.640 -0.000 0.000 0.249 509 D C -0.753 175.448 176.300 -0.164 0.000 1.052 509 D CA -0.028 53.965 54.000 -0.012 0.000 0.909 509 D CB 1.412 42.264 40.800 0.087 0.000 1.186 509 D HN 0.382 nan 8.370 nan 0.000 0.431 510 Q N 1.557 121.149 119.800 -0.347 0.000 2.616 510 Q HA 0.287 4.627 4.340 -0.000 0.000 0.250 510 Q C -2.342 173.004 176.000 -1.090 0.000 0.991 510 Q CA -1.644 53.746 55.803 -0.688 0.000 0.707 510 Q CB 2.454 30.805 28.738 -0.645 0.000 1.247 510 Q HN 0.119 nan 8.270 nan 0.000 0.491 511 P HA 0.067 nan 4.420 nan 0.000 0.220 511 P C -0.853 176.092 177.300 -0.592 0.000 1.806 511 P CA -0.135 62.539 63.100 -0.709 0.000 0.976 511 P CB -0.530 30.956 31.700 -0.357 0.000 1.952 512 F N 2.436 122.234 119.950 -0.254 0.000 2.459 512 F HA 0.262 4.789 4.527 -0.000 0.000 0.346 512 F C -1.216 174.477 175.800 -0.177 0.000 1.128 512 F CA -2.627 55.270 58.000 -0.171 0.000 1.268 512 F CB -0.453 38.463 39.000 -0.140 0.000 1.161 512 F HN 0.054 nan 8.300 nan 0.000 0.583 513 P HA 0.033 nan 4.420 nan 0.000 0.266 513 P C 0.387 177.702 177.300 0.025 0.000 1.195 513 P CA 0.968 64.084 63.100 0.026 0.000 0.768 513 P CB 1.011 32.728 31.700 0.028 0.000 0.838 514 A N 2.836 125.656 122.820 0.000 0.000 3.292 514 A HA -0.258 4.062 4.320 -0.000 0.000 0.241 514 A C 0.715 178.294 177.584 -0.009 0.000 0.569 514 A CA 2.178 54.217 52.037 0.003 0.000 1.149 514 A CB -2.677 16.329 19.000 0.010 0.000 1.321 514 A HN 0.752 nan 8.150 nan 0.000 0.679 515 V N -3.564 116.348 119.914 -0.004 0.000 2.546 515 V HA 0.574 4.694 4.120 -0.000 0.000 0.260 515 V C -2.666 173.431 176.094 0.004 0.000 0.933 515 V CA -1.251 61.043 62.300 -0.011 0.000 0.994 515 V CB 0.898 32.724 31.823 0.005 0.000 1.160 515 V HN 0.439 nan 8.190 nan 0.000 0.523 516 P HA 0.345 nan 4.420 nan 0.000 0.274 516 P C -0.728 176.126 177.300 -0.743 0.000 1.231 516 P CA 0.052 62.797 63.100 -0.592 0.000 0.790 516 P CB 0.966 31.918 31.700 -1.248 0.000 0.951 517 K N 2.129 122.145 120.400 -0.640 0.000 2.464 517 K HA 0.243 4.563 4.320 -0.000 0.000 0.252 517 K C -0.482 175.839 176.600 -0.464 0.000 1.000 517 K CA -0.286 55.789 56.287 -0.355 0.000 0.951 517 K CB 0.636 33.225 32.500 0.147 0.000 1.183 517 K HN 0.476 nan 8.250 nan 0.000 0.445 518 W N 1.559 122.585 121.300 -0.456 0.000 2.126 518 W HA 0.047 4.707 4.660 -0.000 0.000 0.346 518 W C 1.333 177.870 176.519 0.030 0.000 1.279 518 W CA -0.652 56.515 57.345 -0.297 0.000 1.259 518 W CB 0.517 29.642 29.460 -0.557 0.000 1.133 518 W HN 0.441 nan 8.180 nan 0.000 0.592 519 S N 3.193 119.057 115.700 0.273 0.000 2.558 519 S HA -0.067 4.403 4.470 -0.000 0.000 0.288 519 S C 1.132 175.875 174.600 0.239 0.000 1.318 519 S CA -0.229 58.071 58.200 0.167 0.000 1.056 519 S CB 0.259 63.491 63.200 0.054 0.000 0.853 519 S HN 0.549 nan 8.310 nan 0.000 0.505 520 I N 1.424 122.092 120.570 0.165 0.000 2.361 520 I HA -0.175 3.995 4.170 -0.000 0.000 0.251 520 I C 1.867 178.005 176.117 0.036 0.000 1.133 520 I CA 1.225 62.621 61.300 0.160 0.000 1.413 520 I CB -0.571 37.462 38.000 0.056 0.000 1.073 520 I HN 0.653 nan 8.210 nan 0.000 0.424 521 K N 1.946 122.275 120.400 -0.118 0.000 2.148 521 K HA -0.159 4.160 4.320 -0.000 0.000 0.204 521 K C 2.154 178.738 176.600 -0.027 0.000 1.050 521 K CA 1.536 57.685 56.287 -0.231 0.000 0.942 521 K CB -0.283 31.985 32.500 -0.386 0.000 0.724 521 K HN 0.437 nan 8.250 nan 0.000 0.446 522 K N 0.676 121.085 120.400 0.015 0.000 2.062 522 K HA -0.144 4.176 4.320 -0.000 0.000 0.205 522 K C 1.931 178.539 176.600 0.013 0.000 1.051 522 K CA 0.641 56.917 56.287 -0.018 0.000 0.941 522 K CB -0.090 32.364 32.500 -0.076 0.000 0.719 522 K HN 0.172 nan 8.250 nan 0.000 0.440 523 W N 2.083 123.345 121.300 -0.064 0.000 2.321 523 W HA -0.232 4.428 4.660 -0.000 0.000 0.306 523 W C 1.558 178.042 176.519 -0.060 0.000 1.217 523 W CA 1.337 58.657 57.345 -0.042 0.000 1.257 523 W CB -0.660 28.878 29.460 0.129 0.000 1.145 523 W HN 0.137 nan 8.180 nan 0.000 0.509 524 L N 0.792 122.162 121.223 0.245 0.000 2.081 524 L HA -0.274 4.066 4.340 -0.000 0.000 0.212 524 L C 2.541 179.466 176.870 0.093 0.000 1.080 524 L CA 2.090 57.008 54.840 0.131 0.000 0.754 524 L CB -1.014 41.102 42.059 0.097 0.000 0.893 524 L HN 0.026 nan 8.230 nan 0.000 0.433 525 S N -1.033 114.701 115.700 0.056 0.000 2.593 525 S HA 0.131 4.601 4.470 -0.000 0.000 0.217 525 S C 0.745 175.321 174.600 -0.041 0.000 0.966 525 S CA -0.461 57.744 58.200 0.008 0.000 0.914 525 S CB -0.481 62.718 63.200 -0.001 0.000 0.776 525 S HN 0.199 nan 8.310 nan 0.000 0.523 526 L N 2.190 123.377 121.223 -0.060 0.000 2.506 526 L HA 0.243 4.583 4.340 -0.000 0.000 0.281 526 L C -2.213 174.624 176.870 -0.055 0.000 1.228 526 L CA -1.720 53.047 54.840 -0.122 0.000 0.850 526 L CB -0.438 41.514 42.059 -0.178 0.000 1.110 526 L HN 0.045 nan 8.230 nan 0.000 0.496 527 P HA 0.001 nan 4.420 nan 0.000 0.260 527 P C 0.835 178.126 177.300 -0.015 0.000 1.185 527 P CA 0.991 64.067 63.100 -0.040 0.000 0.763 527 P CB 0.695 32.366 31.700 -0.048 0.000 0.776 528 G N 2.043 110.840 108.800 -0.003 0.000 2.253 528 G HA2 -0.270 3.690 3.960 -0.000 0.000 0.251 528 G HA3 -0.270 3.690 3.960 -0.000 0.000 0.251 528 G C 0.314 175.228 174.900 0.023 0.000 0.998 528 G CA 0.136 45.242 45.100 0.010 0.000 0.621 528 G HN 0.627 nan 8.290 nan 0.000 0.524 529 E N 1.211 121.430 120.200 0.032 0.000 2.392 529 E HA 0.543 4.893 4.350 -0.000 0.000 0.264 529 E C 1.406 178.028 176.600 0.037 0.000 1.024 529 E CA 0.993 57.425 56.400 0.053 0.000 0.903 529 E CB 0.783 30.543 29.700 0.101 0.000 0.963 529 E HN 0.669 nan 8.360 nan 0.000 0.432 530 T N 0.525 115.097 114.554 0.030 0.000 3.131 530 T HA 0.302 4.652 4.350 -0.000 0.000 0.283 530 T C 0.578 175.285 174.700 0.011 0.000 0.906 530 T CA -0.454 61.658 62.100 0.020 0.000 0.882 530 T CB 0.042 68.921 68.868 0.019 0.000 1.208 530 T HN 0.276 nan 8.240 nan 0.000 0.561 531 R N 2.166 122.668 120.500 0.004 0.000 2.707 531 R HA 0.467 4.807 4.340 -0.000 0.000 0.270 531 R C -2.563 173.716 176.300 -0.036 0.000 1.083 531 R CA -1.574 54.518 56.100 -0.014 0.000 1.182 531 R CB 0.040 30.326 30.300 -0.025 0.000 1.084 531 R HN 0.243 nan 8.270 nan 0.000 0.528 532 P HA 0.132 nan 4.420 nan 0.000 0.279 532 P C -1.340 175.891 177.300 -0.115 0.000 1.252 532 P CA -0.412 62.646 63.100 -0.071 0.000 0.811 532 P CB 0.653 32.313 31.700 -0.068 0.000 1.035 533 L N 1.935 123.070 121.223 -0.146 0.000 2.356 533 L HA 0.656 4.996 4.340 -0.000 0.000 0.277 533 L C -1.377 175.354 176.870 -0.230 0.000 0.996 533 L CA -0.292 54.424 54.840 -0.206 0.000 0.822 533 L CB 0.853 42.753 42.059 -0.265 0.000 1.256 533 L HN 0.221 nan 8.230 nan 0.000 0.413 534 I N 5.457 125.894 120.570 -0.223 0.000 2.512 534 I HA 0.310 4.480 4.170 -0.000 0.000 0.287 534 I C -0.969 175.048 176.117 -0.166 0.000 1.069 534 I CA -0.638 60.520 61.300 -0.236 0.000 1.056 534 I CB 2.070 39.983 38.000 -0.146 0.000 1.229 534 I HN 0.546 nan 8.210 nan 0.000 0.429 535 L N 5.474 126.568 121.223 -0.214 0.000 2.360 535 L HA 0.122 4.462 4.340 -0.000 0.000 0.276 535 L C 1.422 178.355 176.870 0.105 0.000 1.121 535 L CA -0.262 54.514 54.840 -0.106 0.000 0.845 535 L CB 0.860 42.822 42.059 -0.161 0.000 1.143 535 L HN 0.868 nan 8.230 nan 0.000 0.452 536 C N 0.340 119.688 119.300 0.079 0.000 2.446 536 C HA 0.114 4.574 4.460 -0.000 0.000 0.279 536 C C 0.619 175.742 174.990 0.221 0.000 1.366 536 C CA -0.093 59.019 59.018 0.157 0.000 1.763 536 C CB -0.956 26.787 27.740 0.006 0.000 1.929 536 C HN 0.822 nan 8.230 nan 0.000 0.509 537 E N -0.782 119.471 120.200 0.089 0.000 2.321 537 E HA 0.599 4.949 4.350 -0.000 0.000 0.281 537 E C -1.379 175.140 176.600 -0.134 0.000 0.910 537 E CA -0.358 56.073 56.400 0.052 0.000 0.770 537 E CB 1.918 31.474 29.700 -0.240 0.000 1.225 537 E HN 0.689 nan 8.360 nan 0.000 0.417 538 Y N -0.819 119.446 120.300 -0.058 0.000 2.677 538 Y HA 0.607 5.157 4.550 -0.000 0.000 0.334 538 Y C -0.807 175.261 175.900 0.279 0.000 1.196 538 Y CA -0.754 57.346 58.100 0.001 0.000 1.059 538 Y CB 0.993 39.362 38.460 -0.152 0.000 1.315 538 Y HN 0.679 nan 8.280 nan 0.000 0.455 539 A N 2.147 125.034 122.820 0.111 0.000 2.360 539 A HA -0.264 4.056 4.320 -0.000 0.000 0.289 539 A C -0.326 177.389 177.584 0.219 0.000 1.437 539 A CA 1.000 53.080 52.037 0.071 0.000 0.734 539 A CB -2.530 16.344 19.000 -0.209 0.000 1.145 539 A HN 1.137 nan 8.150 nan 0.000 0.374 540 H N 0.586 119.828 119.070 0.287 0.000 3.248 540 H HA 0.175 4.731 4.556 -0.000 0.000 0.258 540 H C 1.242 176.652 175.328 0.137 0.000 0.923 540 H CA 0.811 57.043 56.048 0.308 0.000 1.416 540 H CB 0.336 30.174 29.762 0.128 0.000 1.523 540 H HN 0.861 nan 8.280 nan 0.000 0.528 541 A N 6.452 129.193 122.820 -0.132 0.000 2.543 541 A HA 0.034 4.354 4.320 -0.000 0.000 0.258 541 A C 0.965 178.398 177.584 -0.252 0.000 1.391 541 A CA -0.345 51.577 52.037 -0.192 0.000 1.066 541 A CB -0.573 18.300 19.000 -0.211 0.000 0.972 541 A HN 0.794 nan 8.150 nan 0.000 0.560 542 M N 1.526 120.953 119.600 -0.289 0.000 2.341 542 M HA 0.403 4.883 4.480 -0.000 0.000 0.336 542 M C 1.045 177.182 176.300 -0.273 0.000 1.489 542 M CA 1.269 56.409 55.300 -0.267 0.000 1.278 542 M CB -0.524 31.955 32.600 -0.201 0.000 1.657 542 M HN 0.803 nan 8.290 nan 0.000 0.455 543 G N 4.308 112.935 108.800 -0.288 0.000 2.527 543 G HA2 -0.335 3.625 3.960 -0.000 0.000 0.268 543 G HA3 -0.335 3.625 3.960 -0.000 0.000 0.268 543 G C -0.149 174.281 174.900 -0.782 0.000 1.175 543 G CA 0.020 44.792 45.100 -0.547 0.000 0.962 543 G HN 0.793 nan 8.290 nan 0.000 0.560 544 N N 1.524 119.580 118.700 -1.072 0.000 2.549 544 N HA 0.492 5.232 4.740 -0.000 0.000 0.267 544 N C 0.029 175.285 175.510 -0.424 0.000 1.182 544 N CA 1.120 53.707 53.050 -0.773 0.000 1.019 544 N CB 0.281 38.337 38.487 -0.717 0.000 1.380 544 N HN 0.741 nan 8.380 nan 0.000 0.505 545 S N 1.593 117.124 115.700 -0.281 0.000 2.998 545 S HA 0.619 5.089 4.470 -0.000 0.000 0.323 545 S C -0.018 174.505 174.600 -0.129 0.000 1.141 545 S CA -0.383 57.705 58.200 -0.186 0.000 0.873 545 S CB 0.287 63.399 63.200 -0.147 0.000 1.315 545 S HN 0.352 nan 8.310 nan 0.000 0.637 546 L N 0.102 121.278 121.223 -0.078 0.000 4.793 546 L HA -0.059 4.281 4.340 -0.000 0.000 0.404 546 L C 0.488 177.380 176.870 0.037 0.000 1.022 546 L CA 0.956 55.767 54.840 -0.049 0.000 1.242 546 L CB -1.807 40.142 42.059 -0.183 0.000 2.049 546 L HN 0.709 nan 8.230 nan 0.000 0.637 547 G N -0.877 107.921 108.800 -0.004 0.000 2.365 547 G HA2 0.482 4.442 3.960 -0.000 0.000 0.249 547 G HA3 0.482 4.442 3.960 -0.000 0.000 0.249 547 G C 1.247 176.192 174.900 0.075 0.000 1.288 547 G CA 0.219 45.303 45.100 -0.027 0.000 0.887 547 G HN 1.393 nan 8.290 nan 0.000 0.524 548 G N 1.813 110.669 108.800 0.092 0.000 2.213 548 G HA2 -0.309 3.651 3.960 -0.000 0.000 0.236 548 G HA3 -0.309 3.651 3.960 -0.000 0.000 0.236 548 G C 1.132 176.247 174.900 0.359 0.000 0.991 548 G CA 0.750 45.966 45.100 0.193 0.000 0.629 548 G HN 0.789 nan 8.290 nan 0.000 0.517 549 F N 2.197 122.284 119.950 0.227 0.000 2.085 549 F HA -0.039 4.488 4.527 -0.000 0.000 0.299 549 F C 2.778 178.808 175.800 0.383 0.000 1.096 549 F CA 2.954 61.153 58.000 0.332 0.000 1.227 549 F CB -0.586 38.534 39.000 0.201 0.000 0.983 549 F HN 0.420 nan 8.300 nan 0.000 0.482 550 A N -0.441 122.546 122.820 0.279 0.000 1.978 550 A HA -0.236 4.084 4.320 -0.000 0.000 0.220 550 A C 2.312 179.919 177.584 0.037 0.000 1.170 550 A CA 1.749 53.872 52.037 0.143 0.000 0.636 550 A CB -0.750 18.338 19.000 0.147 0.000 0.810 550 A HN 0.439 nan 8.150 nan 0.000 0.448 551 K N -1.548 118.867 120.400 0.025 0.000 2.074 551 K HA -0.212 4.108 4.320 -0.000 0.000 0.209 551 K C 1.809 178.200 176.600 -0.349 0.000 1.048 551 K CA 2.048 58.262 56.287 -0.122 0.000 0.926 551 K CB -0.347 32.073 32.500 -0.133 0.000 0.713 551 K HN 0.671 nan 8.250 nan 0.000 0.444 552 Y N -0.956 119.074 120.300 -0.451 0.000 2.163 552 Y HA -0.240 4.310 4.550 -0.000 0.000 0.288 552 Y C 2.131 177.081 175.900 -1.584 0.000 1.136 552 Y CA 1.348 58.823 58.100 -1.041 0.000 1.147 552 Y CB -0.424 37.393 38.460 -1.072 0.000 0.987 552 Y HN 0.173 nan 8.280 nan 0.000 0.509 553 W N 0.618 121.491 121.300 -0.713 0.000 2.350 553 W HA -0.233 4.427 4.660 -0.000 0.000 0.289 553 W C 2.666 178.996 176.519 -0.314 0.000 1.215 553 W CA 1.936 58.975 57.345 -0.510 0.000 1.236 553 W CB -0.559 28.681 29.460 -0.368 0.000 1.130 553 W HN 0.167 nan 8.180 nan 0.000 0.541 554 Q N 0.483 120.183 119.800 -0.168 0.000 2.123 554 Q HA -0.138 4.202 4.340 -0.000 0.000 0.199 554 Q C 2.176 178.109 176.000 -0.113 0.000 0.966 554 Q CA 1.815 57.567 55.803 -0.085 0.000 0.845 554 Q CB -0.486 28.228 28.738 -0.039 0.000 0.907 554 Q HN 0.214 nan 8.270 nan 0.000 0.439 555 A N 0.755 123.413 122.820 -0.269 0.000 1.902 555 A HA -0.112 4.208 4.320 -0.000 0.000 0.217 555 A C 1.936 179.488 177.584 -0.053 0.000 1.181 555 A CA 1.164 53.084 52.037 -0.195 0.000 0.623 555 A CB -1.113 17.645 19.000 -0.403 0.000 0.818 555 A HN 0.517 nan 8.150 nan 0.000 0.443 556 F N -0.288 119.496 119.950 -0.276 0.000 2.091 556 F HA -0.254 4.273 4.527 -0.000 0.000 0.299 556 F C 2.755 178.465 175.800 -0.151 0.000 1.103 556 F CA 1.297 59.104 58.000 -0.322 0.000 1.228 556 F CB -0.228 38.381 39.000 -0.650 0.000 0.984 556 F HN 0.152 nan 8.300 nan 0.000 0.477 557 R N 0.080 120.647 120.500 0.112 0.000 2.148 557 R HA -0.186 4.154 4.340 -0.000 0.000 0.227 557 R C 2.040 178.382 176.300 0.070 0.000 1.103 557 R CA 1.290 57.438 56.100 0.080 0.000 0.983 557 R CB -0.396 29.944 30.300 0.067 0.000 0.874 557 R HN 0.445 nan 8.270 nan 0.000 0.451 558 Q N -0.451 119.422 119.800 0.122 0.000 2.402 558 Q HA -0.013 4.327 4.340 -0.000 0.000 0.206 558 Q C -0.611 175.438 176.000 0.082 0.000 0.919 558 Q CA 0.486 56.349 55.803 0.100 0.000 0.923 558 Q CB 0.563 29.376 28.738 0.126 0.000 1.048 558 Q HN 0.179 nan 8.270 nan 0.000 0.515 559 Y N 0.494 120.777 120.300 -0.028 0.000 2.345 559 Y HA 0.314 4.864 4.550 -0.000 0.000 0.331 559 Y C -1.792 174.083 175.900 -0.041 0.000 0.959 559 Y CA -2.908 55.174 58.100 -0.030 0.000 1.204 559 Y CB 1.552 39.998 38.460 -0.025 0.000 1.135 559 Y HN 0.069 nan 8.280 nan 0.000 0.477 560 P HA -0.246 nan 4.420 nan 0.000 0.217 560 P C 1.151 178.455 177.300 0.006 0.000 1.158 560 P CA 1.855 64.961 63.100 0.010 0.000 0.887 560 P CB 0.352 32.042 31.700 -0.016 0.000 0.792 561 R N -1.115 119.406 120.500 0.035 0.000 2.323 561 R HA 0.094 4.434 4.340 -0.000 0.000 0.198 561 R C 0.572 176.850 176.300 -0.036 0.000 0.988 561 R CA 0.148 56.248 56.100 0.000 0.000 1.041 561 R CB -0.481 29.828 30.300 0.015 0.000 0.926 561 R HN 0.288 nan 8.270 nan 0.000 0.476 562 L N 1.948 123.163 121.223 -0.013 0.000 2.282 562 L HA 0.154 4.494 4.340 -0.000 0.000 0.287 562 L C 0.671 177.396 176.870 -0.240 0.000 1.075 562 L CA 0.029 54.810 54.840 -0.098 0.000 0.839 562 L CB 1.271 43.339 42.059 0.014 0.000 1.219 562 L HN 0.001 nan 8.230 nan 0.000 0.434 563 Q N 2.904 122.500 119.800 -0.339 0.000 2.212 563 Q HA 0.342 4.681 4.340 -0.000 0.000 0.213 563 Q C 0.845 176.445 176.000 -0.668 0.000 0.874 563 Q CA 0.098 55.659 55.803 -0.404 0.000 0.965 563 Q CB 0.907 29.496 28.738 -0.249 0.000 1.074 563 Q HN 0.939 nan 8.270 nan 0.000 0.473 564 G N -0.328 107.714 108.800 -1.263 0.000 2.378 564 G HA2 0.154 4.114 3.960 -0.000 0.000 0.198 564 G HA3 0.154 4.114 3.960 -0.000 0.000 0.198 564 G C -0.365 173.777 174.900 -1.263 0.000 1.223 564 G CA -0.743 43.317 45.100 -1.734 0.000 1.088 564 G HN 0.586 nan 8.290 nan 0.000 0.530 565 G N -2.214 106.083 108.800 -0.840 0.000 2.349 565 G HA2 0.654 4.614 3.960 -0.000 0.000 0.294 565 G HA3 0.654 4.614 3.960 -0.000 0.000 0.294 565 G C -1.853 172.938 174.900 -0.181 0.000 1.380 565 G CA -0.308 44.500 45.100 -0.487 0.000 0.811 565 G HN 1.151 nan 8.290 nan 0.000 0.519 566 F N 0.494 120.679 119.950 0.392 0.000 2.449 566 F HA 0.551 5.078 4.527 -0.000 0.000 0.342 566 F C 0.716 176.824 175.800 0.513 0.000 1.127 566 F CA -0.802 57.463 58.000 0.441 0.000 0.975 566 F CB 2.156 41.315 39.000 0.264 0.000 1.146 566 F HN 0.266 nan 8.300 nan 0.000 0.444 567 V N 2.879 123.109 119.914 0.525 0.000 2.963 567 V HA -0.061 4.058 4.120 -0.000 0.000 0.306 567 V C -0.371 175.889 176.094 0.278 0.000 1.077 567 V CA -0.444 61.964 62.300 0.180 0.000 1.124 567 V CB 1.014 32.924 31.823 0.145 0.000 0.987 567 V HN 0.786 nan 8.190 nan 0.000 0.487 568 W N 5.995 127.361 121.300 0.111 0.000 2.336 568 W HA 0.470 5.130 4.660 -0.000 0.000 0.315 568 W C -1.055 175.490 176.519 0.042 0.000 1.016 568 W CA -0.656 56.795 57.345 0.176 0.000 1.318 568 W CB 1.421 31.129 29.460 0.413 0.000 1.247 568 W HN 0.924 nan 8.180 nan 0.000 0.414 569 D N 2.601 122.646 120.400 -0.592 0.000 2.812 569 D HA 0.114 4.754 4.640 -0.000 0.000 0.318 569 D C 0.782 176.865 176.300 -0.362 0.000 1.234 569 D CA -0.551 53.007 54.000 -0.736 0.000 0.989 569 D CB 0.238 40.051 40.800 -1.646 0.000 1.442 569 D HN 0.407 nan 8.370 nan 0.000 0.537 570 W N 0.560 121.553 121.300 -0.511 0.000 2.348 570 W HA 0.034 4.694 4.660 -0.000 0.000 0.324 570 W C -0.068 176.224 176.519 -0.378 0.000 1.209 570 W CA 1.485 58.585 57.345 -0.409 0.000 1.275 570 W CB 0.114 29.367 29.460 -0.345 0.000 1.175 570 W HN 0.203 nan 8.180 nan 0.000 0.461 571 V N 0.913 120.624 119.914 -0.339 0.000 2.919 571 V HA 0.296 4.416 4.120 -0.000 0.000 0.316 571 V C -0.448 175.452 176.094 -0.323 0.000 1.077 571 V CA -1.107 60.932 62.300 -0.436 0.000 0.977 571 V CB 1.349 33.050 31.823 -0.203 0.000 1.039 571 V HN -0.084 nan 8.190 nan 0.000 0.441 572 D N 1.580 121.809 120.400 -0.286 0.000 2.382 572 D HA 0.171 4.811 4.640 -0.000 0.000 0.245 572 D C -0.023 176.130 176.300 -0.244 0.000 1.120 572 D CA 0.203 54.082 54.000 -0.202 0.000 0.890 572 D CB 1.349 42.119 40.800 -0.050 0.000 1.201 572 D HN 0.607 nan 8.370 nan 0.000 0.433 573 Q N 0.996 120.585 119.800 -0.351 0.000 