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 1acl_1_A DATA FIRST_RESID 4 DATA SEQUENCE SELLVNTKSG KVMGTRVPVL SSHISAFLGI PFAEPPVGNM RFRRPEPKKP DATA SEQUENCE WSGVWNASTY PNNcQQYVDE QFPGFSGSEM WNPNREMSED cLYLNIWVPS DATA SEQUENCE PRPKSTTVMV WIYGGGFYSG SSTLDVYNGK YLAYTEEVVL VSLSYRVGAF DATA SEQUENCE GFLALHGSQE APGNVGLLDQ RMALQWVHDN IQFFGGDPKT VTIFGESAGG DATA SEQUENCE ASVGMHILSP GSRDLFRRAI LQSGSPNCPW ASVSVAEGRR RAVELGRNLN DATA SEQUENCE cNLNSDEELI HcLREKKPQE LIDVEWNVLP FDSIFRFSFV PVIDGEFFPT DATA SEQUENCE SLESMLNSGN FKKTQILLGV NKDEGSFFLL YGAPGFSKDS ESKISREDFM DATA SEQUENCE SGVKLSVPHA NDLGLDAVTL QYTDWMDDNN GIKNRDGLDD IVGDHNVIcP DATA SEQUENCE LMHFVNKYTK FGNGTYLYFF NHRASNLVWP EWMGVIHGYE IEFVFGLPLV DATA SEQUENCE KELNYTAEEE ALSRRIMHYW ATFAKTGNPN EXXXXXSKWP LFTTKEQKFI DATA SEQUENCE DLNTEPMKVH QRLRVQMcVF WNQFLPKLLN AT 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 4 S HA 0.000 nan 4.470 nan 0.000 0.327 4 S C 0.000 174.655 174.600 0.092 0.000 1.055 4 S CA 0.000 58.235 58.200 0.059 0.000 1.107 4 S CB 0.000 63.233 63.200 0.054 0.000 0.593 5 E N -0.518 119.740 120.200 0.097 0.000 2.130 5 E HA -0.128 4.222 4.350 -0.001 0.000 0.196 5 E C 0.784 177.526 176.600 0.236 0.000 0.998 5 E CA 1.351 57.836 56.400 0.141 0.000 0.806 5 E CB -0.212 29.558 29.700 0.117 0.000 0.738 5 E HN 0.451 nan 8.360 nan 0.000 0.459 6 L N 0.533 121.874 121.223 0.195 0.000 2.653 6 L HA 0.280 4.620 4.340 -0.001 0.000 0.231 6 L C -0.100 176.993 176.870 0.372 0.000 1.153 6 L CA 0.382 55.369 54.840 0.245 0.000 0.933 6 L CB 0.626 42.725 42.059 0.065 0.000 1.175 6 L HN 0.087 nan 8.230 nan 0.000 0.473 7 L N 0.727 122.120 121.223 0.284 0.000 2.442 7 L HA 0.476 4.816 4.340 -0.001 0.000 0.261 7 L C -0.562 176.378 176.870 0.116 0.000 1.000 7 L CA -0.594 54.386 54.840 0.233 0.000 0.882 7 L CB 1.388 43.532 42.059 0.141 0.000 1.207 7 L HN -0.087 nan 8.230 nan 0.000 0.443 8 V N 2.192 122.132 119.914 0.043 0.000 2.966 8 V HA 0.629 4.748 4.120 -0.001 0.000 0.317 8 V C -0.723 175.269 176.094 -0.170 0.000 1.070 8 V CA -0.559 61.626 62.300 -0.192 0.000 1.008 8 V CB 1.977 33.457 31.823 -0.571 0.000 1.070 8 V HN 0.742 nan 8.190 nan 0.000 0.457 9 N N 1.504 120.017 118.700 -0.311 0.000 2.372 9 N HA 0.622 5.362 4.740 -0.001 0.000 0.285 9 N C -0.508 174.650 175.510 -0.586 0.000 1.008 9 N CA 0.129 52.975 53.050 -0.340 0.000 0.880 9 N CB 1.965 40.228 38.487 -0.374 0.000 1.239 9 N HN 1.176 nan 8.380 nan 0.000 0.484 10 T N -0.788 113.528 114.554 -0.397 0.000 2.888 10 T HA 0.419 4.768 4.350 -0.001 0.000 0.288 10 T C 0.950 175.427 174.700 -0.371 0.000 1.063 10 T CA -0.606 61.259 62.100 -0.391 0.000 1.010 10 T CB 1.457 70.283 68.868 -0.070 0.000 1.214 10 T HN 0.226 nan 8.240 nan 0.000 0.533 11 K N 0.284 120.542 120.400 -0.236 0.000 2.519 11 K HA 0.072 4.392 4.320 -0.001 0.000 0.196 11 K C 1.902 178.324 176.600 -0.296 0.000 1.041 11 K CA 0.772 56.919 56.287 -0.233 0.000 0.954 11 K CB -0.102 32.311 32.500 -0.145 0.000 0.774 11 K HN 0.420 nan 8.250 nan 0.000 0.480 12 S N -0.782 114.677 115.700 -0.400 0.000 2.497 12 S HA 0.248 4.718 4.470 -0.001 0.000 0.218 12 S C 0.546 174.434 174.600 -1.186 0.000 1.023 12 S CA 0.351 58.139 58.200 -0.687 0.000 0.913 12 S CB 0.880 63.694 63.200 -0.644 0.000 0.800 12 S HN 0.538 nan 8.310 nan 0.000 0.505 13 G N 0.773 109.074 108.800 -0.831 0.000 2.356 13 G HA2 0.270 4.230 3.960 -0.001 0.000 0.288 13 G HA3 0.270 4.230 3.960 -0.001 0.000 0.288 13 G C -2.057 172.810 174.900 -0.055 0.000 1.302 13 G CA -1.080 43.608 45.100 -0.687 0.000 0.887 13 G HN 0.086 nan 8.290 nan 0.000 0.521 14 K N -0.745 119.813 120.400 0.264 0.000 2.098 14 K HA 0.703 5.023 4.320 -0.001 0.000 0.261 14 K C 0.000 176.972 176.600 0.620 0.000 0.987 14 K CA -0.439 56.042 56.287 0.322 0.000 0.916 14 K CB 2.027 34.657 32.500 0.217 0.000 1.039 14 K HN 1.250 nan 8.250 nan 0.000 0.455 15 V N -0.414 119.785 119.914 0.475 0.000 2.623 15 V HA 0.544 4.663 4.120 -0.001 0.000 0.304 15 V C -1.051 175.338 176.094 0.492 0.000 1.054 15 V CA -1.004 61.630 62.300 0.556 0.000 0.882 15 V CB 1.643 33.856 31.823 0.651 0.000 1.002 15 V HN 0.780 nan 8.190 nan 0.000 0.424 16 M N 5.564 125.411 119.600 0.411 0.000 2.080 16 M HA 0.794 5.274 4.480 -0.001 0.000 0.350 16 M C 0.469 176.917 176.300 0.247 0.000 1.173 16 M CA 0.555 56.038 55.300 0.305 0.000 1.052 16 M CB 0.520 33.217 32.600 0.162 0.000 1.577 16 M HN 1.095 nan 8.290 nan 0.000 0.455 17 G N 2.812 111.674 108.800 0.104 0.000 2.773 17 G HA2 0.786 4.746 3.960 -0.001 0.000 0.186 17 G HA3 0.786 4.746 3.960 -0.001 0.000 0.186 17 G C -1.003 173.702 174.900 -0.325 0.000 1.411 17 G CA -0.461 44.385 45.100 -0.423 0.000 1.054 17 G HN 0.642 nan 8.290 nan 0.000 0.579 18 T N -0.532 113.763 114.554 -0.432 0.000 2.821 18 T HA 0.509 4.858 4.350 -0.001 0.000 0.306 18 T C -1.006 173.574 174.700 -0.199 0.000 1.313 18 T CA -0.809 61.152 62.100 -0.232 0.000 1.012 18 T CB 1.974 70.730 68.868 -0.186 0.000 1.298 18 T HN 0.290 nan 8.240 nan 0.000 0.502 19 R N 1.619 122.057 120.500 -0.103 0.000 2.297 19 R HA 0.632 4.972 4.340 -0.001 0.000 0.308 19 R C -0.460 175.815 176.300 -0.041 0.000 1.029 19 R CA -0.491 55.575 56.100 -0.056 0.000 0.929 19 R CB 1.354 31.642 30.300 -0.021 0.000 1.046 19 R HN 0.595 nan 8.270 nan 0.000 0.461 20 V N 1.008 120.914 119.914 -0.013 0.000 2.588 20 V HA 0.615 4.735 4.120 -0.001 0.000 0.304 20 V C -2.519 173.570 176.094 -0.009 0.000 1.042 20 V CA -2.638 59.661 62.300 -0.001 0.000 0.877 20 V CB 2.175 34.021 31.823 0.038 0.000 0.996 20 V HN 0.549 nan 8.190 nan 0.000 0.425 21 P HA 0.456 nan 4.420 nan 0.000 0.274 21 P C -0.802 176.420 177.300 -0.130 0.000 1.237 21 P CA -0.226 62.841 63.100 -0.056 0.000 0.793 21 P CB 1.768 33.439 31.700 -0.047 0.000 0.977 22 V N 3.986 123.779 119.914 -0.200 0.000 2.739 22 V HA 0.270 4.390 4.120 -0.001 0.000 0.293 22 V C 0.161 175.975 176.094 -0.466 0.000 1.199 22 V CA -0.569 61.497 62.300 -0.391 0.000 0.931 22 V CB 0.070 31.587 31.823 -0.510 0.000 1.052 22 V HN 0.610 nan 8.190 nan 0.000 0.441 23 L N 4.312 125.355 121.223 -0.300 0.000 6.706 23 L HA -0.247 4.093 4.340 -0.001 0.000 0.053 23 L C 1.320 178.106 176.870 -0.141 0.000 1.950 23 L CA 1.451 56.157 54.840 -0.223 0.000 1.620 23 L CB -1.720 40.148 42.059 -0.318 0.000 2.781 23 L HN 0.749 nan 8.230 nan 0.000 1.068 24 S N -0.104 115.540 115.700 -0.094 0.000 2.743 24 S HA 0.298 4.768 4.470 -0.001 0.000 0.230 24 S C 0.153 174.761 174.600 0.014 0.000 0.950 24 S CA 0.361 58.550 58.200 -0.017 0.000 0.976 24 S CB 0.056 63.272 63.200 0.027 0.000 0.779 24 S HN 0.482 nan 8.310 nan 0.000 0.487 25 S N -0.139 115.551 115.700 -0.015 0.000 3.952 25 S HA 0.822 5.292 4.470 -0.001 0.000 0.293 25 S C -0.075 174.545 174.600 0.034 0.000 1.090 25 S CA -0.354 57.887 58.200 0.069 0.000 1.264 25 S CB 0.510 63.872 63.200 0.270 0.000 1.393 25 S HN 0.594 nan 8.310 nan 0.000 0.757 26 H N -0.950 118.180 119.070 0.100 0.000 2.933 26 H HA 0.943 5.499 4.556 -0.001 0.000 0.310 26 H C -1.444 173.970 175.328 0.145 0.000 1.351 26 H CA -0.558 55.536 56.048 0.075 0.000 1.137 26 H CB 0.645 30.439 29.762 0.054 0.000 1.853 26 H HN 0.647 nan 8.280 nan 0.000 0.539 27 I N -0.221 120.416 120.570 0.113 0.000 3.149 27 I HA 0.448 4.617 4.170 -0.001 0.000 0.310 27 I C -0.739 175.429 176.117 0.085 0.000 1.343 27 I CA -0.801 60.588 61.300 0.149 0.000 0.955 27 I CB 2.566 40.689 38.000 0.205 0.000 1.309 27 I HN 0.722 nan 8.210 nan 0.000 0.478 28 S N 1.925 117.677 115.700 0.087 0.000 2.509 28 S HA 0.847 5.317 4.470 -0.001 0.000 0.297 28 S C -0.587 173.913 174.600 -0.166 0.000 1.118 28 S CA -0.628 57.535 58.200 -0.062 0.000 1.074 28 S CB 1.904 65.122 63.200 0.030 0.000 1.038 28 S HN 0.654 nan 8.310 nan 0.000 0.498 29 A N 1.763 124.308 122.820 -0.458 0.000 2.414 29 A HA 0.821 5.141 4.320 -0.001 0.000 0.306 29 A C -1.462 175.634 177.584 -0.813 0.000 1.054 29 A CA -0.675 51.024 52.037 -0.563 0.000 0.724 29 A CB 0.633 19.347 19.000 -0.477 0.000 1.267 29 A HN 0.666 nan 8.150 nan 0.000 0.418 30 F N 2.970 122.723 119.950 -0.327 0.000 2.434 30 F HA 0.406 4.932 4.527 -0.000 0.000 0.367 30 F C -0.417 175.207 175.800 -0.294 0.000 1.093 30 F CA -0.704 57.203 58.000 -0.155 0.000 1.085 30 F CB 1.369 40.387 39.000 0.030 0.000 1.322 30 F HN 0.220 nan 8.300 nan 0.000 0.452 31 L N 2.016 123.096 121.223 -0.239 0.000 2.312 31 L HA 0.577 4.917 4.340 -0.001 0.000 0.281 31 L C 1.102 177.948 176.870 -0.040 0.000 1.070 31 L CA -0.419 54.253 54.840 -0.281 0.000 0.805 31 L CB 0.685 42.467 42.059 -0.462 0.000 1.174 31 L HN 0.839 nan 8.230 nan 0.000 0.434 32 G N 3.373 112.180 108.800 0.012 0.000 2.137 32 G HA2 -0.249 3.711 3.960 -0.001 0.000 0.237 32 G HA3 -0.249 3.711 3.960 -0.001 0.000 0.237 32 G C 0.235 175.279 174.900 0.240 0.000 1.002 32 G CA -0.202 44.965 45.100 0.111 0.000 0.702 32 G HN 0.477 nan 8.290 nan 0.000 0.515 33 I N 2.321 122.942 120.570 0.085 0.000 2.556 33 I HA 0.246 4.415 4.170 -0.001 0.000 0.284 33 I C -1.398 174.573 176.117 -0.243 0.000 1.114 33 I CA -1.978 59.214 61.300 -0.179 0.000 1.418 33 I CB 0.900 38.785 38.000 -0.192 0.000 1.394 33 I HN -0.050 nan 8.210 nan 0.000 0.552 34 P HA 0.106 nan 4.420 nan 0.000 0.274 34 P C -0.343 176.652 177.300 -0.509 0.000 1.231 34 P CA 0.018 62.658 63.100 -0.767 0.000 0.790 34 P CB 0.520 31.680 31.700 -0.899 0.000 0.951 35 F N -0.989 118.653 119.950 -0.513 0.000 2.915 35 F HA 0.756 5.283 4.527 -0.001 0.000 0.347 35 F C -0.046 175.648 175.800 -0.176 0.000 1.104 35 F CA -0.614 57.146 58.000 -0.401 0.000 1.126 35 F CB -0.040 38.688 39.000 -0.454 0.000 1.145 35 F HN 0.388 nan 8.300 nan 0.000 0.541 36 A N -0.024 122.541 122.820 -0.425 0.000 2.567 36 A HA 0.702 5.022 4.320 -0.001 0.000 0.289 36 A C -1.155 176.270 177.584 -0.265 0.000 1.177 36 A CA -0.728 51.184 52.037 -0.209 0.000 0.694 36 A CB 1.046 19.939 19.000 -0.178 0.000 1.292 36 A HN 0.047 nan 8.150 nan 0.000 0.425 37 E N 1.018 121.131 120.200 -0.145 0.000 2.266 37 E HA 0.420 4.770 4.350 -0.001 0.000 0.277 37 E C -2.501 174.005 176.600 -0.157 0.000 1.018 37 E CA -1.798 54.528 56.400 -0.123 0.000 0.840 37 E CB 0.755 30.429 29.700 -0.044 0.000 1.082 37 E HN 0.248 nan 8.360 nan 0.000 0.395 38 P HA 0.026 nan 4.420 nan 0.000 0.258 38 P C -2.324 174.919 177.300 -0.094 0.000 1.187 38 P CA -0.885 62.144 63.100 -0.118 0.000 0.767 38 P CB -0.244 31.426 31.700 -0.051 0.000 0.770 39 P HA 0.025 nan 4.420 nan 0.000 0.220 39 P C -0.188 177.043 177.300 -0.115 0.000 1.806 39 P CA -0.102 62.939 63.100 -0.098 0.000 0.976 39 P CB -0.120 31.520 31.700 -0.100 0.000 1.952 40 V N -2.102 117.757 119.914 -0.090 0.000 2.716 40 V HA 0.827 4.947 4.120 -0.001 0.000 0.304 40 V C 1.206 177.256 176.094 -0.072 0.000 1.053 40 V CA 0.250 62.493 62.300 -0.095 0.000 0.984 40 V CB 0.608 32.388 31.823 -0.071 0.000 1.021 40 V HN 0.571 nan 8.190 nan 0.000 0.467 41 G N 2.620 111.372 108.800 -0.080 0.000 2.686 41 G HA2 -0.468 3.492 3.960 -0.001 0.000 0.329 41 G HA3 -0.468 3.492 3.960 -0.001 0.000 0.329 41 G C 1.105 175.989 174.900 -0.026 0.000 1.187 41 G CA 1.946 47.021 45.100 -0.042 0.000 0.965 41 G HN 1.866 nan 8.290 nan 0.000 0.549 42 N N -0.229 118.474 118.700 0.006 0.000 2.205 42 N HA 0.062 4.801 4.740 -0.001 0.000 0.186 42 N C 2.466 177.988 175.510 0.019 0.000 1.015 42 N CA 2.486 55.554 53.050 0.030 0.000 0.862 42 N CB -0.475 38.028 38.487 0.027 0.000 0.986 42 N HN 0.704 nan 8.380 nan 0.000 0.429 43 M N -0.105 119.488 119.600 -0.012 0.000 2.659 43 M HA 0.042 4.522 4.480 -0.001 0.000 0.243 43 M C 1.096 177.362 176.300 -0.056 0.000 1.111 43 M CA -0.093 55.197 55.300 -0.016 0.000 1.070 43 M CB 0.042 32.627 32.600 -0.025 0.000 1.525 43 M HN 0.326 nan 8.290 nan 0.000 0.517 44 R N 0.616 121.037 120.500 -0.132 0.000 2.638 44 R HA -0.119 4.221 4.340 -0.001 0.000 0.268 44 R C -0.275 175.878 176.300 -0.245 0.000 1.006 44 R CA 0.710 56.592 56.100 -0.364 0.000 1.088 44 R CB 0.170 30.094 30.300 -0.625 0.000 0.950 44 R HN 0.271 nan 8.270 nan 0.000 0.419 45 F N -0.673 119.306 119.950 0.048 0.000 2.825 45 F HA -0.304 4.223 4.527 -0.001 0.000 0.358 45 F C 0.448 176.249 175.800 0.002 0.000 0.639 45 F CA 0.866 58.873 58.000 0.012 0.000 1.153 45 F CB -1.278 37.723 39.000 0.002 0.000 1.610 45 F HN 0.571 nan 8.300 nan 0.000 0.305 46 R N 0.692 121.269 120.500 0.128 0.000 2.553 46 R HA 0.625 4.965 4.340 -0.001 0.000 0.263 46 R C 0.652 176.988 176.300 0.059 0.000 1.066 46 R CA -0.678 55.475 56.100 0.088 0.000 1.135 46 R CB 0.614 30.949 30.300 0.059 0.000 1.148 46 R HN 0.019 nan 8.270 nan 0.000 0.558 47 R N 0.944 121.477 120.500 0.055 0.000 2.679 47 R HA 0.214 4.554 4.340 -0.001 0.000 0.269 47 R C -1.971 174.357 176.300 0.046 0.000 1.076 47 R CA -1.303 54.828 56.100 0.052 0.000 1.160 47 R CB -1.017 29.320 30.300 0.062 0.000 1.054 47 R HN 0.554 nan 8.270 nan 0.000 0.507 48 P HA 0.158 nan 4.420 nan 0.000 0.271 48 P C -0.459 176.875 177.300 0.058 0.000 1.216 48 P CA -0.160 62.973 63.100 0.055 0.000 0.771 48 P CB 0.540 32.303 31.700 0.104 0.000 0.864 49 E N 3.133 123.354 120.200 0.035 0.000 2.250 49 E HA 0.396 4.746 4.350 -0.001 0.000 0.269 49 E C -2.173 174.462 176.600 0.058 0.000 1.018 49 E CA -1.833 54.593 56.400 0.043 0.000 0.873 49 E CB 0.505 30.221 29.700 0.027 0.000 1.134 49 E HN 0.494 nan 8.360 nan 0.000 0.403 50 P HA 0.239 nan 4.420 nan 0.000 0.277 50 P C -0.787 176.568 177.300 0.091 0.000 1.240 50 P CA -0.584 62.585 63.100 0.115 0.000 0.798 50 P CB 0.487 32.258 31.700 0.119 0.000 0.979 51 K N 3.241 123.710 120.400 0.115 0.000 2.338 51 K HA 0.098 4.418 4.320 -0.001 0.000 0.290 51 K C -0.049 176.637 176.600 0.144 0.000 1.069 51 K CA 0.078 56.429 56.287 0.106 0.000 0.941 51 K CB -0.443 32.132 32.500 0.126 0.000 1.023 51 K HN 0.217 nan 8.250 nan 0.000 0.477 52 K N 5.770 126.240 120.400 0.117 0.000 2.524 52 K HA 0.025 4.345 4.320 -0.001 0.000 0.279 52 K C -2.080 174.605 176.600 0.141 0.000 0.993 52 K CA -1.210 55.139 56.287 0.104 0.000 1.030 52 K CB -0.127 32.431 32.500 0.098 0.000 0.891 52 K HN 0.501 nan 8.250 nan 0.000 0.488 53 P HA 0.060 nan 4.420 nan 0.000 0.272 53 P C -1.116 176.218 177.300 0.057 0.000 1.230 53 P CA -0.341 62.672 63.100 -0.144 0.000 0.788 53 P CB 0.321 31.888 31.700 -0.221 0.000 0.949 54 W N -0.450 120.915 121.300 0.108 0.000 2.671 54 W HA 0.766 5.425 4.660 -0.000 0.000 0.360 54 W C -0.777 175.814 176.519 0.120 0.000 1.128 54 W CA -0.714 56.718 57.345 0.144 0.000 1.184 54 W CB 0.126 29.738 29.460 0.254 0.000 1.415 54 W HN 0.091 nan 8.180 nan 0.000 0.604 55 S N 0.355 116.268 115.700 0.356 0.000 2.638 55 S HA 0.781 5.251 4.470 -0.001 0.000 0.298 55 S C 0.237 175.021 174.600 0.306 0.000 1.111 55 S CA 0.304 58.641 58.200 0.228 0.000 1.027 55 S CB 1.014 64.305 63.200 0.151 0.000 1.064 55 S HN 1.419 nan 8.310 nan 0.000 0.525 56 G N 0.142 109.071 108.800 0.214 0.000 2.877 56 G HA2 -0.143 3.817 3.960 -0.001 0.000 0.279 56 G HA3 -0.143 3.817 3.960 -0.001 0.000 0.279 56 G C -0.580 174.500 174.900 0.301 0.000 1.431 56 G CA -0.285 44.935 45.100 0.200 0.000 0.883 56 G HN 1.109 nan 8.290 nan 0.000 0.547 57 V N 2.272 122.319 119.914 0.223 0.000 2.439 57 V HA 0.607 4.726 4.120 -0.001 0.000 0.282 57 V C 0.573 176.808 176.094 0.234 0.000 1.039 57 V CA -0.801 61.669 62.300 0.284 0.000 0.913 57 V CB 1.210 33.151 31.823 0.197 0.000 0.983 57 V HN 0.968 nan 8.190 nan 0.000 0.460 58 W N 6.346 127.704 121.300 0.096 0.000 2.218 58 W HA 0.215 4.875 4.660 -0.000 0.000 0.326 58 W C 0.127 176.631 176.519 -0.025 0.000 1.276 58 W CA -0.335 56.919 57.345 -0.151 0.000 1.210 58 W CB 0.761 29.907 29.460 -0.524 0.000 1.143 58 W HN 0.745 nan 8.180 nan 0.000 0.563 59 N N 4.193 122.606 118.700 -0.477 0.000 2.767 59 N HA 0.329 5.069 4.740 -0.001 0.000 0.238 59 N C -0.229 175.253 175.510 -0.048 0.000 1.083 59 N CA -0.186 52.756 53.050 -0.181 0.000 0.964 59 N CB 0.286 38.622 38.487 -0.253 0.000 1.252 59 N HN 0.415 nan 8.380 nan 0.000 0.512 60 A N 2.369 125.324 122.820 0.225 0.000 3.135 60 A HA 0.114 4.433 4.320 -0.001 0.000 0.253 60 A C 0.926 178.523 177.584 0.023 0.000 1.638 60 A CA -0.357 51.825 52.037 0.240 0.000 1.295 60 A CB -0.499 18.744 19.000 0.404 0.000 1.106 60 A HN 0.635 nan 8.150 nan 0.000 0.648 61 S N -1.062 114.611 115.700 -0.044 0.000 2.559 61 S HA 0.183 4.653 4.470 -0.001 0.000 0.226 61 S C 0.514 175.046 174.600 -0.114 0.000 1.000 61 S CA 0.361 58.495 58.200 -0.110 0.000 0.948 61 S CB -0.189 62.956 63.200 -0.092 0.000 0.870 61 S HN 0.761 nan 8.310 nan 0.000 0.497 62 T N -0.382 114.119 114.554 -0.087 0.000 2.881 62 T HA 0.638 4.988 4.350 -0.001 0.000 0.290 62 T C -0.673 174.029 174.700 0.005 0.000 1.000 62 T CA -0.692 61.386 62.100 -0.037 0.000 0.978 62 T CB 0.702 69.550 68.868 -0.035 0.000 0.997 62 T HN 0.140 nan 8.240 nan 0.000 0.443 63 Y N 3.173 123.456 120.300 -0.027 0.000 2.652 63 Y HA 0.298 4.848 4.550 -0.001 0.000 0.344 63 Y C -1.404 174.448 175.900 -0.080 0.000 1.254 63 Y CA -1.013 57.078 58.100 -0.017 0.000 1.480 63 Y CB 0.291 38.770 38.460 0.031 0.000 1.345 63 Y HN 0.532 nan 8.280 nan 0.000 0.617 64 P HA 0.080 nan 4.420 nan 0.000 0.279 64 P C -0.771 176.472 177.300 -0.096 0.000 1.282 64 P CA -0.499 62.496 63.100 -0.175 0.000 0.788 64 P CB 0.681 32.169 31.700 -0.354 0.000 1.139 65 N N 0.022 118.624 118.700 -0.163 0.000 2.371 65 N HA 0.102 4.842 4.740 -0.001 0.000 0.243 65 N C 0.354 175.862 175.510 -0.003 0.000 1.287 65 N CA 0.229 53.242 53.050 -0.062 0.000 0.911 65 N CB -0.196 38.264 38.487 -0.046 0.000 1.142 65 N HN 0.389 nan 8.380 nan 0.000 0.451 66 N N -0.755 117.943 118.700 -0.005 0.000 2.478 66 N HA 0.302 5.042 4.740 -0.001 0.000 0.275 66 N C -0.460 175.061 175.510 0.017 0.000 1.221 66 N CA -0.482 52.574 53.050 0.011 0.000 0.979 66 N CB 1.100 39.575 38.487 -0.020 0.000 1.202 66 N HN 0.351 nan 8.380 nan 0.000 0.564 67 c N 0.799 119.416 118.600 0.029 0.000 2.422 67 c HA 0.157 4.727 4.570 -0.001 0.000 0.364 67 c C 0.516 174.613 174.090 0.011 0.000 1.251 67 c CA -0.613 55.728 56.329 0.021 0.000 2.441 67 c CB 0.701 43.248 42.510 0.061 0.000 2.393 67 c HN 0.518 nan 8.230 nan 0.000 0.606 68 Q N 2.023 121.797 119.800 -0.044 0.000 2.311 68 Q HA 0.289 4.629 4.340 -0.001 0.000 0.272 68 Q C -0.169 175.951 176.000 0.199 0.000 1.012 68 Q CA 0.859 56.665 55.803 0.006 0.000 0.891 68 Q CB 0.757 29.359 28.738 -0.226 0.000 1.201 68 Q HN 0.888 nan 8.270 nan 0.000 0.391 69 Q N 1.031 120.966 119.800 0.226 0.000 2.804 69 Q HA 0.270 4.609 4.340 -0.001 0.000 0.302 69 Q C -1.407 174.788 176.000 0.324 0.000 0.885 69 Q CA -0.982 55.002 55.803 0.302 0.000 0.759 69 Q CB 0.615 29.484 28.738 0.219 0.000 1.465 69 Q HN 0.465 nan 8.270 nan 0.000 0.432 70 Y N 1.281 121.770 120.300 0.316 0.000 2.465 70 Y HA 0.421 4.971 4.550 -0.001 0.000 0.331 70 Y C -0.966 175.093 175.900 0.264 0.000 1.102 70 Y CA 0.004 58.307 58.100 0.338 0.000 1.358 70 Y CB 0.880 39.658 38.460 0.530 0.000 1.213 70 Y HN 0.431 nan 8.280 nan 0.000 0.525 71 V N 6.578 126.312 119.914 -0.300 0.000 2.472 71 V HA 0.122 4.241 4.120 -0.001 0.000 0.290 71 V C -0.474 175.413 176.094 -0.344 0.000 1.037 71 V CA -0.898 61.301 62.300 -0.169 0.000 0.908 71 V CB 1.554 33.319 31.823 -0.096 0.000 0.985 71 V HN 0.759 nan 8.190 nan 0.000 0.454 72 D N 2.998 123.402 120.400 0.008 0.000 2.295 72 D HA 0.244 4.883 4.640 -0.001 0.000 0.248 72 D C 0.401 176.782 176.300 0.136 0.000 1.154 72 D CA -0.034 54.055 54.000 0.149 0.000 0.857 72 D CB 0.954 41.980 40.800 0.378 0.000 1.117 72 D HN 0.648 nan 8.370 nan 0.000 0.468 73 E N 2.637 122.885 120.200 0.080 0.000 2.685 73 E HA -0.011 4.339 4.350 -0.001 0.000 0.208 73 E C 0.710 177.334 176.600 0.040 0.000 0.996 73 E CA -0.093 56.344 56.400 0.061 0.000 1.054 73 E CB 0.720 30.416 29.700 -0.006 0.000 1.075 73 E HN 0.462 nan 8.360 nan 0.000 0.460 74 Q N 0.017 119.872 119.800 0.092 0.000 2.119 74 Q HA -0.058 4.282 4.340 -0.001 0.000 0.201 74 Q C -0.101 175.615 176.000 -0.473 0.000 0.972 74 Q CA 1.409 57.082 55.803 -0.216 0.000 0.847 74 Q CB 0.239 28.839 28.738 -0.230 0.000 0.903 74 Q HN 0.169 nan 8.270 nan 0.000 0.433 75 F N 0.778 120.792 119.950 0.107 0.000 2.584 75 F HA 0.443 4.970 4.527 -0.001 0.000 0.328 75 F C -2.196 173.673 175.800 0.114 0.000 1.407 75 F CA -2.728 55.307 58.000 0.058 0.000 1.145 75 F CB 1.049 40.081 39.000 0.053 0.000 1.440 75 F HN -0.075 nan 8.300 nan 0.000 0.580 76 P HA 0.085 nan 4.420 nan 0.000 0.266 76 P C 1.151 178.537 177.300 0.143 0.000 1.186 76 P CA 1.412 64.594 63.100 0.136 0.000 0.767 76 P CB 0.873 32.610 31.700 0.062 0.000 0.820 77 G N 1.986 110.853 108.800 0.112 0.000 2.562 77 G HA2 -0.342 3.618 3.960 -0.001 0.000 0.241 77 G HA3 -0.342 3.618 3.960 -0.001 0.000 0.241 77 G C 0.249 175.224 174.900 0.125 0.000 1.120 77 G CA 0.130 45.280 45.100 0.084 0.000 0.673 77 G HN 0.586 nan 8.290 nan 0.000 0.519 78 F N 3.715 123.656 119.950 -0.016 0.000 2.593 78 F HA 0.364 4.891 4.527 -0.001 0.000 0.393 78 F C 1.847 177.581 175.800 -0.111 0.000 1.037 78 F CA 0.186 58.125 58.000 -0.102 0.000 1.195 78 F CB 0.649 39.573 39.000 -0.128 0.000 1.034 78 F HN 0.373 nan 8.300 nan 0.000 0.552 79 S N 3.682 119.122 115.700 -0.434 0.000 2.382 79 S HA -0.136 4.333 4.470 -0.001 0.000 0.228 79 S C 2.327 176.529 174.600 -0.663 0.000 1.027 79 S CA 0.850 58.766 58.200 -0.473 0.000 0.991 79 S CB -1.342 61.611 63.200 -0.412 0.000 0.823 79 S HN 0.832 nan 8.310 nan 0.000 0.469 80 G N 1.312 109.182 108.800 -1.550 0.000 2.503 80 G HA2 -0.210 3.750 3.960 -0.001 0.000 0.221 80 G HA3 -0.210 3.750 3.960 -0.001 0.000 0.221 80 G C 1.556 176.609 174.900 0.254 0.000 1.131 80 G CA 1.292 45.765 45.100 -1.045 0.000 0.756 80 G HN 0.612 nan 8.290 nan 0.000 0.572 81 S N 0.058 115.926 115.700 0.281 0.000 2.387 81 S HA 0.041 4.511 4.470 -0.001 0.000 0.221 81 S C 2.134 176.994 174.600 0.433 0.000 1.041 81 S CA 0.560 59.184 58.200 0.707 0.000 0.959 81 S CB -0.071 63.577 63.200 0.746 0.000 0.843 81 S HN 0.332 nan 8.310 nan 0.000 0.488 82 E N 1.585 121.897 120.200 0.187 0.000 2.160 82 E HA -0.136 4.214 4.350 -0.001 0.000 0.195 82 E C 1.828 178.380 176.600 -0.080 0.000 0.991 82 E CA 0.567 57.002 56.400 0.058 0.000 0.810 82 E CB -0.403 29.294 29.700 -0.005 0.000 0.742 82 E HN 0.464 nan 8.360 nan 0.000 0.466 83 M N -0.802 118.655 119.600 -0.238 0.000 2.103 83 M HA -0.232 4.248 4.480 -0.001 