3.207 573 Q HA 0.154 4.493 4.340 -0.000 0.000 0.335 573 Q C -0.348 175.603 176.000 -0.083 0.000 1.374 573 Q CA -0.343 55.043 55.803 -0.696 0.000 1.023 573 Q CB 0.245 28.649 28.738 -0.557 0.000 1.576 573 Q HN 0.355 nan 8.270 nan 0.000 0.515 574 S N 0.022 115.802 115.700 0.133 0.000 2.549 574 S HA 0.698 5.168 4.470 -0.000 0.000 0.297 574 S C -0.283 174.493 174.600 0.293 0.000 1.115 574 S CA -0.815 57.568 58.200 0.305 0.000 1.059 574 S CB 1.562 64.907 63.200 0.243 0.000 1.046 574 S HN 0.317 nan 8.310 nan 0.000 0.506 575 L N 1.770 123.085 121.223 0.152 0.000 2.322 575 L HA 0.612 4.952 4.340 -0.000 0.000 0.269 575 L C -0.432 176.337 176.870 -0.170 0.000 1.012 575 L CA -1.136 53.664 54.840 -0.068 0.000 0.815 575 L CB 1.429 43.332 42.059 -0.260 0.000 1.295 575 L HN 0.630 nan 8.230 nan 0.000 0.438 576 I N 1.336 121.747 120.570 -0.265 0.000 2.440 576 I HA 0.298 4.468 4.170 -0.000 0.000 0.294 576 I C -0.018 175.707 176.117 -0.654 0.000 0.995 576 I CA 0.007 61.021 61.300 -0.477 0.000 1.306 576 I CB 1.079 38.822 38.000 -0.428 0.000 1.407 576 I HN 0.511 nan 8.210 nan 0.000 0.501 577 K N 4.237 123.944 120.400 -1.156 0.000 2.466 577 K HA 0.584 4.904 4.320 -0.000 0.000 0.260 577 K C -1.781 174.078 176.600 -1.235 0.000 1.011 577 K CA -0.874 54.710 56.287 -1.171 0.000 0.871 577 K CB 2.340 33.886 32.500 -1.590 0.000 1.404 577 K HN 0.257 nan 8.250 nan 0.000 0.450 578 Y N 0.472 120.620 120.300 -0.254 0.000 2.499 578 Y HA 0.180 4.730 4.550 -0.000 0.000 0.347 578 Y C -0.075 176.008 175.900 0.304 0.000 0.987 578 Y CA -1.089 57.047 58.100 0.059 0.000 1.044 578 Y CB 1.375 39.844 38.460 0.015 0.000 1.245 578 Y HN 0.647 nan 8.280 nan 0.000 0.461 579 D N 0.104 120.798 120.400 0.490 0.000 2.388 579 D HA 0.055 4.695 4.640 -0.000 0.000 0.254 579 D C 0.966 177.389 176.300 0.204 0.000 1.111 579 D CA -0.568 53.611 54.000 0.298 0.000 0.993 579 D CB 0.691 41.593 40.800 0.172 0.000 1.118 579 D HN 0.629 nan 8.370 nan 0.000 0.502 580 E N 0.870 121.140 120.200 0.117 0.000 2.219 580 E HA -0.265 4.085 4.350 -0.000 0.000 0.198 580 E C 0.216 176.854 176.600 0.063 0.000 0.998 580 E CA 1.090 57.532 56.400 0.070 0.000 0.818 580 E CB -0.799 28.923 29.700 0.037 0.000 0.741 580 E HN 0.484 nan 8.360 nan 0.000 0.477 581 N N 1.121 119.868 118.700 0.077 0.000 2.421 581 N HA 0.125 4.865 4.740 -0.000 0.000 0.201 581 N C 0.847 176.410 175.510 0.089 0.000 1.198 581 N CA 0.837 53.927 53.050 0.066 0.000 0.838 581 N CB 0.253 38.774 38.487 0.056 0.000 1.011 581 N HN 0.411 nan 8.380 nan 0.000 0.463 582 G N 0.681 109.551 108.800 0.116 0.000 2.249 582 G HA2 -0.286 3.674 3.960 -0.000 0.000 0.273 582 G HA3 -0.286 3.674 3.960 -0.000 0.000 0.273 582 G C -0.439 174.640 174.900 0.299 0.000 1.036 582 G CA -0.265 44.909 45.100 0.124 0.000 0.824 582 G HN 0.305 nan 8.290 nan 0.000 0.504 583 N N 1.115 120.013 118.700 0.331 0.000 2.438 583 N HA 0.499 5.239 4.740 -0.000 0.000 0.282 583 N C -2.471 173.234 175.510 0.325 0.000 1.037 583 N CA -1.488 51.747 53.050 0.309 0.000 0.942 583 N CB 2.056 40.664 38.487 0.203 0.000 1.136 583 N HN 0.140 nan 8.380 nan 0.000 0.481 584 P HA 0.327 nan 4.420 nan 0.000 0.284 584 P C -0.584 176.641 177.300 -0.124 0.000 1.253 584 P CA -0.365 62.475 63.100 -0.432 0.000 0.800 584 P CB 0.674 32.161 31.700 -0.355 0.000 0.961 585 W N -0.215 120.826 121.300 -0.432 0.000 3.296 585 W HA 0.372 5.032 4.660 -0.000 0.000 0.314 585 W C -1.476 174.846 176.519 -0.328 0.000 1.238 585 W CA -0.994 56.123 57.345 -0.379 0.000 1.193 585 W CB 0.195 29.290 29.460 -0.608 0.000 1.383 585 W HN 0.140 nan 8.180 nan 0.000 0.545 586 S N 1.933 117.634 115.700 0.002 0.000 2.488 586 S HA 0.539 5.009 4.470 -0.000 0.000 0.278 586 S C 0.263 174.966 174.600 0.172 0.000 1.259 586 S CA -0.160 58.052 58.200 0.021 0.000 1.061 586 S CB 0.893 64.168 63.200 0.125 0.000 0.910 586 S HN 0.655 nan 8.310 nan 0.000 0.491 587 A N 2.816 125.616 122.820 -0.033 0.000 2.311 587 A HA 0.897 5.217 4.320 -0.000 0.000 0.334 587 A C -0.622 177.220 177.584 0.431 0.000 1.139 587 A CA -0.789 51.297 52.037 0.083 0.000 0.830 587 A CB 0.717 19.543 19.000 -0.289 0.000 1.234 587 A HN 0.878 nan 8.150 nan 0.000 0.483 588 Y N -1.103 119.524 120.300 0.545 0.000 2.974 588 Y HA 0.749 5.299 4.550 -0.000 0.000 0.310 588 Y C 0.592 176.833 175.900 0.567 0.000 1.526 588 Y CA -1.326 57.077 58.100 0.505 0.000 1.087 588 Y CB -0.035 38.542 38.460 0.194 0.000 1.404 588 Y HN 1.000 nan 8.280 nan 0.000 0.491 589 G N 0.085 109.266 108.800 0.635 0.000 2.187 589 G HA2 0.356 4.316 3.960 -0.000 0.000 0.239 589 G HA3 0.356 4.316 3.960 -0.000 0.000 0.239 589 G C 1.028 176.263 174.900 0.559 0.000 1.200 589 G CA 0.574 45.993 45.100 0.531 0.000 0.888 589 G HN 2.041 nan 8.290 nan 0.000 0.482 590 G N 2.306 111.401 108.800 0.491 0.000 2.234 590 G HA2 -0.299 3.661 3.960 -0.000 0.000 0.260 590 G HA3 -0.299 3.661 3.960 -0.000 0.000 0.260 590 G C 0.917 176.033 174.900 0.361 0.000 0.987 590 G CA 0.766 46.096 45.100 0.383 0.000 0.625 590 G HN 0.671 nan 8.290 nan 0.000 0.532 591 D N -0.324 120.328 120.400 0.420 0.000 2.378 591 D HA 0.110 4.750 4.640 -0.000 0.000 0.222 591 D C 1.264 177.459 176.300 -0.174 0.000 0.980 591 D CA 0.625 54.714 54.000 0.148 0.000 0.907 591 D CB -0.207 40.640 40.800 0.078 0.000 0.899 591 D HN 0.479 nan 8.370 nan 0.000 0.527 592 F N -1.042 119.030 119.950 0.203 0.000 2.735 592 F HA 0.332 4.859 4.527 -0.000 0.000 0.304 592 F C 1.745 177.635 175.800 0.150 0.000 1.119 592 F CA -0.358 57.727 58.000 0.141 0.000 1.280 592 F CB 0.515 39.590 39.000 0.126 0.000 0.994 592 F HN -0.078 nan 8.300 nan 0.000 0.520 593 G N 0.602 109.565 108.800 0.271 0.000 2.175 593 G HA2 -0.304 3.656 3.960 -0.000 0.000 0.265 593 G HA3 -0.304 3.656 3.960 -0.000 0.000 0.265 593 G C -0.066 174.979 174.900 0.242 0.000 0.979 593 G CA 0.324 45.550 45.100 0.212 0.000 0.663 593 G HN 0.461 nan 8.290 nan 0.000 0.533 594 D N 0.530 121.129 120.400 0.332 0.000 2.450 594 D HA 0.402 5.042 4.640 -0.000 0.000 0.247 594 D C -0.015 176.418 176.300 0.221 0.000 1.162 594 D CA 0.656 54.838 54.000 0.304 0.000 0.879 594 D CB 1.130 42.172 40.800 0.403 0.000 1.163 594 D HN 0.072 nan 8.370 nan 0.000 0.472 595 T N 2.386 117.039 114.554 0.164 0.000 2.952 595 T HA 0.460 4.810 4.350 -0.000 0.000 0.305 595 T C -2.359 172.383 174.700 0.069 0.000 1.064 595 T CA -0.945 61.219 62.100 0.107 0.000 1.008 595 T CB 2.002 70.928 68.868 0.097 0.000 1.078 595 T HN 0.389 nan 8.240 nan 0.000 0.459 596 P HA 0.530 nan 4.420 nan 0.000 0.279 596 P C -1.099 176.192 177.300 -0.016 0.000 1.276 596 P CA -0.665 62.436 63.100 0.002 0.000 0.801 596 P CB 0.750 32.424 31.700 -0.043 0.000 1.127 597 N N -1.279 117.412 118.700 -0.016 0.000 2.732 597 N HA 0.161 4.901 4.740 -0.000 0.000 0.259 597 N C -1.271 174.202 175.510 -0.060 0.000 1.402 597 N CA -0.546 52.479 53.050 -0.041 0.000 0.829 597 N CB 1.320 39.881 38.487 0.124 0.000 1.495 597 N HN 0.211 nan 8.380 nan 0.000 0.511 598 D N 0.211 120.553 120.400 -0.098 0.000 2.772 598 D HA 0.149 4.789 4.640 -0.000 0.000 0.272 598 D C 0.594 177.125 176.300 0.384 0.000 1.314 598 D CA -0.218 53.800 54.000 0.030 0.000 0.835 598 D CB 0.846 41.490 40.800 -0.260 0.000 1.080 598 D HN 0.590 nan 8.370 nan 0.000 0.482 599 R N 0.293 120.995 120.500 0.337 0.000 3.587 599 R HA -0.366 3.974 4.340 -0.000 0.000 0.556 599 R C 0.944 177.240 176.300 -0.007 0.000 0.241 599 R CA 1.455 57.725 56.100 0.285 0.000 1.724 599 R CB -1.359 29.017 30.300 0.127 0.000 0.885 599 R HN 0.067 nan 8.270 nan 0.000 0.613 600 Q N 0.642 120.125 119.800 -0.528 0.000 2.437 600 Q HA 0.104 4.444 4.340 -0.000 0.000 0.210 600 Q C 1.810 177.526 176.000 -0.474 0.000 0.972 600 Q CA 1.532 56.862 55.803 -0.788 0.000 0.903 600 Q CB -0.223 27.921 28.738 -0.990 0.000 0.967 600 Q HN 0.436 nan 8.270 nan 0.000 0.486 601 F N 0.681 120.528 119.950 -0.172 0.000 2.271 601 F HA -0.251 4.276 4.527 -0.000 0.000 0.302 601 F C 1.876 177.625 175.800 -0.085 0.000 1.063 601 F CA 1.043 59.031 58.000 -0.020 0.000 1.362 601 F CB -0.442 38.610 39.000 0.087 0.000 1.060 601 F HN 0.325 nan 8.300 nan 0.000 0.521 602 C N -1.378 117.668 119.300 -0.424 0.000 2.539 602 C HA 0.180 4.640 4.460 -0.000 0.000 0.271 602 C C 1.002 175.796 174.990 -0.327 0.000 1.412 602 C CA -0.485 58.136 59.018 -0.663 0.000 1.729 602 C CB -1.893 24.945 27.740 -1.502 0.000 1.739 602 C HN 0.204 nan 8.230 nan 0.000 0.570 603 M N 3.158 122.604 119.600 -0.255 0.000 2.060 603 M HA 0.321 4.801 4.480 -0.000 0.000 0.342 603 M C -0.433 175.753 176.300 -0.191 0.000 1.031 603 M CA 0.232 55.414 55.300 -0.197 0.000 0.981 603 M CB 0.394 32.901 32.600 -0.155 0.000 1.376 603 M HN 0.274 nan 8.290 nan 0.000 0.397 604 N N 1.556 120.141 118.700 -0.191 0.000 2.307 604 N HA 0.168 4.908 4.740 -0.000 0.000 0.248 604 N C 0.176 175.481 175.510 -0.341 0.000 1.322 604 N CA -0.127 52.771 53.050 -0.252 0.000 0.861 604 N CB 1.298 39.692 38.487 -0.155 0.000 1.303 604 N HN 0.669 nan 8.380 nan 0.000 0.498 605 G N 0.035 108.595 108.800 -0.399 0.000 2.528 605 G HA2 0.471 4.431 3.960 -0.000 0.000 0.289 605 G HA3 0.471 4.431 3.960 -0.000 0.000 0.289 605 G C 0.880 175.315 174.900 -0.774 0.000 1.192 605 G CA -0.506 44.260 45.100 -0.558 0.000 0.921 605 G HN 0.102 nan 8.290 nan 0.000 0.512 606 L N -0.416 120.348 121.223 -0.765 0.000 2.446 606 L HA 0.164 4.504 4.340 -0.000 0.000 0.219 606 L C 0.690 176.918 176.870 -1.070 0.000 1.116 606 L CA 0.238 54.629 54.840 -0.749 0.000 0.844 606 L CB -0.146 41.641 42.059 -0.454 0.000 0.970 606 L HN 0.378 nan 8.230 nan 0.000 0.457 607 V N -5.234 113.942 119.914 -1.230 0.000 3.040 607 V HA 0.471 4.591 4.120 -0.000 0.000 0.312 607 V C -0.429 175.194 176.094 -0.786 0.000 1.115 607 V CA -1.242 60.470 62.300 -0.980 0.000 0.998 607 V CB 1.709 33.011 31.823 -0.868 0.000 1.042 607 V HN -0.136 nan 8.190 nan 0.000 0.433 608 F N 1.250 121.061 119.950 -0.231 0.000 2.444 608 F HA 0.558 5.085 4.527 -0.000 0.000 0.331 608 F C 1.941 177.650 175.800 -0.151 0.000 1.167 608 F CA 0.371 58.344 58.000 -0.046 0.000 1.262 608 F CB 1.407 40.413 39.000 0.010 0.000 1.196 608 F HN 0.813 nan 8.300 nan 0.000 0.583 609 A N 1.214 124.113 122.820 0.132 0.000 1.997 609 A HA -0.294 4.026 4.320 -0.000 0.000 0.221 609 A C 1.612 179.159 177.584 -0.062 0.000 1.172 609 A CA 2.180 54.231 52.037 0.022 0.000 0.645 609 A CB -1.148 17.895 19.000 0.071 0.000 0.813 609 A HN 0.879 nan 8.150 nan 0.000 0.454 610 D N -2.895 117.489 120.400 -0.026 0.000 2.378 610 D HA 0.117 4.757 4.640 -0.000 0.000 0.227 610 D C 0.637 176.915 176.300 -0.037 0.000 1.012 610 D CA 0.364 54.324 54.000 -0.066 0.000 0.905 610 D CB -0.142 40.623 40.800 -0.057 0.000 0.895 610 D HN 0.256 nan 8.370 nan 0.000 0.532 611 R N -1.035 119.443 120.500 -0.036 0.000 3.515 611 R HA -0.109 4.231 4.340 -0.000 0.000 0.292 611 R C -0.782 175.505 176.300 -0.022 0.000 1.148 611 R CA 1.039 57.096 56.100 -0.071 0.000 0.786 611 R CB -3.110 27.179 30.300 -0.019 0.000 1.327 611 R HN 0.548 nan 8.270 nan 0.000 0.454 612 T N -2.142 112.459 114.554 0.079 0.000 2.779 612 T HA 0.718 5.068 4.350 -0.000 0.000 0.280 612 T C -2.471 172.372 174.700 0.238 0.000 0.987 612 T CA -2.422 59.771 62.100 0.156 0.000 0.966 612 T CB 2.434 71.390 68.868 0.145 0.000 0.933 612 T HN -0.175 nan 8.240 nan 0.000 0.442 613 P HA 0.093 nan 4.420 nan 0.000 0.267 613 P C -0.181 177.162 177.300 0.072 0.000 1.200 613 P CA -0.008 63.077 63.100 -0.026 0.000 0.772 613 P CB 0.249 31.948 31.700 -0.002 0.000 0.855 614 H N 2.932 121.800 119.070 -0.337 0.000 2.508 614 H HA 0.165 4.721 4.556 -0.000 0.000 0.344 614 H C -1.191 174.029 175.328 -0.180 0.000 1.192 614 H CA -2.123 53.712 56.048 -0.356 0.000 1.290 614 H CB 0.863 30.381 29.762 -0.406 0.000 1.571 614 H HN 0.308 nan 8.280 nan 0.000 0.555 615 P HA -0.137 nan 4.420 nan 0.000 0.218 615 P C 1.249 178.545 177.300 -0.006 0.000 1.149 615 P CA 1.276 64.362 63.100 -0.024 0.000 0.817 615 P CB -0.052 31.625 31.700 -0.038 0.000 0.785 616 A N 0.186 123.004 122.820 -0.004 0.000 1.958 616 A HA -0.225 4.095 4.320 -0.000 0.000 0.221 616 A C 2.153 179.686 177.584 -0.085 0.000 1.178 616 A CA 1.683 53.683 52.037 -0.061 0.000 0.642 616 A CB -1.750 17.190 19.000 -0.100 0.000 0.816 616 A HN 0.167 nan 8.150 nan 0.000 0.453 617 L N 0.016 121.203 121.223 -0.060 0.000 2.089 617 L HA -0.208 4.132 4.340 -0.000 0.000 0.213 617 L C 2.493 179.397 176.870 0.058 0.000 1.079 617 L CA 2.834 57.669 54.840 -0.008 0.000 0.758 617 L CB -1.010 41.043 42.059 -0.009 0.000 0.891 617 L HN 0.451 nan 8.230 nan 0.000 0.433 618 T N -1.335 113.258 114.554 0.065 0.000 2.737 618 T HA -0.207 4.143 4.350 -0.000 0.000 0.265 618 T C 1.713 176.514 174.700 0.168 0.000 1.038 618 T CA 1.356 63.545 62.100 0.149 0.000 1.144 618 T CB -0.237 68.703 68.868 0.120 0.000 0.866 618 T HN 0.364 nan 8.240 nan 0.000 0.434 619 E N 1.547 121.795 120.200 0.081 0.000 2.085 619 E HA -0.120 4.230 4.350 -0.000 0.000 0.194 619 E C 2.235 178.863 176.600 0.046 0.000 0.994 619 E CA 1.408 57.865 56.400 0.096 0.000 0.801 619 E CB -0.567 29.154 29.700 0.034 0.000 0.743 619 E HN 0.454 nan 8.360 nan 0.000 0.453 620 A N 0.993 123.739 122.820 -0.123 0.000 1.865 620 A HA -0.285 4.035 4.320 -0.000 0.000 0.217 620 A C 2.187 179.694 177.584 -0.128 0.000 1.191 620 A CA 2.216 54.156 52.037 -0.161 0.000 0.623 620 A CB -0.774 18.115 19.000 -0.184 0.000 0.826 620 A HN 0.310 nan 8.150 nan 0.000 0.444 621 K N -1.296 119.092 120.400 -0.020 0.000 2.044 621 K HA -0.311 4.009 4.320 -0.000 0.000 0.210 621 K C 2.065 178.577 176.600 -0.148 0.000 1.049 621 K CA 2.161 58.438 56.287 -0.017 0.000 0.927 621 K CB -0.381 32.243 32.500 0.206 0.000 0.713 621 K HN 0.649 nan 8.250 nan 0.000 0.443 622 H N 0.431 119.347 119.070 -0.256 0.000 2.293 622 H HA -0.057 4.499 4.556 -0.000 0.000 0.300 622 H C 1.948 176.996 175.328 -0.467 0.000 1.082 622 H CA 1.989 57.689 56.048 -0.580 0.000 1.308 622 H CB -0.109 29.348 29.762 -0.508 0.000 1.375 622 H HN 0.248 nan 8.280 nan 0.000 0.495 623 Q N 0.248 119.751 119.800 -0.495 0.000 2.291 623 Q HA -0.117 4.223 4.340 -0.000 0.000 0.206 623 Q C 1.722 177.169 176.000 -0.923 0.000 0.976 623 Q CA 1.352 56.774 55.803 -0.636 0.000 0.875 623 Q CB -0.042 28.436 28.738 -0.433 0.000 0.927 623 Q HN 0.727 nan 8.270 nan 0.000 0.450 624 Q N 0.572 119.833 119.800 -0.897 0.000 2.319 624 Q HA 0.038 4.378 4.340 -0.000 0.000 0.202 624 Q C 0.066 175.511 176.000 -0.924 0.000 0.896 624 Q CA -0.265 54.884 55.803 -1.089 0.000 0.942 624 Q CB 0.302 28.423 28.738 -1.029 0.000 1.083 624 Q HN 0.466 nan 8.270 nan 0.000 0.510 625 Q N -0.417 118.980 119.800 -0.672 0.000 2.414 625 Q HA -0.060 4.280 4.340 -0.000 0.000 0.288 625 Q C -0.241 175.344 176.000 -0.691 0.000 1.086 625 Q CA 0.407 55.915 55.803 -0.493 0.000 0.943 625 Q CB 0.301 28.907 28.738 -0.220 0.000 1.282 625 Q HN 0.186 nan 8.270 nan 0.000 0.438 626 F N -0.150 119.545 119.950 -0.426 0.000 2.797 626 F HA 0.264 4.791 4.527 -0.000 0.000 0.302 626 F C -0.130 175.106 175.800 -0.939 0.000 1.130 626 F CA 0.014 57.519 58.000 -0.824 0.000 1.387 626 F CB 0.428 38.580 39.000 -1.413 0.000 1.107 626 F HN 0.345 nan 8.300 nan 0.000 0.577 627 F N 0.070 119.912 119.950 -0.180 0.000 2.532 627 F HA 0.489 5.016 4.527 -0.000 0.000 0.321 627 F C -0.234 175.231 175.800 -0.558 0.000 1.089 627 F CA -1.077 56.731 58.000 -0.321 0.000 0.926 627 F CB 1.369 40.200 39.000 -0.282 0.000 1.168 627 F HN -0.330 nan 8.300 nan 0.000 0.459 628 Q N 3.082 122.610 119.800 -0.453 0.000 2.353 628 Q HA 0.513 4.853 4.340 -0.000 0.000 0.268 628 Q C -1.458 174.199 176.000 -0.573 0.000 1.045 628 Q CA -0.643 54.894 55.803 -0.444 0.000 0.811 628 Q CB 3.053 31.684 28.738 -0.179 0.000 1.305 628 Q HN 0.539 nan 8.270 nan 0.000 0.447 629 F N 0.466 120.541 119.950 0.208 0.000 2.522 629 F HA 0.610 5.137 4.527 -0.000 0.000 0.324 629 F C 0.549 176.585 175.800 0.392 0.000 1.077 629 F CA -0.843 57.356 58.000 0.332 0.000 0.944 629 F CB 1.904 41.223 39.000 0.531 0.000 1.175 629 F HN 0.113 nan 8.300 nan 0.000 0.468 630 R N 1.762 122.572 120.500 0.517 0.000 2.628 630 R HA 0.623 4.963 4.340 -0.000 0.000 0.288 630 R C -2.005 174.359 176.300 0.107 0.000 0.980 630 R CA -1.174 55.127 56.100 0.334 0.000 0.891 630 R CB 2.668 33.072 30.300 0.174 0.000 1.188 630 R HN 0.554 nan 8.270 nan 0.000 0.450 631 L N 1.375 122.548 121.223 -0.083 0.000 2.333 631 L HA 0.487 4.827 4.340 -0.000 0.000 0.280 631 L C -1.009 175.710 176.870 -0.251 0.000 1.004 631 L CA 0.086 54.652 54.840 -0.457 0.000 0.820 631 L CB 1.948 43.287 42.059 -1.200 0.000 1.247 631 L HN 0.484 nan 8.230 nan 0.000 0.416 632 S N 3.785 119.359 115.700 -0.210 0.000 2.789 632 S HA 0.669 5.139 4.470 -0.000 0.000 0.286 632 S C 0.449 174.962 174.600 -0.143 0.000 1.153 632 S CA 0.201 58.319 58.200 -0.137 0.000 1.084 632 S CB 0.255 63.409 63.200 -0.076 0.000 1.036 632 S HN 1.461 nan 8.310 nan 0.000 0.484 633 G N 4.318 113.032 108.800 -0.144 0.000 2.620 633 G HA2 -0.301 3.659 3.960 -0.000 0.000 0.315 633 G HA3 -0.301 3.659 3.960 -0.000 0.000 0.315 633 G C 0.437 175.236 174.900 -0.169 0.000 1.179 633 G CA 0.717 45.738 45.100 -0.132 0.000 0.971 633 G HN 0.652 nan 8.290 nan 0.000 0.544 634 Q N 1.346 121.055 119.800 -0.151 0.000 2.198 634 Q HA 0.215 4.555 4.340 -0.000 0.000 0.209 634 Q C 0.012 175.897 176.000 -0.192 0.000 0.848 634 Q CA 0.668 56.362 55.803 -0.181 0.000 0.974 634 Q CB 0.842 29.490 28.738 -0.149 0.000 1.115 634 Q HN 0.569 nan 8.270 nan 0.000 0.494 635 T N 0.812 115.263 114.554 -0.171 0.000 2.797 635 T HA 0.538 4.888 4.350 -0.000 0.000 0.279 635 T C 0.082 174.686 174.700 -0.161 0.000 0.991 635 T CA -0.390 61.625 62.100 -0.142 0.000 0.979 635 T CB 1.577 70.393 68.868 -0.087 0.000 0.943 635 T HN 0.020 nan 8.240 nan 0.000 0.444 636 I N 2.407 122.905 120.570 -0.119 0.000 2.336 636 I HA 0.327 4.497 4.170 -0.000 0.000 0.292 636 I C 0.477 176.626 176.117 0.053 0.000 0.991 636 I CA -0.661 60.601 61.300 -0.063 0.000 1.227 636 I CB 1.421 39.414 38.000 -0.012 0.000 1.366 636 I HN 0.625 nan 8.210 nan 0.000 0.466 637 E N 6.511 126.768 120.200 0.095 0.000 2.156 637 E HA 0.493 4.843 4.350 -0.000 0.000 0.279 637 E C -1.545 175.161 176.600 0.177 0.000 0.965 637 E CA -0.588 55.879 56.400 0.112 0.000 0.789 637 E CB 1.609 31.354 29.700 0.076 0.000 1.098 637 E HN 0.363 nan 8.360 nan 0.000 0.397 638 V N 3.640 123.633 119.914 0.132 0.000 2.555 638 V HA 0.418 4.538 4.120 -0.000 0.000 0.302 638 V C -0.159 175.954 176.094 0.031 0.000 1.038 638 V CA -0.703 61.641 62.300 0.072 0.000 0.887 638 V CB 1.911 33.808 31.823 0.123 0.000 0.991 638 V HN 0.726 nan 8.190 nan 0.000 0.434 639 T N 2.549 117.079 114.554 -0.040 0.000 2.861 639 T HA 0.386 4.736 4.350 -0.000 0.000 0.287 639 T C -0.296 174.398 174.700 -0.010 0.000 1.003 639 T CA -0.368 61.723 62.100 -0.015 0.000 0.977 639 T CB 1.689 70.529 68.868 -0.046 0.000 0.996 639 T HN 0.681 nan 8.240 nan 0.000 0.448 640 S N 1.552 117.253 115.700 0.002 0.000 2.457 640 S HA 0.241 4.711 4.470 -0.000 0.000 0.289 640 S C 0.641 175.132 174.600 -0.181 0.000 1.163 640 S CA -0.585 57.560 58.200 -0.091 0.000 1.078 640 S CB 0.491 63.709 63.200 0.031 0.000 0.987 640 S HN 0.697 nan 8.310 nan 0.000 0.482 641 E N 3.428 123.422 120.200 -0.344 0.000 2.451 641 E HA 0.094 4.444 4.350 -0.000 0.000 0.194 641 E C -0.861 175.592 176.600 -0.246 0.000 1.027 641 E CA -0.069 56.172 56.400 -0.266 0.000 0.914 641 E CB 0.334 29.863 29.700 -0.286 0.000 1.054 641 E HN 0.677 nan 8.360 nan 0.000 0.461 642 Y N 0.329 120.520 120.300 -0.182 0.000 2.309 642 Y HA 0.102 4.652 4.550 -0.000 0.000 0.327 642 Y C 1.401 177.138 175.900 -0.272 0.000 1.172 642 Y CA -0.309 57.656 58.100 -0.225 0.000 1.280 642 Y CB 0.997 39.301 38.460 -0.260 0.000 1.234 642 Y HN -0.033 nan 8.280 nan 0.000 0.512 643 L N 1.436 122.496 121.223 -0.272 0.000 2.408 643 L HA 0.061 4.401 4.340 -0.000 0.000 0.215 643 L C 0.667 177.078 176.870 -0.765 0.000 1.081 643 L CA 0.747 55.173 54.840 -0.690 0.000 0.840 643 L CB 0.050 41.290 42.059 -1.365 0.000 1.002 643 L HN 0.672 nan 8.230 nan 0.000 0.468 644 F N -0.399 119.557 119.950 0.011 0.000 2.747 644 F HA 0.198 4.725 4.527 -0.000 0.000 0.305 644 F C 1.388 177.160 175.800 -0.048 0.000 1.065 644 F CA -0.805 57.173 58.000 -0.036 0.000 1.230 644 F CB 0.360 39.314 39.000 -0.076 0.000 1.027 644 F HN -0.106 nan 8.300 nan 0.000 0.607 645 R N -0.075 120.451 120.500 0.044 0.000 2.607 645 R HA 0.509 4.849 4.340 -0.000 0.000 0.261 645 R C -1.118 175.183 176.300 0.002 0.000 1.051 645 R CA -0.665 55.409 56.100 -0.043 0.000 1.110 645 R CB 0.659 30.832 30.300 -0.212 0.000 1.158 645 R HN 0.055 nan 8.270 nan 0.000 0.543 646 H N -0.415 118.626 119.070 -0.048 0.000 2.502 646 H HA 0.200 4.756 4.556 -0.000 0.000 0.338 646 H C -0.310 175.038 175.328 0.033 0.000 1.155 646 H CA -0.476 55.584 56.048 0.019 0.000 1.237 646 H CB 1.542 31.322 29.762 0.031 0.000 1.534 646 H HN 0.745 nan 8.280 nan 0.000 0.523 647 S N 2.300 117.809 115.700 -0.319 0.000 3.988 647 S HA -0.069 4.401 4.470 -0.000 0.000 0.180 647 S C 0.175 174.859 174.600 0.139 0.000 1.242 647 S CA 0.014 58.227 58.200 0.023 0.000 0.947 647 S CB -0.984 62.230 63.200 0.023 0.000 1.519 647 S HN 0.722 nan 8.310 nan 0.000 0.439 648 D N 0.304 120.807 120.400 0.171 0.000 2.319 648 D HA 0.032 4.672 4.640 -0.000 0.000 0.230 648 D C 0.423 176.783 176.300 0.101 0.000 1.094 648 D CA -0.200 53.901 54.000 0.168 0.000 0.856 648 D CB -0.232 40.659 40.800 0.151 0.000 0.915 648 D HN 0.466 nan 8.370 nan 0.000 0.517 649 N N 0.012 118.770 118.700 0.097 0.000 2.622 649 N HA 0.120 4.860 4.740 -0.000 0.000 0.293 649 N C -1.546 174.018 175.510 0.091 0.000 1.788 649 N CA -0.233 52.864 53.050 0.078 0.000 0.860 649 N CB 0.299 38.822 38.487 0.059 0.000 1.388 649 N HN -0.053 nan 8.380 nan 0.000 0.496 650 E N 0.109 120.357 120.200 0.080 0.000 2.246 650 E HA 0.435 4.785 4.350 -0.000 0.000 0.266 650 E C -1.522 175.096 176.600 0.030 0.000 0.880 650 E CA -0.604 55.824 56.400 0.046 0.000 0.762 650 E CB 1.920 31.620 29.700 0.000 0.000 1.180 650 E HN 0.064 nan 8.360 nan 0.000 0.416 651 L N 3.539 124.773 121.223 0.017 0.000 2.341 651 L HA 0.544 4.884 4.340 -0.000 0.000 0.278 651 L C -1.469 175.426 176.870 0.042 0.000 1.005 651 L CA -0.924 53.944 54.840 0.046 0.000 0.818 651 L CB 1.520 43.608 42.059 0.047 0.000 1.259 651 L HN 0.595 nan 8.230 nan 0.000 0.418 652 L N 5.073 126.381 121.223 0.142 0.000 2.276 652 L HA 0.452 4.792 4.340 -0.000 0.000 0.286 652 L C -0.704 176.374 176.870 0.346 0.000 1.024 652 L CA 0.040 54.994 54.840 0.191 0.000 0.826 652 L CB 0.446 42.624 42.059 0.199 0.000 1.211 652 L HN 0.584 nan 8.230 nan 0.000 0.422 653 H N 5.808 124.926 119.070 0.080 0.000 2.467 653 H HA 0.384 4.940 4.556 -0.000 0.000 0.326 653 H C -1.120 174.268 175.328 0.100 0.000 1.094 653 H CA -0.737 55.315 56.048 0.006 0.000 1.253 653 H CB 0.946 30.683 29.762 -0.042 0.000 1.439 653 H HN 0.705 nan 8.280 nan 0.000 0.479 654 W N 3.608 124.979 121.300 0.119 0.000 2.929 654 W HA 0.589 5.249 4.660 -0.000 0.000 0.345 654 W C -1.481 175.073 176.519 0.058 0.000 1.151 654 W CA -1.432 55.967 57.345 0.091 0.000 1.111 654 W CB 1.622 31.128 29.460 0.076 0.000 1.449 654 W HN 0.611 nan 8.180 nan 0.000 0.572 655 M N 1.195 121.166 119.600 0.618 0.000 2.569 655 M HA 0.538 5.018 4.480 -0.000 0.000 0.287 655 M C -2.643 173.911 176.300 0.425 0.000 1.130 655 M CA -0.562 54.976 55.300 0.397 0.000 0.885 655 M CB 1.734 34.338 32.600 0.006 0.000 1.759 655 M HN 0.126 nan 8.290 nan 0.000 0.515 656 V N 2.349 122.493 119.914 0.383 0.000 2.513 656 V HA 1.043 5.163 4.120 -0.000 0.000 0.299 656 V C -0.187 176.021 176.094 0.190 0.000 1.035 656 V CA 0.049 62.522 62.300 0.287 0.000 0.889 656 V CB 1.293 33.281 31.823 0.274 0.000 0.988 656 V HN 1.150 nan 8.190 nan 0.000 0.440 657 A N 4.105 127.046 122.820 0.201 0.000 2.572 657 A HA 0.864 5.184 4.320 -0.000 0.000 0.295 657 A C -1.734 175.976 177.584 0.210 0.000 1.072 657 A CA -0.584 51.543 52.037 0.150 0.000 0.691 657 A CB 1.779 20.821 19.000 0.069 0.000 1.291 657 A HN 0.773 nan 8.150 nan 0.000 0.404 658 L N 1.449 122.763 121.223 0.151 0.000 2.280 658 L HA 0.558 4.898 4.340 -0.000 0.000 0.287 658 L C -0.392 176.578 176.870 0.166 0.000 1.023 658 L CA 0.246 55.189 54.840 0.171 0.000 0.819 658 L CB 0.335 42.459 42.059 0.108 0.000 1.212 658 L HN 0.775 nan 8.230 nan 0.000 0.420 659 D N 4.739 125.304 120.400 0.275 0.000 2.733 659 D HA -0.211 4.429 4.640 -0.000 0.000 0.232 659 D C 1.184 177.512 176.300 0.046 0.000 1.161 659 D CA 1.589 55.732 54.000 0.240 0.000 0.653 659 D CB -1.007 39.904 40.800 0.185 0.000 1.052 659 D HN 1.172 nan 8.370 nan 0.000 0.424 660 G N -1.287 107.507 108.800 -0.010 0.000 2.213 660 G HA2 -0.345 3.615 3.960 -0.000 0.000 0.236 660 G HA3 -0.345 3.615 3.960 -0.000 0.000 0.236 660 G C 0.161 174.989 174.900 -0.120 0.000 0.991 660 G CA 0.280 45.271 45.100 -0.181 0.000 0.629 660 G HN 0.434 nan 8.290 nan 0.000 0.517 661 K N 2.206 122.586 120.400 -0.034 0.000 2.253 661 K HA 0.553 4.873 4.320 -0.000 0.000 0.277 661 K C -2.566 174.035 176.600 0.001 0.000 1.053 661 K CA -2.051 54.220 56.287 -0.027 0.000 0.892 661 K CB 1.823 34.318 32.500 -0.007 0.000 1.102 661 K HN 0.095 nan 8.250 nan 0.000 0.469 662 P HA 0.037 nan 4.420 nan 0.000 0.271 662 P C -0.229 177.079 177.300 0.013 0.000 1.220 662 P CA 0.036 63.131 63.100 -0.008 0.000 0.768 662 P CB 0.686 32.357 31.700 -0.049 0.000 0.848 663 L N 1.306 122.558 121.223 0.049 0.000 2.717 663 L HA 0.537 4.877 4.340 -0.000 0.000 0.239 663 L C 0.800 177.715 176.870 0.074 0.000 1.086 663 L CA 0.112 54.987 54.840 0.058 0.000 0.897 663 L CB 0.325 42.432 42.059 0.081 0.000 1.214 663 L HN 0.364 nan 8.230 nan 0.000 0.508 664 A N -0.085 122.796 122.820 0.101 0.000 2.594 664 A HA 0.713 5.033 4.320 -0.000 0.000 0.296 664 A C -0.941 176.618 177.584 -0.041 0.000 1.056 664 A CA -0.333 51.776 52.037 0.120 0.000 0.693 664 A CB 1.411 20.621 19.000 0.349 0.000 1.278 664 A HN -0.008 nan 8.150 nan 0.000 0.408 665 S N -0.359 115.059 115.700 -0.470 0.000 2.627 665 S HA 0.983 5.453 4.470 -0.000 0.000 0.283 665 S C -0.072 173.506 174.600 -1.704 0.000 1.127 665 S CA -0.340 57.220 58.200 -1.066 0.000 0.863 665 S CB 2.026 64.873 63.200 -0.589 0.000 1.121 665 S HN 2.115 nan 8.310 nan 0.000 0.479 666 G N -0.197 107.249 108.800 -2.258 0.000 2.677 666 G HA2 0.623 4.583 3.960 -0.000 0.000 0.291 666 G HA3 0.623 4.583 3.960 -0.000 0.000 0.291 666 G C -2.159 172.204 174.900 -0.893 0.000 1.435 666 G CA -0.598 43.591 45.100 -1.519 0.000 0.826 666 G HN 0.621 nan 8.290 nan 0.000 0.491 667 E N -0.536 119.492 120.200 -0.286 0.000 2.246 667 E HA 0.610 4.960 4.350 -0.000 0.000 0.266 667 E C -1.356 175.313 176.600 0.116 0.000 0.880 667 E CA -0.533 55.805 56.400 -0.103 0.000 0.762 667 E CB 2.591 32.190 29.700 -0.169 0.000 1.180 667 E HN 0.326 nan 8.360 nan 0.000 0.416 668 V N 5.731 125.768 119.914 0.205 0.000 2.668 668 V HA 0.432 4.552 4.120 -0.000 0.000 0.304 668 V C -2.425 173.763 176.094 0.157 0.000 1.071 668 V CA -1.842 60.569 62.300 0.185 0.000 0.894 668 V CB 2.058 34.007 31.823 0.210 0.000 1.008 668 V HN 0.623 nan 8.190 nan 0.000 0.425 669 P HA 0.255 nan 4.420 nan 0.000 0.276 669 P C -0.674 176.683 177.300 0.094 0.000 1.235 669 P CA -0.035 63.125 63.100 0.101 0.000 0.772 669 P CB 0.855 32.610 31.700 0.092 0.000 0.871 670 L N 3.115 124.380 121.223 0.070 0.000 2.350 670 L HA 0.314 4.654 4.340 -0.000 0.000 0.275 670 L C 0.510 177.428 176.870 0.080 0.000 1.099 670 L CA 0.232 55.102 54.840 0.049 0.000 0.808 670 L CB 0.572 42.609 42.059 -0.037 0.000 1.149 670 L HN 0.326 nan 8.230 nan 0.000 0.442 671 D N 2.255 122.705 120.400 0.084 0.000 2.429 671 D HA 0.386 5.026 4.640 -0.000 0.000 0.255 671 D C -1.328 174.992 176.300 0.034 0.000 1.257 671 D CA -0.062 54.032 54.000 0.158 0.000 0.890 671 D CB 0.985 41.914 40.800 0.214 0.000 1.267 671 D HN 0.101 nan 8.370 nan 0.000 0.521 672 V N 0.520 120.266 119.914 -0.280 0.000 2.638 672 V HA 0.899 5.019 4.120 -0.000 0.000 0.306 672 V C 0.517 176.372 176.094 -0.398 0.000 1.052 672 V CA -1.417 60.775 62.300 -0.179 0.000 0.885 672 V CB 1.424 33.268 31.823 0.035 0.000 0.999 672 V HN 0.436 nan 8.190 nan 0.000 0.424 673 A N 5.597 128.392 122.820 -0.043 0.000 2.371 673 A HA 0.771 5.091 4.320 -0.000 0.000 0.257 673 A C -2.296 175.317 177.584 0.049 0.000 1.089 673 A CA -1.539 50.561 52.037 0.105 0.000 0.794 673 A CB -0.161 18.944 19.000 0.174 0.000 1.029 673 A HN 0.740 nan 8.150 nan 0.000 0.488 674 P HA -0.044 nan 4.420 nan 0.000 0.261 674 P C -0.396 176.903 177.300 -0.001 0.000 1.165 674 P CA 0.721 63.838 63.100 0.027 0.000 0.759 674 P CB 0.140 31.837 31.700 -0.004 0.000 0.772 675 Q N -1.238 118.545 119.800 -0.028 0.000 2.452 675 Q HA -0.187 4.153 4.340 -0.000 0.000 0.248 675 Q C 0.697 176.692 176.000 -0.008 0.000 0.874 675 Q CA 1.377 57.157 55.803 -0.038 0.000 1.208 675 Q CB -2.447 26.260 28.738 -0.051 0.000 1.569 675 Q HN 0.765 nan 8.270 nan 0.000 0.579 676 G N 0.289 109.098 108.800 0.015 0.000 2.552 676 G HA2 0.614 4.574 3.960 -0.000 0.000 0.318 676 G HA3 0.614 4.574 3.960 -0.000 0.000 0.318 676 G C -0.624 174.298 174.900 0.036 0.000 1.240 676 G CA -0.674 44.444 45.100 0.031 0.000 1.002 676 G HN -0.021 nan 8.290 nan 0.000 0.493 677 K N -0.460 119.965 120.400 0.042 0.000 2.259 677 K HA 0.466 4.786 4.320 -0.000 0.000 0.249 677 K C -0.833 175.803 176.600 0.060 0.000 0.942 677 K CA -0.547 55.768 56.287 0.047 0.000 0.816 677 K CB 2.379 34.901 32.500 0.037 0.000 1.155 677 K HN 0.530 nan 8.250 nan 0.000 0.428 678 Q N 3.332 123.173 119.800 0.069 0.000 2.323 678 Q HA 0.376 4.716 4.340 -0.000 0.000 0.271 678 Q C -1.557 174.487 176.000 0.073 0.000 1.048 678 Q CA -0.675 55.173 55.803 0.074 0.000 0.792 678 Q CB 1.374 30.161 28.738 0.083 0.000 1.280 678 Q HN 0.532 nan 8.270 nan 0.000 0.441 679 L N 5.097 126.355 121.223 0.058 0.000 2.289 679 L HA 0.538 4.878 4.340 -0.000 0.000 0.285 679 L C -0.449 176.445 176.870 0.040 0.000 1.049 679 L CA -0.678 54.188 54.840 0.044 0.000 0.804 679 L CB 1.199 43.273 42.059 0.026 0.000 1.195 679 L HN 0.625 nan 8.230 nan 0.000 0.428 680 I N 3.070 123.656 120.570 0.027 0.000 2.410 680 I HA 0.238 4.408 4.170 -0.000 0.000 0.286 680 I C -0.288 175.802 176.117 -0.045 0.000 1.009 680 I CA -0.739 60.569 61.300 0.012 0.000 1.111 680 I CB 2.027 40.054 38.000 0.045 0.000 1.262 680 I HN 0.466 nan 8.210 nan 0.000 0.443 681 E N 6.598 126.774 120.200 -0.040 0.000 2.223 681 E HA 0.389 4.739 4.350 -0.000 0.000 0.282 681 E C -0.642 175.889 176.600 -0.116 0.000 1.046 681 E CA -0.301 56.057 56.400 -0.069 0.000 0.857 681 E CB 1.364 31.042 29.700 -0.038 0.000 1.055 681 E HN 0.470 nan 8.360 nan 0.000 0.409 682 L N 6.160 127.276 121.223 -0.178 0.000 2.312 682 L HA 0.328 4.668 4.340 -0.000 0.000 0.281 682 L C -1.865 174.896 176.870 -0.182 0.000 1.070 682 L CA -1.903 52.775 54.840 -0.270 0.000 0.805 682 L CB 1.222 43.043 42.059 -0.397 0.000 1.174 682 L HN 0.233 nan 8.230 nan 0.000 0.434 683 P HA -0.011 nan 4.420 nan 0.000 0.270 683 P C -0.406 176.839 177.300 -0.091 0.000 1.223 683 P CA -0.321 62.738 63.100 -0.069 0.000 0.785 683 P CB 0.505 32.213 31.700 0.014 0.000 0.923 684 E N 0.999 121.171 120.200 -0.046 0.000 2.529 684 E HA 0.007 4.357 4.350 -0.000 0.000 0.259 684 E C -0.200 176.377 176.600 -0.038 0.000 0.966 684 E CA 0.287 56.660 56.400 -0.045 0.000 0.937 684 E CB 0.173 29.859 29.700 -0.023 0.000 0.923 684 E HN 0.329 nan 8.360 nan 0.000 0.468 685 L N 6.073 127.262 121.223 -0.057 0.000 2.357 685 L HA 0.334 4.674 4.340 -0.000 0.000 0.273 685 L C -1.941 174.924 176.870 -0.008 0.000 1.080 685 L CA -2.150 52.666 54.840 -0.039 0.000 0.803 685 L CB 0.630 42.646 42.059 -0.073 0.000 1.174 685 L HN 0.357 nan 8.230 nan 0.000 0.443 686 P HA 0.113 nan 4.420 nan 0.000 0.271 686 P C -1.087 176.223 177.300 0.017 0.000 1.216 686 P CA -0.313 62.803 63.100 0.027 0.000 0.776 686 P CB 0.650 32.381 31.700 0.050 0.000 0.881 687 Q N 2.332 122.140 119.800 0.013 0.000 2.965 687 Q HA 0.278 4.618 4.340 -0.000 0.000 0.288 687 Q C -2.129 173.879 176.000 0.013 0.000 0.974 687 Q CA -1.597 54.210 55.803 0.008 0.000 0.849 687 Q CB 0.101 28.838 28.738 -0.001 0.000 1.280 687 Q HN 0.388 nan 8.270 nan 0.000 0.441 688 P HA -0.065 nan 4.420 nan 0.000 0.267 688 P C 0.048 177.360 177.300 0.019 0.000 1.195 688 P CA 0.147 63.262 63.100 0.024 0.000 0.773 688 P CB 1.269 32.989 31.700 0.034 0.000 0.837 689 E N 0.198 120.410 120.200 0.020 0.000 2.099 689 E HA 0.013 4.363 4.350 -0.000 0.000 0.191 689 E C 0.540 177.153 176.600 0.022 0.000 0.962 689 E CA 0.493 56.904 56.400 0.018 0.000 0.826 689 E CB -0.589 29.120 29.700 0.016 0.000 0.788 689 E HN 0.530 nan 8.360 nan 0.000 0.461 690 S N 1.529 117.245 115.700 0.026 0.000 2.542 690 S HA 0.128 4.598 4.470 -0.000 0.000 0.287 690 S C 0.426 175.048 174.600 0.036 0.000 1.315 690 S CA 0.178 58.397 58.200 0.032 0.000 1.037 690 S CB 0.442 63.662 63.200 0.035 0.000 0.822 690 S HN 0.309 nan 8.310 nan 0.000 0.513 691 A N 1.394 124.239 122.820 0.041 0.000 2.322 691 A HA 0.785 5.105 4.320 -0.000 0.000 0.269 691 A C 0.864 178.485 177.584 0.061 0.000 1.094 691 A CA 0.208 52.272 52.037 0.045 0.000 0.807 691 A CB 0.004 19.032 19.000 0.047 0.000 1.047 691 A HN 1.864 nan 8.150 nan 0.000 0.487 692 G N -0.244 108.595 108.800 0.064 0.000 2.369 692 G HA2 0.320 4.280 3.960 -0.000 0.000 0.295 692 G HA3 0.320 4.280 3.960 -0.000 0.000 0.295 692 G C -1.279 173.667 174.900 0.077 0.000 1.298 692 G CA -0.891 44.265 45.100 0.093 0.000 0.940 692 G HN 0.849 nan 8.290 nan 0.000 0.536 693 Q N -0.608 119.270 119.800 0.130 0.000 2.290 693 Q HA 0.595 4.935 4.340 -0.000 0.000 0.259 693 Q C -0.667 175.419 176.000 0.143 0.000 0.941 693 Q CA -0.725 55.116 55.803 0.063 0.000 0.912 693 Q CB 2.088 30.900 28.738 0.124 0.000 1.244 693 Q HN 0.496 nan 8.270 nan 0.000 0.441 694 L N 4.028 125.224 121.223 -0.045 0.000 2.264 694 L HA 0.479 4.819 4.340 -0.000 0.000 0.289 694 L C -1.783 175.061 176.870 -0.043 0.000 1.044 694 L CA 0.051 54.917 54.840 0.044 0.000 0.807 694 L CB 0.414 42.472 42.059 -0.002 0.000 1.192 694 L HN 0.572 nan 8.230 nan 0.000 0.425 695 W N 5.413 126.779 121.300 0.109 0.000 2.915 695 W HA 0.563 5.223 4.660 -0.000 0.000 0.337 695 W C -1.063 175.561 176.519 0.175 0.000 1.102 695 W CA -0.715 56.717 57.345 0.146 0.000 1.224 695 W CB 1.683 31.255 29.460 0.187 0.000 1.416 695 W HN 0.279 nan 8.180 nan 0.000 0.503 696 L N 2.914 124.437 121.223 0.500 0.000 2.295 696 L HA 0.811 5.151 4.340 -0.000 0.000 0.285 696 L C -0.377 176.797 176.870 0.508 0.000 1.035 696 L CA 0.096 55.198 54.840 0.437 0.000 0.806 696 L CB 1.344 43.605 42.059 0.336 0.000 1.214 696 L HN 0.368 nan 8.230 nan 0.000 0.426 697 T N 4.838 119.635 114.554 0.405 0.000 2.881 697 T HA 0.644 4.994 4.350 -0.000 0.000 0.290 697 T C -0.861 174.021 174.700 0.302 0.000 1.000 697 T CA -0.454 61.837 62.100 0.319 0.000 0.978 697 T CB 1.610 70.600 68.868 0.204 0.000 0.997 697 T HN 0.615 nan 8.240 nan 0.000 0.443 698 V N 1.544 121.591 119.914 0.222 0.000 2.715 698 V HA 0.893 5.013 4.120 -0.000 0.000 0.310 698 V C -0.626 175.523 176.094 0.091 0.000 1.054 698 V CA -1.074 61.316 62.300 0.150 0.000 0.928 698 V CB 1.926 33.753 31.823 0.007 0.000 1.007 698 V HN 0.809 nan 8.190 nan 0.000 0.437 699 R N 1.898 122.474 120.500 0.126 0.000 2.771 699 R HA 0.843 5.183 4.340 -0.000 0.000 0.274 699 R C -1.713 174.647 176.300 0.101 0.000 0.987 699 R CA -0.652 55.531 56.100 0.138 0.000 0.908 699 R CB 2.717 33.066 30.300 0.082 0.000 1.213 699 R HN 0.725 nan 8.270 nan 0.000 0.468 700 V N 3.127 123.121 119.914 0.134 0.000 2.448 700 V HA 0.502 4.622 4.120 -0.000 0.000 0.295 700 V C -0.611 175.494 176.094 0.018 0.000 1.025 