0.000 0.255 83 M C 1.167 177.086 176.300 -0.635 0.000 1.074 83 M CA 2.030 56.978 55.300 -0.586 0.000 1.090 83 M CB -0.239 31.721 32.600 -1.066 0.000 1.325 83 M HN 0.165 nan 8.290 nan 0.000 0.403 84 W N -0.458 120.799 121.300 -0.072 0.000 3.316 84 W HA 0.228 4.887 4.660 -0.001 0.000 0.327 84 W C 0.307 176.770 176.519 -0.093 0.000 1.232 84 W CA -0.963 56.307 57.345 -0.126 0.000 1.805 84 W CB -0.387 29.032 29.460 -0.068 0.000 1.090 84 W HN 0.038 nan 8.180 nan 0.000 0.654 85 N N 2.106 120.867 118.700 0.103 0.000 2.493 85 N HA 0.210 4.950 4.740 -0.001 0.000 0.275 85 N C -2.284 173.220 175.510 -0.009 0.000 1.186 85 N CA -1.977 51.120 53.050 0.078 0.000 0.978 85 N CB 0.442 38.972 38.487 0.071 0.000 1.184 85 N HN -0.287 nan 8.380 nan 0.000 0.487 86 P HA 0.084 nan 4.420 nan 0.000 0.268 86 P C -0.190 177.072 177.300 -0.063 0.000 1.205 86 P CA 0.032 63.104 63.100 -0.047 0.000 0.771 86 P CB 0.458 32.144 31.700 -0.023 0.000 0.858 87 N N 1.231 119.874 118.700 -0.096 0.000 2.171 87 N HA 0.125 4.865 4.740 -0.001 0.000 0.212 87 N C 0.140 175.593 175.510 -0.095 0.000 1.184 87 N CA -0.156 52.832 53.050 -0.104 0.000 0.888 87 N CB 0.311 38.712 38.487 -0.143 0.000 1.038 87 N HN 0.137 nan 8.380 nan 0.000 0.517 88 R N 0.224 120.677 120.500 -0.080 0.000 2.888 88 R HA 0.352 4.691 4.340 -0.001 0.000 0.266 88 R C -0.815 175.458 176.300 -0.045 0.000 1.020 88 R CA -0.562 55.500 56.100 -0.063 0.000 0.963 88 R CB 1.156 31.419 30.300 -0.061 0.000 1.197 88 R HN 0.188 nan 8.270 nan 0.000 0.481 89 E N 1.828 122.004 120.200 -0.039 0.000 2.442 89 E HA 0.043 4.393 4.350 -0.001 0.000 0.262 89 E C 0.024 176.606 176.600 -0.030 0.000 1.004 89 E CA -0.047 56.334 56.400 -0.032 0.000 0.928 89 E CB 0.078 29.759 29.700 -0.031 0.000 0.937 89 E HN 0.453 nan 8.360 nan 0.000 0.446 90 M N 2.031 121.617 119.600 -0.024 0.000 2.242 90 M HA 0.368 4.848 4.480 -0.001 0.000 0.344 90 M C 0.394 176.670 176.300 -0.040 0.000 1.140 90 M CA 0.010 55.295 55.300 -0.023 0.000 1.160 90 M CB 1.306 33.901 32.600 -0.008 0.000 1.491 90 M HN 0.713 nan 8.290 nan 0.000 0.459 91 S N 0.103 115.771 115.700 -0.052 0.000 2.550 91 S HA 0.237 4.707 4.470 -0.001 0.000 0.270 91 S C 0.217 174.746 174.600 -0.118 0.000 1.145 91 S CA -0.676 57.480 58.200 -0.072 0.000 0.852 91 S CB 1.692 64.869 63.200 -0.038 0.000 1.119 91 S HN 0.828 nan 8.310 nan 0.000 0.465 92 E N 0.936 121.029 120.200 -0.178 0.000 2.106 92 E HA -0.105 4.245 4.350 -0.001 0.000 0.192 92 E C -0.096 176.421 176.600 -0.138 0.000 0.984 92 E CA 0.734 56.979 56.400 -0.257 0.000 0.806 92 E CB 0.036 29.544 29.700 -0.320 0.000 0.750 92 E HN 0.617 nan 8.360 nan 0.000 0.458 93 D N 0.301 120.659 120.400 -0.070 0.000 2.346 93 D HA -0.054 4.586 4.640 -0.001 0.000 0.267 93 D C -0.067 176.292 176.300 0.098 0.000 1.320 93 D CA -0.021 53.982 54.000 0.006 0.000 0.951 93 D CB 0.170 41.000 40.800 0.050 0.000 1.079 93 D HN 0.167 nan 8.370 nan 0.000 0.509 94 c N 2.971 121.626 118.600 0.091 0.000 3.855 94 c HA 0.341 4.911 4.570 -0.001 0.000 0.293 94 c C 0.360 174.574 174.090 0.206 0.000 2.137 94 c CA -0.771 55.678 56.329 0.201 0.000 1.620 94 c CB -1.345 41.219 42.510 0.091 0.000 3.244 94 c HN 0.463 nan 8.230 nan 0.000 0.501 95 L N 2.554 123.686 121.223 -0.153 0.000 2.334 95 L HA 0.511 4.851 4.340 -0.001 0.000 0.286 95 L C -0.779 175.478 176.870 -1.023 0.000 1.108 95 L CA 0.505 55.003 54.840 -0.571 0.000 0.875 95 L CB -0.218 41.334 42.059 -0.844 0.000 1.246 95 L HN 0.363 nan 8.230 nan 0.000 0.439 96 Y N 2.293 122.479 120.300 -0.189 0.000 2.655 96 Y HA 0.608 5.158 4.550 -0.000 0.000 0.336 96 Y C -0.350 175.719 175.900 0.283 0.000 1.154 96 Y CA -0.796 57.292 58.100 -0.021 0.000 1.055 96 Y CB 1.835 40.293 38.460 -0.003 0.000 1.295 96 Y HN 0.192 nan 8.280 nan 0.000 0.465 97 L N 0.816 122.227 121.223 0.314 0.000 2.279 97 L HA 0.609 4.949 4.340 -0.001 0.000 0.262 97 L C -1.206 175.737 176.870 0.121 0.000 1.019 97 L CA -0.724 54.232 54.840 0.194 0.000 0.823 97 L CB 1.986 44.025 42.059 -0.033 0.000 1.358 97 L HN 0.610 nan 8.230 nan 0.000 0.432 98 N N 0.555 119.306 118.700 0.085 0.000 2.310 98 N HA 0.708 5.447 4.740 -0.001 0.000 0.292 98 N C -1.616 173.773 175.510 -0.202 0.000 1.049 98 N CA -0.445 52.521 53.050 -0.140 0.000 0.849 98 N CB 2.204 40.631 38.487 -0.100 0.000 1.532 98 N HN 0.334 nan 8.380 nan 0.000 0.479 99 I N 0.621 120.963 120.570 -0.379 0.000 2.533 99 I HA 0.417 4.587 4.170 -0.001 0.000 0.290 99 I C -0.910 175.061 176.117 -0.244 0.000 1.056 99 I CA -0.663 60.543 61.300 -0.156 0.000 1.057 99 I CB 1.920 39.798 38.000 -0.204 0.000 1.240 99 I HN 0.339 nan 8.210 nan 0.000 0.423 100 W N 5.893 127.285 121.300 0.152 0.000 2.411 100 W HA 0.568 5.228 4.660 -0.001 0.000 0.317 100 W C -0.920 175.701 176.519 0.170 0.000 1.030 100 W CA -0.553 56.876 57.345 0.140 0.000 1.239 100 W CB 2.139 31.659 29.460 0.100 0.000 1.304 100 W HN 0.113 nan 8.180 nan 0.000 0.437 101 V N 4.833 124.962 119.914 0.358 0.000 2.769 101 V HA 0.394 4.514 4.120 -0.001 0.000 0.312 101 V C -1.944 174.307 176.094 0.261 0.000 1.058 101 V CA -2.395 60.101 62.300 0.326 0.000 0.952 101 V CB 1.817 33.891 31.823 0.418 0.000 1.019 101 V HN 0.251 nan 8.190 nan 0.000 0.445 102 P HA 0.235 nan 4.420 nan 0.000 0.271 102 P C -0.778 176.611 177.300 0.149 0.000 1.244 102 P CA -0.141 63.048 63.100 0.148 0.000 0.793 102 P CB 0.445 32.196 31.700 0.084 0.000 0.984 103 S N 0.840 116.609 115.700 0.115 0.000 2.707 103 S HA 0.453 4.923 4.470 -0.001 0.000 0.303 103 S C -2.492 172.151 174.600 0.072 0.000 1.132 103 S CA -0.915 57.345 58.200 0.101 0.000 1.046 103 S CB 0.415 63.673 63.200 0.096 0.000 1.004 103 S HN 0.325 nan 8.310 nan 0.000 0.483 104 P HA 0.146 nan 4.420 nan 0.000 0.266 104 P C -0.115 177.235 177.300 0.083 0.000 1.195 104 P CA -0.416 62.724 63.100 0.067 0.000 0.768 104 P CB 0.408 32.137 31.700 0.048 0.000 0.838 105 R N 4.013 124.575 120.500 0.104 0.000 2.538 105 R HA 0.090 4.430 4.340 -0.001 0.000 0.282 105 R C -2.000 174.354 176.300 0.089 0.000 1.009 105 R CA -0.991 55.184 56.100 0.125 0.000 1.063 105 R CB -0.188 30.192 30.300 0.133 0.000 0.945 105 R HN 0.365 nan 8.270 nan 0.000 0.414 106 P HA 0.105 nan 4.420 nan 0.000 0.276 106 P C -0.339 176.991 177.300 0.049 0.000 1.261 106 P CA -0.472 62.662 63.100 0.058 0.000 0.800 106 P CB 0.756 32.489 31.700 0.055 0.000 1.066 107 K N -0.249 120.169 120.400 0.029 0.000 2.007 107 K HA 0.098 4.418 4.320 -0.001 0.000 0.206 107 K C 0.304 176.910 176.600 0.009 0.000 1.047 107 K CA 1.354 57.651 56.287 0.017 0.000 0.937 107 K CB -0.557 31.947 32.500 0.006 0.000 0.718 107 K HN 0.399 nan 8.250 nan 0.000 0.438 108 S N -0.146 115.558 115.700 0.007 0.000 2.599 108 S HA 0.201 4.670 4.470 -0.001 0.000 0.269 108 S C -0.791 173.810 174.600 0.002 0.000 1.135 108 S CA -0.638 57.560 58.200 -0.004 0.000 1.027 108 S CB 2.008 65.194 63.200 -0.024 0.000 1.129 108 S HN 0.172 nan 8.310 nan 0.000 0.458 109 T N 1.467 116.029 114.554 0.014 0.000 2.773 109 T HA 0.657 5.007 4.350 -0.001 0.000 0.278 109 T C -0.215 174.491 174.700 0.010 0.000 1.011 109 T CA -0.341 61.766 62.100 0.012 0.000 1.014 109 T CB 1.126 70.010 68.868 0.026 0.000 1.293 109 T HN 0.488 nan 8.240 nan 0.000 0.554 110 T N 1.560 116.115 114.554 0.001 0.000 2.926 110 T HA 0.498 4.847 4.350 -0.001 0.000 0.307 110 T C -0.376 174.337 174.700 0.021 0.000 1.059 110 T CA -0.468 61.629 62.100 -0.005 0.000 1.122 110 T CB 0.611 69.461 68.868 -0.030 0.000 0.972 110 T HN 0.408 nan 8.240 nan 0.000 0.545 111 V N 3.425 123.357 119.914 0.030 0.000 2.680 111 V HA 0.562 4.681 4.120 -0.001 0.000 0.309 111 V C -0.230 175.901 176.094 0.062 0.000 1.052 111 V CA -0.911 61.428 62.300 0.065 0.000 0.908 111 V CB 1.882 33.753 31.823 0.081 0.000 1.001 111 V HN 0.828 nan 8.190 nan 0.000 0.431 112 M N 3.871 123.525 119.600 0.089 0.000 2.263 112 M HA 0.564 5.043 4.480 -0.001 0.000 0.295 112 M C -1.407 175.078 176.300 0.307 0.000 1.028 112 M CA -0.639 54.709 55.300 0.080 0.000 0.921 112 M CB 2.169 34.664 32.600 -0.175 0.000 1.601 112 M HN 0.353 nan 8.290 nan 0.000 0.440 113 V N 2.660 122.812 119.914 0.396 0.000 2.398 113 V HA 0.369 4.489 4.120 -0.001 0.000 0.286 113 V C -0.764 175.709 176.094 0.631 0.000 1.026 113 V CA -0.573 61.984 62.300 0.428 0.000 0.868 113 V CB 1.892 33.844 31.823 0.215 0.000 0.982 113 V HN 0.913 nan 8.190 nan 0.000 0.443 114 W N 7.125 128.652 121.300 0.379 0.000 2.291 114 W HA 0.578 5.238 4.660 -0.000 0.000 0.312 114 W C -1.279 175.207 176.519 -0.054 0.000 1.061 114 W CA -0.860 56.472 57.345 -0.022 0.000 1.296 114 W CB 1.123 30.607 29.460 0.040 0.000 1.223 114 W HN 0.477 nan 8.180 nan 0.000 0.421 115 I N 9.068 129.172 120.570 -0.776 0.000 2.304 115 I HA 0.066 4.236 4.170 -0.001 0.000 0.291 115 I C 0.086 175.410 176.117 -1.323 0.000 1.018 115 I CA -1.014 59.815 61.300 -0.785 0.000 1.260 115 I CB 0.334 37.994 38.000 -0.567 0.000 1.390 115 I HN 0.303 nan 8.210 nan 0.000 0.475 116 Y N 4.815 124.563 120.300 -0.919 0.000 2.314 116 Y HA 0.745 5.295 4.550 -0.000 0.000 0.334 116 Y C 0.630 176.326 175.900 -0.340 0.000 1.266 116 Y CA -0.978 56.643 58.100 -0.798 0.000 1.391 116 Y CB 0.106 38.400 38.460 -0.276 0.000 1.306 116 Y HN 0.521 nan 8.280 nan 0.000 0.558 117 G N -1.146 107.659 108.800 0.008 0.000 2.887 117 G HA2 0.539 4.498 3.960 -0.001 0.000 0.277 117 G HA3 0.539 4.498 3.960 -0.001 0.000 0.277 117 G C -0.131 174.778 174.900 0.016 0.000 1.346 117 G CA -1.012 44.053 45.100 -0.057 0.000 1.058 117 G HN 1.618 nan 8.290 nan 0.000 0.535 118 G N -2.436 106.211 108.800 -0.255 0.000 2.812 118 G HA2 0.451 4.410 3.960 -0.001 0.000 0.232 118 G HA3 0.451 4.410 3.960 -0.001 0.000 0.232 118 G C 0.921 175.320 174.900 -0.834 0.000 2.283 118 G CA 0.689 45.505 45.100 -0.473 0.000 0.929 118 G HN 2.219 nan 8.290 nan 0.000 0.471 119 G N -0.110 108.196 108.800 -0.823 0.000 2.225 119 G HA2 -0.185 3.775 3.960 -0.001 0.000 0.272 119 G HA3 -0.185 3.775 3.960 -0.001 0.000 0.272 119 G C 0.994 175.568 174.900 -0.544 0.000 0.996 119 G CA 1.006 45.411 45.100 -1.158 0.000 0.710 119 G HN 1.813 nan 8.290 nan 0.000 0.522 120 F N -3.642 116.094 119.950 -0.355 0.000 2.794 120 F HA -0.298 4.229 4.527 -0.001 0.000 0.335 120 F C 1.422 177.149 175.800 -0.122 0.000 0.653 120 F CA 2.007 59.866 58.000 -0.235 0.000 1.266 120 F CB -2.051 36.701 39.000 -0.413 0.000 1.666 120 F HN 0.831 nan 8.300 nan 0.000 0.314 121 Y N -1.413 118.875 120.300 -0.019 0.000 2.426 121 Y HA 0.667 5.217 4.550 -0.001 0.000 0.249 121 Y C 0.681 176.646 175.900 0.109 0.000 1.103 121 Y CA 0.319 58.440 58.100 0.035 0.000 1.256 121 Y CB -0.038 38.377 38.460 -0.075 0.000 1.208 121 Y HN 0.059 nan 8.280 nan 0.000 0.519 122 S N -0.759 114.698 115.700 -0.405 0.000 2.752 122 S HA 0.903 5.372 4.470 -0.001 0.000 0.284 122 S C -0.147 174.341 174.600 -0.187 0.000 1.189 122 S CA -0.580 57.493 58.200 -0.212 0.000 0.835 122 S CB 1.525 64.531 63.200 -0.324 0.000 1.192 122 S HN 1.269 nan 8.310 nan 0.000 0.506 123 G N -0.464 108.228 108.800 -0.179 0.000 2.428 123 G HA2 0.445 4.404 3.960 -0.001 0.000 0.681 123 G HA3 0.445 4.404 3.960 -0.001 0.000 0.681 123 G C -1.020 173.414 