700 V CA -0.680 61.665 62.300 0.075 0.000 0.859 700 V CB 1.732 33.619 31.823 0.107 0.000 0.988 700 V HN 0.441 nan 8.190 nan 0.000 0.431 701 V N 4.226 124.095 119.914 -0.075 0.000 2.769 701 V HA 0.486 4.606 4.120 -0.000 0.000 0.312 701 V C -0.428 175.665 176.094 -0.002 0.000 1.061 701 V CA -0.845 61.405 62.300 -0.084 0.000 0.931 701 V CB 1.997 33.669 31.823 -0.251 0.000 1.010 701 V HN 0.875 nan 8.190 nan 0.000 0.433 702 Q N 3.881 123.713 119.800 0.052 0.000 2.465 702 Q HA 0.278 4.618 4.340 -0.000 0.000 0.237 702 Q C -1.838 174.180 176.000 0.029 0.000 1.051 702 Q CA -1.810 54.036 55.803 0.071 0.000 0.874 702 Q CB 1.814 30.625 28.738 0.122 0.000 1.207 702 Q HN 0.504 nan 8.270 nan 0.000 0.508 703 P HA -0.221 nan 4.420 nan 0.000 0.214 703 P C -0.532 176.769 177.300 0.002 0.000 1.163 703 P CA 1.403 64.512 63.100 0.015 0.000 0.889 703 P CB 0.264 31.980 31.700 0.027 0.000 0.790 704 N N -0.773 117.924 118.700 -0.007 0.000 2.473 704 N HA 0.435 5.175 4.740 -0.000 0.000 0.291 704 N C -0.224 175.243 175.510 -0.072 0.000 1.083 704 N CA -0.631 52.402 53.050 -0.028 0.000 0.951 704 N CB 0.805 39.279 38.487 -0.021 0.000 1.164 704 N HN 0.021 nan 8.380 nan 0.000 0.480 705 A N 0.742 123.510 122.820 -0.087 0.000 2.327 705 A HA 0.536 4.856 4.320 -0.000 0.000 0.255 705 A C 0.578 178.038 177.584 -0.206 0.000 1.099 705 A CA -0.101 51.842 52.037 -0.156 0.000 0.801 705 A CB 0.062 18.989 19.000 -0.122 0.000 1.062 705 A HN 0.724 nan 8.150 nan 0.000 0.496 706 T N -3.870 110.471 114.554 -0.355 0.000 2.831 706 T HA 0.613 4.963 4.350 -0.000 0.000 0.287 706 T C 0.874 175.382 174.700 -0.320 0.000 1.070 706 T CA 0.069 61.934 62.100 -0.391 0.000 1.010 706 T CB 1.102 69.488 68.868 -0.804 0.000 1.264 706 T HN 1.428 nan 8.240 nan 0.000 0.532 707 A N -0.050 122.683 122.820 -0.144 0.000 2.121 707 A HA 0.109 4.429 4.320 -0.000 0.000 0.218 707 A C 1.557 179.253 177.584 0.186 0.000 1.154 707 A CA 1.106 53.197 52.037 0.090 0.000 0.679 707 A CB -0.867 18.281 19.000 0.246 0.000 0.795 707 A HN 0.914 nan 8.150 nan 0.000 0.458 708 W N -0.955 120.392 121.300 0.078 0.000 2.714 708 W HA 0.431 5.091 4.660 -0.000 0.000 0.353 708 W C -0.173 176.307 176.519 -0.065 0.000 0.999 708 W CA 0.439 57.792 57.345 0.013 0.000 1.629 708 W CB -1.132 28.324 29.460 -0.008 0.000 1.106 708 W HN 0.418 nan 8.180 nan 0.000 0.545 709 S N 0.234 115.448 115.700 -0.810 0.000 2.541 709 S HA 0.416 4.886 4.470 -0.000 0.000 0.271 709 S C -0.500 173.834 174.600 -0.444 0.000 1.133 709 S CA -0.630 57.127 58.200 -0.739 0.000 0.876 709 S CB 2.771 65.125 63.200 -1.409 0.000 1.105 709 S HN 0.039 nan 8.310 nan 0.000 0.470 710 E N 0.881 120.934 120.200 -0.245 0.000 2.369 710 E HA 0.517 4.867 4.350 -0.000 0.000 0.255 710 E C 0.485 177.034 176.600 -0.085 0.000 1.172 710 E CA -0.372 55.960 56.400 -0.114 0.000 0.932 710 E CB 0.948 30.632 29.700 -0.027 0.000 1.040 710 E HN 0.882 nan 8.360 nan 0.000 0.454 711 A N -0.340 122.452 122.820 -0.046 0.000 2.351 711 A HA 0.468 4.788 4.320 -0.000 0.000 0.257 711 A C 0.991 178.583 177.584 0.014 0.000 1.087 711 A CA 0.457 52.479 52.037 -0.024 0.000 0.798 711 A CB 0.017 19.005 19.000 -0.020 0.000 1.033 711 A HN 0.720 nan 8.150 nan 0.000 0.488 712 G N 0.008 108.822 108.800 0.022 0.000 2.147 712 G HA2 -0.229 3.731 3.960 -0.000 0.000 0.244 712 G HA3 -0.229 3.731 3.960 -0.000 0.000 0.244 712 G C 0.103 175.038 174.900 0.058 0.000 1.005 712 G CA 0.739 45.852 45.100 0.022 0.000 0.713 712 G HN 1.626 nan 8.290 nan 0.000 0.515 713 H N 0.171 119.230 119.070 -0.017 0.000 2.732 713 H HA 0.515 5.071 4.556 -0.000 0.000 0.351 713 H C 0.458 175.828 175.328 0.070 0.000 1.090 713 H CA -0.630 55.433 56.048 0.025 0.000 1.431 713 H CB 0.341 30.108 29.762 0.008 0.000 1.447 713 H HN 0.043 nan 8.280 nan 0.000 0.582 714 I N 4.734 125.025 120.570 -0.465 0.000 2.325 714 I HA 0.020 4.190 4.170 -0.000 0.000 0.291 714 I C 1.161 177.103 176.117 -0.292 0.000 1.019 714 I CA 0.064 61.209 61.300 -0.258 0.000 1.302 714 I CB 0.632 38.556 38.000 -0.125 0.000 1.401 714 I HN 0.829 nan 8.210 nan 0.000 0.485 715 S N 4.046 119.789 115.700 0.071 0.000 2.505 715 S HA 0.631 5.101 4.470 -0.000 0.000 0.216 715 S C 0.559 175.399 174.600 0.400 0.000 1.018 715 S CA 0.169 58.549 58.200 0.300 0.000 0.911 715 S CB 0.616 64.113 63.200 0.495 0.000 0.818 715 S HN 0.739 nan 8.310 nan 0.000 0.497 716 A N 0.497 123.583 122.820 0.443 0.000 2.605 716 A HA 0.652 4.972 4.320 -0.000 0.000 0.294 716 A C -1.759 176.161 177.584 0.561 0.000 1.062 716 A CA -0.903 51.394 52.037 0.433 0.000 0.682 716 A CB 0.395 19.687 19.000 0.486 0.000 1.278 716 A HN 0.897 nan 8.150 nan 0.000 0.410 717 W N 0.106 121.558 121.300 0.253 0.000 3.025 717 W HA 0.820 5.480 4.660 -0.000 0.000 0.343 717 W C -1.134 175.408 176.519 0.038 0.000 1.246 717 W CA -0.657 56.726 57.345 0.063 0.000 1.178 717 W CB 1.223 30.670 29.460 -0.022 0.000 1.463 717 W HN 1.089 nan 8.180 nan 0.000 0.578 718 Q N 1.664 121.485 119.800 0.035 0.000 2.545 718 Q HA 0.341 4.681 4.340 -0.000 0.000 0.273 718 Q C -1.635 174.145 176.000 -0.367 0.000 0.975 718 Q CA -0.595 55.061 55.803 -0.245 0.000 0.876 718 Q CB 2.178 30.636 28.738 -0.468 0.000 1.472 718 Q HN 0.678 nan 8.270 nan 0.000 0.389 719 Q N 2.946 122.484 119.800 -0.436 0.000 2.456 719 Q HA 0.663 5.003 4.340 -0.000 0.000 0.283 719 Q C -1.372 174.516 176.000 -0.185 0.000 1.084 719 Q CA -0.599 55.104 55.803 -0.166 0.000 0.801 719 Q CB 1.788 30.615 28.738 0.148 0.000 1.434 719 Q HN 0.670 nan 8.270 nan 0.000 0.419 720 W N 1.505 123.001 121.300 0.327 0.000 3.033 720 W HA 0.468 5.128 4.660 -0.000 0.000 0.336 720 W C -0.521 176.051 176.519 0.090 0.000 1.173 720 W CA -0.829 56.644 57.345 0.213 0.000 1.185 720 W CB 2.171 31.684 29.460 0.090 0.000 1.425 720 W HN 0.661 nan 8.180 nan 0.000 0.536 721 R N 2.365 122.814 120.500 -0.084 0.000 2.198 721 R HA 0.305 4.645 4.340 -0.000 0.000 0.339 721 R C 0.736 176.828 176.300 -0.346 0.000 1.020 721 R CA -0.163 55.483 56.100 -0.758 0.000 0.864 721 R CB 0.596 30.071 30.300 -1.375 0.000 1.105 721 R HN 0.593 nan 8.270 nan 0.000 0.463 722 L N 2.724 123.793 121.223 -0.257 0.000 2.049 722 L HA 0.197 4.537 4.340 -0.000 0.000 0.203 722 L C 0.938 177.711 176.870 -0.162 0.000 1.074 722 L CA 1.027 55.780 54.840 -0.145 0.000 0.749 722 L CB -0.199 41.817 42.059 -0.072 0.000 0.907 722 L HN 0.668 nan 8.230 nan 0.000 0.439 723 A N -0.823 121.884 122.820 -0.188 0.000 2.568 723 A HA 0.652 4.972 4.320 -0.000 0.000 0.291 723 A C -1.443 176.050 177.584 -0.153 0.000 1.159 723 A CA -0.423 51.529 52.037 -0.141 0.000 0.679 723 A CB 1.923 20.874 19.000 -0.081 0.000 1.285 723 A HN 0.054 nan 8.150 nan 0.000 0.428 724 E N 0.137 120.280 120.200 -0.096 0.000 2.304 724 E HA 0.425 4.775 4.350 -0.000 0.000 0.277 724 E C -1.813 174.769 176.600 -0.029 0.000 0.898 724 E CA -0.631 55.729 56.400 -0.067 0.000 0.764 724 E CB 1.376 31.032 29.700 -0.074 0.000 1.216 724 E HN 0.539 nan 8.360 nan 0.000 0.419 725 N N 4.423 123.120 118.700 -0.006 0.000 2.564 725 N HA 0.292 5.032 4.740 -0.000 0.000 0.248 725 N C -0.649 174.872 175.510 0.018 0.000 0.986 725 N CA -0.333 52.721 53.050 0.007 0.000 0.921 725 N CB 1.073 39.569 38.487 0.015 0.000 1.136 725 N HN 0.487 nan 8.380 nan 0.000 0.509 726 L N 0.815 122.047 121.223 0.015 0.000 2.490 726 L HA 0.067 4.407 4.340 -0.000 0.000 0.274 726 L C 1.153 178.041 176.870 0.030 0.000 1.201 726 L CA 0.290 55.145 54.840 0.025 0.000 0.869 726 L CB 0.508 42.580 42.059 0.021 0.000 1.123 726 L HN 0.353 nan 8.230 nan 0.000 0.484 727 S N 2.054 117.778 115.700 0.040 0.000 2.439 727 S HA 0.257 4.727 4.470 -0.000 0.000 0.282 727 S C 0.518 175.141 174.600 0.037 0.000 1.170 727 S CA -0.913 57.312 58.200 0.041 0.000 1.054 727 S CB 0.723 63.952 63.200 0.050 0.000 0.956 727 S HN 0.437 nan 8.310 nan 0.000 0.490 728 V N 2.791 122.724 119.914 0.031 0.000 3.177 728 V HA 0.321 4.441 4.120 -0.000 0.000 0.342 728 V C 0.776 176.887 176.094 0.029 0.000 1.379 728 V CA -0.080 62.237 62.300 0.028 0.000 1.191 728 V CB -1.149 30.688 31.823 0.023 0.000 1.167 728 V HN 0.835 nan 8.190 nan 0.000 0.471 729 T N -0.189 114.384 114.554 0.032 0.000 2.902 729 T HA 0.778 5.128 4.350 -0.000 0.000 0.280 729 T C -0.535 174.184 174.700 0.032 0.000 0.992 729 T CA -0.594 61.525 62.100 0.031 0.000 1.015 729 T CB 1.986 70.871 68.868 0.030 0.000 1.044 729 T HN 0.220 nan 8.240 nan 0.000 0.520 730 L N 1.737 122.977 121.223 0.029 0.000 2.334 730 L HA 0.568 4.908 4.340 -0.000 0.000 0.276 730 L C -2.059 174.828 176.870 0.028 0.000 1.014 730 L CA -2.115 52.742 54.840 0.029 0.000 0.815 730 L CB 0.647 42.721 42.059 0.025 0.000 1.268 730 L HN 0.579 nan 8.230 nan 0.000 0.428 731 P HA 0.270 nan 4.420 nan 0.000 0.267 731 P C -0.476 176.836 177.300 0.020 0.000 1.209 731 P CA -0.337 62.778 63.100 0.024 0.000 0.763 731 P CB 0.858 32.573 31.700 0.025 0.000 0.816 732 A N 3.306 126.136 122.820 0.017 0.000 2.406 732 A HA 0.496 4.816 4.320 -0.000 0.000 0.243 732 A C 0.710 178.302 177.584 0.012 0.000 1.082 732 A CA -0.051 51.997 52.037 0.019 0.000 0.786 732 A CB -0.258 18.754 19.000 0.020 0.000 1.029 732 A HN 0.743 nan 8.150 nan 0.000 0.495 733 A N 1.081 123.920 122.820 0.032 0.000 2.466 733 A HA 0.499 4.819 4.320 -0.000 0.000 0.238 733 A C 0.762 178.338 177.584 -0.012 0.000 1.074 733 A CA 0.457 52.518 52.037 0.041 0.000 0.774 733 A CB -0.364 18.688 19.000 0.087 0.000 1.015 733 A HN 1.545 nan 8.150 nan 0.000 0.498 734 S N 0.159 115.852 115.700 -0.013 0.000 2.593 734 S HA 0.514 4.984 4.470 -0.000 0.000 0.297 734 S C 0.064 174.688 174.600 0.040 0.000 1.112 734 S CA -0.720 57.416 58.200 -0.107 0.000 1.043 734 S CB 0.902 64.070 63.200 -0.053 0.000 1.054 734 S HN 0.649 nan 8.310 nan 0.000 0.516 735 H N 0.241 119.320 119.070 0.016 0.000 2.539 735 H HA 0.609 5.165 4.556 -0.000 0.000 0.267 735 H C 0.654 175.989 175.328 0.012 0.000 0.982 735 H CA 0.444 56.499 56.048 0.012 0.000 1.146 735 H CB -0.298 29.470 29.762 0.010 0.000 1.382 735 H HN 0.792 nan 8.280 nan 0.000 0.577 736 A N 0.584 123.465 122.820 0.101 0.000 2.557 736 A HA 0.659 4.979 4.320 -0.000 0.000 0.292 736 A C -1.133 176.479 177.584 0.048 0.000 1.139 736 A CA -0.715 51.364 52.037 0.069 0.000 0.665 736 A CB 1.340 20.380 19.000 0.067 0.000 1.285 736 A HN 0.205 nan 8.150 nan 0.000 0.433 737 I N -1.633 118.965 120.570 0.046 0.000 2.802 737 I HA 0.743 4.913 4.170 -0.000 0.000 0.298 737 I C -2.909 173.248 176.117 0.067 0.000 1.176 737 I CA -2.545 58.780 61.300 0.042 0.000 1.025 737 I CB 2.452 40.467 38.000 0.026 0.000 1.243 737 I HN 0.402 nan 8.210 nan 0.000 0.424 738 P HA -0.027 nan 4.420 nan 0.000 0.267 738 P C -1.306 176.086 177.300 0.154 0.000 1.195 738 P CA 0.477 63.636 63.100 0.098 0.000 0.773 738 P CB 0.148 31.860 31.700 0.019 0.000 0.837 739 H N 2.035 121.134 119.070 0.049 0.000 2.587 739 H HA 0.356 4.912 4.556 -0.000 0.000 0.325 739 H C -0.751 174.603 175.328 0.042 0.000 1.012 739 H CA -1.143 54.926 56.048 0.034 0.000 1.213 739 H CB 0.861 30.645 29.762 0.036 0.000 1.431 739 H HN 0.196 nan 8.280 nan 0.000 0.492 740 L N 4.443 125.626 121.223 -0.067 0.000 2.453 740 L HA 0.330 4.670 4.340 -0.000 0.000 0.261 740 L C -0.634 176.062 176.870 -0.290 0.000 1.179 740 L CA 0.394 55.138 54.840 -0.161 0.000 0.813 740 L CB 1.396 43.401 42.059 -0.091 0.000 1.110 740 L HN 0.746 nan 8.230 nan 0.000 0.466 741 T N 2.544 117.016 114.554 -0.136 0.000 3.548 741 T HA 0.267 4.617 4.350 -0.000 0.000 0.329 741 T C -0.398 174.357 174.700 0.092 0.000 0.960 741 T CA -0.555 61.503 62.100 -0.071 0.000 1.041 741 T CB 0.866 69.649 68.868 -0.141 0.000 1.065 741 T HN 0.725 nan 8.240 nan 0.000 0.459 742 T N 2.479 117.114 114.554 0.135 0.000 2.816 742 T HA 0.774 5.124 4.350 -0.000 0.000 0.282 742 T C 0.390 175.163 174.700 0.122 0.000 0.993 742 T CA -0.521 61.726 62.100 0.245 0.000 0.994 742 T CB 1.297 70.324 68.868 0.266 0.000 1.025 742 T HN 0.712 nan 8.240 nan 0.000 0.529 743 S N -1.067 114.677 115.700 0.074 0.000 2.703 743 S HA 0.300 4.770 4.470 -0.000 0.000 0.273 743 S C 0.422 174.996 174.600 -0.044 0.000 1.178 743 S CA -0.637 57.569 58.200 0.010 0.000 0.838 743 S CB 1.182 64.384 63.200 0.004 0.000 1.178 743 S HN 0.719 nan 8.310 nan 0.000 0.494 744 E N -0.199 119.974 120.200 -0.045 0.000 2.112 744 E HA 0.017 4.367 4.350 -0.000 0.000 0.190 744 E C 1.425 177.957 176.600 -0.112 0.000 0.979 744 E CA 0.940 57.301 56.400 -0.066 0.000 0.814 744 E CB -0.067 29.610 29.700 -0.038 0.000 0.762 744 E HN 0.558 nan 8.360 nan 0.000 0.460 745 M N 0.911 120.456 119.600 -0.092 0.000 2.476 745 M HA 0.101 4.581 4.480 -0.000 0.000 0.262 745 M C -0.127 176.087 176.300 -0.144 0.000 1.111 745 M CA 0.808 56.053 55.300 -0.092 0.000 1.127 745 M CB -0.588 31.991 32.600 -0.036 0.000 1.376 745 M HN 0.046 nan 8.290 nan 0.000 0.465 746 D N -1.932 118.359 120.400 -0.183 0.000 2.865 746 D HA 0.444 5.084 4.640 -0.000 0.000 0.343 746 D C -0.977 175.203 176.300 -0.200 0.000 1.372 746 D CA -0.708 53.153 54.000 -0.232 0.000 0.862 746 D CB 0.630 41.424 40.800 -0.010 0.000 1.425 746 D HN -0.031 nan 8.370 nan 0.000 0.501 750 E N 4.582 124.916 120.200 0.224 0.000 2.288 750 E HA 0.877 5.227 4.350 -0.000 0.000 0.268 750 E C -1.774 174.988 176.600 0.270 0.000 0.885 750 E CA -0.833 55.702 56.400 0.225 0.000 0.767 750 E CB 2.790 32.546 29.700 0.092 0.000 1.220 750 E HN 0.560 nan 8.360 nan 0.000 0.427 751 L N 4.142 125.516 121.223 0.251 0.000 2.811 751 L HA 0.460 4.800 4.340 -0.000 0.000 0.251 751 L C -0.107 176.835 176.870 0.121 0.000 0.971 751 L CA 0.770 55.738 54.840 0.214 0.000 0.990 751 L CB 0.959 43.204 42.059 0.311 0.000 1.320 751 L HN 0.790 nan 8.230 nan 0.000 0.473 752 G N 3.659 112.502 108.800 0.072 0.000 2.527 752 G HA2 -0.391 3.569 3.960 -0.000 0.000 0.268 752 G HA3 -0.391 3.569 3.960 -0.000 0.000 0.268 752 G C 0.591 175.486 174.900 -0.008 0.000 1.175 752 G CA 0.476 45.593 45.100 0.028 0.000 0.962 752 G HN 1.011 nan 8.290 nan 0.000 0.560 753 N N 0.969 119.650 118.700 -0.032 0.000 2.459 753 N HA 0.017 4.757 4.740 -0.000 0.000 0.181 753 N C 0.795 176.240 175.510 -0.108 0.000 1.046 753 N CA 1.429 54.441 53.050 -0.063 0.000 0.904 753 N CB -0.121 38.331 38.487 -0.058 0.000 0.964 753 N HN 0.763 nan 8.380 nan 0.000 0.444 754 K N 0.363 120.680 120.400 -0.138 0.000 2.298 754 K HA 0.326 4.646 4.320 -0.000 0.000 0.280 754 K C -0.195 176.190 176.600 -0.359 0.000 1.032 754 K CA -0.176 55.905 56.287 -0.343 0.000 0.958 754 K CB 1.141 33.369 32.500 -0.454 0.000 0.978 754 K HN 0.040 nan 8.250 nan 0.000 0.472 755 R N 1.862 122.046 120.500 -0.527 0.000 2.626 755 R HA 0.367 4.707 4.340 -0.000 0.000 0.274 755 R C -1.653 174.519 176.300 -0.214 0.000 1.031 755 R CA -0.640 55.345 56.100 -0.192 0.000 0.898 755 R CB 1.312 31.555 30.300 -0.095 0.000 1.222 755 R HN 0.595 nan 8.270 nan 0.000 0.455 756 W N 3.228 124.627 121.300 0.165 0.000 2.883 756 W HA 0.335 4.995 4.660 -0.000 0.000 0.335 756 W C -0.715 175.884 176.519 0.132 0.000 1.083 756 W CA -0.563 56.837 57.345 0.092 0.000 1.233 756 W CB 2.239 31.727 29.460 0.046 0.000 1.412 756 W HN 0.475 nan 8.180 nan 0.000 0.490 757 Q N 2.481 122.420 119.800 0.232 0.000 2.356 757 Q HA 0.521 4.861 4.340 -0.000 0.000 0.270 757 Q C -2.094 173.860 176.000 -0.077 0.000 1.058 757 Q CA -0.508 55.421 55.803 0.210 0.000 0.802 757 Q CB 1.909 30.833 28.738 0.311 0.000 1.303 757 Q HN 0.349 nan 8.270 nan 0.000 0.444 758 F N 2.763 122.802 119.950 0.148 0.000 2.402 758 F HA 0.313 4.840 4.527 -0.000 0.000 0.355 758 F C 0.524 176.340 175.800 0.027 0.000 1.123 758 F CA -0.870 57.183 58.000 0.088 0.000 1.021 758 F CB 1.441 40.506 39.000 0.109 0.000 1.160 758 F HN 0.561 nan 8.300 nan 0.000 0.451 759 N N 3.641 122.434 118.700 0.156 0.000 2.475 759 N HA 0.053 4.793 4.740 -0.000 0.000 0.267 759 N C 0.880 176.388 175.510 -0.002 0.000 1.169 759 N CA 0.076 53.164 53.050 0.064 0.000 0.947 759 N CB 0.751 39.286 38.487 0.080 0.000 1.061 759 N HN 0.713 nan 8.380 nan 0.000 0.466 760 R N 2.369 122.791 120.500 -0.129 0.000 2.276 760 R HA -0.063 4.277 4.340 -0.000 0.000 0.203 760 R C 1.124 177.348 176.300 -0.127 0.000 1.017 760 R CA 0.998 56.966 56.100 -0.220 0.000 1.010 760 R CB 0.268 30.328 30.300 -0.400 0.000 0.900 760 R HN 0.619 nan 8.270 nan 0.000 0.469 761 Q N -0.661 119.098 119.800 -0.068 0.000 2.204 761 Q HA -0.008 4.332 4.340 -0.000 0.000 0.198 761 Q C 2.081 178.060 176.000 -0.034 0.000 0.946 761 Q CA 1.520 57.294 55.803 -0.048 0.000 0.859 761 Q CB 0.348 29.076 28.738 -0.016 0.000 0.946 761 Q HN 0.249 nan 8.270 nan 0.000 0.474 762 S N -1.406 114.299 115.700 0.009 0.000 2.458 762 S HA 0.184 4.654 4.470 -0.000 0.000 0.223 762 S C 1.620 176.116 174.600 -0.173 0.000 1.019 762 S CA 0.508 58.735 58.200 0.045 0.000 0.937 762 S CB 0.130 63.482 63.200 0.253 0.000 0.788 762 S HN 0.456 nan 8.310 nan 0.000 0.511 763 G N 0.380 109.100 108.800 -0.133 0.000 2.148 763 G HA2 -0.227 3.733 3.960 -0.000 0.000 0.254 763 G HA3 -0.227 3.733 3.960 -0.000 0.000 0.254 763 G C -0.096 174.666 174.900 -0.230 0.000 0.981 763 G CA 0.372 45.368 45.100 -0.174 0.000 0.670 763 G HN 0.536 nan 8.290 nan 0.000 0.528 764 F N -1.306 118.823 119.950 0.299 0.000 2.541 764 F HA 0.683 5.210 4.527 -0.000 0.000 0.331 764 F C 0.512 176.372 175.800 0.100 0.000 1.057 764 F CA -1.443 56.706 58.000 0.248 0.000 0.975 764 F CB 1.317 40.414 39.000 0.162 0.000 1.246 764 F HN 0.007 nan 8.300 nan 0.000 0.484 765 L N 1.537 122.855 121.223 0.158 0.000 2.485 765 L HA 0.221 4.561 4.340 -0.000 0.000 0.279 765 L C 0.584 177.361 176.870 -0.156 0.000 1.124 765 L CA 0.664 55.213 54.840 -0.484 0.000 0.888 765 L CB 0.117 41.869 42.059 -0.512 0.000 1.217 765 L HN 0.631 nan 8.230 nan 0.000 0.464 766 S N 2.674 118.287 115.700 -0.145 0.000 2.425 766 S HA 0.106 4.576 4.470 -0.000 0.000 0.225 766 S C 0.457 174.962 174.600 -0.159 0.000 1.024 766 S CA 0.429 58.590 58.200 -0.065 0.000 0.951 766 S CB -0.043 63.157 63.200 0.001 0.000 0.796 766 S HN 0.737 nan 8.310 nan 0.000 0.498 767 Q N -0.247 119.406 119.800 -0.245 0.000 2.633 767 Q HA 0.650 4.990 4.340 -0.000 0.000 0.289 767 Q C -1.647 174.044 176.000 -0.516 0.000 0.940 767 Q CA -0.640 54.894 55.803 -0.447 0.000 0.785 767 Q CB 1.410 29.762 28.738 -0.643 0.000 1.467 767 Q HN 0.282 nan 8.270 nan 0.000 0.401 768 M N 0.074 119.223 119.600 -0.750 0.000 2.465 768 M HA 0.771 5.251 4.480 -0.000 0.000 0.284 768 M C -1.952 173.936 176.300 -0.686 0.000 1.212 768 M CA -0.329 54.621 55.300 -0.582 0.000 0.910 768 M CB 1.962 34.242 32.600 -0.534 0.000 1.725 768 M HN 0.508 nan 8.290 nan 0.000 0.477 769 W N 3.038 124.109 121.300 -0.382 0.000 2.864 769 W HA 0.704 5.364 4.660 -0.000 0.000 0.343 769 W C -1.535 174.780 176.519 -0.341 0.000 1.109 769 W CA -0.884 56.289 57.345 -0.287 0.000 1.192 769 W CB 2.060 31.385 29.460 -0.225 0.000 1.426 769 W HN 0.584 nan 8.180 nan 0.000 0.529 770 I N 2.417 122.991 120.570 0.006 0.000 2.448 770 I HA 0.437 4.607 4.170 -0.000 0.000 0.281 770 I C 0.726 176.837 176.117 -0.011 0.000 1.027 770 I CA 0.162 61.417 61.300 -0.075 0.000 1.111 770 I CB 1.131 39.057 38.000 -0.124 0.000 1.236 770 I HN 0.710 nan 8.210 nan 0.000 0.452 771 G N 5.582 114.369 108.800 -0.022 0.000 2.531 771 G HA2 -0.295 3.665 3.960 -0.000 0.000 0.274 771 G HA3 -0.295 3.665 3.960 -0.000 0.000 0.274 771 G C 0.291 175.211 174.900 0.032 0.000 1.159 771 G CA 0.474 45.565 45.100 -0.015 0.000 0.969 771 G HN 0.740 nan 8.290 nan 0.000 0.554 772 D N 0.947 121.379 120.400 0.053 0.000 2.363 772 D HA 0.243 4.883 4.640 -0.000 0.000 0.214 772 D C 0.611 177.044 176.300 0.222 0.000 1.093 772 D CA 0.212 54.277 54.000 0.107 0.000 0.837 772 D CB 0.246 41.067 40.800 0.036 0.000 0.948 772 D HN 0.482 nan 8.370 nan 0.000 0.507 773 K N 1.026 121.526 120.400 0.167 0.000 2.234 773 K HA 0.284 4.604 4.320 -0.000 0.000 0.277 773 K C -0.005 176.565 176.600 -0.050 0.000 1.038 773 K CA -0.469 55.856 56.287 0.064 0.000 0.888 773 K CB 1.711 34.207 32.500 -0.007 0.000 1.091 773 K HN -0.124 nan 8.250 nan 0.000 0.467 774 K N 1.910 122.190 120.400 -0.200 0.000 2.295 774 K HA 0.034 4.354 4.320 -0.000 0.000 0.270 774 K C 0.768 177.152 176.600 -0.360 0.000 1.011 774 K CA -0.184 55.759 56.287 -0.573 0.000 0.953 774 K CB 0.688 32.907 32.500 -0.468 0.000 0.956 774 K HN 0.429 nan 8.250 nan 0.000 0.477 775 Q N 1.044 120.602 119.800 -0.404 0.000 2.316 775 Q HA 0.206 4.546 4.340 -0.000 0.000 0.235 775 Q C -0.125 175.782 176.000 -0.155 0.000 0.863 775 Q CA 0.430 56.119 55.803 -0.190 0.000 0.939 775 Q CB 0.514 29.191 28.738 -0.103 0.000 1.108 775 Q HN 0.469 nan 8.270 nan 0.000 0.522 776 L N 0.353 121.433 121.223 -0.239 0.000 2.362 776 L HA 0.412 4.752 4.340 -0.000 0.000 0.271 776 L C 0.727 177.470 176.870 -0.211 0.000 1.002 776 L CA -0.463 54.263 54.840 -0.189 0.000 0.818 776 L CB 1.664 43.620 42.059 -0.172 0.000 1.298 776 L HN -0.148 nan 8.230 nan 0.000 0.420 777 L N 0.066 121.158 121.223 -0.220 0.000 2.477 777 L HA 0.248 4.588 4.340 -0.000 0.000 0.220 777 L C 0.578 177.335 176.870 -0.188 0.000 1.106 777 L CA 0.741 55.456 54.840 -0.209 0.000 0.851 777 L CB 0.274 42.186 42.059 -0.244 0.000 0.994 777 L HN 0.619 nan 8.230 nan 0.000 0.462 778 T N -0.263 114.168 114.554 -0.204 0.000 2.916 778 T HA 0.419 4.769 4.350 -0.000 0.000 0.305 778 T C -2.686 171.959 174.700 -0.092 0.000 1.119 778 T CA -1.277 60.745 62.100 -0.131 0.000 1.008 778 T CB 2.323 71.090 68.868 -0.168 0.000 1.129 778 T HN -0.280 nan 8.240 nan 0.000 0.480 779 P HA 0.268 nan 4.420 nan 0.000 0.272 779 P C -0.764 176.508 177.300 -0.047 0.000 1.223 779 P CA -0.735 62.346 63.100 -0.033 0.000 0.784 779 P CB 0.415 32.121 31.700 0.010 0.000 0.923 780 L N 3.916 125.148 121.223 0.014 0.000 2.369 780 L HA 0.251 4.591 4.340 -0.000 0.000 0.279 780 L C 0.543 177.359 176.870 -0.089 0.000 1.108 780 L CA 0.459 55.331 54.840 0.054 0.000 0.852 780 L CB -0.782 41.418 42.059 0.235 0.000 1.169 780 L HN 0.463 nan 8.230 nan 0.000 0.452 781 R N 1.958 122.352 120.500 -0.176 0.000 2.799 781 R HA 0.617 4.957 4.340 -0.000 0.000 0.270 781 R C -1.085 175.094 176.300 -0.202 0.000 1.010 781 R CA -1.107 54.787 56.100 -0.343 0.000 0.916 781 R CB 0.632 30.370 30.300 -0.937 0.000 1.228 781 R HN 0.373 nan 8.270 nan 0.000 0.469 782 D N 0.896 121.206 120.400 -0.151 0.000 2.423 782 D HA 0.045 4.685 4.640 -0.000 0.000 0.238 782 D C -0.637 175.279 176.300 -0.639 0.000 1.142 782 D CA 0.554 54.334 54.000 -0.365 0.000 0.884 782 D CB 0.703 41.295 40.800 -0.347 0.000 1.199 782 D HN 0.351 nan 8.370 nan 0.000 0.438 783 Q N 1.636 120.847 119.800 -0.981 0.000 2.289 783 Q HA 0.310 4.650 4.340 -0.000 0.000 0.270 783 Q C -1.210 174.056 176.000 -1.222 0.000 1.038 783 Q CA -0.592 54.689 55.803 -0.870 0.000 0.812 783 Q CB 0.850 29.308 28.738 -0.466 0.000 1.300 783 Q HN 0.562 nan 8.270 nan 0.000 0.427 784 F N 0.570 120.191 119.950 -0.548 0.000 2.706 784 F HA 0.177 4.704 4.527 -0.000 0.000 0.313 784 F C 0.883 176.303 175.800 -0.633 0.000 1.096 784 F CA -0.078 57.505 58.000 -0.695 0.000 1.219 784 F CB 1.509 39.894 39.000 -1.025 0.000 1.051 784 F HN 0.489 nan 8.300 nan 0.000 0.568 785 T N -0.793 113.506 114.554 -0.424 0.000 2.883 785 T HA 0.754 5.104 4.350 -0.000 0.000 0.284 785 T C -0.488 173.974 174.700 -0.397 0.000 1.041 785 T CA -0.926 60.837 62.100 -0.562 0.000 1.007 785 T CB 2.584 71.071 68.868 -0.635 0.000 1.220 785 T HN 0.226 nan 8.240 nan 0.000 0.552 786 R N -0.540 119.753 120.500 -0.345 0.000 2.774 786 R HA 0.738 5.078 4.340 -0.000 0.000 0.272 786 R C -1.164 175.181 176.300 0.075 0.000 1.000 786 R CA -1.184 54.844 56.100 -0.121 0.000 0.906 786 R CB 1.490 31.726 30.300 -0.106 0.000 1.227 786 R HN 0.823 nan 8.270 nan 0.000 0.468 787 A N 3.386 126.238 122.820 0.054 0.000 2.444 787 A HA 0.325 4.645 4.320 -0.000 0.000 0.287 787 A C -2.029 175.613 177.584 0.097 0.000 1.195 787 A CA -1.556 50.516 52.037 0.059 0.000 0.858 787 A CB -0.467 18.519 19.000 -0.023 0.000 1.117 787 A HN 0.538 nan 8.150 nan 0.000 0.521 788 P HA -0.051 nan 4.420 nan 0.000 0.261 788 P C -0.209 177.193 177.300 0.170 0.000 1.158 788 P CA 0.766 64.017 63.100 0.251 0.000 0.758 788 P CB 0.224 32.097 31.700 0.289 0.000 0.763 789 L N 2.468 123.766 121.223 0.124 0.000 2.454 789 L HA 0.210 4.550 4.340 -0.000 0.000 0.256 789 L C 1.855 178.740 176.870 0.024 0.000 1.136 789 L CA -0.585 54.266 54.840 0.019 0.000 0.804 789 L CB 0.071 42.075 42.059 -0.091 0.000 1.181 789 L HN 0.288 nan 8.230 nan 0.000 0.469 790 D N 0.437 120.793 120.400 -0.075 0.000 2.116 790 D HA -0.171 4.469 4.640 -0.000 0.000 0.193 790 D C 1.631 177.866 176.300 -0.108 0.000 0.998 790 D CA 1.500 55.390 54.000 -0.183 0.000 0.836 790 D CB 0.045 40.648 40.800 -0.327 0.000 0.951 790 D HN 0.489 nan 8.370 nan 0.000 0.449 791 N N 1.135 119.785 118.700 -0.083 0.000 2.205 791 N HA -0.126 4.614 4.740 -0.000 0.000 0.186 791 N C 1.193 176.724 175.510 0.036 0.000 1.015 791 N CA 0.783 53.815 53.050 -0.029 0.000 0.862 791 N CB -0.297 38.159 38.487 -0.052 0.000 0.986 791 N HN 0.252 nan 8.380 nan 0.000 0.429 792 D N 0.174 120.610 120.400 0.060 0.000 2.264 792 D HA 0.013 4.653 4.640 -0.000 0.000 0.208 792 D C 1.893 178.261 176.300 0.114 0.000 0.966 792 D CA 0.431 54.509 54.000 0.131 0.000 0.864 792 D CB 0.151 41.106 40.800 0.258 0.000 0.933 792 D HN 0.353 nan 8.370 nan 0.000 0.499 793 I N -0.416 120.201 120.570 0.077 0.000 2.729 793 I HA 0.110 4.280 4.170 -0.000 0.000 0.256 793 I C 1.893 178.044 176.117 0.058 0.000 1.115 793 I CA 0.605 61.940 61.300 0.059 0.000 1.446 793 I CB -0.148 37.865 38.000 0.021 0.000 1.176 793 I HN 0.072 nan 8.210 nan 0.000 0.446 794 G N 1.421 110.267 108.800 0.077 0.000 2.565 794 G HA2 -0.352 3.608 3.960 -0.000 0.000 0.295 794 G HA3 -0.352 3.608 3.960 -0.000 0.000 0.295 794 G C 0.689 175.756 174.900 0.279 0.000 1.165 794 G CA 0.933 46.142 45.100 0.181 0.000 0.977 794 G HN 0.655 nan 8.290 nan 0.000 0.546 795 V N -2.213 117.805 119.914 0.173 0.000 3.214 795 V HA 0.704 4.824 4.120 -0.000 0.000 0.330 795 V C 0.951 177.067 176.094 0.037 0.000 1.403 795 V CA 1.025 63.385 62.300 0.099 0.000 1.143 795 V CB 0.331 32.116 31.823 -0.063 0.000 1.098 795 V HN 1.254 nan 8.190 nan 0.000 0.463 796 S N 1.321 117.046 115.700 0.042 0.000 2.533 796 S HA 0.361 4.831 4.470 -0.000 0.000 0.282 796 S C -0.149 174.467 174.600 0.026 0.000 1.304 796 S CA 0.191 58.403 58.200 0.018 0.000 1.063 796 S CB 0.466 63.675 63.200 0.014 0.000 0.881 796 S HN 0.815 nan 8.310 nan 0.000 0.493 797 E N 1.857 122.065 120.200 0.014 0.000 2.343 797 E HA 0.618 4.968 4.350 -0.000 0.000 0.270 797 E C 0.638 177.251 176.600 0.021 0.000 0.895 797 E CA -0.387 56.026 56.400 0.022 0.000 0.767 797 E CB 1.517 31.224 29.700 0.012 0.000 1.248 797 E HN 0.626 nan 8.360 nan 0.000 0.440 798 A N 1.463 124.303 122.820 0.032 0.000 1.903 798 A HA -0.261 4.059 4.320 -0.000 0.000 0.219 798 A C 2.115 179.712 177.584 0.022 0.000 1.191 798 A CA 2.790 54.846 52.037 0.031 0.000 0.638 798 A CB -1.233 17.791 19.000 0.041 0.000 0.823 798 A HN 0.751 nan 8.150 nan 0.000 0.451 799 T N -2.328 112.238 114.554 0.019 0.000 2.701 799 T HA -0.090 4.260 4.350 -0.000 0.000 0.263 799 T C 1.187 175.887 174.700 0.001 0.000 1.040 799 T CA 1.294 63.400 62.100 0.011 0.000 1.147 799 T CB -0.124 68.749 68.868 0.009 0.000 0.865 799 T HN 0.346 nan 8.240 nan 0.000 0.426 800 R N 0.550 121.046 120.500 -0.005 0.000 2.402 800 R HA 0.504 4.844 4.340 -0.000 0.000 0.290 800 R C -1.118 175.172 176.300 -0.016 0.000 1.321 800 R CA -0.557 55.533 56.100 -0.017 0.000 1.283 800 R CB 0.205 30.486 30.300 -0.031 0.000 1.111 800 R HN 0.414 nan 8.270 nan 0.000 0.578 801 I N 1.853 122.417 120.570 -0.011 0.000 2.634 801 I HA -0.056 4.114 4.170 -0.000 0.000 0.284 801 I C 0.239 176.341 176.117 -0.025 0.000 1.124 801 I CA 0.527 61.820 61.300 -0.011 0.000 1.417 801 I CB 0.806 38.803 38.000 -0.006 0.000 1.396 801 I HN 0.398 nan 8.210 nan 0.000 0.571 802 D N 8.673 129.056 120.400 -0.029 0.000 2.477 802 D HA 0.279 4.919 4.640 -0.000 0.000 0.239 802 D C -1.693 174.566 176.300 -0.069 0.000 1.102 802 D CA -2.370 51.602 54.000 -0.045 0.000 0.901 802 D CB 1.146 41.922 40.800 -0.039 0.000 1.026 802 D HN 0.133 nan 8.370 nan 0.000 0.515 803 P HA -0.170 nan 4.420 nan 0.000 0.219 803 P C 0.430 177.637 177.300 -0.154 0.000 1.144 803 P CA 1.041 64.084 63.100 -0.096 0.000 0.806 803 P CB 0.286 31.937 31.700 -0.081 0.000 0.771 804 N N -0.551 118.050 118.700 -0.166 0.000 2.373 804 N HA 0.099 4.839 4.740 -0.000 0.000 0.181 804 N C 0.844 176.147 175.510 -0.345 0.000 1.082 804 N CA 0.092 52.988 53.050 -0.257 0.000 0.885 804 N CB -0.066 38.285 38.487 -0.227 0.000 0.977 804 N HN 0.097 nan 8.380 nan 0.000 0.462 805 A N 0.669 123.349 122.820 -0.234 0.000 2.540 805 A HA 0.019 4.339 4.320 -0.000 0.000 0.239 805 A C 0.763 178.142 177.584 -0.342 0.000 1.061 805 A CA -0.339 51.566 52.037 -0.220 0.000 0.758 805 A CB -0.011 18.940 19.000 -0.082 0.000 0.991 805 A HN 0.334 nan 8.150 nan 0.000 0.502 806 W N 1.921 122.958 121.300 -0.439 0.000 2.302 806 W HA -0.224 4.436 4.660 -0.000 0.000 0.320 806 W C 2.271 178.246 176.519 -0.907 0.000 1.241 806 W CA 1.939 58.737 57.345 -0.911 0.000 1.264 806 W CB -0.482 28.289 29.460 -1.150 0.000 1.154 806 W HN 0.564 nan 8.180 nan 0.000 0.483 807 V N 0.775 120.609 119.914 -0.134 0.000 2.324 807 V HA -0.315 3.805 4.120 -0.000 0.000 0.250 807 V C 2.287 178.487 176.094 0.177 0.000 1.060 807 V CA 2.282 64.731 62.300 0.248 0.000 1.042 807 V CB -0.475 31.512 31.823 0.273 0.000 0.650 807 V HN 0.093 nan 8.190 nan 0.000 0.450 808 E N 0.166 120.370 120.200 0.008 0.000 2.051 808 E HA -0.193 4.157 4.350 -0.000 0.000 0.192 808 E C 2.352 178.932 176.600 -0.034 0.000 0.991 808 E CA 1.508 57.903 56.400 -0.009 0.000 0.799 808 E CB -0.394 29.270 29.700 -0.059 0.000 0.748 808 E HN 0.661 nan 8.360 nan 0.000 0.449 809 R N -0.394 120.007 120.500 -0.164 0.000 2.075 809 R HA -0.112 4.228 4.340 -0.000 0.000 0.232 809 R C 2.315 178.570 176.300 -0.074 0.000 1.126 809 R CA 1.066 57.051 56.100 -0.192 0.000 0.963 809 R CB -0.432 29.637 30.300 -0.385 0.000 0.858 809 R HN 0.254 nan 8.270 nan 0.000 0.435 810 W N 2.122 123.380 121.300 -0.070 0.000 2.358 810 W HA -0.056 4.604 4.660 -0.000 0.000 0.303 810 W C 2.072 178.546 176.519 -0.074 0.000 1.208 810 W CA 0.476 57.682 57.345 -0.232 0.000 1.274 810 W CB -0.591 28.869 29.460 -0.001 0.000 1.138 810 W HN 0.119 nan 8.180 nan 0.000 0.515 811 K N -0.095 120.532 120.400 0.378 0.000 1.985 811 K HA -0.125 4.195 4.320 -0.000 0.000 0.210 811 K C 2.202 178.883 176.600 0.134 0.000 1.047 811 K CA 1.750 58.224 56.287 0.312 0.000 0.932 811 K CB -0.690 31.940 32.500 0.218 0.000 0.716 811 K HN -0.015 nan 8.250 nan 0.000 0.439 812 A N 1.281 124.146 122.820 0.076 0.000 1.978 812 A HA -0.146 4.174 4.320 -0.000 0.000 0.220 812 A C 2.214 179.803 177.584 0.008 0.000 1.170 812 A CA 1.950 54.010 52.037 0.038 0.000 0.636 812 A CB -0.528 18.479 19.000 0.010 0.000 0.810 812 A HN 0.395 nan 8.150 nan 0.000 0.448 813 A N -2.065 120.738 122.820 -0.029 0.000 2.119 813 A HA 0.379 4.699 4.320 -0.000 0.000 0.216 813 A C 1.931 179.426 177.584 -0.149 0.000 1.152 813 A CA 1.340 53.356 52.037 -0.035 0.000 0.708 813 A CB -0.812 18.145 19.000 -0.072 0.000 0.805 813 A HN 1.912 nan 8.150 nan 0.000 0.460 814 G N -1.858 106.804 108.800 -0.229 0.000 2.141 814 G HA2 -0.299 3.661 3.960 -0.000 0.000 0.242 814 G HA3 -0.299 3.661 3.960 -0.000 0.000 0.242 814 G C 0.624 175.483 174.900 -0.067 0.000 0.982 814 G CA 0.671 45.436 45.100 -0.558 0.000 0.662 814 G HN 0.722 nan 8.290 nan 0.000 0.527 815 H N -1.239 117.781 119.070 -0.082 0.000 2.353 815 H HA -0.133 4.423 4.556 -0.000 0.000 0.298 815 H C 2.192 177.478 175.328 -0.070 0.000 1.103 815 H CA 1.673 57.679 56.048 -0.069 0.000 1.293 815 H CB 0.033 29.692 29.762 -0.171 0.000 1.372 815 H HN 0.597 nan 8.280 nan 0.000 0.501 816 Y N 0.798 121.214 120.300 0.193 0.000 2.571 816 Y HA -0.124 4.426 4.550 -0.000 0.000 0.294 816 Y C 1.644 177.623 175.900 0.131 0.000 1.141 816 Y CA 0.802 58.979 58.100 0.129 0.000 1.308 816 Y CB 0.323 38.846 38.460 0.105 0.000 1.002 816 Y HN 0.402 nan 8.280 nan 0.000 0.551 817 Q N -0.978 118.979 119.800 0.260 0.000 2.063 817 Q HA 0.474 4.814 4.340 -0.000 0.000 0.245 817 Q C -0.269 175.906 176.000 0.291 0.000 0.828 817 Q CA -0.362 55.595 55.803 0.257 0.000 1.089 817 Q CB 0.309 29.191 28.738 0.240 0.000 1.232 817 Q HN 0.110 nan 8.270 nan 0.000 0.445 818 A N 1.103 124.103 122.820 0.301 0.000 2.351 818 A HA 0.385 4.705 4.320 -0.000 0.000 0.257 818 A C -0.097 177.735 177.584 0.414 0.000 1.087 818 A CA -0.178 52.076 52.037 0.362 0.000 0.798 818 A CB 0.522 19.723 19.000 0.336 0.000 1.033 818 A HN 0.308 nan 8.150 nan 0.000 0.488 819 E N 0.612 120.996 120.200 0.305 0.000 2.133 819 E HA 0.481 4.831 4.350 -0.000 0.000 0.274 819 E C -0.070 176.513 176.600 -0.029 0.000 0.930 819 E CA -0.216 56.289 56.400 0.175 0.000 0.770 819 E CB 1.713 31.482 29.700 0.115 0.000 1.104 819 E HN 0.730 nan 8.360 nan 0.000 0.403 820 A N 2.363 125.045 122.820 -0.231 0.000 2.407 820 A HA 0.601 4.921 4.320 -0.000 0.000 0.248 820 A C -0.231 177.180 177.584 -0.287 0.000 1.082 820 A CA -0.063 51.532 52.037 -0.736 0.000 0.785 820 A CB 0.530 19.101 19.000 -0.716 0.000 1.020 820 A HN 0.553 nan 8.150 nan 0.000 0.489 821 A N 2.071 124.717 122.820 -0.290 0.000 2.375 821 A HA 0.553 4.873 4.320 -0.000 0.000 0.295 821 A C -0.697 176.782 177.584 -0.175 0.000 1.066 821 A CA -0.566 51.385 52.037 -0.144 0.000 0.722 821 A CB 0.725 19.666 19.000 -0.097 0.000 1.206 821 A HN 1.069 nan 8.150 nan 0.000 0.435 822 L N 3.341 124.441 121.223 -0.206 0.000 2.462 822 L HA 0.206 4.546 4.340 -0.000 0.000 0.272 822 L C 0.625 177.348 176.870 -0.246 0.000 1.166 822 L CA 0.070 54.679 54.840 -0.385 0.000 0.880 822 L CB 0.140 42.001 42.059 -0.330 0.000 1.142 822 L HN 0.835 nan 8.230 nan 0.000 0.473 823 L N 3.641 124.711 121.223 -0.255 0.000 2.425 823 L HA 0.199 4.539 4.340 -0.000 0.000 0.215 823 L C 0.447 177.249 176.870 -0.113 0.000 1.065 823 L CA 0.190 54.954 54.840 -0.127 0.000 0.842 823 L CB 0.204 42.224 42.059 -0.066 0.000 1.033 823 L HN 0.793 nan 8.230 nan 0.000 0.474 824 Q N -0.581 119.122 119.800 -0.161 0.000 2.617 824 Q HA 0.288 4.628 4.340 -0.000 0.000 0.270 824 Q C -1.846 174.095 176.000 -0.098 0.000 0.967 824 Q CA -0.756 54.989 55.803 -0.096 0.000 0.887 824 Q CB 2.283 30.996 28.738 -0.041 0.000 1.516 824 Q HN 0.019 nan 8.270 nan 0.000 0.395 825 C N 2.782 122.063 119.300 -0.033 0.000 2.705 825 C HA 0.886 5.346 4.460 -0.000 0.000 0.369 825 C C -1.061 173.998 174.990 0.115 0.000 1.069 825 C CA 0.768 59.804 59.018 0.029 0.000 1.260 825 C CB 0.815 28.564 27.740 0.015 0.000 1.764 825 C HN 0.923 nan 8.230 nan 0.000 0.469 826 T N 2.824 117.415 114.554 0.063 0.000 2.896 826 T HA 0.894 5.244 4.350 -0.000 0.000 0.297 826 T C -0.536 174.034 174.700 -0.217 0.000 1.108 826 T CA -0.018 62.079 62.100 -0.005 0.000 1.004 826 T CB 1.831 70.684 68.868 -0.026 0.000 1.159 826 T HN 2.019 nan 8.240 nan 0.000 0.499 827 A N 1.605 124.167 122.820 -0.431 0.000 2.401 827 A HA 0.839 5.159 4.320 -0.000 0.000 0.310 827 A C -1.208 176.162 177.584 -0.357 0.000 1.075 827 A CA -0.639 51.035 52.037 -0.605 0.000 0.746 827 A CB 1.437 19.674 19.000 -1.273 0.000 1.277 827 A HN 0.893 nan 8.150 nan 0.000 0.425 828 D N 0.198 120.433 120.400 -0.276 0.000 2.736 828 D HA 0.428 5.068 4.640 -0.000 0.000 0.223 828 D C -1.310 174.908 176.300 -0.136 0.000 1.231 828 D CA -0.012 53.887 54.000 -0.169 0.000 0.818 828 D CB 2.412 43.142 40.800 -0.117 0.000 1.587 828 D HN 0.411 nan 8.370 nan 0.000 0.463 829 T N 1.847 116.345 114.554 -0.093 0.000 2.758 829 T HA 0.487 4.837 4.350 -0.000 0.000 0.285 829 T C 0.109 174.783 174.700 -0.044 