174.900 -0.777 0.000 1.340 123 G CA -0.286 44.582 45.100 -0.387 0.000 0.915 123 G HN 1.574 nan 8.290 nan 0.000 0.645 124 S N -0.988 114.068 115.700 -1.073 0.000 2.565 124 S HA 0.720 5.190 4.470 -0.001 0.000 0.269 124 S C 0.848 175.257 174.600 -0.319 0.000 1.153 124 S CA -0.004 57.816 58.200 -0.634 0.000 0.835 124 S CB 1.751 64.828 63.200 -0.205 0.000 1.122 124 S HN 1.335 nan 8.310 nan 0.000 0.462 125 S N 1.191 116.956 115.700 0.108 0.000 2.371 125 S HA -0.079 4.391 4.470 -0.001 0.000 0.221 125 S C 2.072 176.928 174.600 0.427 0.000 1.036 125 S CA 1.305 59.783 58.200 0.464 0.000 0.965 125 S CB -0.728 62.786 63.200 0.523 0.000 0.845 125 S HN 0.979 nan 8.310 nan 0.000 0.475 126 T N 1.494 116.158 114.554 0.184 0.000 3.155 126 T HA 0.137 4.487 4.350 -0.001 0.000 0.264 126 T C 0.635 175.181 174.700 -0.256 0.000 1.160 126 T CA 0.101 62.101 62.100 -0.167 0.000 1.075 126 T CB -0.971 67.709 68.868 -0.314 0.000 0.921 126 T HN 0.188 nan 8.240 nan 0.000 0.533 127 L N 1.638 122.794 121.223 -0.113 0.000 2.492 127 L HA 0.105 4.444 4.340 -0.001 0.000 0.280 127 L C 1.425 178.118 176.870 -0.294 0.000 1.240 127 L CA -0.384 54.272 54.840 -0.308 0.000 0.831 127 L CB 0.269 41.930 42.059 -0.664 0.000 1.100 127 L HN 0.091 nan 8.230 nan 0.000 0.505 128 D N 0.745 120.947 120.400 -0.331 0.000 2.149 128 D HA -0.103 4.536 4.640 -0.001 0.000 0.201 128 D C 1.916 178.045 176.300 -0.285 0.000 0.972 128 D CA 1.088 54.947 54.000 -0.234 0.000 0.835 128 D CB 0.012 40.688 40.800 -0.206 0.000 0.966 128 D HN 0.499 nan 8.370 nan 0.000 0.476 129 V N -1.197 118.411 119.914 -0.510 0.000 3.444 129 V HA -0.108 4.012 4.120 -0.001 0.000 0.271 129 V C 0.728 176.477 176.094 -0.574 0.000 1.188 129 V CA 0.813 62.787 62.300 -0.543 0.000 1.168 129 V CB -1.188 30.211 31.823 -0.705 0.000 0.810 129 V HN 0.038 nan 8.190 nan 0.000 0.500 130 Y N 0.243 120.229 120.300 -0.523 0.000 2.720 130 Y HA 0.455 5.004 4.550 -0.000 0.000 0.277 130 Y C 0.897 176.613 175.900 -0.307 0.000 1.144 130 Y CA -1.920 55.668 58.100 -0.854 0.000 1.221 130 Y CB -0.819 37.370 38.460 -0.452 0.000 1.163 130 Y HN 0.239 nan 8.280 nan 0.000 0.537 131 N N 1.252 119.948 118.700 -0.006 0.000 2.416 131 N HA 0.019 4.759 4.740 -0.001 0.000 0.265 131 N C 1.340 176.685 175.510 -0.275 0.000 1.195 131 N CA 0.505 53.515 53.050 -0.066 0.000 0.943 131 N CB 1.324 39.864 38.487 0.089 0.000 1.115 131 N HN 0.537 nan 8.380 nan 0.000 0.481 132 G N 3.354 111.425 108.800 -1.216 0.000 2.598 132 G HA2 -0.231 3.729 3.960 -0.001 0.000 0.215 132 G HA3 -0.231 3.729 3.960 -0.001 0.000 0.215 132 G C 1.450 175.805 174.900 -0.909 0.000 1.131 132 G CA 0.610 45.062 45.100 -1.081 0.000 0.785 132 G HN 0.751 nan 8.290 nan 0.000 0.539 133 K N -0.339 119.352 120.400 -1.182 0.000 2.152 133 K HA -0.158 4.161 4.320 -0.001 0.000 0.206 133 K C 1.800 178.199 176.600 -0.334 0.000 1.048 133 K CA 1.353 57.280 56.287 -0.600 0.000 0.933 133 K CB -0.545 31.633 32.500 -0.536 0.000 0.721 133 K HN 0.376 nan 8.250 nan 0.000 0.447 134 Y N 0.531 120.731 120.300 -0.167 0.000 2.314 134 Y HA -0.046 4.503 4.550 -0.001 0.000 0.293 134 Y C 2.169 178.061 175.900 -0.012 0.000 1.129 134 Y CA 0.321 58.381 58.100 -0.067 0.000 1.201 134 Y CB -0.246 38.149 38.460 -0.108 0.000 0.999 134 Y HN 0.030 nan 8.280 nan 0.000 0.541 135 L N 0.153 121.387 121.223 0.019 0.000 2.068 135 L HA 0.026 4.366 4.340 -0.001 0.000 0.204 135 L C 2.416 179.293 176.870 0.013 0.000 1.076 135 L CA 1.706 56.520 54.840 -0.043 0.000 0.753 135 L CB -1.234 40.685 42.059 -0.233 0.000 0.910 135 L HN 0.130 nan 8.230 nan 0.000 0.439 136 A N -1.118 121.718 122.820 0.026 0.000 1.873 136 A HA -0.334 3.986 4.320 -0.001 0.000 0.218 136 A C 2.319 179.957 177.584 0.090 0.000 1.193 136 A CA 2.182 54.274 52.037 0.092 0.000 0.629 136 A CB -1.311 17.801 19.000 0.187 0.000 0.826 136 A HN 0.600 nan 8.150 nan 0.000 0.447 137 Y N 0.964 121.272 120.300 0.013 0.000 2.049 137 Y HA -0.229 4.321 4.550 -0.001 0.000 0.277 137 Y C 2.770 178.686 175.900 0.027 0.000 1.143 137 Y CA 2.717 60.828 58.100 0.018 0.000 1.115 137 Y CB -0.885 37.566 38.460 -0.016 0.000 0.975 137 Y HN 0.296 nan 8.280 nan 0.000 0.487 138 T N 0.595 115.237 114.554 0.147 0.000 2.684 138 T HA -0.155 4.194 4.350 -0.001 0.000 0.267 138 T C 1.323 176.008 174.700 -0.026 0.000 1.036 138 T CA 1.786 63.912 62.100 0.043 0.000 1.148 138 T CB -0.192 68.778 68.868 0.169 0.000 0.863 138 T HN 0.385 nan 8.240 nan 0.000 0.436 139 E N 0.629 120.835 120.200 0.010 0.000 2.474 139 E HA 0.084 4.434 4.350 -0.001 0.000 0.195 139 E C 0.239 176.833 176.600 -0.011 0.000 1.039 139 E CA 0.063 56.472 56.400 0.015 0.000 0.881 139 E CB 0.052 29.768 29.700 0.027 0.000 0.970 139 E HN 0.624 nan 8.360 nan 0.000 0.486 140 E N -0.347 119.832 120.200 -0.034 0.000 2.791 140 E HA -0.171 4.179 4.350 -0.001 0.000 0.271 140 E C 0.173 176.783 176.600 0.017 0.000 1.044 140 E CA 0.547 56.935 56.400 -0.020 0.000 0.814 140 E CB -2.203 27.480 29.700 -0.028 0.000 1.400 140 E HN 0.188 nan 8.360 nan 0.000 0.423 141 V N -2.569 117.363 119.914 0.030 0.000 2.975 141 V HA 0.747 4.866 4.120 -0.001 0.000 0.318 141 V C 0.834 176.984 176.094 0.094 0.000 1.077 141 V CA -0.514 61.811 62.300 0.042 0.000 1.000 141 V CB 1.853 33.683 31.823 0.012 0.000 1.066 141 V HN 0.192 nan 8.190 nan 0.000 0.452 142 V N 1.511 121.492 119.914 0.111 0.000 2.785 142 V HA 0.770 4.890 4.120 -0.001 0.000 0.300 142 V C -0.390 175.816 176.094 0.188 0.000 1.062 142 V CA -0.548 61.853 62.300 0.169 0.000 1.029 142 V CB 1.261 33.182 31.823 0.163 0.000 1.024 142 V HN 1.015 nan 8.190 nan 0.000 0.477 143 L N 4.774 126.172 121.223 0.292 0.000 2.409 143 L HA 0.822 5.162 4.340 -0.001 0.000 0.272 143 L C -0.589 176.569 176.870 0.479 0.000 0.980 143 L CA -0.520 54.536 54.840 0.360 0.000 0.826 143 L CB 1.901 44.171 42.059 0.352 0.000 1.268 143 L HN 0.965 nan 8.230 nan 0.000 0.407 144 V N 1.750 121.926 119.914 0.437 0.000 2.769 144 V HA 0.781 4.901 4.120 -0.001 0.000 0.312 144 V C -0.678 175.731 176.094 0.525 0.000 1.061 144 V CA -0.098 62.439 62.300 0.396 0.000 0.931 144 V CB 2.286 34.234 31.823 0.207 0.000 1.010 144 V HN 0.769 nan 8.190 nan 0.000 0.433 145 S N 5.169 121.202 115.700 0.555 0.000 2.503 145 S HA 0.874 5.344 4.470 -0.001 0.000 0.301 145 S C -0.687 174.176 174.600 0.439 0.000 1.087 145 S CA -0.615 57.956 58.200 0.618 0.000 1.042 145 S CB 1.366 65.020 63.200 0.758 0.000 1.043 145 S HN 1.148 nan 8.310 nan 0.000 0.489 146 L N -0.087 121.350 121.223 0.356 0.000 2.301 146 L HA 0.869 5.209 4.340 -0.001 0.000 0.264 146 L C -0.074 177.064 176.870 0.448 0.000 1.016 146 L CA -0.651 54.374 54.840 0.309 0.000 0.821 146 L CB 0.959 43.074 42.059 0.093 0.000 1.346 146 L HN 0.418 nan 8.230 nan 0.000 0.429 147 S N -0.178 115.842 115.700 0.533 0.000 2.651 147 S HA 0.853 5.323 4.470 -0.001 0.000 0.291 147 S C -1.274 173.654 174.600 0.547 0.000 1.141 147 S CA -0.314 58.231 58.200 0.575 0.000 1.027 147 S CB 1.081 64.552 63.200 0.451 0.000 1.043 147 S HN 0.746 nan 8.310 nan 0.000 0.530 148 Y N -1.188 119.279 120.300 0.278 0.000 2.552 148 Y HA 0.589 5.139 4.550 -0.001 0.000 0.337 148 Y C -0.811 175.229 175.900 0.234 0.000 1.094 148 Y CA -1.420 56.802 58.100 0.204 0.000 1.028 148 Y CB 0.576 39.098 38.460 0.104 0.000 1.321 148 Y HN 0.427 nan 8.280 nan 0.000 0.456 149 R N 2.324 122.964 120.500 0.234 0.000 2.401 149 R HA 0.506 4.846 4.340 -0.001 0.000 0.299 149 R C -0.284 176.158 176.300 0.236 0.000 1.064 149 R CA -0.345 55.846 56.100 0.153 0.000 1.000 149 R CB 0.797 31.163 30.300 0.110 0.000 0.973 149 R HN 0.686 nan 8.270 nan 0.000 0.438 150 V N 0.187 120.249 119.914 0.247 0.000 3.096 150 V HA 0.908 5.028 4.120 -0.001 0.000 0.319 150 V C 0.769 177.131 176.094 0.447 0.000 1.103 150 V CA -0.053 62.495 62.300 0.413 0.000 1.016 150 V CB 1.307 33.242 31.823 0.188 0.000 1.090 150 V HN 0.987 nan 8.190 nan 0.000 0.449 151 G N 0.984 110.074 108.800 0.482 0.000 2.593 151 G HA2 0.113 4.072 3.960 -0.001 0.000 0.237 151 G HA3 0.113 4.072 3.960 -0.001 0.000 0.237 151 G C 0.868 175.847 174.900 0.131 0.000 1.312 151 G CA 0.525 45.814 45.100 0.315 0.000 0.896 151 G HN 2.080 nan 8.290 nan 0.000 0.574 152 A N -1.179 121.439 122.820 -0.335 0.000 1.908 152 A HA 0.177 4.497 4.320 -0.001 0.000 0.218 152 A C 2.246 179.615 177.584 -0.358 0.000 1.181 152 A CA 2.797 54.277 52.037 -0.928 0.000 0.627 152 A CB -0.574 17.807 19.000 -1.031 0.000 0.818 152 A HN 1.085 nan 8.150 nan 0.000 0.445 153 F N 0.066 120.064 119.950 0.081 0.000 2.269 153 F HA 0.028 4.555 4.527 -0.001 0.000 0.301 153 F C 2.467 178.306 175.800 0.065 0.000 1.082 153 F CA 0.904 58.950 58.000 0.078 0.000 1.360 153 F CB -0.802 38.173 39.000 -0.042 0.000 1.041 153 F HN 0.277 nan 8.300 nan 0.000 0.512 154 G N -2.164 106.769 108.800 0.221 0.000 2.719 154 G HA2 0.028 3.988 3.960 -0.001 0.000 0.211 154 G HA3 0.028 3.988 3.960 -0.001 0.000 0.211 154 G C 0.615 175.243 174.900 -0.454 0.000 1.140 154 G CA 0.114 45.192 45.100 -0.037 0.000 0.790 154 G HN 0.317 nan 8.290 nan 0.000 0.529 155 F N -0.123 119.861 119.950 0.057 0.000 2.811 155 F HA 0.475 5.001 4.527 -0.001 0.000 0.342 155 F C 0.330 176.121 175.800 -0.015 0.000 1.203 155 F CA -1.017 57.000 58.000 0.028 0.000 1.173 155 F CB 0.291 39.317 39.000 0.044 0.000 1.094 155 F HN -0.112 nan 8.300 nan 0.000 0.510 156 L N 1.322 122.512 121.223 -0.055 0.000 2.473 156 L HA 0.551 4.891 4.340 -0.001 0.000 0.265 156 L C 0.532 177.370 176.870 -0.053 0.000 1.243 156 L CA 0.324 55.043 54.840 -0.200 0.000 0.822 156 L CB 0.826 42.572 42.059 -0.521 0.000 1.101 156 L HN 0.228 nan 8.230 nan 0.000 0.507 157 A N 3.777 126.573 122.820 -0.039 0.000 3.208 157 A HA 0.296 4.616 4.320 -0.001 0.000 0.252 157 A C -0.897 176.708 177.584 0.034 0.000 1.225 157 A CA -0.532 51.516 52.037 0.018 0.000 0.980 157 A CB -0.539 18.496 19.000 0.058 0.000 1.414 157 A HN 0.473 nan 8.150 nan 0.000 0.721 158 L N 2.648 123.867 121.223 -0.006 0.000 2.448 158 L HA 0.091 4.430 4.340 -0.001 0.000 0.278 158 L C 1.841 178.756 176.870 0.075 0.000 1.201 158 L CA -0.458 54.392 54.840 0.017 0.000 1.036 158 L CB -0.412 41.624 42.059 -0.037 0.000 1.325 158 L HN 0.858 nan 8.230 nan 0.000 0.441 159 H N 3.894 122.960 119.070 -0.007 0.000 2.291 159 H HA -0.275 4.281 4.556 -0.001 0.000 0.275 159 H C 1.851 177.185 175.328 0.010 0.000 1.115 159 H CA 2.235 58.286 56.048 0.006 0.000 1.200 159 H CB -0.046 29.722 29.762 0.010 0.000 1.444 159 H HN 0.615 nan 8.280 nan 0.000 0.576 160 G N -1.114 107.556 108.800 -0.216 0.000 2.956 160 G HA2 0.238 4.197 3.960 -0.001 0.000 0.207 160 G HA3 0.238 4.197 3.960 -0.001 0.000 0.207 160 G C 0.401 175.224 174.900 -0.128 0.000 1.162 160 G CA 0.529 45.464 45.100 -0.276 0.000 0.796 160 G HN 0.819 nan 8.290 nan 0.000 0.527 161 S N 0.225 115.884 115.700 -0.068 0.000 2.422 161 S HA 0.469 4.938 4.470 -0.001 0.000 0.298 161 S C 0.993 175.586 174.600 -0.011 0.000 1.118 161 S CA -0.644 57.539 58.200 -0.029 0.000 1.083 161 S CB 0.678 63.871 63.200 -0.012 0.000 0.971 161 S HN 0.175 nan 8.310 nan 0.000 0.478 162 Q N 1.116 120.912 119.800 -0.006 0.000 2.508 162 Q HA -0.064 4.276 4.340 -0.001 0.000 0.214 162 Q C 0.998 177.020 176.000 0.038 0.000 0.979 162 Q CA 0.944 56.756 55.803 0.015 0.000 0.911 162 Q CB 0.142 28.888 28.738 0.014 0.000 0.969 162 Q HN 0.785 nan 8.270 nan 0.000 0.504 163 E N -0.066 120.159 120.200 0.041 0.000 2.299 163 E HA 0.105 4.454 4.350 -0.001 0.000 0.193 163 E C 0.090 176.757 176.600 0.112 0.000 0.998 163 E CA 0.794 57.240 56.400 0.076 0.000 0.851 163 E CB 0.440 30.187 29.700 0.078 0.000 0.795 163 E HN 0.254 nan 8.360 nan 0.000 0.492 164 A N 2.066 124.922 122.820 0.060 0.000 3.422 164 A HA 0.313 4.633 4.320 -0.001 0.000 0.271 164 A C -2.714 174.880 177.584 0.017 0.000 1.104 164 A CA -1.023 51.038 52.037 0.040 0.000 0.899 164 A CB 0.546 19.463 19.000 -0.138 0.000 1.309 164 A HN -0.122 nan 8.150 nan 0.000 0.580 165 P HA 0.445 nan 4.420 nan 0.000 0.278 165 P C 0.753 178.092 177.300 0.065 0.000 1.266 165 P CA 0.187 63.333 63.100 0.076 0.000 0.807 165 P CB 1.078 32.826 31.700 0.079 0.000 1.094 166 G N 0.247 109.102 108.800 0.091 0.000 2.588 166 G HA2 0.117 4.077 3.960 -0.001 0.000 0.278 166 G HA3 0.117 4.077 3.960 -0.001 0.000 0.278 166 G C 0.122 175.002 174.900 -0.034 0.000 1.307 166 G CA -0.548 44.572 45.100 0.033 0.000 1.016 166 G HN 0.634 nan 8.290 nan 0.000 0.503 167 N N -1.817 116.817 118.700 -0.110 0.000 2.708 167 N HA -0.232 4.508 4.740 -0.001 0.000 0.251 167 N C 1.675 176.986 175.510 -0.333 0.000 1.123 167 N CA 1.096 53.978 53.050 -0.280 0.000 0.739 167 N CB -1.684 36.592 38.487 -0.352 0.000 1.113 167 N HN 0.902 nan 8.380 nan 0.000 0.561 168 V N -2.580 117.180 119.914 -0.256 0.000 2.568 168 V HA -0.095 4.025 4.120 -0.001 0.000 0.253 168 V C 2.225 178.196 176.094 -0.204 0.000 1.072 168 V CA 2.365 64.573 62.300 -0.154 0.000 1.084 168 V CB -0.896 30.895 31.823 -0.054 0.000 0.676 168 V HN 0.320 nan 8.190 nan 0.000 0.469 169 G N -0.333 108.168 108.800 -0.498 0.000 2.484 169 G HA2 -0.101 3.858 3.960 -0.001 0.000 0.218 169 G HA3 -0.101 3.858 3.960 -0.001 0.000 0.218 169 G C 1.369 176.239 174.900 -0.050 0.000 1.130 169 G CA 0.825 45.750 45.100 -0.293 0.000 0.784 169 G HN 0.463 nan 8.290 nan 0.000 0.543 170 L N 0.390 121.489 121.223 -0.206 0.000 2.109 170 L HA 0.239 4.579 4.340 -0.001 0.000 0.207 170 L C 2.728 179.660 176.870 0.103 0.000 1.086 170 L CA 1.083 55.873 54.840 -0.084 0.000 0.760 170 L CB -0.457 41.356 42.059 -0.408 0.000 0.910 170 L HN 0.167 nan 8.230 nan 0.000 0.437 171 L N -1.077 120.201 121.223 0.091 0.000 2.093 171 L HA -0.207 4.132 4.340 -0.001 0.000 0.208 171 L C 1.989 178.967 176.870 0.180 0.000 1.085 171 L CA 1.151 56.116 54.840 0.208 0.000 0.755 171 L CB -0.677 41.478 42.059 0.160 0.000 0.904 171 L HN 0.231 nan 8.230 nan 0.000 0.435 172 D N -0.277 120.224 120.400 0.168 0.000 2.158 172 D HA -0.228 4.412 4.640 -0.001 0.000 0.197 172 D C 2.308 178.745 176.300 0.229 0.000 0.995 172 D CA 1.146 55.311 54.000 0.276 0.000 0.846 172 D CB -0.038 40.953 40.800 0.320 0.000 0.941 172 D HN 0.385 nan 8.370 nan 0.000 0.456 173 Q N 0.006 119.889 119.800 0.137 0.000 2.020 173 Q HA -0.166 4.174 4.340 -0.001 0.000 0.202 173 Q C 2.294 178.268 176.000 -0.043 0.000 0.982 173 Q CA 0.962 56.776 55.803 0.018 0.000 0.838 173 Q CB -0.169 28.598 28.738 0.048 0.000 0.899 173 Q HN 0.232 nan 8.270 nan 0.000 0.423 174 R N 0.710 121.253 120.500 0.070 0.000 2.091 174 R HA -0.166 4.174 4.340 -0.001 0.000 0.238 174 R C 2.216 178.488 176.300 -0.045 0.000 1.136 174 R CA 1.616 57.697 56.100 -0.032 0.000 0.959 174 R CB -0.214 30.148 30.300 0.102 0.000 0.856 174 R HN 0.301 nan 8.270 nan 0.000 0.437 175 M N -0.121 119.490 119.600 0.018 0.000 2.175 175 M HA -0.098 4.382 4.480 -0.001 0.000 0.264 175 M C 2.067 178.249 176.300 -0.197 0.000 1.063 175 M CA 1.885 57.204 55.300 0.031 0.000 1.119 175 M CB -0.017 32.702 32.600 0.199 0.000 1.377 175 M HN 0.289 nan 8.290 nan 0.000 0.415 176 A N -0.032 122.441 122.820 -0.579 0.000 2.015 176 A HA -0.105 4.215 4.320 -0.001 0.000 0.219 176 A C 1.801 179.195 177.584 -0.317 0.000 1.163 176 A CA 1.071 52.530 52.037 -0.964 0.000 0.646 176 A CB -0.599 17.766 19.000 -1.059 0.000 0.806 176 A HN 0.482 nan 8.150 nan 0.000 0.448 177 L N -0.700 120.407 121.223 -0.193 0.000 2.109 177 L HA -0.107 4.232 4.340 -0.001 0.000 0.207 177 L C 2.566 179.443 176.870 0.012 0.000 1.086 177 L CA 2.198 56.987 54.840 -0.085 0.000 0.760 177 L CB -1.061 40.910 42.059 -0.147 0.000 0.910 177 L HN 0.609 nan 8.230 nan 0.000 0.437 178 Q N -1.467 118.339 119.800 0.011 0.000 2.020 178 Q HA -0.280 4.060 4.340 -0.001 0.000 0.202 178 Q C 2.239 178.355 176.000 0.194 0.000 0.982 178 Q CA 2.115 57.965 55.803 0.079 0.000 0.838 178 Q CB -0.624 28.149 28.738 0.060 0.000 0.899 178 Q HN 0.461 nan 8.270 nan 0.000 0.423 179 W N -0.496 120.794 121.300 -0.017 0.000 2.350 179 W HA -0.172 4.488 4.660 -0.001 0.000 0.289 179 W C 1.748 178.286 176.519 0.032 0.000 1.215 179 W CA 1.437 58.797 57.345 0.024 0.000 1.236 179 W CB 0.018 29.493 29.460 0.024 0.000 1.130 179 W HN 0.048 nan 8.180 nan 0.000 0.541 180 V N -0.461 119.687 119.914 0.390 0.000 2.358 180 V HA -0.366 3.753 4.120 -0.001 0.000 0.246 180 V C 2.437 178.624 176.094 0.155 0.000 1.047 180 V CA 2.301 64.777 62.300 0.293 0.000 1.035 180 V CB -1.291 30.645 31.823 0.188 0.000 0.658 180 V HN 0.340 nan 8.190 nan 0.000 0.452 181 H N 0.432 119.512 119.070 0.017 0.000 2.251 181 H HA -0.225 4.331 4.556 -0.001 0.000 0.294 181 H C 2.164 177.414 175.328 -0.130 0.000 1.078 181 H CA 2.285 58.305 56.048 -0.047 0.000 1.246 181 H CB 0.019 29.759 29.762 -0.036 0.000 1.358 181 H HN 0.395 nan 8.280 nan 0.000 0.488 182 D N -0.027 120.319 120.400 -0.091 0.000 2.144 182 D HA -0.104 4.536 4.640 -0.001 0.000 0.199 182 D C 1.277 177.318 176.300 -0.431 0.000 0.984 182 D CA 1.037 54.872 54.000 -0.274 0.000 0.834 182 D CB -0.186 40.507 40.800 -0.178 0.000 0.955 182 D HN 0.452 nan 8.370 nan 0.000 0.465 183 N N -0.388 118.020 118.700 -0.487 0.000 2.171 183 N HA 0.053 4.793 4.740 -0.001 0.000 0.212 183 N C 1.278 176.640 175.510 -0.246 0.000 1.184 183 N CA -0.136 52.583 53.050 -0.551 0.000 0.888 183 N CB 1.092 38.991 38.487 -0.980 0.000 1.038 183 N HN 0.061 nan 8.380 nan 0.000 0.517 184 I N 2.744 123.246 120.570 -0.114 0.000 2.614 184 I HA -0.235 3.934 4.170 -0.001 0.000 0.258 184 I C 2.532 178.669 176.117 0.033 0.000 1.189 184 I CA 1.244 62.614 61.300 0.117 0.000 1.462 184 I CB -0.076 37.970 38.000 0.076 0.000 1.092 184 I HN 0.172 nan 8.210 nan 0.000 0.442 185 Q N -0.517 119.099 119.800 -0.306 0.000 2.135 185 Q HA -0.243 4.096 4.340 -0.001 0.000 0.204 185 Q C 1.692 177.485 176.000 -0.345 0.000 0.981 185 Q CA 1.814 57.379 55.803 -0.396 0.000 0.856 185 Q CB -0.941 27.417 28.738 -0.633 0.000 0.902 185 Q HN 0.429 nan 8.270 nan 0.000 0.425 186 F N -0.457 119.395 119.950 -0.164 0.000 2.802 186 F HA 0.155 4.682 4.527 -0.001 0.000 0.300 186 F C 0.687 176.215 175.800 -0.454 0.000 1.168 186 F CA 0.033 57.829 58.000 -0.339 0.000 1.433 186 F CB -0.104 38.591 39.000 -0.508 0.000 1.115 186 F HN -0.002 nan 8.300 nan 0.000 0.582 187 F N -0.867 119.084 119.950 0.003 0.000 2.682 187 F HA 0.456 4.983 4.527 -0.001 0.000 0.308 187 F C 1.760 177.572 175.800 0.020 0.000 1.093 187 F CA 0.238 58.229 58.000 -0.015 0.000 1.244 187 F CB 0.292 39.273 39.000 -0.032 0.000 1.052 187 F HN 0.014 nan 8.300 nan 0.000 0.573 188 G N 0.295 109.178 108.800 0.139 0.000 2.176 188 G HA2 -0.157 3.803 3.960 -0.001 0.000 0.232 188 G HA3 -0.157 3.803 3.960 -0.001 0.000 0.232 188 G C 0.575 175.522 174.900 0.077 0.000 0.986 188 G CA -0.307 44.851 45.100 0.096 0.000 0.643 188 G HN 0.710 nan 8.290 nan 0.000 0.522 189 G N -0.554 108.297 108.800 0.085 0.000 2.462 189 G HA2 0.511 4.471 3.960 -0.001 0.000 0.319 189 G HA3 0.511 4.471 3.960 -0.001 0.000 0.319 189 G C -0.944 173.951 174.900 -0.007 0.000 1.171 189 G CA 0.292 45.423 45.100 0.051 0.000 0.920 189 G HN 0.274 nan 8.290 nan 0.000 0.499 190 D N 0.836 121.231 120.400 -0.008 0.000 2.443 190 D HA 0.345 4.984 4.640 -0.001 0.000 0.221 190 D C -1.508 174.772 176.300 -0.032 0.000 1.097 190 D CA -2.391 51.588 54.000 -0.035 0.000 0.865 190 D CB 1.842 42.627 40.800 -0.026 0.000 1.034 190 D HN -0.045 nan 8.370 nan 0.000 0.511 191 P HA -0.106 nan 4.420 nan 0.000 0.223 191 P C 0.686 178.003 177.300 0.027 0.000 1.144 191 P CA 0.741 63.824 63.100 -0.028 0.000 0.783 191 P CB 0.268 31.863 31.700 -0.175 0.000 0.771 192 K N -1.125 119.267 120.400 -0.013 0.000 2.487 192 K HA 0.140 4.460 4.320 -0.001 0.000 0.192 192 K C 0.202 176.795 176.600 -0.012 0.000 1.027 192 K CA 0.588 56.871 56.287 -0.007 0.000 1.054 192 K CB -0.476 32.006 32.500 -0.030 0.000 0.824 192 K HN 0.117 nan 8.250 nan 0.000 0.510 193 T N 0.320 114.873 114.554 -0.002 0.000 3.816 193 T HA 0.131 4.481 4.350 -0.001 0.000 0.232 193 T C -0.946 173.762 174.700 0.014 0.000 1.125 193 T CA -0.403 61.689 62.100 -0.013 0.000 1.609 193 T CB 0.735 69.581 68.868 -0.037 0.000 0.805 193 T HN -0.146 nan 8.240 nan 0.000 0.647 194 V N 1.949 121.897 119.914 0.056 0.000 2.435 194 V HA 0.697 4.817 4.120 -0.001 0.000 0.290 194 V C -0.447 175.728 176.094 0.136 0.000 1.030 194 V CA 0.061 62.418 62.300 0.096 0.000 0.881 194 V CB 1.726 33.624 31.823 0.126 0.000 0.983 194 V HN 0.601 nan 8.190 nan 0.000 0.445 195 T N 8.119 122.746 114.554 0.121 0.000 2.779 195 T HA 0.523 4.872 4.350 -0.001 0.000 0.280 195 T C -0.202 174.614 174.700 0.194 0.000 0.987 195 T CA -0.126 62.070 62.100 0.160 0.000 0.966 195 T CB 0.816 69.730 68.868 0.077 0.000 0.933 195 T HN 0.726 nan 8.240 nan 0.000 0.442 196 I N 2.057 122.725 120.570 0.162 0.000 2.331 196 I HA 0.760 4.930 4.170 -0.001 0.000 0.292 196 I C -0.556 175.711 176.117 0.250 0.000 0.998 196 I CA -0.892 60.478 61.300 0.117 0.000 1.267 196 I CB 0.397 38.273 38.000 -0.208 0.000 1.386 196 I HN 0.414 nan 8.210 nan 0.000 0.476 197 F N 3.928 123.934 119.950 0.093 0.000 2.598 197 F HA 1.054 5.580 4.527 -0.001 0.000 0.327 197 F C -0.107 175.678 175.800 -0.025 0.000 1.057 197 F CA -1.840 56.257 58.000 0.161 0.000 0.957 197 F CB 1.344 40.572 39.000 0.381 0.000 1.278 197 F HN 0.831 nan 8.300 nan 0.000 0.484 198 G N 0.829 109.533 108.800 -0.161 0.000 2.404 198 G HA2 0.395 4.355 3.960 -0.001 0.000 0.298 198 G HA3 0.395 4.355 3.960 -0.001 0.000 0.298 198 G C -2.516 172.201 174.900 -0.304 0.000 1.577 198 G CA -0.892 43.782 45.100 -0.709 0.000 0.847 198 G HN 0.889 nan 8.290 nan 0.000 0.598 199 E N 0.617 120.607 120.200 -0.351 0.000 2.221 199 E HA 0.683 5.033 4.350 -0.001 0.000 0.268 199 E C 0.812 177.357 176.600 -0.093 0.000 0.933 199 E CA 0.465 56.828 56.400 -0.061 0.000 0.809 199 E CB 2.127 31.893 29.700 0.110 0.000 1.190 199 E HN 1.121 nan 8.360 nan 0.000 0.406 200 S N 2.374 118.067 115.700 -0.011 0.000 4.059 200 S HA -0.378 4.092 4.470 -0.001 0.000 0.624 200 S C 1.317 176.002 174.600 0.142 0.000 2.019 200 S CA 1.637 59.905 58.200 0.114 0.000 4.197 200 S CB -1.581 61.657 63.200 0.064 0.000 0.215 200 S HN 0.900 nan 8.310 nan 0.000 0.609 201 A N 1.057 123.857 122.820 -0.032 0.000 2.178 201 A HA 0.271 4.591 4.320 -0.001 0.000 0.218 201 A C 2.298 179.634 177.584 -0.415 0.000 1.157 201 A CA 2.063 53.913 