0.000 0.981 829 T CA -0.512 61.550 62.100 -0.063 0.000 0.965 829 T CB 0.895 69.741 68.868 -0.037 0.000 0.927 829 T HN 0.062 nan 8.240 nan 0.000 0.448 830 L N 1.700 122.899 121.223 -0.041 0.000 2.376 830 L HA 0.668 5.008 4.340 -0.000 0.000 0.267 830 L C 1.752 178.611 176.870 -0.017 0.000 1.035 830 L CA -0.483 54.341 54.840 -0.028 0.000 0.800 830 L CB 0.130 42.172 42.059 -0.029 0.000 1.290 830 L HN 0.694 nan 8.230 nan 0.000 0.462 831 A N -0.277 122.536 122.820 -0.011 0.000 2.019 831 A HA -0.129 4.191 4.320 -0.000 0.000 0.219 831 A C 0.864 178.448 177.584 -0.001 0.000 1.164 831 A CA 1.946 53.980 52.037 -0.004 0.000 0.644 831 A CB -0.692 18.307 19.000 -0.001 0.000 0.805 831 A HN 0.857 nan 8.150 nan 0.000 0.449 832 D N -2.573 117.824 120.400 -0.004 0.000 2.500 832 D HA 0.560 5.200 4.640 -0.000 0.000 0.217 832 D C 0.262 176.556 176.300 -0.010 0.000 1.159 832 D CA 0.659 54.659 54.000 -0.001 0.000 0.828 832 D CB 0.461 41.263 40.800 0.003 0.000 1.039 832 D HN 0.493 nan 8.370 nan 0.000 0.512 833 A N -0.430 122.377 122.820 -0.022 0.000 2.467 833 A HA 0.636 4.956 4.320 -0.000 0.000 0.301 833 A C -1.774 175.776 177.584 -0.057 0.000 1.126 833 A CA -0.765 51.247 52.037 -0.041 0.000 0.632 833 A CB 0.739 19.712 19.000 -0.046 0.000 1.331 833 A HN -0.013 nan 8.150 nan 0.000 0.482 834 V N 0.275 120.136 119.914 -0.089 0.000 2.581 834 V HA 0.695 4.815 4.120 -0.000 0.000 0.303 834 V C -0.922 175.092 176.094 -0.134 0.000 1.041 834 V CA -0.481 61.748 62.300 -0.117 0.000 0.907 834 V CB 1.369 33.110 31.823 -0.137 0.000 0.994 834 V HN 0.829 nan 8.190 nan 0.000 0.442 835 L N 5.702 126.837 121.223 -0.146 0.000 2.356 835 L HA 0.681 5.021 4.340 -0.000 0.000 0.277 835 L C -0.969 175.786 176.870 -0.191 0.000 0.996 835 L CA -0.085 54.676 54.840 -0.131 0.000 0.822 835 L CB 1.476 43.481 42.059 -0.090 0.000 1.256 835 L HN 0.407 nan 8.230 nan 0.000 0.413 836 I N 3.455 123.921 120.570 -0.174 0.000 2.474 836 I HA 0.594 4.764 4.170 -0.000 0.000 0.294 836 I C 0.145 176.250 176.117 -0.021 0.000 1.005 836 I CA -0.417 60.746 61.300 -0.229 0.000 1.113 836 I CB 1.784 39.457 38.000 -0.546 0.000 1.289 836 I HN 0.705 nan 8.210 nan 0.000 0.436 837 T N 1.934 116.474 114.554 -0.023 0.000 2.886 837 T HA 0.851 5.201 4.350 -0.000 0.000 0.292 837 T C -0.364 174.389 174.700 0.089 0.000 1.012 837 T CA -0.462 61.676 62.100 0.064 0.000 0.982 837 T CB 2.044 70.929 68.868 0.028 0.000 1.018 837 T HN 0.779 nan 8.240 nan 0.000 0.451 838 T N -0.455 114.193 114.554 0.157 0.000 2.887 838 T HA 0.884 5.234 4.350 -0.000 0.000 0.292 838 T C -0.753 174.030 174.700 0.138 0.000 1.087 838 T CA -0.823 61.358 62.100 0.135 0.000 1.009 838 T CB 1.647 70.696 68.868 0.302 0.000 1.203 838 T HN 1.620 nan 8.240 nan 0.000 0.518 839 A N 1.318 124.153 122.820 0.024 0.000 2.480 839 A HA 0.711 5.031 4.320 -0.000 0.000 0.289 839 A C -1.485 176.058 177.584 -0.068 0.000 1.044 839 A CA -0.769 51.324 52.037 0.093 0.000 0.761 839 A CB 0.668 19.697 19.000 0.049 0.000 1.289 839 A HN 0.977 nan 8.150 nan 0.000 0.401 840 H N 0.259 119.389 119.070 0.100 0.000 2.834 840 H HA 0.877 5.433 4.556 -0.000 0.000 0.369 840 H C -0.001 175.345 175.328 0.029 0.000 1.174 840 H CA 0.108 56.124 56.048 -0.053 0.000 1.165 840 H CB 2.104 31.708 29.762 -0.263 0.000 1.820 840 H HN 1.058 nan 8.280 nan 0.000 0.558 841 A N 1.031 123.843 122.820 -0.013 0.000 2.398 841 A HA 0.416 4.736 4.320 -0.000 0.000 0.301 841 A C -1.499 176.095 177.584 0.016 0.000 1.041 841 A CA -0.730 51.388 52.037 0.135 0.000 0.711 841 A CB 1.177 20.233 19.000 0.093 0.000 1.240 841 A HN 0.549 nan 8.150 nan 0.000 0.420 842 W N 2.094 123.477 121.300 0.138 0.000 2.361 842 W HA 0.450 5.110 4.660 -0.000 0.000 0.309 842 W C -0.218 176.273 176.519 -0.047 0.000 1.122 842 W CA -0.174 57.224 57.345 0.089 0.000 1.208 842 W CB 1.585 31.122 29.460 0.129 0.000 1.246 842 W HN 0.768 nan 8.180 nan 0.000 0.490 843 Q N 1.382 121.286 119.800 0.172 0.000 2.496 843 Q HA 0.466 4.806 4.340 -0.000 0.000 0.286 843 Q C -0.925 175.189 176.000 0.190 0.000 1.103 843 Q CA -0.943 54.927 55.803 0.112 0.000 0.813 843 Q CB 3.515 32.290 28.738 0.062 0.000 1.444 843 Q HN 0.389 nan 8.270 nan 0.000 0.443 844 H N 1.037 120.123 119.070 0.027 0.000 3.179 844 H HA 0.066 4.622 4.556 -0.000 0.000 0.331 844 H C -1.072 174.278 175.328 0.037 0.000 1.013 844 H CA -0.066 56.011 56.048 0.048 0.000 1.430 844 H CB 1.033 30.832 29.762 0.062 0.000 1.895 844 H HN 0.863 nan 8.280 nan 0.000 0.468 845 Q N 3.300 122.872 119.800 -0.380 0.000 2.451 845 Q HA -0.245 4.095 4.340 -0.000 0.000 0.305 845 Q C 0.974 176.927 176.000 -0.077 0.000 1.345 845 Q CA 1.172 56.822 55.803 -0.254 0.000 0.854 845 Q CB -1.444 27.111 28.738 -0.305 0.000 1.162 845 Q HN 1.173 nan 8.270 nan 0.000 0.440 846 G N -0.290 108.485 108.800 -0.042 0.000 2.234 846 G HA2 -0.389 3.571 3.960 -0.000 0.000 0.260 846 G HA3 -0.389 3.571 3.960 -0.000 0.000 0.260 846 G C 0.101 175.008 174.900 0.012 0.000 0.987 846 G CA 0.704 45.799 45.100 -0.009 0.000 0.625 846 G HN 0.410 nan 8.290 nan 0.000 0.532 847 K N 1.097 121.515 120.400 0.029 0.000 2.130 847 K HA 0.627 4.947 4.320 -0.000 0.000 0.268 847 K C -0.233 176.379 176.600 0.021 0.000 0.983 847 K CA -0.109 56.197 56.287 0.032 0.000 0.893 847 K CB 0.906 33.434 32.500 0.047 0.000 1.066 847 K HN 0.009 nan 8.250 nan 0.000 0.450 848 T N 5.515 120.071 114.554 0.003 0.000 2.733 848 T HA 0.236 4.586 4.350 -0.000 0.000 0.294 848 T C 1.107 175.745 174.700 -0.104 0.000 0.956 848 T CA -0.592 61.499 62.100 -0.014 0.000 0.987 848 T CB 0.528 69.411 68.868 0.024 0.000 0.920 848 T HN 0.521 nan 8.240 nan 0.000 0.470 849 L N 2.042 123.087 121.223 -0.297 0.000 2.084 849 L HA 0.334 4.674 4.340 -0.000 0.000 0.202 849 L C 0.087 176.509 176.870 -0.747 0.000 1.074 849 L CA 0.989 55.388 54.840 -0.734 0.000 0.757 849 L CB -0.110 41.026 42.059 -1.537 0.000 0.918 849 L HN 0.516 nan 8.230 nan 0.000 0.444 850 F N -1.037 118.869 119.950 -0.074 0.000 2.629 850 F HA 0.616 5.143 4.527 -0.000 0.000 0.316 850 F C -0.381 175.534 175.800 0.193 0.000 1.081 850 F CA -0.922 57.007 58.000 -0.119 0.000 0.954 850 F CB 2.162 40.751 39.000 -0.685 0.000 1.337 850 F HN -0.310 nan 8.300 nan 0.000 0.474 851 I N 1.392 122.217 120.570 0.425 0.000 2.499 851 I HA 0.317 4.487 4.170 -0.000 0.000 0.288 851 I C -1.011 175.384 176.117 0.464 0.000 1.048 851 I CA -0.503 61.061 61.300 0.441 0.000 1.062 851 I CB 2.209 40.377 38.000 0.280 0.000 1.238 851 I HN 0.545 nan 8.210 nan 0.000 0.426 852 S N 6.968 123.040 115.700 0.621 0.000 2.552 852 S HA 0.577 5.046 4.470 -0.000 0.000 0.314 852 S C -0.729 174.127 174.600 0.427 0.000 1.099 852 S CA -0.659 57.870 58.200 0.547 0.000 1.070 852 S CB 0.756 64.392 63.200 0.727 0.000 0.998 852 S HN 0.576 nan 8.310 nan 0.000 0.474 853 R N 3.615 124.287 120.500 0.286 0.000 2.393 853 R HA 0.536 4.876 4.340 -0.000 0.000 0.315 853 R C -0.700 175.678 176.300 0.131 0.000 0.952 853 R CA -0.737 55.489 56.100 0.210 0.000 0.842 853 R CB 1.843 32.240 30.300 0.162 0.000 1.163 853 R HN 0.564 nan 8.270 nan 0.000 0.450 854 K N 0.635 121.106 120.400 0.118 0.000 2.395 854 K HA 0.540 4.860 4.320 -0.000 0.000 0.245 854 K C -0.651 175.930 176.600 -0.033 0.000 1.017 854 K CA -0.960 55.309 56.287 -0.030 0.000 0.852 854 K CB 2.356 34.767 32.500 -0.149 0.000 1.311 854 K HN 0.591 nan 8.250 nan 0.000 0.452 855 T N -1.366 113.088 114.554 -0.167 0.000 2.952 855 T HA 0.526 4.876 4.350 -0.000 0.000 0.305 855 T C -1.486 173.118 174.700 -0.160 0.000 1.064 855 T CA -0.778 61.280 62.100 -0.070 0.000 1.008 855 T CB 0.398 69.255 68.868 -0.019 0.000 1.078 855 T HN 0.407 nan 8.240 nan 0.000 0.459 856 Y N 1.472 121.756 120.300 -0.026 0.000 2.350 856 Y HA 0.706 5.256 4.550 -0.000 0.000 0.338 856 Y C 0.433 176.283 175.900 -0.084 0.000 0.961 856 Y CA -1.140 56.953 58.100 -0.012 0.000 1.100 856 Y CB 1.931 40.419 38.460 0.046 0.000 1.179 856 Y HN 0.854 nan 8.280 nan 0.000 0.454 857 R N 4.538 125.085 120.500 0.079 0.000 2.483 857 R HA 0.641 4.981 4.340 -0.000 0.000 0.303 857 R C -2.030 174.233 176.300 -0.062 0.000 0.987 857 R CA -0.349 55.743 56.100 -0.013 0.000 0.881 857 R CB 0.739 31.033 30.300 -0.009 0.000 1.177 857 R HN 0.813 nan 8.270 nan 0.000 0.451 858 I N 5.085 125.564 120.570 -0.152 0.000 2.339 858 I HA 0.237 4.407 4.170 -0.000 0.000 0.290 858 I C -0.279 175.738 176.117 -0.166 0.000 0.994 858 I CA -0.895 60.253 61.300 -0.254 0.000 1.191 858 I CB 1.490 39.175 38.000 -0.524 0.000 1.343 858 I HN 0.740 nan 8.210 nan 0.000 0.458 859 D N 4.369 124.705 120.400 -0.107 0.000 2.549 859 D HA 0.239 4.879 4.640 -0.000 0.000 0.270 859 D C 1.216 177.499 176.300 -0.029 0.000 1.181 859 D CA -0.702 53.266 54.000 -0.052 0.000 1.070 859 D CB 0.779 41.567 40.800 -0.021 0.000 1.154 859 D HN 0.496 nan 8.370 nan 0.000 0.602 860 G N -1.447 107.349 108.800 -0.007 0.000 2.679 860 G HA2 -0.121 3.839 3.960 -0.000 0.000 0.212 860 G HA3 -0.121 3.839 3.960 -0.000 0.000 0.212 860 G C 1.125 176.030 174.900 0.008 0.000 1.137 860 G CA 0.877 45.982 45.100 0.009 0.000 0.787 860 G HN 0.524 nan 8.290 nan 0.000 0.534 861 S N -1.005 114.700 115.700 0.007 0.000 2.558 861 S HA 0.367 4.837 4.470 -0.000 0.000 0.217 861 S C 1.765 176.396 174.600 0.052 0.000 0.975 861 S CA 0.925 59.132 58.200 0.011 0.000 0.912 861 S CB 0.046 63.251 63.200 0.009 0.000 0.776 861 S HN 1.395 nan 8.310 nan 0.000 0.526 862 G N 0.817 109.664 108.800 0.078 0.000 2.132 862 G HA2 -0.209 3.751 3.960 -0.000 0.000 0.234 862 G HA3 -0.209 3.751 3.960 -0.000 0.000 0.234 862 G C -0.307 174.694 174.900 0.169 0.000 0.989 862 G CA 0.022 45.231 45.100 0.182 0.000 0.676 862 G HN 0.634 nan 8.290 nan 0.000 0.522 863 Q N -0.581 119.263 119.800 0.074 0.000 2.235 863 Q HA 0.700 5.040 4.340 -0.000 0.000 0.256 863 Q C 0.037 176.051 176.000 0.024 0.000 0.951 863 Q CA -0.542 55.313 55.803 0.086 0.000 0.890 863 Q CB 1.926 30.713 28.738 0.083 0.000 1.279 863 Q HN 0.367 nan 8.270 nan 0.000 0.444 864 M N 1.889 121.540 119.600 0.084 0.000 2.114 864 M HA 0.533 5.013 4.480 -0.000 0.000 0.332 864 M C -1.470 174.926 176.300 0.161 0.000 1.014 864 M CA -0.521 54.815 55.300 0.060 0.000 0.956 864 M CB 1.180 33.820 32.600 0.067 0.000 1.551 864 M HN 0.783 nan 8.290 nan 0.000 0.427 865 A N 6.919 129.803 122.820 0.108 0.000 2.276 865 A HA 0.759 5.079 4.320 -0.000 0.000 0.316 865 A C -0.830 176.800 177.584 0.078 0.000 1.229 865 A CA -0.664 51.436 52.037 0.106 0.000 0.851 865 A CB 0.480 19.522 19.000 0.071 0.000 1.165 865 A HN 0.904 nan 8.150 nan 0.000 0.513 866 I N 1.405 122.006 120.570 0.051 0.000 2.530 866 I HA 0.472 4.642 4.170 -0.000 0.000 0.297 866 I C -0.141 175.876 176.117 -0.166 0.000 1.011 866 I CA -0.378 60.866 61.300 -0.095 0.000 1.107 866 I CB 2.401 40.364 38.000 -0.062 0.000 1.285 866 I HN 0.501 nan 8.210 nan 0.000 0.436 867 T N 4.860 119.258 114.554 -0.261 0.000 2.879 867 T HA 0.537 4.887 4.350 -0.000 0.000 0.290 867 T C -0.720 173.770 174.700 -0.350 0.000 0.993 867 T CA -0.370 61.572 62.100 -0.263 0.000 0.975 867 T CB 1.859 70.668 68.868 -0.098 0.000 0.981 867 T HN 0.245 nan 8.240 nan 0.000 0.439 868 V N 4.187 123.767 119.914 -0.558 0.000 2.588 868 V HA 0.571 4.691 4.120 -0.000 0.000 0.304 868 V C -0.781 175.147 176.094 -0.278 0.000 1.042 868 V CA -0.909 61.090 62.300 -0.502 0.000 0.877 868 V CB 2.082 33.338 31.823 -0.945 0.000 0.996 868 V HN 0.844 nan 8.190 nan 0.000 0.425 869 D N 3.354 123.761 120.400 0.012 0.000 2.696 869 D HA 0.536 5.176 4.640 -0.000 0.000 0.251 869 D C -1.090 175.348 176.300 0.230 0.000 1.188 869 D CA -0.147 53.965 54.000 0.188 0.000 0.876 869 D CB 2.900 43.842 40.800 0.237 0.000 1.334 869 D HN 0.272 nan 8.370 nan 0.000 0.540 870 V N 1.805 121.894 119.914 0.292 0.000 2.715 870 V HA 0.376 4.496 4.120 -0.000 0.000 0.310 870 V C 0.026 176.278 176.094 0.263 0.000 1.054 870 V CA -0.736 61.741 62.300 0.295 0.000 0.928 870 V CB 2.632 34.649 31.823 0.323 0.000 1.007 870 V HN 0.394 nan 8.190 nan 0.000 0.437 871 E N 1.748 122.091 120.200 0.237 0.000 2.210 871 E HA 0.651 5.001 4.350 -0.000 0.000 0.266 871 E C -1.651 175.082 176.600 0.221 0.000 0.883 871 E CA -0.563 55.958 56.400 0.202 0.000 0.761 871 E CB 2.613 32.416 29.700 0.171 0.000 1.156 871 E HN 0.422 nan 8.360 nan 0.000 0.412 872 V N 2.115 122.159 119.914 0.217 0.000 2.487 872 V HA 0.397 4.517 4.120 -0.000 0.000 0.298 872 V C 0.028 176.237 176.094 0.191 0.000 1.028 872 V CA -0.910 61.543 62.300 0.255 0.000 0.860 872 V CB 1.559 33.540 31.823 0.265 0.000 0.991 872 V HN 0.843 nan 8.190 nan 0.000 0.427 873 A N 3.381 126.288 122.820 0.144 0.000 2.546 873 A HA 0.259 4.579 4.320 -0.000 0.000 0.243 873 A C 1.631 179.303 177.584 0.147 0.000 1.063 873 A CA 0.666 52.767 52.037 0.106 0.000 0.757 873 A CB 0.239 19.269 19.000 0.050 0.000 0.991 873 A HN 1.380 nan 8.150 nan 0.000 0.503 874 S N 1.307 117.083 115.700 0.127 0.000 2.442 874 S HA -0.149 4.321 4.470 -0.000 0.000 0.236 874 S C 0.886 175.573 174.600 0.144 0.000 1.007 874 S CA 1.344 59.632 58.200 0.147 0.000 0.965 874 S CB -0.268 62.995 63.200 0.105 0.000 0.773 874 S HN 0.817 nan 8.310 nan 0.000 0.504 875 D N 0.459 120.922 120.400 0.106 0.000 2.342 875 D HA 0.140 4.780 4.640 -0.000 0.000 0.221 875 D C 0.527 176.878 176.300 0.086 0.000 1.101 875 D CA -0.010 54.039 54.000 0.081 0.000 0.837 875 D CB -0.266 40.565 40.800 0.052 0.000 0.938 875 D HN 0.332 nan 8.370 nan 0.000 0.508 876 T N 0.618 115.254 114.554 0.137 0.000 2.943 876 T HA 0.455 4.805 4.350 -0.000 0.000 0.284 876 T C -2.689 172.136 174.700 0.209 0.000 1.015 876 T CA -2.025 60.184 62.100 0.180 0.000 1.042 876 T CB 1.392 70.398 68.868 0.229 0.000 1.055 876 T HN -0.212 nan 8.240 nan 0.000 0.500 877 P HA 0.196 nan 4.420 nan 0.000 0.271 877 P C -0.598 176.991 177.300 0.481 0.000 1.216 877 P CA -0.217 62.983 63.100 0.166 0.000 0.771 877 P CB 0.112 31.893 31.700 0.135 0.000 0.864 878 H N 3.077 122.487 119.070 0.566 0.000 3.034 878 H HA 0.074 4.630 4.556 -0.000 0.000 0.324 878 H C -1.901 173.762 175.328 0.558 0.000 1.015 878 H CA -1.633 54.692 56.048 0.463 0.000 1.429 878 H CB -0.963 29.004 29.762 0.341 0.000 1.429 878 H HN 0.300 nan 8.280 nan 0.000 0.585 879 P HA 0.082 nan 4.420 nan 0.000 0.275 879 P C 0.451 177.668 177.300 -0.138 0.000 1.228 879 P CA -0.300 62.860 63.100 0.100 0.000 0.786 879 P CB 0.771 32.373 31.700 -0.162 0.000 0.927 880 A N 3.480 125.992 122.820 -0.513 0.000 1.972 880 A HA -0.116 4.204 4.320 -0.000 0.000 0.219 880 A C 1.037 178.246 177.584 -0.625 0.000 1.169 880 A CA 1.570 53.250 52.037 -0.595 0.000 0.635 880 A CB -0.605 17.847 19.000 -0.913 0.000 0.810 880 A HN 0.768 nan 8.150 nan 0.000 0.446 881 R N -3.014 117.159 120.500 -0.545 0.000 2.752 881 R HA 0.689 5.029 4.340 -0.000 0.000 0.277 881 R C -1.893 174.171 176.300 -0.394 0.000 1.024 881 R CA -0.825 54.972 56.100 -0.504 0.000 0.866 881 R CB 0.538 30.486 30.300 -0.587 0.000 1.278 881 R HN 0.035 nan 8.270 nan 0.000 0.473 882 I N 1.158 121.527 120.570 -0.334 0.000 2.540 882 I HA 0.641 4.811 4.170 -0.000 0.000 0.280 882 I C -0.443 175.433 176.117 -0.401 0.000 1.083 882 I CA -0.443 60.662 61.300 -0.326 0.000 1.080 882 I CB 1.729 39.617 38.000 -0.186 0.000 1.205 882 I HN 1.009 nan 8.210 nan 0.000 0.459 883 G N 5.930 114.453 108.800 -0.462 0.000 2.578 883 G HA2 0.725 4.684 3.960 -0.000 0.000 0.302 883 G HA3 0.725 4.684 3.960 -0.000 0.000 0.302 883 G C -1.768 172.957 174.900 -0.292 0.000 1.243 883 G CA -0.525 44.357 45.100 -0.363 0.000 0.843 883 G HN 0.294 nan 8.290 nan 0.000 0.486 884 L N 0.674 121.772 121.223 -0.208 0.000 2.327 884 L HA 0.682 5.022 4.340 -0.000 0.000 0.258 884 L C -0.846 175.919 176.870 -0.175 0.000 1.024 884 L CA -1.139 53.600 54.840 -0.167 0.000 0.825 884 L CB 2.638 44.662 42.059 -0.058 0.000 1.386 884 L HN 0.875 nan 8.230 nan 0.000 0.417 885 N N 0.227 118.853 118.700 -0.124 0.000 2.823 885 N HA 0.689 5.428 4.740 -0.000 0.000 0.251 885 N C -1.275 174.244 175.510 0.015 0.000 1.392 885 N CA -0.552 52.460 53.050 -0.063 0.000 0.864 885 N CB 2.168 40.634 38.487 -0.036 0.000 1.481 885 N HN 0.884 nan 8.380 nan 0.000 0.508 886 C N -1.923 117.424 119.300 0.079 0.000 3.253 886 C HA 0.566 5.026 4.460 -0.000 0.000 0.342 886 C C -1.377 173.532 174.990 -0.135 0.000 1.306 886 C CA -0.860 58.178 59.018 0.033 0.000 1.207 886 C CB 0.937 28.682 27.740 0.008 0.000 1.479 886 C HN 0.880 nan 8.230 nan 0.000 0.469 887 Q N 1.359 120.868 119.800 -0.485 0.000 2.372 887 Q HA 0.640 4.980 4.340 -0.000 0.000 0.259 887 Q C -1.010 174.714 176.000 -0.460 0.000 0.993 887 Q CA -0.423 54.825 55.803 -0.925 0.000 0.854 887 Q CB 0.823 28.636 28.738 -1.542 0.000 1.231 887 Q HN 0.756 nan 8.270 nan 0.000 0.462 888 L N 2.742 123.779 121.223 -0.311 0.000 2.397 888 L HA 0.258 4.598 4.340 -0.000 0.000 0.271 888 L C 1.200 177.982 176.870 -0.146 0.000 1.148 888 L CA -0.237 54.526 54.840 -0.129 0.000 0.825 888 L CB 0.963 43.041 42.059 0.032 0.000 1.117 888 L HN 0.819 nan 8.230 nan 0.000 0.456 889 A N 2.544 125.299 122.820 -0.109 0.000 1.969 889 A HA -0.132 4.188 4.320 -0.000 0.000 0.218 889 A C 1.132 178.679 177.584 -0.061 0.000 1.169 889 A CA 0.757 52.729 52.037 -0.109 0.000 0.635 889 A CB -0.262 18.669 19.000 -0.115 0.000 0.810 889 A HN 0.817 nan 8.150 nan 0.000 0.445 890 Q N -0.598 119.196 119.800 -0.010 0.000 2.382 890 Q HA 0.464 4.804 4.340 -0.000 0.000 0.229 890 Q C -1.129 174.881 176.000 0.016 0.000 1.006 890 Q CA 0.095 55.890 55.803 -0.014 0.000 0.916 890 Q CB 0.939 29.672 28.738 -0.007 0.000 1.235 890 Q HN 0.140 nan 8.270 nan 0.000 0.512 891 V N 2.097 121.988 119.914 -0.039 0.000 2.610 891 V HA 0.739 4.859 4.120 -0.000 0.000 0.298 891 V C -0.866 175.180 176.094 -0.080 0.000 1.067 891 V CA -0.119 62.196 62.300 0.024 0.000 0.894 891 V CB 1.098 32.932 31.823 0.017 0.000 1.015 891 V HN 0.946 nan 8.190 nan 0.000 0.432 892 A N 3.279 126.008 122.820 -0.152 0.000 2.347 892 A HA 0.883 5.203 4.320 -0.000 0.000 0.301 892 A C 0.632 178.258 177.584 0.071 0.000 1.163 892 A CA -0.302 51.629 52.037 -0.176 0.000 0.860 892 A CB 1.497 20.194 19.000 -0.505 0.000 1.367 892 A HN 0.734 nan 8.150 nan 0.000 0.461 893 E N -0.295 119.933 120.200 0.047 0.000 2.060 893 E HA 0.069 4.419 4.350 -0.000 0.000 0.189 893 E C 0.614 177.300 176.600 0.143 0.000 0.974 893 E CA 1.020 57.471 56.400 0.086 0.000 0.808 893 E CB 0.141 29.868 29.700 0.046 0.000 0.768 893 E HN 0.527 nan 8.360 nan 0.000 0.453 894 R N -0.576 120.019 120.500 0.159 0.000 2.856 894 R HA 0.602 4.942 4.340 -0.000 0.000 0.258 894 R C -1.091 175.397 176.300 0.312 0.000 1.066 894 R CA -0.923 55.297 56.100 0.200 0.000 1.045 894 R CB 2.139 32.525 30.300 0.143 0.000 1.178 894 R HN -0.134 nan 8.270 nan 0.000 0.499 895 V N 1.548 121.650 119.914 0.312 0.000 2.623 895 V HA 0.332 4.452 4.120 -0.000 0.000 0.304 895 V C -0.654 175.708 176.094 0.447 0.000 1.054 895 V CA -0.948 61.574 62.300 0.371 0.000 0.882 895 V CB 1.914 33.910 31.823 0.287 0.000 1.002 895 V HN 0.719 nan 8.190 nan 0.000 0.424 896 N N 4.067 123.020 118.700 0.423 0.000 2.352 896 N HA 0.549 5.289 4.740 -0.000 0.000 0.291 896 N C -1.469 174.311 175.510 0.451 0.000 1.040 896 N CA -0.399 52.871 53.050 0.368 0.000 0.864 896 N CB 2.912 41.507 38.487 0.180 0.000 1.440 896 N HN 0.830 nan 8.380 nan 0.000 0.483 897 W N 3.139 124.497 121.300 0.096 0.000 3.074 897 W HA 0.614 5.274 4.660 -0.000 0.000 0.332 897 W C -2.146 174.375 176.519 0.003 0.000 1.253 897 W CA -1.072 56.313 57.345 0.068 0.000 1.180 897 W CB 0.734 30.266 29.460 0.119 0.000 1.445 897 W HN 0.237 nan 8.180 nan 0.000 0.573 898 L N 3.915 125.151 121.223 0.023 0.000 2.324 898 L HA 0.910 5.250 4.340 -0.000 0.000 0.274 898 L C -0.021 176.800 176.870 -0.082 0.000 1.012 898 L CA 0.395 55.081 54.840 -0.256 0.000 0.859 898 L CB 0.756 42.717 42.059 -0.163 0.000 1.224 898 L HN 1.029 nan 8.230 nan 0.000 0.429 899 G N 3.662 112.326 108.800 -0.227 0.000 2.392 899 G HA2 0.190 4.150 3.960 -0.000 0.000 0.260 899 G HA3 0.190 4.150 3.960 -0.000 0.000 0.260 899 G C -1.587 173.466 174.900 0.255 0.000 1.226 899 G CA -1.011 44.175 45.100 0.142 0.000 0.913 899 G HN 0.369 nan 8.290 nan 0.000 0.483 900 L N 1.524 122.976 121.223 0.381 0.000 2.361 900 L HA 0.582 4.922 4.340 -0.000 0.000 0.278 900 L C 0.966 177.903 176.870 0.111 0.000 1.113 900 L CA 0.509 55.492 54.840 0.239 0.000 0.849 900 L CB 0.442 42.573 42.059 0.120 0.000 1.155 900 L HN 0.975 nan 8.230 nan 0.000 0.452 901 G N 3.560 112.161 108.800 -0.330 0.000 2.606 901 G HA2 0.472 4.432 3.960 -0.000 0.000 0.300 901 G HA3 0.472 4.432 3.960 -0.000 0.000 0.300 901 G C -2.749 171.285 174.900 -1.442 0.000 1.360 901 G CA -0.376 44.056 45.100 -1.114 0.000 0.783 901 G HN 0.306 nan 8.290 nan 0.000 0.484 902 P HA 0.135 nan 4.420 nan 0.000 0.252 902 P C 0.209 177.303 177.300 -0.343 0.000 1.211 902 P CA 0.305 62.808 63.100 -0.995 0.000 0.824 902 P CB 0.613 31.883 31.700 -0.717 0.000 1.077 903 Q N 0.822 120.424 119.800 -0.330 0.000 2.318 903 Q HA 0.136 4.476 4.340 -0.000 0.000 0.222 903 Q C 0.336 176.210 176.000 -0.210 0.000 1.003 903 Q CA -0.527 55.153 55.803 -0.205 0.000 0.936 903 Q CB 0.785 29.430 28.738 -0.155 0.000 1.204 903 Q HN 0.176 nan 8.270 nan 0.000 0.524 904 E N 1.389 121.475 120.200 -0.190 0.000 2.608 904 E HA -0.146 4.204 4.350 -0.000 0.000 0.259 904 E C -1.027 175.482 176.600 -0.152 0.000 0.951 904 E CA 0.361 56.641 56.400 -0.201 0.000 0.945 904 E CB 0.200 29.854 29.700 -0.077 0.000 0.916 904 E HN 0.612 nan 8.360 nan 0.000 0.477 905 N N 2.773 121.300 118.700 -0.287 0.000 2.308 905 N HA 0.346 5.086 4.740 -0.000 0.000 0.283 905 N C -1.856 173.412 175.510 -0.403 0.000 1.105 905 N CA -0.680 52.257 53.050 -0.190 0.000 0.840 905 N CB 0.737 39.134 38.487 -0.150 0.000 1.633 905 N HN 0.225 nan 8.380 nan 0.000 0.476 906 Y N -0.190 120.021 120.300 -0.148 0.000 2.602 906 Y HA 0.514 5.064 4.550 -0.000 0.000 0.342 906 Y C -1.654 174.179 175.900 -0.111 0.000 1.029 906 Y CA -2.061 55.942 58.100 -0.162 0.000 1.080 906 Y CB 1.749 40.106 38.460 -0.172 0.000 1.284 906 Y HN 0.423 nan 8.280 nan 0.000 0.485 907 P HA -0.189 nan 4.420 nan 0.000 0.216 907 P C 0.438 177.677 177.300 -0.101 0.000 1.157 907 P CA 2.210 65.358 63.100 0.080 0.000 0.880 907 P CB 0.181 32.014 31.700 0.221 0.000 0.791 908 D N -2.104 118.038 120.400 -0.430 0.000 2.358 908 D HA 0.007 4.647 4.640 -0.000 0.000 0.224 908 D C 0.554 176.714 176.300 -0.233 0.000 1.123 908 D CA 0.033 53.575 54.000 -0.763 0.000 0.833 908 D CB -0.246 39.766 40.800 -1.312 0.000 0.946 908 D HN 0.139 nan 8.370 nan 0.000 0.505 909 R N 1.018 121.480 120.500 -0.063 0.000 2.928 909 R HA 0.213 4.553 4.340 -0.000 0.000 0.248 909 R C -0.762 175.573 176.300 0.058 0.000 1.796 909 R CA -0.219 55.899 56.100 0.029 0.000 1.477 909 R CB 0.082 30.401 30.300 0.031 0.000 1.484 909 R HN 0.117 nan 8.270 nan 0.000 0.623 910 L N -0.895 120.373 121.223 0.074 0.000 3.664 910 L HA 0.289 4.629 4.340 -0.000 0.000 0.341 910 L C 1.236 178.169 176.870 0.105 0.000 1.247 910 L CA 0.227 55.107 54.840 0.068 0.000 1.133 910 L CB 0.112 42.194 42.059 0.038 0.000 1.498 910 L HN 0.162 nan 8.230 nan 0.000 0.628 911 T N -2.376 112.268 114.554 0.150 0.000 2.881 911 T HA 0.001 4.351 4.350 -0.000 0.000 0.270 911 T C 1.700 176.502 174.700 0.170 0.000 1.068 911 T CA 1.392 63.607 62.100 0.192 0.000 1.131 911 T CB -0.294 68.728 68.868 0.258 0.000 0.871 911 T HN 0.431 nan 8.240 nan 0.000 0.479 912 A N 1.283 124.209 122.820 0.176 0.000 2.119 912 A HA 0.676 4.996 4.320 -0.000 0.000 0.216 912 A C 1.686 179.368 177.584 0.162 0.000 1.152 912 A CA 0.493 52.604 52.037 0.124 0.000 0.708 912 A CB -0.863 18.321 19.000 0.307 0.000 0.805 912 A HN 0.821 nan 8.150 nan 0.000 0.460 916 D N 3.057 122.875 120.400 -0.971 0.000 3.145 916 D HA 0.324 4.964 4.640 -0.000 0.000 0.345 916 D C -1.507 173.879 176.300 -1.524 0.000 1.391 916 D CA -0.675 52.574 54.000 -1.251 0.000 0.930 916 D CB 2.204 42.221 40.800 -1.305 0.000 1.451 916 D HN 0.628 nan 8.370 nan 0.000 0.555 917 R N 0.524 120.176 120.500 -1.414 0.000 2.229 917 R HA 0.477 4.817 4.340 -0.000 0.000 0.332 917 R C -1.274 174.219 176.300 -1.345 0.000 0.989 917 R CA -0.412 55.012 56.100 -1.126 0.000 0.842 917 R CB 0.503 30.415 30.300 -0.647 0.000 1.119 917 R HN 0.240 nan 8.270 nan 0.000 0.456 918 W N 2.784 123.524 121.300 -0.933 0.000 2.689 918 W HA 0.402 5.061 4.660 -0.000 0.000 0.340 918 W C -0.447 175.682 176.519 -0.649 0.000 1.060 918 W CA -0.638 56.101 57.345 -1.009 0.000 1.218 918 W CB 1.567 29.886 29.460 -1.901 0.000 1.410 918 W HN 0.337 nan 8.180 nan 0.000 0.528 919 D N 3.107 123.453 120.400 -0.090 0.000 2.686 919 D HA 0.518 5.158 4.640 -0.000 0.000 0.249 919 D C -1.276 175.121 176.300 0.162 0.000 1.260 919 D CA -0.121 53.926 54.000 0.078 0.000 0.910 919 D CB 1.209 42.021 40.800 0.020 0.000 1.323 919 D HN 0.393 nan 8.370 nan 0.000 0.561 920 L N 2.655 124.046 121.223 0.279 0.000 2.397 920 L HA 0.560 4.900 4.340 -0.000 0.000 0.251 920 L C -2.557 174.436 176.870 0.205 0.000 1.064 920 L CA -2.135 52.845 54.840 0.233 0.000 0.859 920 L CB 2.734 44.964 42.059 0.285 0.000 1.468 920 L HN 0.187 nan 8.230 nan 0.000 0.411 921 P HA 0.166 nan 4.420 nan 0.000 0.290 921 P C 0.464 177.843 177.300 0.131 0.000 1.276 921 P CA -0.509 62.670 63.100 0.131 0.000 0.808 921 P CB 1.319 33.076 31.700 0.094 0.000 0.966 922 L N 3.678 124.984 121.223 0.139 0.000 2.085 922 L HA -0.318 4.022 4.340 -0.000 0.000 0.218 922 L C 2.188 179.111 176.870 0.088 0.000 1.080 922 L CA 2.846 57.754 54.840 0.114 0.000 0.776 922 L CB -1.525 40.615 42.059 0.135 0.000 0.891 922 L HN 0.450 nan 8.230 nan 0.000 0.437 923 S N -1.815 113.939 115.700 0.090 0.000 2.400 923 S HA -0.192 4.278 4.470 -0.000 0.000 0.232 923 S C 1.624 176.294 174.600 0.117 0.000 1.025 923 S CA 1.243 59.505 58.200 0.103 0.000 0.993 923 S CB -0.774 62.477 63.200 0.084 0.000 0.808 923 S HN 0.528 nan 8.310 nan 0.000 0.478 924 D N 1.321 121.773 120.400 0.086 0.000 2.348 924 D HA 0.083 4.723 4.640 -0.000 0.000 0.216 924 D C 1.194 177.510 176.300 0.027 0.000 0.970 924 D CA 0.605 54.638 54.000 0.055 0.000 0.889 924 D CB -0.185 40.652 40.800 0.061 0.000 0.912 924 D HN 0.415 nan 8.370 nan 0.000 0.524 925 M N -0.231 119.394 119.600 0.043 0.000 2.581 925 M HA 0.080 4.560 4.480 -0.000 0.000 0.224 925 M C -0.154 176.164 176.300 0.031 0.000 1.171 925 M CA -0.019 55.265 55.300 -0.027 0.000 0.993 925 M CB -0.966 31.598 32.600 -0.060 0.000 1.685 925 M HN -0.053 nan 8.290 nan 0.000 0.479 926 Y N -0.158 120.097 120.300 -0.075 0.000 2.425 926 Y HA 0.484 5.034 4.550 -0.000 0.000 0.344 926 Y C -0.855 174.965 175.900 -0.134 0.000 0.969 926 Y CA -0.803 57.255 58.100 -0.070 0.000 1.052 926 Y CB 1.531 40.003 38.460 0.020 0.000 1.215 926 Y HN -0.077 nan 8.280 nan 0.000 0.451 927 T N 8.631 122.640 114.554 -0.908 0.000 2.893 927 T HA 0.261 4.611 4.350 -0.000 0.000 0.324 927 T C -2.658 171.197 174.700 -1.407 0.000 1.082 927 T CA -1.494 59.982 62.100 -1.041 0.000 0.983 927 T CB 0.962 69.331 68.868 -0.831 0.000 1.005 927 T HN 0.449 nan 8.240 nan 0.000 0.475 928 P HA 0.038 nan 4.420 nan 0.000 0.246 928 P C -0.564 176.559 177.300 -0.295 0.000 1.675 928 P CA -0.301 62.358 63.100 -0.735 0.000 0.908 928 P CB -0.896 30.527 31.700 -0.462 0.000 1.890 929 Y N -0.429 119.754 120.300 -0.194 0.000 2.632 929 Y HA -0.091 4.459 4.550 -0.000 0.000 0.329 929 Y C 2.272 178.188 175.900 0.026 0.000 1.174 929 Y CA -0.497 57.566 58.100 -0.062 0.000 1.469 929 Y CB 0.493 38.869 38.460 -0.141 0.000 1.242 929 Y HN -0.126 nan 8.280 nan 0.000 0.540 930 V N 4.315 124.417 119.914 0.315 0.000 2.250 930 V HA -0.337 3.783 4.120 -0.000 0.000 0.250 930 V C 0.627 176.873 176.094 0.253 0.000 1.060 930 V CA 1.679 64.147 62.300 0.280 0.000 1.030 930 V CB -0.512 31.512 31.823 0.334 0.000 0.643 930 V HN 0.606 nan 8.190 nan 0.000 0.445 931 F N 3.402 123.387 119.950 0.059 0.000 2.391 931 F HA 0.511 5.038 4.527 -0.000 0.000 0.359 931 F C -2.323 173.474 175.800 -0.005 0.000 1.122 931 F CA -3.189 54.797 58.000 -0.023 0.000 1.120 931 F CB 0.958 39.833 39.000 -0.208 0.000 1.142 931 F HN -0.001 nan 8.300 nan 0.000 0.483 932 P HA 0.350 nan 4.420 nan 0.000 0.278 932 P C -1.226 175.770 177.300 -0.507 0.000 1.238 932 P CA -0.181 62.655 63.100 -0.440 0.000 0.794 932 P CB 1.660 33.166 31.700 -0.324 0.000 0.955 933 S N -0.354 115.239 115.700 -0.178 0.000 2.656 933 S HA 0.375 4.845 4.470 -0.000 0.000 0.265 933 S C -0.834 173.757 174.600 -0.016 0.000 1.132 933 S CA -0.934 57.212 58.200 -0.089 0.000 0.819 933 S CB 0.247 63.431 63.200 -0.027 0.000 1.119 933 S HN 0.385 nan 8.310 nan 0.000 0.476 934 E N 1.229 121.430 120.200 0.002 0.000 2.568 934 E HA 0.336 4.686 4.350 -0.000 0.000 0.262 934 E C -0.078 176.567 176.600 0.076 0.000 0.961 934 E CA 1.140 57.564 56.400 0.039 0.000 0.945 934 E CB -0.314 29.432 29.700 0.077 0.000 0.924 934 E HN 0.835 nan 8.360 nan 0.000 0.467 935 N N 1.177 119.951 118.700 0.123 0.000 3.261 935 N HA 0.466 5.206 4.740 -0.000 0.000 0.248 935 N C 0.255 175.810 175.510 0.075 0.000 1.498 935 N CA -0.654 52.509 53.050 0.188 0.000 0.884 935 N CB 0.511 39.090 38.487 0.155 0.000 1.428 935 N HN 0.738 nan 8.380 nan 0.000 0.517 936 G N -1.399 107.410 108.800 0.014 0.000 2.189 936 G HA2 -0.280 3.680 3.960 -0.000 0.000 0.267 936 G HA3 -0.280 3.680 3.960 -0.000 0.000 0.267 936 G C -0.149 174.503 174.900 -0.414 0.000 0.975 936 G CA 0.565 45.558 45.100 -0.178 0.000 0.644 936 G HN 0.705 nan 8.290 nan 0.000 0.537 937 L N 0.974 121.880 121.223 -0.527 0.000 2.506 937 L HA 0.491 4.831 4.340 -0.000 0.000 0.281 937 L C 0.732 177.031 176.870 -0.951 0.000 1.228 937 L CA 0.322 54.614 54.840 -0.912 0.000 0.850 937 L CB 0.378 41.587 42.059 -1.416 0.000 1.110 937 L HN 0.313 nan 8.230 nan 0.000 0.496 938 R N 3.854 123.709 120.500 -1.074 0.000 2.532 938 R HA 0.475 4.815 4.340 -0.000 0.000 0.297 938 R C -1.066 174.868 176.300 -0.611 0.000 0.984 938 R CA -0.618 54.977 56.100 -0.841 0.000 0.884 938 R CB 0.731 30.491 30.300 -0.900 0.000 1.182 938 R HN 0.618 nan 8.270 nan 0.000 0.442 939 C N -0.440 118.651 119.300 -0.348 0.000 2.380 939 C HA 0.716 5.176 4.460 -0.000 0.000 0.393 939 C C 1.362 176.328 174.990 -0.040 0.000 1.284 939 C CA 0.088 58.990 59.018 -0.193 0.000 2.033 939 C CB 0.962 28.616 27.740 -0.144 0.000 2.165 939 C HN 1.057 nan 8.230 nan 0.000 0.540 940 G N 1.692 110.482 108.800 -0.016 0.000 2.338 940 G HA2 -0.166 3.793 3.960 -0.000 0.000 0.296 940 G HA3 -0.166 3.793 3.960 -0.000 0.000 0.296 940 G C -0.142 174.819 174.900 0.102 0.000 1.040 940 G CA 0.472 45.612 45.100 0.065 0.000 1.004 940 G HN 0.829 nan 8.290 nan 0.000 0.509 941 T N -0.511 113.973 114.554 -0.116 0.000 2.837 941 T HA 0.560 4.910 4.350 -0.000 0.000 0.285 941 T C 1.430 175.833 174.700 -0.495 0.000 0.984 941 T CA -0.528 61.445 62.100 -0.211 0.000 1.049 941 T CB 1.707 70.421 68.868 -0.257 0.000 0.947 941 T HN 0.332 nan 8.240 nan 0.000 0.472 942 R N 0.905 121.322 120.500 -0.138 0.000 2.287 942 R HA 0.254 4.594 4.340 -0.000 0.000 0.197 942 R C 0.448 176.800 176.300 0.087 0.000 0.900 942 R CA 0.148 56.236 56.100 -0.020 0.000 1.052 942 R CB 0.857 31.267 30.300 0.182 0.000 1.117 942 R HN 0.642 nan 8.270 nan 0.000 0.568 943 E N 1.056 121.325 120.200 0.115 0.000 2.304 943 E HA 0.287 4.637 4.350 -0.000 0.000 0.277 943 E C -1.989 174.767 176.600 0.260 0.000 0.898 943 E CA -0.630 55.906 56.400 0.226 0.000 0.764 943 E CB 1.765 31.566 29.700 0.168 0.000 1.216 943 E HN -0.113 nan 8.360 nan 0.000 0.419 944 L N 4.169 125.604 121.223 0.352 0.000 2.410 944 L HA 0.605 4.945 4.340 -0.000 0.000 0.270 944 L C -1.933 175.177 176.870 0.400 0.000 0.983 944 L CA -0.446 54.560 54.840 0.277 0.000 0.822 944 L CB 1.813 43.888 42.059 0.027 0.000 1.285 944 L HN 0.468 nan 8.230 nan 0.000 0.409 945 N N 4.468 123.365 118.700 0.328 0.000 2.346 945 N HA 0.415 5.155 4.740 -0.000 0.000 0.289 945 N C -2.001 173.761 175.510 0.421 0.000 1.027 945 N CA -0.214 53.034 53.050 0.331 0.000 0.864 945 N CB 2.033 40.647 38.487 0.211 0.000 1.370 945 N HN 0.604 nan 8.380 nan 0.000 0.481 946 Y N 1.371 121.851 120.300 0.301 0.000 2.330 946 Y HA 0.447 4.997 4.550 -0.000 0.000 0.324 946 Y C 0.577 176.618 175.900 0.235 0.000 1.093 946 Y CA 0.116 58.370 58.100 0.257 0.000 1.103 946 Y CB 0.616 39.252 38.460 0.293 0.000 1.183 946 Y HN 0.840 nan 8.280 nan 0.000 0.433 947 G N 6.492 115.208 108.800 -0.140 0.000 2.547 947 G HA2 -0.281 3.679 3.960 -0.000 0.000 0.271 947 G HA3 -0.281 3.679 3.960 -0.000 0.000 0.271 947 G C -1.830 173.009 174.900 -0.101 0.000 1.209 947 G CA -0.067 44.923 45.100 -0.182 0.000 0.959 947 G HN 0.553 nan 8.290 nan 0.000 0.563 948 P HA 0.093 nan 4.420 nan 0.000 0.237 948 P C 0.514 177.574 177.300 -0.399 0.000 1.178 948 P CA 1.107 64.030 63.100 -0.295 0.000 0.766 948 P CB -0.111 31.339 31.700 -0.416 0.000 0.876 949 H N -0.362 118.663 119.070 -0.076 0.000 2.505 949 H HA 0.513 5.069 4.556 -0.000 0.000 0.351 949 H C 0.333 175.440 175.328 -0.369 0.000 1.151 949 H CA -0.125 55.760 56.048 -0.271 0.000 1.339 949 H CB 0.763 30.198 29.762 -0.545 0.000 1.483 949 H HN -0.058 nan 8.280 nan 0.000 0.558 950 Q N 2.111 121.643 119.800 -0.447 0.000 2.284 950 Q HA 0.250 4.590 4.340 -0.000 0.000 0.269 950 Q C -1.933 173.821 176.000 -0.410 0.000 1.026 950 Q CA -0.727 54.926 55.803 -0.249 0.000 0.831 950 Q CB 1.668 30.389 28.738 -0.028 0.000 1.322 950 Q HN 0.623 nan 8.270 nan 0.000 0.419 951 W N 3.609 124.911 121.300 0.004 0.000 2.736 951 W HA 0.649 5.309 4.660 -0.000 0.000 0.335 951 W C -0.292 176.325 176.519 0.163 0.000 1.059 951 W CA -0.908 56.409 57.345 -0.047 0.000 1.226 951 W CB 2.178 31.423 29.460 -0.359 0.000 1.416 951 W HN 0.524 nan 8.180 nan 0.000 0.505 952 R N 0.600 121.354 120.500 0.425 0.000 2.673 952 R HA 0.730 5.070 4.340 -0.000 0.000 0.281 952 R C 0.075 176.653 176.300 0.463 0.000 0.991 952 R CA -0.497 55.864 56.100 0.434 0.000 0.896 952 R CB 2.419 32.885 30.300 0.277 0.000 1.201 952 R HN 0.789 nan 8.270 nan 0.000 0.457 953 G N 0.914 110.011 108.800 0.496 0.000 2.534 953 G HA2 -0.028 3.932 3.960 -0.000 0.000 0.142 953 G HA3 -0.028 3.932 3.960 -0.000 0.000 0.142 953 G C -1.757 173.310 174.900 0.278 0.000 1.178 953 G CA -0.402 44.947 45.100 0.415 0.000 1.037 953 G HN 0.483 nan 8.290 nan 0.000 0.474 954 D N 0.438 121.024 120.400 0.310 0.000 2.330 954 D HA 0.586 5.226 4.640 -0.000 0.000 0.249 954 D C -0.983 175.367 176.300 0.083 0.000 1.306 954 D CA -0.228 53.814 54.000 0.070 0.000 0.956 954 D CB 0.816 41.669 40.800 0.088 0.000 1.261 954 D HN 0.455 nan 8.370 nan 0.000 0.544 955 F N 0.097 120.049 119.950 0.003 0.000 3.016 955 F HA 0.595 5.122 4.527 -0.000 0.000 0.324 955 F C -1.215 174.560 175.800 -0.043 0.000 1.196 955 F CA -1.021 56.922 58.000 -0.095 0.000 0.929 955 F CB 0.719 39.650 39.000 -0.115 0.000 1.440 955 F HN -0.134 nan 8.300 nan 0.000 0.505 956 Q N 1.361 121.264 119.800 0.172 0.000 2.413 956 Q HA 0.707 5.047 4.340 -0.000 0.000 0.276 956 Q C -1.418 174.689 176.000 0.178 0.000 1.099 956 Q CA -0.556 55.267 55.803 0.035 0.000 0.814 956 Q CB 2.969 31.590 28.738 -0.194 0.000 1.379 956 Q HN 0.957 nan 8.270 nan 0.000 0.436 957 F N -1.276 118.559 119.950 -0.191 0.000 2.779 957 F HA 0.771 5.298 4.527 -0.000 0.000 0.316 957 F C -1.837 173.754 175.800 -0.349 0.000 1.164 957 F CA -1.037 56.813 58.000 -0.249 0.000 0.924 957 F CB 1.462 40.326 39.000 -0.226 0.000 1.348 957 F HN 0.642 nan 8.300 nan 0.000 0.467 958 N N 0.891 119.447 118.700 -0.241 0.000 2.494 958 N HA 0.711 5.450 4.740 -0.000 0.000 0.270 958 N C -2.189 173.301 175.510 -0.034 0.000 1.285 958 N CA -0.704 52.168 53.050 -0.296 0.000 0.812 958 N CB 2.528 40.838 38.487 -0.296 0.000 1.557 958 N HN 1.146 nan 8.380 nan 0.000 0.487 959 I N 0.372 120.902 120.570 -0.067 0.000 2.649 959 I HA 0.659 4.829 4.170 -0.000 0.000 0.289 959 I C -1.260 174.810 176.117 -0.078 0.000 1.222 959 I CA 0.086 61.324 61.300 -0.104 0.000 1.046 959 I CB 1.267 39.140 38.000 -0.212 0.000 1.272 959 I HN 1.058 nan 8.210 nan 0.000 0.425 960 S N 6.337 122.016 115.700 -0.034 0.000 2.755 960 S HA 0.554 5.024 4.470 -0.000 0.000 0.286 960 S C -0.321 174.243 174.600 -0.061 0.000 1.207 960 S CA -0.964 57.224 58.200 -0.019 0.000 0.892 960 S CB 1.628 64.896 63.200 0.113 0.000 1.240 960 S HN 0.623 nan 8.310 nan 0.000 0.525 961 R N -0.020 120.289 120.500 -0.318 0.000 2.507 961 R HA 0.290 4.630 4.340 -0.000 0.000 0.298 961 R C -1.102 174.864 176.300 -0.556 0.000 0.999 961 R CA 0.146 55.974 56.100 -0.453 0.000 1.082 961 R CB -0.489 29.407 30.300 -0.673 0.000 1.246 961 R HN 0.623 nan 8.270 nan 0.000 0.553 962 Y N 0.303 120.608 120.300 0.008 0.000 2.391 962 Y HA 0.233 4.783 4.550 -0.000 0.000 0.341 962 Y C 0.703 176.369 175.900 -0.390 0.000 0.965 962 Y CA -1.204 56.803 58.100 -0.154 0.000 1.067 962 Y CB 1.512 39.829 38.460 -0.238 0.000 1.199 962 Y HN -0.074 nan 8.280 nan 0.000 0.450 963 S N 1.755 117.121 115.700 -0.557 0.000 2.593 963 S HA 0.066 4.536 4.470 -0.000 0.000 0.269 963 S C 0.883 175.175 174.600 -0.514 0.000 1.334 963 S CA -0.636 56.900 58.200 -1.107 0.000 1.015 963 S CB 1.115 63.677 63.200 -1.063 0.000 0.912 963 S HN 0.760 nan 8.310 nan 0.000 0.541 964 Q N 0.729 120.231 119.800 -0.497 0.000 2.124 964 Q HA -0.209 4.131 4.340 -0.000 0.000 0.202 964 Q C 2.225 178.102 176.000 -0.204 0.000 0.977 964 Q CA 1.872 57.518 55.803 -0.262 0.000 0.850 964 Q CB -0.508 28.111 28.738 -0.198 0.000 0.901 964 Q HN 0.965 nan 8.270 nan 0.000 0.429 965 Q N 0.690 120.348 119.800 -0.236 0.000 2.096 965 Q HA -0.227 4.113 4.340 -0.000 0.000 0.204 965 Q C 2.149 178.070 176.000 -0.132 0.000 0.982 965 Q CA 1.436 57.151 55.803 -0.147 0.000 0.850 965 Q CB 0.024 28.691 28.738 -0.118 0.000 0.901 965 Q HN 0.387 nan 8.270 nan 0.000 0.422 966 Q N 0.115 119.820 119.800 -0.158 0.000 2.030 966 Q HA -0.200 4.140 4.340 -0.000 0.000 0.204 966 Q C 2.294 178.210 176.000 -0.140 0.000 0.986 966 Q CA 1.733 57.463 55.803 -0.122 0.000 0.843 966 Q CB -0.191 28.468 28.738 -0.131 0.000 0.904 966 Q HN 0.492 nan 8.270 nan 0.000 0.420 967 L N 0.113 121.238 121.223 -0.162 0.000 2.043 967 L HA -0.259 4.081 4.340 -0.000 0.000 0.212 967 L C 2.719 179.476 176.870 -0.189 0.000 1.075 967 L CA 1.441 56.170 54.840 -0.185 0.000 0.752 967 L CB -0.424 41.544 42.059 -0.151 0.000 0.891 967 L HN 0.433 nan 8.230 nan 0.000 0.432 968 M N -0.512 119.002 119.600 -0.143 0.000 2.229 968 M HA -0.178 4.302 4.480 -0.000 0.000 0.264 968 M C 1.728 177.964 176.300 -0.106 0.000 1.063 968 M CA 1.677 56.905 55.300 -0.120 0.000 1.114 968 M CB 0.098 32.635 32.600 -0.105 0.000 1.387 968 M HN 0.189 nan 8.290 nan 0.000 0.420 969 E N -0.656 119.487 120.200 -0.095 0.000 2.474 969 E HA 0.047 4.397 4.350 -0.000 0.000 0.194 969 E C -0.231 176.338 176.600 -0.051 0.000 1.041 969 E CA 0.149 56.514 56.400 -0.057 0.000 0.874 969 E CB 0.436 30.114 29.700 -0.037 0.000 0.914 969 E HN 0.347 nan 8.360 nan 0.000 0.498 970 T N 0.255 114.750 114.554 -0.098 0.000 2.837 970 T HA 0.107 4.457 4.350 -0.000 0.000 0.285 970 T C 1.117 175.750 174.700 -0.111 0.000 0.984 970 T CA -0.402 61.645 62.100 -0.087 0.000 1.049 970 T CB 1.678 70.472 68.868 -0.124 0.000 0.947 970 T HN 0.033 nan 8.240 nan 0.000 0.472 971 S N 1.482 117.209 115.700 0.044 0.000 2.486 971 S HA 0.106 4.576 4.470 -0.000 0.000 0.220 971 S C 0.246 174.940 174.600 0.157 0.000 1.011 971 S CA 0.133 58.428 58.200 0.158 0.000 0.921 971 S CB -0.174 63.265 63.200 0.399 0.000 0.785 971 S HN 0.729 nan 8.310 nan 0.000 0.517 972 H N 0.708 119.814 119.070 0.060 0.000 2.717 972 H HA 0.532 5.088 4.556 -0.000 0.000 0.366 972 H C 1.036 176.410 175.328 0.076 0.000 1.132 972 H CA -0.768 55.391 56.048 0.186 0.000 1.180 972 H CB 1.495 31.460 29.762 0.338 0.000 1.678 972 H HN 0.123 nan 8.280 nan 0.000 0.537 973 R N 1.541 122.203 120.500 0.269 0.000 2.091 973 R HA -0.200 4.140 4.340 -0.000 0.000 0.238 973 R C 1.347 177.712 176.300 0.109 0.000 1.136 973 R CA 2.004 58.183 56.100 0.132 0.000 0.959 973 R CB -0.622 29.758 30.300 0.134 0.000 0.856 973 R HN 0.792 nan 8.270 nan 0.000 0.437 974 H N 1.680 120.777 119.070 0.044 0.000 2.518 974 H HA -0.030 4.526 4.556 -0.000 0.000 0.292 974 H C 1.435 176.711 175.328 -0.088 0.000 1.068 974 H CA 1.065 57.096 56.048 -0.028 0.000 1.275 974 H CB -0.251 29.484 29.762 -0.043 0.000 1.375 974 H HN 0.356 nan 8.280 nan 0.000 0.563 975 L N 0.827 121.753 121.223 -0.495 0.000 2.611 975 L HA 0.256 4.596 4.340 -0.000 0.000 0.229 975 L C 0.306 177.095 176.870 -0.135 0.000 1.137 975 L CA -0.147 54.458 54.840 -0.393 0.000 0.901 975 L CB -0.001 41.812 42.059 -0.409 0.000 1.098 975 L HN 0.022 nan 8.230 nan 0.000 0.456 976 L N 0.842 121.995 121.223 -0.116 0.000 2.375 976 L HA 0.317 4.657 4.340 -0.000 0.000 0.271 976 L C 0.187 177.109 176.870 0.087 0.000 1.107 976 L CA -0.423 54.362 54.840 -0.090 0.000 0.806 976 L CB 0.748 42.595 42.059 -0.353 0.000 1.146 976 L HN 0.148 nan 8.230 nan 0.000 0.447 977 H N 1.362 120.514 119.070 0.137 0.000 2.600 977 H HA 0.654 5.210 4.556 -0.000 0.000 0.357 977 H C -0.763 174.628 175.328 0.105 0.000 1.106 977 H CA -1.179 54.934 56.048 0.108 0.000 1.193 977 H CB 1.377 31.152 29.762 0.022 0.000 1.594 977 H HN 0.713 nan 8.280 nan 0.000 0.526 978 A N 3.464 126.275 122.820 -0.015 0.000 2.531 978 A HA 0.099 4.419 4.320 -0.000 0.000 0.236 978 A C 0.328 177.852 177.584 -0.100 0.000 1.062 978 A CA -0.147 51.702 52.037 -0.314 0.000 0.760 978 A CB 0.065 18.909 19.000 -0.260 0.000 0.995 978 A HN 0.859 nan 8.150 nan 0.000 0.501 979 E N 0.568 120.670 120.200 -0.163 0.000 2.292 979 E HA 0.150 4.500 4.350 -0.000 0.000 0.258 979 E C 0.623 177.205 176.600 -0.031 0.000 1.115 979 E CA -0.706 55.707 56.400 0.022 0.000 0.929 979 E CB 0.725 30.529 29.700 0.175 0.000 1.161 979 E HN 0.822 nan 8.360 nan 0.000 0.453 980 E N 0.332 120.521 120.200 -0.018 0.000 2.065 980 E HA -0.224 4.126 4.350 -0.000 0.000 0.201 980 E C 0.937 177.467 176.600 -0.117 0.000 1.016 980 E CA 1.778 58.138 56.400 -0.066 0.000 0.818 980 E CB 0.002 29.665 29.700 -0.061 0.000 0.749 980 E HN 0.564 nan 8.360 nan 0.000 0.453 981 G N -1.460 107.219 108.800 -0.201 0.000 3.407 981 G HA2 0.264 4.224 3.960 -0.000 0.000 0.187 981 G HA3 0.264 4.224 3.960 -0.000 0.000 0.187 981 G C -0.692 174.099 174.900 -0.182 0.000 1.262 981 G CA -0.129 44.863 45.100 -0.181 0.000 0.808 981 G HN 0.109 nan 8.290 nan 0.000 0.687 982 T N 0.485 114.928 114.554 -0.186 0.000 2.812 982 T HA 0.377 4.727 4.350 -0.000 0.000 0.282 982 T C -1.488 173.064 174.700 -0.247 0.000 0.990 982 T CA -0.110 61.912 62.100 -0.131 0.000 0.960 982 T CB 1.496 70.397 68.868 0.055 0.000 0.948 982 T HN 0.321 nan 8.240 nan 0.000 0.438 983 W N 3.225 124.441 121.300 -0.139 0.000 2.316 983 W HA 0.607 5.267 4.660 -0.000 0.000 0.311 983 W C -0.332 176.074 176.519 -0.190 0.000 1.217 983 W CA -0.730 56.530 57.345 -0.143 0.000 1.199 983 W CB 0.829 30.214 29.460 -0.125 0.000 1.202 983 W HN 0.355 nan 8.180 nan 0.000 0.528 984 L N 5.623 126.907 121.223 0.102 0.000 2.381 984 L HA 0.500 4.840 4.340 -0.000 0.000 0.274 984 L C -1.159 175.642 176.870 -0.115 0.000 0.988 984 L CA -0.571 54.199 54.840 -0.117 0.000 0.824 984 L CB 1.063 42.919 42.059 -0.339 0.000 1.263 984 L HN 0.329 nan 8.230 nan 0.000 0.410 985 N N 6.968 125.583 118.700 -0.141 0.000 2.407 985 N HA 0.496 5.236 4.740 -0.000 0.000 0.277 985 N C -1.187 174.205 175.510 -0.197 0.000 0.995 985 N CA -0.284 52.671 53.050 -0.160 0.000 0.903 985 N CB 2.365 40.776 38.487 -0.126 0.000 1.218 985 N HN 0.541 nan 8.380 nan 0.000 0.487 986 I N 1.755 122.160 120.570 -0.275 0.000 2.382 986 I HA 0.235 4.405 4.170 -0.000 0.000 0.285 986 I C -0.640 175.313 176.117 -0.274 0.000 1.007 986 I CA -0.624 60.484 61.300 -0.320 0.000 1.142 986 I CB 1.469 39.131 38.000 -0.563 0.000 1.289 986 I HN 0.157 nan 8.210 nan 0.000 0.453 987 D N 4.529 124.804 120.400 -0.209 0.000 2.217 987 D HA 0.298 4.938 4.640 -0.000 0.000 0.243 987 D C 0.989 177.023 176.300 -0.442 0.000 1.054 987 D CA -0.198 53.624 54.000 -0.296 0.000 0.838 987 D CB 2.485 43.202 40.800 -0.139 0.000 1.162 987 D HN 0.692 nan 8.370 nan 0.000 0.472 988 G N 1.117 109.373 108.800 -0.906 0.000 2.430 988 G HA2 0.049 4.009 3.960 -0.000 0.000 0.216 988 G HA3 0.049 4.009 3.960 -0.000 0.000 0.216 988 G C 0.042 174.075 174.900 -1.445 0.000 1.146 988 G CA 0.467 44.750 45.100 -1.362 0.000 0.793 988 G HN 0.386 nan 8.290 nan 0.000 0.537 989 F N -1.801 117.955 119.950 -0.323 0.000 2.641 989 F HA 0.529 5.056 4.527 -0.000 0.000 0.308 989 F C -0.730 174.985 175.800 -0.142 0.000 1.105 989 F CA -1.231 56.665 58.000 -0.174 0.000 0.964 989 F CB 1.936 40.788 39.000 -0.247 0.000 1.294 989 F HN -0.076 nan 8.300 nan 0.000 0.442 990 H N 2.735 121.837 119.070 0.053 0.000 2.947 990 H HA 0.408 4.964 4.556 -0.000 0.000 0.354 990 H C -1.071 174.288 175.328 0.053 0.000 1.085 990 H CA -0.755 55.288 56.048 -0.007 0.000 1.253 990 H CB 2.366 32.103 29.762 -0.041 0.000 1.757 990 H HN 0.886 nan 8.280 nan 0.000 0.523 991 M N 2.939 122.490 119.600 -0.083 0.000 2.240 991 M HA 0.282 4.762 4.480 -0.000 0.000 0.317 991 M C 0.405 176.823 176.300 0.196 0.000 1.087 991 M CA 0.548 55.873 55.300 0.042 0.000 1.176 991 M CB 0.403 32.925 32.600 -0.128 0.000 1.439 991 M HN 0.684 nan 8.290 nan 0.000 0.452 992 G N 2.276 111.167 108.800 0.153 0.000 2.653 992 G HA2 0.358 4.318 3.960 -0.000 0.000 0.265 992 G HA3 0.358 4.318 3.960 -0.000 0.000 0.265 992 G C 0.522 175.398 174.900 -0.039 0.000 1.237 992 G CA -0.289 44.830 45.100 0.032 0.000 0.946 992 G HN 1.006 nan 8.290 nan 0.000 0.522 993 I N -2.589 117.905 120.570 -0.127 0.000 3.939 993 I HA 0.442 4.612 4.170 -0.000 0.000 0.313 993 I C 1.134 177.179 176.117 -0.121 0.000 1.274 993 I CA 0.520 61.717 61.300 -0.172 0.000 1.301 993 I CB -0.339 37.467 38.000 -0.323 0.000 1.105 993 I HN 0.957 nan 8.210 nan 0.000 0.427 994 G N 1.623 110.370 108.800 -0.089 0.000 2.645 994 G HA2 0.030 3.990 3.960 -0.000 0.000 0.239 994 G HA3 0.030 3.990 3.960 -0.000 0.000 0.239 994 G C 0.574 175.465 174.900 -0.015 0.000 1.331 994 G CA 0.140 45.228 45.100 -0.020 0.000 0.890 994 G HN 1.377 nan 8.290 nan 0.000 0.572 995 G N -2.401 106.408 108.800 0.014 0.000 2.559 995 G HA2 0.025 3.985 3.960 -0.000 0.000 0.202 995 G HA3 0.025 3.985 3.960 -0.000 0.000 0.202 995 G C 0.666 175.615 174.900 0.082 0.000 0.992 995 G CA 0.914 46.033 45.100 0.031 0.000 0.764 995 G HN 0.978 nan 8.290 nan 0.000 0.525 996 D N 1.291 121.755 120.400 0.107 0.000 2.203 996 D HA 0.070 4.710 4.640 -0.000 0.000 0.199 996 D C 0.948 177.273 176.300 0.043 0.000 0.997 996 D CA 2.176 56.290 54.000 0.190 0.000 0.863 996 D CB 0.092 41.015 40.800 0.205 0.000 0.928 996 D HN 0.832 nan 8.370 nan 0.000 0.458 997 D N -3.760 116.467 120.400 -0.288 0.000 2.653 997 D HA 0.282 4.922 4.640 -0.000 0.000 0.258 997 D C -0.796 174.998 176.300 -0.844 0.000 1.252 997 D CA -0.722 52.689 54.000 -0.982 0.000 0.777 997 D CB 0.807 40.533 40.800 -1.790 0.000 1.339 997 D HN -0.298 nan 8.370 nan 0.000 0.422 998 S N -0.303 114.716 115.700 -1.135 0.000 2.601 998 S HA 0.233 4.703 4.470 -0.000 0.000 0.244 998 S C -0.484 174.197 174.600 0.135 0.000 1.001 998 S CA -0.654 57.427 58.200 -0.198 0.000 0.984 998 S CB -0.523 62.835 63.200 0.264 0.000 0.842 998 S HN 0.610 nan 8.310 nan 0.000 0.474 999 W N 1.234 122.477 121.300 -0.096 0.000 2.252 999 W HA 0.578 5.238 4.660 -0.000 0.000 0.338 999 W C -0.043 176.430 176.519 -0.077 0.000 0.914 999 W CA -0.641 56.656 57.345 -0.080 0.000 1.754 999 W CB -0.551 28.799 29.460 -0.183 0.000 1.135 999 W HN 0.154 nan 8.180 nan 0.000 0.531 1000 S N -1.275 114.311 115.700 -0.190 0.000 2.588 1000 S HA 0.628 5.098 4.470 -0.000 0.000 0.269 1000 S C -3.213 171.319 174.600 -0.112 0.000 1.157 1000 S CA -1.558 56.564 58.200 -0.130 0.000 0.824 1000 S CB 1.637 64.761 63.200 -0.126 0.000 1.126 1000 S HN -0.207 nan 8.310 nan 0.000 0.464 1001 P HA 0.285 nan 4.420 nan 0.000 0.271 1001 P C 0.291 177.622 177.300 0.052 0.000 1.233 1001 P CA -0.217 62.895 63.100 0.021 0.000 0.764 1001 P CB 0.803 32.437 31.700 -0.109 0.000 0.825 1002 S N 0.774 116.532 115.700 0.097 0.000 2.701 1002 S HA 0.147 4.617 4.470 -0.000 0.000 0.242 1002 S C 0.331 175.007 174.600 0.126 0.000 1.025 1002 S CA -0.307 57.934 58.200 0.068 0.000 1.016 1002 S CB -0.219 62.976 63.200 -0.008 0.000 0.977 1002 S HN 0.120 nan 8.310 nan 0.000 0.546 1003 V N 4.307 124.339 119.914 0.197 0.000 2.455 1003 V HA 0.396 4.516 4.120 -0.000 0.000 0.273 1003 V C 0.771 177.022 176.094 0.262 0.000 1.045 1003 V CA -0.395 62.022 62.300 0.194 0.000 0.976 1003 V CB 0.692 32.590 31.823 0.126 0.000 0.993 1003 V HN 0.648 nan 8.190 nan 0.000 0.475 1004 S N 4.451 120.339 115.700 0.313 0.000 2.585 1004 S HA 0.414 4.884 4.470 -0.000 0.000 0.273 1004 S C 1.471 176.221 174.600 0.250 0.000 1.339 1004 S CA -0.068 58.300 58.200 0.281 0.000 1.028 1004 S CB 1.450 64.783 63.200 0.222 0.000 0.906 1004 S HN 1.059 nan 8.310 nan 0.000 0.528 1005 A N 2.041 124.951 122.820 0.150 0.000 1.915 1005 A HA -0.235 4.085 4.320 -0.000 0.000 0.220 1005 A C 1.897 179.475 177.584 -0.009 0.000 1.198 1005 A CA 2.218 54.317 52.037 0.103 0.000 0.647 1005 A CB -1.358 17.681 19.000 0.065 0.000 0.825 1005 A HN 0.965 nan 8.150 nan 0.000 0.456 1006 E N -0.904 119.196 120.200 -0.167 0.000 2.331 1006 E HA -0.138 4.212 4.350 -0.000 0.000 0.199 1006 E C 0.842 177.057 176.600 -0.641 0.000 1.008 1006 E CA 1.185 57.313 56.400 -0.453 0.000 0.843 1006 E CB -0.406 28.829 29.700 -0.775 0.000 0.761 1006 E HN 0.790 nan 8.360 nan 0.000 0.507 1007 F N 0.690 120.689 119.950 0.081 0.000 2.639 1007 F HA 0.218 4.745 4.527 -0.000 0.000 0.302 1007 F C 0.483 176.321 175.800 0.064 0.000 1.097 1007 F CA -0.410 57.638 58.000 0.079 0.000 1.294 1007 F CB 0.243 39.290 39.000 0.078 0.000 1.027 1007 F HN -0.167 nan 8.300 nan 0.000 0.550 1008 Q N 1.158 121.062 119.800 0.173 0.000 2.222 1008 Q HA 0.421 4.761 4.340 -0.000 0.000 0.252 1008 Q C -0.209 175.819 176.000 0.047 0.000 0.926 1008 Q CA -0.597 55.297 55.803 0.151 0.000 0.899 1008 Q CB 2.025 30.944 28.738 0.303 0.000 1.250 1008 Q HN 0.264 nan 8.270 nan 0.000 0.441 1009 L N 2.407 123.637 121.223 0.013 0.000 2.384 1009 L HA 0.090 4.430 4.340 -0.000 0.000 0.258 1009 L C 0.692 177.461 176.870 -0.168 0.000 1.266 1009 L CA -0.050 54.761 54.840 -0.049 0.000 1.162 1009 L CB -0.393 41.533 42.059 -0.222 0.000 1.375 1009 L HN 0.716 nan 8.230 nan 0.000 0.420 1010 S N -1.086 114.457 115.700 -0.263 0.000 2.539 1010 S HA 0.138 4.608 4.470 -0.000 0.000 0.221 1010 S C 1.726 176.229 174.600 -0.162 0.000 0.987 1010 S CA 0.183 58.050 58.200 -0.554 0.000 0.929 1010 S CB 0.696 63.596 63.200 -0.500 0.000 0.832 1010 S HN 0.516 nan 8.310 nan 0.000 0.492 1011 A N 1.695 124.473 122.820 -0.070 0.000 2.019 1011 A HA 0.397 4.717 4.320 -0.000 0.000 0.219 1011 A C 2.167 179.614 177.584 -0.229 0.000 1.164 1011 A CA 1.473 53.336 52.037 -0.289 0.000 0.644 1011 A CB -1.338 17.191 19.000 -0.785 0.000 0.805 1011 A HN 1.508 nan 8.150 nan 0.000 0.449 1012 G N -1.600 107.183 108.800 -0.030 0.000 2.417 1012 G HA2 -0.289 3.671 3.960 -0.000 0.000 0.233 1012 G HA3 -0.289 3.671 3.960 -0.000 0.000 0.233 1012 G C 0.432 175.343 174.900 0.018 0.000 1.103 1012 G CA 0.446 45.569 45.100 0.038 0.000 0.647 1012 G HN 0.730 nan 8.290 nan 0.000 0.512 1013 R N -0.599 119.761 120.500 -0.234 0.000 2.575 1013 R HA 0.683 5.023 4.340 -0.000 0.000 0.293 1013 R C -1.569 174.476 176.300 -0.426 0.000 0.983 1013 R CA -0.650 55.367 56.100 -0.137 0.000 0.887 1013 R CB 1.604 31.863 30.300 -0.068 0.000 1.184 1013 R HN 0.229 nan 8.270 nan 0.000 0.445 1014 Y N 0.154 120.465 120.300 0.019 0.000 2.512 1014 Y HA 0.389 4.939 4.550 -0.000 0.000 0.348 1014 Y C -0.401 175.697 175.900 0.331 0.000 0.990 1014 Y CA -0.915 57.203 58.100 0.031 0.000 1.033 1014 Y CB 2.150 40.463 38.460 -0.244 0.000 1.259 1014 Y HN 0.592 nan 8.280 nan 0.000 0.461 1015 H N 2.268 121.660 119.070 0.536 0.000 2.717 1015 H HA 0.662 5.218 4.556 -0.000 0.000 0.366 1015 H C -1.749 173.952 175.328 0.623 0.000 1.132 1015 H CA -0.999 55.323 56.048 0.457 0.000 1.180 1015 H CB 1.411 31.326 29.762 0.256 0.000 1.678 1015 H HN 0.596 nan 8.280 nan 0.000 0.537 1016 Y N 1.088 121.094 120.300 -0.489 0.000 2.624 1016 Y HA 0.504 5.054 4.550 -0.000 0.000 0.334 1016 Y C -1.992 173.703 175.900 -0.343 0.000 1.155 1016 Y CA -1.064 56.861 58.100 -0.290 0.000 1.046 1016 Y CB 1.280 39.663 38.460 -0.128 0.000 1.316 1016 Y HN 0.658 nan 8.280 nan 0.000 0.457 1017 Q N 3.076 122.833 119.800 -0.071 0.000 2.421 1017 Q HA 0.798 5.138 4.340 -0.000 0.000 0.280 1017 Q C -1.812 174.240 176.000 0.087 0.000 1.085 1017 Q CA -1.124 54.645 55.803 -0.057 0.000 0.807 1017 Q CB 3.709 32.474 28.738 0.045 0.000 1.405 1017 Q HN 0.758 nan 8.270 nan 0.000 0.419 1018 L N 0.796 122.058 121.223 0.064 0.000 2.540 1018 L HA 0.678 5.018 4.340 -0.000 0.000 0.256 1018 L C -1.605 175.368 176.870 0.171 0.000 1.001 1018 L CA -1.059 53.861 54.840 0.132 0.000 0.843 1018 L CB 2.714 44.821 42.059 0.080 0.000 1.436 1018 L HN 0.451 nan 8.230 nan 0.000 0.410 1019 V N 1.647 121.695 119.914 0.224 0.000 2.531 1019 V HA 0.491 4.611 4.120 -0.000 0.000 0.301 1019 V C -1.029 175.244 176.094 0.300 0.000 1.034 1019 V CA -0.447 61.999 62.300 0.244 0.000 0.865 1019 V CB 2.107 34.047 31.823 0.196 0.000 0.995 1019 V HN 0.643 nan 8.190 nan 0.000 0.424 1023 K N 0.000 120.329 120.400 -0.118 0.000 2.780 1023 K HA 0.000 4.320 4.320 -0.000 0.000 0.191 1023 K CA 0.000 56.241 56.287 -0.077 0.000 0.838 1023 K CB 0.000 32.464 32.500 -0.060 0.000 1.064 1023 K HN 0.000 nan 8.250 nan 0.000 0.543