52.037 -0.312 0.000 0.689 201 A CB -1.418 16.988 19.000 -0.989 0.000 0.787 201 A HN 1.534 nan 8.150 nan 0.000 0.465 202 G N -0.584 108.022 108.800 -0.323 0.000 2.411 202 G HA2 0.147 4.107 3.960 -0.001 0.000 0.213 202 G HA3 0.147 4.107 3.960 -0.001 0.000 0.213 202 G C 1.426 176.147 174.900 -0.299 0.000 1.166 202 G CA 0.914 45.769 45.100 -0.410 0.000 0.802 202 G HN 0.609 nan 8.290 nan 0.000 0.533 203 G N 0.666 109.348 108.800 -0.196 0.000 2.534 203 G HA2 0.188 4.147 3.960 -0.001 0.000 0.217 203 G HA3 0.188 4.147 3.960 -0.001 0.000 0.217 203 G C 1.744 176.552 174.900 -0.153 0.000 1.128 203 G CA 1.307 46.332 45.100 -0.125 0.000 0.784 203 G HN 0.594 nan 8.290 nan 0.000 0.542 204 A N 0.296 123.035 122.820 -0.135 0.000 2.030 204 A HA 0.281 4.600 4.320 -0.001 0.000 0.215 204 A C 2.573 180.084 177.584 -0.122 0.000 1.164 204 A CA 1.584 53.515 52.037 -0.177 0.000 0.697 204 A CB -0.144 18.743 19.000 -0.189 0.000 0.827 204 A HN 0.234 nan 8.150 nan 0.000 0.457 205 S N -0.196 115.434 115.700 -0.116 0.000 2.371 205 S HA -0.106 4.364 4.470 -0.001 0.000 0.224 205 S C 1.920 176.393 174.600 -0.211 0.000 1.029 205 S CA 1.275 59.399 58.200 -0.126 0.000 0.978 205 S CB -0.395 62.670 63.200 -0.224 0.000 0.833 205 S HN 0.316 nan 8.310 nan 0.000 0.466 206 V N 1.893 121.702 119.914 -0.175 0.000 2.231 206 V HA -0.252 3.868 4.120 -0.001 0.000 0.250 206 V C 2.651 178.688 176.094 -0.096 0.000 1.058 206 V CA 2.212 64.431 62.300 -0.134 0.000 1.022 206 V CB -1.517 30.230 31.823 -0.128 0.000 0.640 206 V HN 0.602 nan 8.190 nan 0.000 0.445 207 G N -1.201 107.518 108.800 -0.135 0.000 2.450 207 G HA2 -0.289 3.670 3.960 -0.001 0.000 0.220 207 G HA3 -0.289 3.670 3.960 -0.001 0.000 0.220 207 G C 1.574 176.483 174.900 0.015 0.000 1.130 207 G CA 1.267 46.307 45.100 -0.100 0.000 0.760 207 G HN 0.463 nan 8.290 nan 0.000 0.557 208 M N -0.298 119.297 119.600 -0.007 0.000 2.065 208 M HA -0.102 4.377 4.480 -0.001 0.000 0.259 208 M C 2.313 178.692 176.300 0.131 0.000 1.069 208 M CA 1.789 57.187 55.300 0.164 0.000 1.110 208 M CB -0.655 32.099 32.600 0.257 0.000 1.328 208 M HN 0.343 nan 8.290 nan 0.000 0.405 209 H N 0.024 119.163 119.070 0.116 0.000 2.390 209 H HA -0.122 4.434 4.556 -0.001 0.000 0.298 209 H C 2.056 177.524 175.328 0.233 0.000 1.106 209 H CA 1.482 57.579 56.048 0.082 0.000 1.297 209 H CB -0.214 29.498 29.762 -0.082 0.000 1.375 209 H HN 0.336 nan 8.280 nan 0.000 0.509 210 I N 0.068 120.870 120.570 0.386 0.000 2.335 210 I HA -0.262 3.907 4.170 -0.001 0.000 0.251 210 I C 1.468 177.799 176.117 0.357 0.000 1.129 210 I CA 0.902 62.484 61.300 0.470 0.000 1.402 210 I CB -0.027 38.192 38.000 0.364 0.000 1.069 210 I HN 0.211 nan 8.210 nan 0.000 0.424 211 L N -0.337 121.058 121.223 0.286 0.000 2.209 211 L HA 0.036 4.375 4.340 -0.001 0.000 0.207 211 L C 1.224 178.162 176.870 0.113 0.000 1.094 211 L CA 0.943 55.941 54.840 0.264 0.000 0.790 211 L CB -0.488 41.753 42.059 0.305 0.000 0.932 211 L HN -0.007 nan 8.230 nan 0.000 0.447 212 S N 0.840 116.521 115.700 -0.031 0.000 2.531 212 S HA 0.114 4.584 4.470 -0.001 0.000 0.279 212 S C -1.515 172.975 174.600 -0.183 0.000 1.305 212 S CA -0.889 57.144 58.200 -0.279 0.000 1.058 212 S CB 0.878 63.563 63.200 -0.858 0.000 0.899 212 S HN 0.004 nan 8.310 nan 0.000 0.493 213 P HA -0.144 nan 4.420 nan 0.000 0.216 213 P C 1.596 178.815 177.300 -0.136 0.000 1.157 213 P CA 1.310 64.339 63.100 -0.118 0.000 0.880 213 P CB -0.137 31.503 31.700 -0.102 0.000 0.791 214 G N -1.520 107.156 108.800 -0.206 0.000 2.534 214 G HA2 -0.136 3.823 3.960 -0.001 0.000 0.217 214 G HA3 -0.136 3.823 3.960 -0.001 0.000 0.217 214 G C 1.423 176.228 174.900 -0.159 0.000 1.128 214 G CA 0.638 45.627 45.100 -0.185 0.000 0.784 214 G HN 0.251 nan 8.290 nan 0.000 0.542 215 S N -0.198 115.416 115.700 -0.143 0.000 2.492 215 S HA 0.099 4.569 4.470 -0.001 0.000 0.218 215 S C 2.170 176.803 174.600 0.055 0.000 1.016 215 S CA -0.221 57.958 58.200 -0.036 0.000 0.916 215 S CB 0.179 63.418 63.200 0.065 0.000 0.791 215 S HN 0.269 nan 8.310 nan 0.000 0.513 216 R N 2.098 122.606 120.500 0.014 0.000 2.154 216 R HA -0.115 4.224 4.340 -0.001 0.000 0.248 216 R C 1.081 177.186 176.300 -0.325 0.000 1.155 216 R CA 1.724 57.755 56.100 -0.116 0.000 0.979 216 R CB -0.341 29.908 30.300 -0.086 0.000 0.869 216 R HN 0.311 nan 8.270 nan 0.000 0.452 217 D N -0.113 120.158 120.400 -0.214 0.000 2.317 217 D HA -0.044 4.596 4.640 -0.001 0.000 0.211 217 D C 1.400 177.517 176.300 -0.304 0.000 0.966 217 D CA 0.705 54.553 54.000 -0.253 0.000 0.876 217 D CB 0.043 40.732 40.800 -0.185 0.000 0.927 217 D HN 0.247 nan 8.370 nan 0.000 0.519 218 L N -0.006 121.077 121.223 -0.233 0.000 2.622 218 L HA 0.059 4.398 4.340 -0.001 0.000 0.233 218 L C 0.248 177.117 176.870 -0.001 0.000 1.156 218 L CA 0.198 54.922 54.840 -0.192 0.000 0.866 218 L CB -0.346 41.654 42.059 -0.098 0.000 0.980 218 L HN -0.015 nan 8.230 nan 0.000 0.448 219 F N -4.377 115.513 119.950 -0.101 0.000 2.692 219 F HA 0.604 5.131 4.527 -0.001 0.000 0.320 219 F C 0.581 176.375 175.800 -0.011 0.000 1.123 219 F CA -1.381 56.597 58.000 -0.037 0.000 0.961 219 F CB 1.152 40.136 39.000 -0.026 0.000 1.383 219 F HN -0.451 nan 8.300 nan 0.000 0.483 220 R N 0.431 120.961 120.500 0.051 0.000 2.051 220 R HA 0.428 4.768 4.340 -0.001 0.000 0.218 220 R C 0.036 176.338 176.300 0.004 0.000 1.188 220 R CA 1.155 57.225 56.100 -0.050 0.000 0.992 220 R CB 0.170 30.460 30.300 -0.017 0.000 0.883 220 R HN 0.851 nan 8.270 nan 0.000 0.444 221 R N -1.339 119.276 120.500 0.191 0.000 2.922 221 R HA 0.831 5.171 4.340 -0.001 0.000 0.256 221 R C -1.479 175.078 176.300 0.429 0.000 1.138 221 R CA -0.877 55.378 56.100 0.259 0.000 0.995 221 R CB 1.514 31.836 30.300 0.038 0.000 1.226 221 R HN 0.125 nan 8.270 nan 0.000 0.481 222 A N 0.605 123.669 122.820 0.407 0.000 2.556 222 A HA 0.733 5.052 4.320 -0.001 0.000 0.294 222 A C -1.224 176.520 177.584 0.267 0.000 1.091 222 A CA -0.975 51.242 52.037 0.301 0.000 0.704 222 A CB 1.559 20.692 19.000 0.223 0.000 1.300 222 A HN 0.624 nan 8.150 nan 0.000 0.406 223 I N 1.217 121.902 120.570 0.192 0.000 2.468 223 I HA 0.360 4.530 4.170 -0.001 0.000 0.285 223 I C -1.503 174.712 176.117 0.163 0.000 1.039 223 I CA -0.445 60.914 61.300 0.099 0.000 1.074 223 I CB 1.721 39.775 38.000 0.089 0.000 1.228 223 I HN 0.381 nan 8.210 nan 0.000 0.436 224 L N 6.645 127.935 121.223 0.113 0.000 2.313 224 L HA 0.465 4.804 4.340 -0.001 0.000 0.283 224 L C -0.314 176.656 176.870 0.166 0.000 1.013 224 L CA -0.216 54.673 54.840 0.083 0.000 0.816 224 L CB 1.448 43.496 42.059 -0.019 0.000 1.236 224 L HN 0.499 nan 8.230 nan 0.000 0.419 225 Q N 2.110 122.024 119.800 0.190 0.000 2.357 225 Q HA 0.466 4.805 4.340 -0.001 0.000 0.266 225 Q C -0.279 175.792 176.000 0.118 0.000 1.021 225 Q CA -0.545 55.417 55.803 0.265 0.000 0.784 225 Q CB 1.469 30.449 28.738 0.403 0.000 1.243 225 Q HN 0.679 nan 8.270 nan 0.000 0.465 226 S N 0.661 116.409 115.700 0.080 0.000 3.706 226 S HA -0.146 4.323 4.470 -0.001 0.000 0.363 226 S C 0.043 174.732 174.600 0.148 0.000 0.999 226 S CA 0.443 58.692 58.200 0.082 0.000 1.143 226 S CB -1.337 61.858 63.200 -0.009 0.000 0.902 226 S HN 0.986 nan 8.310 nan 0.000 0.476 227 G N -0.687 108.150 108.800 0.061 0.000 2.667 227 G HA2 0.629 4.589 3.960 -0.001 0.000 0.294 227 G HA3 0.629 4.589 3.960 -0.001 0.000 0.294 227 G C -1.115 173.667 174.900 -0.197 0.000 1.467 227 G CA -0.080 45.043 45.100 0.037 0.000 0.852 227 G HN 0.538 nan 8.290 nan 0.000 0.521 228 S N 0.648 116.135 115.700 -0.354 0.000 2.607 228 S HA 0.701 5.171 4.470 -0.001 0.000 0.273 228 S C -2.189 172.058 174.600 -0.587 0.000 1.148 228 S CA -1.085 56.741 58.200 -0.623 0.000 0.833 228 S CB 2.994 65.842 63.200 -0.587 0.000 1.130 228 S HN 0.420 nan 8.310 nan 0.000 0.470 229 P HA -0.007 nan 4.420 nan 0.000 0.225 229 P C 0.447 177.507 177.300 -0.400 0.000 1.156 229 P CA 0.832 63.701 63.100 -0.385 0.000 0.787 229 P CB -0.225 31.341 31.700 -0.222 0.000 0.802 230 N N -0.658 117.806 118.700 -0.392 0.000 2.346 230 N HA 0.005 4.745 4.740 -0.001 0.000 0.225 230 N C -0.580 174.661 175.510 -0.448 0.000 1.144 230 N CA -0.266 52.584 53.050 -0.333 0.000 0.837 230 N CB -1.219 37.184 38.487 -0.140 0.000 1.069 230 N HN -0.023 nan 8.380 nan 0.000 0.487 231 C N 1.650 120.547 119.300 -0.671 0.000 2.452 231 C HA 0.276 4.736 4.460 -0.001 0.000 0.379 231 C C -0.653 173.764 174.990 -0.955 0.000 1.275 231 C CA -0.998 57.500 59.018 -0.865 0.000 2.056 231 C CB 1.446 28.436 27.740 -1.251 0.000 2.506 231 C HN 0.255 nan 8.230 nan 0.000 0.560 232 P HA -0.155 nan 4.420 nan 0.000 0.218 232 P C 1.450 178.556 177.300 -0.324 0.000 1.152 232 P CA 1.781 64.619 63.100 -0.436 0.000 0.857 232 P CB -0.134 31.378 31.700 -0.313 0.000 0.787 233 W N -1.363 119.791 121.300 -0.242 0.000 2.678 233 W HA 0.377 5.036 4.660 -0.000 0.000 0.256 233 W C 1.250 177.790 176.519 0.035 0.000 1.280 233 W CA 0.609 57.889 57.345 -0.108 0.000 1.345 233 W CB -1.458 27.960 29.460 -0.070 0.000 1.118 233 W HN -0.091 nan 8.180 nan 0.000 0.629 234 A N 1.232 123.783 122.820 -0.448 0.000 2.251 234 A HA 0.250 4.570 4.320 -0.001 0.000 0.209 234 A C 0.602 177.989 177.584 -0.328 0.000 1.187 234 A CA 0.640 52.519 52.037 -0.262 0.000 0.823 234 A CB -0.633 18.039 19.000 -0.546 0.000 0.846 234 A HN 0.162 nan 8.150 nan 0.000 0.486 235 S N -1.006 114.508 115.700 -0.310 0.000 2.537 235 S HA 0.625 5.094 4.470 -0.001 0.000 0.270 235 S C -0.637 173.812 174.600 -0.251 0.000 1.142 235 S CA -0.178 57.819 58.200 -0.338 0.000 0.870 235 S CB 1.386 64.323 63.200 -0.438 0.000 1.112 235 S HN 1.054 nan 8.310 nan 0.000 0.466 236 V N -0.703 119.079 119.914 -0.219 0.000 3.113 236 V HA 0.949 5.069 4.120 -0.001 0.000 0.316 236 V C 0.238 176.232 176.094 -0.167 0.000 1.125 236 V CA -0.771 61.429 62.300 -0.167 0.000 1.026 236 V CB 1.280 33.030 31.823 -0.123 0.000 1.080 236 V HN 1.203 nan 8.190 nan 0.000 0.444 237 S N 0.562 116.178 115.700 -0.139 0.000 2.661 237 S HA 0.411 4.881 4.470 -0.001 0.000 0.265 237 S C 1.036 175.563 174.600 -0.121 0.000 1.225 237 S CA 0.011 58.132 58.200 -0.132 0.000 0.986 237 S CB 1.216 64.352 63.200 -0.106 0.000 1.008 237 S HN 0.920 nan 8.310 nan 0.000 0.565 238 V N 1.124 120.955 119.914 -0.138 0.000 2.343 238 V HA -0.149 3.971 4.120 -0.001 0.000 0.247 238 V C 2.890 178.940 176.094 -0.073 0.000 1.051 238 V CA 2.196 64.403 62.300 -0.156 0.000 1.036 238 V CB -1.872 29.802 31.823 -0.248 0.000 0.654 238 V HN 0.980 nan 8.190 nan 0.000 0.451 239 A N 0.360 123.145 122.820 -0.058 0.000 1.851 239 A HA -0.290 4.030 4.320 -0.001 0.000 0.216 239 A C 2.225 179.791 177.584 -0.031 0.000 1.195 239 A CA 2.175 54.194 52.037 -0.030 0.000 0.622 239 A CB -0.661 18.319 19.000 -0.033 0.000 0.831 239 A HN 0.551 nan 8.150 nan 0.000 0.444 240 E N -0.046 120.124 120.200 -0.049 0.000 2.160 240 E HA -0.091 4.259 4.350 -0.001 0.000 0.195 240 E C 1.854 178.429 176.600 -0.042 0.000 0.991 240 E CA 1.592 57.960 56.400 -0.053 0.000 0.810 240 E CB -0.721 28.935 29.700 -0.073 0.000 0.742 240 E HN 0.451 nan 8.360 nan 0.000 0.466 241 G N 0.029 108.809 108.800 -0.033 0.000 2.443 241 G HA2 -0.287 3.673 3.960 -0.001 0.000 0.219 241 G HA3 -0.287 3.673 3.960 -0.001 0.000 0.219 241 G C 1.695 176.614 174.900 0.032 0.000 1.131 241 G CA 0.690 45.795 45.100 0.009 0.000 0.775 241 G HN 0.270 nan 8.290 nan 0.000 0.547 242 R N -0.032 120.477 120.500 0.015 0.000 2.057 242 R HA 0.061 4.401 4.340 -0.001 0.000 0.229 242 R C 2.605 178.913 176.300 0.013 0.000 1.136 242 R CA 0.915 57.028 56.100 0.020 0.000 0.952 242 R CB -0.367 29.947 30.300 0.023 0.000 0.848 242 R HN 0.092 nan 8.270 nan 0.000 0.430 243 R N 1.188 121.688 120.500 0.000 0.000 2.133 243 R HA -0.188 4.151 4.340 -0.001 0.000 0.245 243 R C 2.072 178.368 176.300 -0.007 0.000 1.137 243 R CA 2.333 58.428 56.100 -0.008 0.000 0.947 243 R CB -0.440 29.846 30.300 -0.022 0.000 0.865 243 R HN 0.357 nan 8.270 nan 0.000 0.437 244 R N -0.563 119.928 120.500 -0.015 0.000 2.148 244 R HA -0.035 4.305 4.340 -0.001 0.000 0.227 244 R C 2.146 178.498 176.300 0.087 0.000 1.103 244 R CA 1.216 57.301 56.100 -0.024 0.000 0.983 244 R CB -0.236 29.970 30.300 -0.157 0.000 0.874 244 R HN 0.249 nan 8.270 nan 0.000 0.451 245 A N 0.835 123.714 122.820 0.098 0.000 2.123 245 A HA -0.012 4.308 4.320 -0.001 0.000 0.214 245 A C 2.204 179.801 177.584 0.022 0.000 1.152 245 A CA 0.696 52.777 52.037 0.074 0.000 0.728 245 A CB -0.081 18.917 19.000 -0.004 0.000 0.814 245 A HN 0.184 nan 8.150 nan 0.000 0.464 246 V N -2.350 117.574 119.914 0.016 0.000 2.649 246 V HA -0.053 4.066 4.120 -0.001 0.000 0.248 246 V C 2.132 178.235 176.094 0.016 0.000 1.054 246 V CA 1.833 64.138 62.300 0.008 0.000 1.073 246 V CB -0.816 31.010 31.823 0.005 0.000 0.699 246 V HN 0.366 nan 8.190 nan 0.000 0.463 247 E N 1.098 121.309 120.200 0.018 0.000 2.110 247 E HA -0.182 4.168 4.350 -0.001 0.000 0.193 247 E C 1.949 178.570 176.600 0.035 0.000 0.988 247 E CA 1.706 58.117 56.400 0.018 0.000 0.804 247 E CB -0.502 29.198 29.700 0.000 0.000 0.745 247 E HN 0.682 nan 8.360 nan 0.000 0.458 248 L N -0.938 120.323 121.223 0.064 0.000 2.217 248 L HA 0.077 4.416 4.340 -0.001 0.000 0.211 248 L C 2.043 178.939 176.870 0.043 0.000 1.107 248 L CA 1.703 56.594 54.840 0.086 0.000 0.783 248 L CB -0.452 41.724 42.059 0.194 0.000 0.919 248 L HN 0.209 nan 8.230 nan 0.000 0.442 249 G N -0.268 108.546 108.800 0.024 0.000 2.422 249 G HA2 -0.223 3.737 3.960 -0.001 0.000 0.218 249 G HA3 -0.223 3.737 3.960 -0.001 0.000 0.218 249 G C 1.664 176.573 174.900 0.015 0.000 1.146 249 G CA 0.706 45.811 45.100 0.008 0.000 0.769 249 G HN 0.387 nan 8.290 nan 0.000 0.547 250 R N 0.235 120.747 120.500 0.020 0.000 2.073 250 R HA 0.040 4.380 4.340 -0.001 0.000 0.229 250 R C 2.126 178.442 176.300 0.027 0.000 1.120 250 R CA 0.915 57.027 56.100 0.021 0.000 0.967 250 R CB -0.444 29.867 30.300 0.019 0.000 0.862 250 R HN 0.365 nan 8.270 nan 0.000 0.436 251 N N 0.820 119.541 118.700 0.035 0.000 2.585 251 N HA -0.104 4.636 4.740 -0.001 0.000 0.188 251 N C 1.083 176.617 175.510 0.041 0.000 1.102 251 N CA 0.744 53.819 53.050 0.042 0.000 0.920 251 N CB 0.120 38.640 38.487 0.056 0.000 0.963 251 N HN 0.223 nan 8.380 nan 0.000 0.447 252 L N -0.536 120.707 121.223 0.034 0.000 2.766 252 L HA 0.184 4.524 4.340 -0.001 0.000 0.242 252 L C 0.023 176.906 176.870 0.022 0.000 1.136 252 L CA -0.177 54.682 54.840 0.031 0.000 0.933 252 L CB 0.113 42.192 42.059 0.033 0.000 1.241 252 L HN -0.020 nan 8.230 nan 0.000 0.522 253 N N -0.311 118.401 118.700 0.021 0.000 2.783 253 N HA -0.164 4.575 4.740 -0.001 0.000 0.247 253 N C -0.288 175.229 175.510 0.012 0.000 1.089 253 N CA 0.272 53.332 53.050 0.017 0.000 0.690 253 N CB -1.458 37.040 38.487 0.018 0.000 0.991 253 N HN 0.240 nan 8.380 nan 0.000 0.552 254 c N 0.241 118.847 118.600 0.010 0.000 2.480 254 c HA 0.356 4.926 4.570 -0.001 0.000 0.358 254 c C 1.130 175.226 174.090 0.010 0.000 1.309 254 c CA -0.921 55.411 56.329 0.005 0.000 2.465 254 c CB 0.871 43.381 42.510 -0.001 0.000 2.379 254 c HN 0.532 nan 8.230 nan 0.000 0.642 255 N N 1.029 119.737 118.700 0.014 0.000 2.430 255 N HA 0.170 4.910 4.740 -0.001 0.000 0.265 255 N C -0.388 175.133 175.510 0.018 0.000 1.100 255 N CA -0.058 53.005 53.050 0.021 0.000 0.961 255 N CB 0.708 39.214 38.487 0.032 0.000 1.075 255 N HN 0.499 nan 8.380 nan 0.000 0.478 256 L N 3.479 124.711 121.223 0.015 0.000 2.741 256 L HA 0.192 4.531 4.340 -0.001 0.000 0.237 256 L C 1.918 178.796 176.870 0.013 0.000 1.178 256 L CA 0.142 54.989 54.840 0.012 0.000 0.973 256 L CB -0.637 41.428 42.059 0.010 0.000 1.255 256 L HN 0.694 nan 8.230 nan 0.000 0.498 257 N N -1.103 117.607 118.700 0.016 0.000 2.288 257 N HA 0.004 4.744 4.740 -0.001 0.000 0.199 257 N C 0.939 176.459 175.510 0.015 0.000 1.043 257 N CA 0.874 53.933 53.050 0.015 0.000 0.947 257 N CB -0.457 38.039 38.487 0.017 0.000 1.140 257 N HN 0.245 nan 8.380 nan 0.000 0.490 258 S N 1.444 117.156 115.700 0.020 0.000 2.429 258 S HA 0.094 4.564 4.470 -0.001 0.000 0.292 258 S C 0.598 175.211 174.600 0.021 0.000 1.183 258 S CA -0.351 57.861 58.200 0.020 0.000 1.088 258 S CB 0.878 64.093 63.200 0.023 0.000 1.018 258 S HN 0.528 nan 8.310 nan 0.000 0.511 259 D N 3.806 124.214 120.400 0.014 0.000 2.191 259 D HA -0.256 4.383 4.640 -0.001 0.000 0.195 259 D C 2.020 178.329 176.300 0.016 0.000 1.003 259 D CA 2.021 56.026 54.000 0.009 0.000 0.867 259 D CB 0.111 40.912 40.800 0.003 0.000 0.926 259 D HN 0.821 nan 8.370 nan 0.000 0.450 260 E N 0.733 120.948 120.200 0.026 0.000 2.153 260 E HA -0.201 4.149 4.350 -0.001 0.000 0.194 260 E C 1.978 178.627 176.600 0.082 0.000 0.988 260 E CA 1.474 57.900 56.400 0.042 0.000 0.811 260 E CB -0.776 28.942 29.700 0.030 0.000 0.746 260 E HN 0.605 nan 8.360 nan 0.000 0.466 261 E N -0.529 119.718 120.200 0.078 0.000 2.152 261 E HA 0.060 4.410 4.350 -0.001 0.000 0.192 261 E C 2.232 178.880 176.600 0.081 0.000 0.983 261 E CA 0.630 57.097 56.400 0.111 0.000 0.818 261 E CB -0.047 29.701 29.700 0.079 0.000 0.758 261 E HN 0.520 nan 8.360 nan 0.000 0.467 262 L N 1.031 122.278 121.223 0.040 0.000 1.994 262 L HA -0.199 4.141 4.340 -0.001 0.000 0.208 262 L C 2.143 179.015 176.870 0.002 0.000 1.071 262 L CA 0.965 55.809 54.840 0.006 0.000 0.745 262 L CB -0.084 41.965 42.059 -0.016 0.000 0.892 262 L HN 0.166 nan 8.230 nan 0.000 0.431 263 I N -0.496 120.084 120.570 0.016 0.000 2.264 263 I HA -0.353 3.816 4.170 -0.001 0.000 0.248 263 I C 2.485 178.699 176.117 0.162 0.000 1.111 263 I CA 1.658 62.982 61.300 0.040 0.000 1.382 263 I CB -1.716 36.316 38.000 0.054 0.000 1.060 263 I HN 0.530 nan 8.210 nan 0.000 0.418 264 H N -0.115 118.992 119.070 0.061 0.000 2.333 264 H HA -0.192 4.363 4.556 -0.001 0.000 0.302 264 H C 2.563 177.941 175.328 0.084 0.000 1.075 264 H CA 1.893 57.987 56.048 0.076 0.000 1.348 264 H CB 0.223 30.015 29.762 0.051 0.000 1.393 264 H HN 0.373 nan 8.280 nan 0.000 0.509 265 c N 1.255 119.765 118.600 -0.149 0.000 2.393 265 c HA -0.168 4.402 4.570 -0.001 0.000 0.276 265 c C 2.940 176.976 174.090 -0.090 0.000 1.215 265 c CA 1.219 57.432 56.329 -0.193 0.000 1.743 265 c CB -1.396 41.074 42.510 -0.067 0.000 2.044 265 c HN 0.598 nan 8.230 nan 0.000 0.464 266 L N 0.173 121.406 121.223 0.018 0.000 2.131 266 L HA -0.103 4.237 4.340 -0.001 0.000 0.210 266 L C 2.937 179.943 176.870 0.228 0.000 1.092 266 L CA 1.344 56.259 54.840 0.125 0.000 0.759 266 L CB -0.811 41.323 42.059 0.124 0.000 0.903 266 L HN 0.359 nan 8.230 nan 0.000 0.435 267 R N -0.177 120.463 120.500 0.234 0.000 2.285 267 R HA -0.091 4.248 4.340 -0.001 0.000 0.213 267 R C 1.761 178.106 176.300 0.074 0.000 1.068 267 R CA 0.843 57.064 56.100 0.201 0.000 1.004 267 R CB 0.015 30.469 30.300 0.256 0.000 0.873 267 R HN 0.352 nan 8.270 nan 0.000 0.467 268 E N -0.131 120.057 120.200 -0.020 0.000 2.431 268 E HA 0.066 4.416 4.350 -0.001 0.000 0.200 268 E C 0.031 176.631 176.600 -0.000 0.000 0.995 268 E CA 0.100 56.475 56.400 -0.043 0.000 0.915 268 E CB 0.331 29.939 29.700 -0.152 0.000 0.930 268 E HN 0.136 nan 8.360 nan 0.000 0.496 269 K N 1.373 121.791 120.400 0.030 0.000 2.258 269 K HA 0.234 4.554 4.320 -0.001 0.000 0.264 269 K C 0.219 176.866 176.600 0.080 0.000 1.007 269 K CA -0.094 56.225 56.287 0.053 0.000 0.941 269 K CB 0.659 33.203 32.500 0.074 0.000 0.966 269 K HN -0.081 nan 8.250 nan 0.000 0.480 270 K N 2.246 122.691 120.400 0.075 0.000 2.102 270 K HA 0.174 4.494 4.320 -0.001 0.000 0.244 270 K C -1.754 174.930 176.600 0.140 0.000 1.021 270 K CA -1.240 55.093 56.287 0.077 0.000 0.913 270 K CB 0.220 32.752 32.500 0.053 0.000 1.062 270 K HN 0.576 nan 8.250 nan 0.000 0.485 271 P HA -0.144 nan 4.420 nan 0.000 0.216 271 P C 1.269 178.772 177.300 0.338 0.000 1.153 271 P CA 1.164 64.451 63.100 0.311 0.000 0.848 271 P CB 0.155 31.881 31.700 0.043 0.000 0.787 272 Q N 0.215 120.128 119.800 0.188 0.000 2.291 272 Q HA -0.177 4.163 4.340 -0.001 0.000 0.206 272 Q C 2.002 178.095 176.000 0.155 0.000 0.976 272 Q CA 1.450 57.353 55.803 0.168 0.000 0.875 272 Q CB -0.631 28.172 28.738 0.109 0.000 0.927 272 Q HN 0.356 nan 8.270 nan 0.000 0.450 273 E N -0.684 119.598 120.200 0.137 0.000 2.077 273 E HA -0.185 4.164 4.350 -0.001 0.000 0.193 273 E C 1.681 178.349 176.600 0.113 0.000 0.989 273 E CA 1.181 57.647 56.400 0.111 0.000 0.800 273 E CB -0.070 29.683 29.700 0.089 0.000 0.746 273 E HN 0.294 nan 8.360 nan 0.000 0.452 274 L N 0.622 121.915 121.223 0.117 0.000 2.141 274 L HA -0.146 4.194 4.340 -0.001 0.000 0.209 274 L C 2.207 179.120 176.870 0.071 0.000 1.094 274 L CA 1.069 55.936 54.840 0.045 0.000 0.763 274 L CB -0.215 41.790 42.059 -0.091 0.000 0.908 274 L HN 0.156 nan 8.230 nan 0.000 0.437 275 I N -0.766 119.899 120.570 0.157 0.000 2.353 275 I HA -0.217 3.953 4.170 -0.001 0.000 0.248 275 I C 1.955 178.232 176.117 0.268 0.000 1.119 275 I CA 0.839 62.274 61.300 0.225 0.000 1.417 275 I CB -0.450 37.718 38.000 0.281 0.000 1.078 275 I HN 0.228 nan 8.210 nan 0.000 0.421 276 D N 1.045 121.574 120.400 0.214 0.000 2.087 276 D HA -0.161 4.479 4.640 -0.001 0.000 0.192 276 D C 2.062 178.496 176.300 0.223 0.000 0.993 276 D CA 1.778 55.904 54.000 0.211 0.000 0.828 276 D CB -0.363 40.524 40.800 0.145 0.000 0.968 276 D HN 0.317 nan 8.370 nan 0.000 0.448 277 V N -0.758 119.256 119.914 0.167 0.000 3.630 277 V HA 0.092 4.212 4.120 -0.001 0.000 0.273 277 V C 1.652 177.839 176.094 0.154 0.000 1.248 277 V CA 0.719 63.111 62.300 0.154 0.000 1.170 277 V CB -0.536 31.352 31.823 0.108 0.000 0.899 277 V HN 0.065 nan 8.190 nan 0.000 0.457 278 E N 0.169 120.459 120.200 0.149 0.000 2.333 278 E HA -0.225 4.125 4.350 -0.001 0.000 0.200 278 E C 1.333 177.798 176.600 -0.226 0.000 1.010 278 E CA 2.124 58.520 56.400 -0.006 0.000 0.841 278 E CB -0.142 29.452 29.700 -0.178 0.000 0.757 278 E HN 0.872 nan 8.360 nan 0.000 0.508 279 W N -0.434 120.874 121.300 0.013 0.000 3.008 279 W HA 0.255 4.914 4.660 -0.000 0.000 0.355 279 W C 0.682 177.166 176.519 -0.058 0.000 1.095 279 W CA -0.616 56.690 57.345 -0.064 0.000 1.738 279 W CB 0.514 29.919 29.460 -0.091 0.000 1.091 279 W HN -0.078 nan 8.180 nan 0.000 0.574 280 N N 0.936 119.735 118.700 0.164 0.000 2.375 280 N HA -0.005 4.735 4.740 -0.001 0.000 0.220 280 N C 1.216 176.748 175.510 0.037 0.000 1.170 280 N CA 0.608 53.715 53.050 0.096 0.000 0.833 280 N CB 0.164 38.702 38.487 0.085 0.000 1.069 280 N HN 0.226 nan 8.380 nan 0.000 0.479 281 V N -3.516 116.391 119.914 -0.012 0.000 3.612 281 V HA 0.308 4.427 4.120 -0.001 0.000 0.268 281 V C 0.896 176.928 176.094 -0.102 0.000 1.365 281 V CA -0.176 62.081 62.300 -0.071 0.000 1.044 281 V CB -0.111 31.637 31.823 -0.126 0.000 0.820 281 V HN -0.061 nan 8.190 nan 0.000 0.444 282 L N 1.967 123.138 121.223 -0.087 0.000 2.492 282 L HA 0.205 4.545 4.340 -0.001 0.000 0.280 282 L C -1.097 175.745 176.870 -0.047 0.000 1.240 282 L CA -0.565 54.228 54.840 -0.079 0.000 0.831 282 L CB 0.353 42.402 42.059 -0.018 0.000 1.100 282 L HN 0.173 nan 8.230 nan 0.000 0.505 283 P HA 0.119 nan 4.420 nan 0.000 0.258 283 P C -0.645 176.645 177.300 -0.016 0.000 1.416 283 P CA 0.288 63.370 63.100 -0.030 0.000 0.927 283 P CB 0.046 31.726 31.700 -0.034 0.000 1.444 284 F N -4.318 115.624 119.950 -0.013 0.000 2.926 284 F HA 0.470 4.997 4.527 -0.001 0.000 0.321 284 F C -1.488 174.305 175.800 -0.010 0.000 1.168 284 F CA -1.846 56.148 58.000 -0.009 0.000 0.890 284 F CB 0.159 39.156 39.000 -0.005 0.000 1.357 284 F HN -0.321 nan 8.300 nan 0.000 0.468 285 D N 0.680 121.072 120.400 -0.013 0.000 2.280 285 D HA 0.670 5.310 4.640 -0.001 0.000 0.243 285 D C -0.532 175.752 176.300 -0.026 0.000 1.129 285 D CA 0.432 54.422 54.000 -0.017 0.000 0.848 285 D CB 1.469 42.260 40.800 -0.014 0.000 1.107 285 D HN 0.840 nan 8.370 nan 0.000 0.471 286 S N 2.239 117.919 115.700 -0.033 0.000 2.547 286 S HA 0.429 4.898 4.470 -0.001 0.000 0.270 286 S C -0.576 173.990 174.600 -0.058 0.000 1.150 286 S CA -0.720 57.453 58.200 -0.044 0.000 0.850 286 S CB 1.241 64.413 63.200 -0.045 0.000 1.118 286 S HN 0.494 nan 8.310 nan 0.000 0.461 287 I N 1.591 122.129 120.570 -0.054 0.000 2.793 287 I HA 0.524 4.694 4.170 -0.001 0.000 0.313 287 I C -0.491 175.577 176.117 -0.081 0.000 0.998 287 I CA -0.740 60.532 61.300 -0.047 0.000 1.140 287 I CB 0.724 38.721 38.000 -0.004 0.000 1.327 287 I HN 0.779 nan 8.210 nan 0.000 0.491 288 F N 3.872 123.596 119.950 -0.375 0.000 2.907 288 F HA -0.238 4.288 4.527 -0.001 0.000 0.244 288 F C -0.312 174.989 175.800 -0.832 0.000 1.007 288 F CA 0.813 58.326 58.000 -0.812 0.000 0.872 288 F CB -0.799 37.611 39.000 -0.982 0.000 0.767 288 F HN 0.461 nan 8.300 nan 0.000 0.837 289 R N 0.889 120.951 120.500 -0.729 0.000 2.566 289 R HA 0.642 4.982 4.340 -0.001 0.000 0.271 289 R C -1.456 174.417 176.300 -0.711 0.000 1.071 289 R CA -0.466 55.298 56.100 -0.559 0.000 0.915 289 R CB 1.093 31.275 30.300 -0.197 0.000 1.228 289 R HN -0.040 nan 8.270 nan 0.000 0.449 290 F N 0.552 120.617 119.950 0.191 0.000 2.579 290 F HA 0.455 4.982 4.527 -0.001 0.000 0.324 290 F C 1.250 176.983 175.800 -0.113 0.000 1.058 290 F CA -0.770 57.296 58.000 0.109 0.000 0.944 290 F CB 2.163 41.292 39.000 0.215 0.000 1.245 290 F HN 0.470 nan 8.300 nan 0.000 0.477 291 S N 0.187 115.757 115.700 -0.216 0.000 2.329 291 S HA 0.026 4.496 4.470 -0.001 0.000 0.215 291 S C 0.023 174.261 174.600 -0.604 0.000 1.031 291 S CA 0.956 58.835 58.200 -0.536 0.000 0.985 291 S CB -0.242 62.376 63.200 -0.970 0.000 0.917 291 S HN 0.313 nan 8.310 nan 0.000 0.441 292 F N 1.170 121.057 119.950 -0.105 0.000 2.385 292 F HA 0.669 5.196 4.527 -0.001 0.000 0.360 292 F C 0.065 175.785 175.800 -0.134 0.000 1.122 292 F CA -0.559 57.410 58.000 -0.052 0.000 1.090 292 F CB 0.937 39.946 39.000 0.014 0.000 1.150 292 F HN -0.098 nan 8.300 nan 0.000 0.472 293 V N 3.891 123.776 119.914 -0.048 0.000 3.182 293 V HA 0.540 4.660 4.120 -0.001 0.000 0.308 293 V C -2.321 173.593 176.094 -0.300 0.000 1.240 293 V CA -2.740 59.273 62.300 -0.477 0.000 1.063 293 V CB 3.018 34.701 31.823 -0.234 0.000 1.076 293 V HN 0.366 nan 8.190 nan 0.000 0.446 294 P HA 0.050 nan 4.420 nan 0.000 0.261 294 P C -0.807 176.379 177.300 -0.189 0.000 1.183 294 P CA 0.665 63.650 63.100 -0.191 0.000 0.761 294 P CB 0.332 31.826 31.700 -0.343 0.000 0.785 295 V N 5.548 125.417 119.914 -0.074 0.000 2.644 295 V HA 0.269 4.389 4.120 -0.001 0.000 0.295 295 V C 0.054 176.066 176.094 -0.137 0.000 1.053 295 V CA -0.703 61.525 62.300 -0.119 0.000 0.987 295 V CB 0.678 32.459 31.823 -0.071 0.000 1.006 295 V HN 0.216 nan 8.190 nan 0.000 0.472 296 I N 7.019 127.457 120.570 -0.219 0.000 2.227 296 I HA 0.252 4.422 4.170 -0.001 0.000 0.297 296 I C 0.816 176.911 176.117 -0.037 0.000 1.173 296 I CA -0.109 61.074 61.300 -0.196 0.000 1.356 296 I CB -0.111 37.718 38.000 -0.284 0.000 1.485 296 I HN 0.817 nan 8.210 nan 0.000 0.604 297 D N 2.691 123.147 120.400 0.094 0.000 2.339 297 D HA 0.106 4.745 4.640 -0.001 0.000 0.217 297 D C 1.402 177.755 176.300 0.089 0.000 1.050 297 D CA 0.705 54.696 54.000 -0.015 0.000 0.856 297 D CB 0.675 41.480 40.800 0.007 0.000 0.922 297 D HN 0.617 nan 8.370 nan 0.000 0.518 298 G N -0.272 108.630 108.800 0.169 0.000 2.579 298 G HA2 -0.313 3.647 3.960 -0.001 0.000 0.222 298 G HA3 -0.313 3.647 3.960 -0.001 0.000 0.222 298 G C 0.149 175.143 174.900 0.156 0.000 1.201 298 G CA 0.351 45.539 45.100 0.146 0.000 0.710 298 G HN 0.608 nan 8.290 nan 0.000 0.516 299 E N -0.532 119.779 120.200 0.185 0.000 2.283 299 E HA 0.669 5.019 4.350 -0.001 0.000 0.267 299 E C 0.772 177.498 176.600 0.210 0.000 1.045 299 E CA 0.391 56.884 56.400 0.155 0.000 0.884 299 E CB 0.946 30.739 29.700 0.156 0.000 1.106 299 E HN 1.509 nan 8.360 nan 0.000 0.408 300 F N 0.954 120.870 119.950 -0.055 0.000 2.540 300 F HA -0.281 4.246 4.527 -0.001 0.000 0.722 300 F C -0.252 175.300 175.800 -0.413 0.000 0.486 300 F CA 2.033 59.892 58.000 -0.236 0.000 0.756 300 F CB -1.059 37.787 39.000 -0.257 0.000 1.620 300 F HN 0.631 nan 8.300 nan 0.000 0.271 301 F N 2.439 122.569 119.950 0.301 0.000 2.366 301 F HA 0.407 4.933 4.527 -0.001 0.000 0.366 301 F C -1.656 174.202 175.800 0.097 0.000 1.096 301 F CA -1.736 56.370 58.000 0.177 0.000 1.060 301 F CB 0.832 39.917 39.000 0.142 0.000 1.282 301 F HN -0.255 nan 8.300 nan 0.000 0.450 302 P HA -0.118 nan 4.420 nan 0.000 0.217 302 P C 0.596 177.969 177.300 0.121 0.000 1.148 302 P CA 1.432 64.603 63.100 0.118 0.000 0.828 302 P CB 0.345 32.087 31.700 0.069 0.000 0.783 303 T N -3.567 111.074 114.554 0.145 0.000 2.661 303 T HA 0.372 4.722 4.350 -0.001 0.000 0.305 303 T C -1.186 173.566 174.700 0.087 0.000 1.441 303 T CA -0.339 61.817 62.100 0.094 0.000 0.999 303 T CB 0.372 69.279 68.868 0.065 0.000 1.650 303 T HN -0.061 nan 8.240 nan 0.000 0.489 304 S N 1.204 116.926 115.700 0.036 0.000 2.558 304 S HA 0.160 4.630 4.470 -0.001 0.000 0.288 304 S C 1.328 175.947 174.600 0.030 0.000 1.318 304 S CA -0.213 57.987 58.200 0.000 0.000 1.056 304 S CB 0.190 63.376 63.200 -0.022 0.000 0.853 304 S HN 0.529 nan 8.310 nan 0.000 0.505 305 L N 1.673 122.891 121.223 -0.009 0.000 2.275 305 L HA 0.076 4.416 4.340 -0.001 0.000 0.215 305 L C 2.619 179.532 176.870 0.073 0.000 1.119 305 L CA 1.575 56.439 54.840 0.040 0.000 0.790 305 L CB -1.072 40.967 42.059 -0.033 0.000 0.919 305 L HN 0.864 nan 8.230 nan 0.000 0.443 306 E N -0.540 119.689 120.200 0.048 0.000 2.107 306 E HA -0.110 4.240 4.350 -0.001 0.000 0.191 306 E C 2.245 178.902 176.600 0.094 0.000 0.982 306 E CA 1.279 57.733 56.400 0.090 0.000 0.809 306 E CB 0.023 29.765 29.700 0.069 0.000 0.756 306 E HN 0.382 nan 8.360 nan 0.000 0.459 307 S N 0.213 115.955 115.700 0.069 0.000 2.356 307 S HA -0.167 4.303 4.470 -0.001 0.000 0.223 307 S C 1.997 176.646 174.600 0.080 0.000 1.032 307 S CA 1.533 59.772 58.200 0.066 0.000 1.005 307 S CB -0.316 62.913 63.200 0.049 0.000 0.867 307 S HN 0.303 nan 8.310 nan 0.000 0.449 308 M N 0.504 120.168 119.600 0.107 0.000 2.082 308 M HA -0.132 4.348 4.480 -0.001 0.000 0.258 308 M C 2.058 178.502 176.300 0.240 0.000 1.069 308 M CA 1.349 56.741 55.300 0.153 0.000 1.102 308 M CB -0.671 32.052 32.600 0.205 0.000 1.336 308 M HN 0.206 nan 8.290 nan 0.000 0.404 309 L N 0.632 121.984 121.223 0.215 0.000 2.046 309 L HA -0.193 4.146 4.340 -0.001 0.000 0.208 309 L C 2.101 179.095 176.870 0.206 0.000 1.077 309 L CA 1.706 56.677 54.840 0.218 0.000 0.747 309 L CB -0.924 41.199 42.059 0.107 0.000 0.896 309 L HN 0.283 nan 8.230 nan 0.000 0.432 310 N N -1.072 117.710 118.700 0.137 0.000 2.289 310 N HA -0.112 4.628 4.740 -0.001 0.000 0.184 310 N C 1.715 177.286 175.510 0.102 0.000 1.016 310 N CA 1.318 54.446 53.050 0.130 0.000 0.872 310 N CB -0.102 38.451 38.487 0.109 0.000 0.973 310 N HN 0.462 nan 8.380 nan 0.000 0.433 311 S N -2.346 113.339 115.700 -0.025 0.000 2.539 311 S HA 0.366 4.836 4.470 -0.001 0.000 0.221 311 S C 1.311 175.532 174.600 -0.632 0.000 0.987 311 S CA 0.272 58.389 58.200 -0.137 0.000 0.929 311 S CB 0.605 63.760 63.200 -0.076 0.000 0.832 311 S HN 0.322 nan 8.310 nan 0.000 0.492 312 G N 2.287 110.406 108.800 -1.136 0.000 2.159 312 G HA2 -0.295 3.664 3.960 -0.001 0.000 0.256 312 G HA3 -0.295 3.664 3.960 -0.001 0.000 0.256 312 G C 0.040 173.938 174.900 -1.671 0.000 0.977 312 G CA 0.064 43.700 45.100 -2.441 0.000 0.652 312 G HN 0.631 nan 8.290 nan 0.000 0.531 313 N N 0.846 119.086 118.700 -0.766 0.000 2.549 313 N HA 0.482 5.222 4.740 -0.001 0.000 0.267 313 N C -0.203 175.212 175.510 -0.159 0.000 1.182 313 N CA 0.263 53.081 53.050 -0.386 0.000 1.019 313 N CB -1.038 37.372 38.487 -0.129 0.000 1.380 313 N HN 0.773 nan 8.380 nan 0.000 0.505 314 F N -0.831 119.063 119.950 -0.094 0.000 2.799 314 F HA 0.378 4.905 4.527 -0.000 0.000 0.316 314 F C -0.156 175.666 175.800 0.037 0.000 1.155 314 F CA -1.403 56.610 58.000 0.021 0.000 0.916 314 F CB 0.465 39.534 39.000 0.115 0.000 1.294 314 F HN -0.084 nan 8.300 nan 0.000 0.447 315 K N 0.956 121.580 120.400 0.372 0.000 2.518 315 K HA 0.206 4.526 4.320 -0.001 0.000 0.276 315 K C -0.925 175.891 176.600 0.359 0.000 0.974 315 K CA 0.081 56.511 56.287 0.238 0.000 0.986 315 K CB 0.465 33.087 32.500 0.202 0.000 0.901 315 K HN 0.745 nan 8.250 nan 0.000 0.497 316 K N 2.509 123.012 120.400 0.172 0.000 2.624 316 K HA 0.128 4.448 4.320 -0.001 0.000 0.200 316 K C -0.551 176.141 176.600 0.153 0.000 1.036 316 K CA -0.350 56.031 56.287 0.157 0.000 1.029 316 K CB 1.659 34.165 32.500 0.010 0.000 1.317 316 K HN 0.518 nan 8.250 nan 0.000 0.555 317 T N 0.055 114.775 114.554 0.276 0.000 2.797 317 T HA 0.274 4.623 4.350 -0.001 0.000 0.267 317 T C -1.134 173.759 174.700 0.323 0.000 0.986 317 T CA -0.539 61.690 62.100 0.215 0.000 0.999 317 T CB 0.962 69.941 68.868 0.185 0.000 1.508 317 T HN 0.410 nan 8.240 nan 0.000 0.595 318 Q N 1.561 121.536 119.800 0.292 0.000 2.257 318 Q HA 0.644 4.983 4.340 -0.001 0.000 0.262 318 Q C -0.618 175.685 176.000 0.505 0.000 0.997 318 Q CA -0.874 55.164 55.803 0.392 0.000 0.873 318 Q CB 1.644 30.618 28.738 0.393 0.000 1.312 318 Q HN 0.837 nan 8.270 nan 0.000 0.450 319 I N -1.862 118.983 120.570 0.457 0.000 3.042 319 I HA 0.711 4.881 4.170 -0.001 0.000 0.310 319 I C -1.416 174.705 176.117 0.007 0.000 1.117 319 I CA -1.582 59.894 61.300 0.293 0.000 1.003 319 I CB 2.388 40.420 38.000 0.053 0.000 1.228 319 I HN 0.569 nan 8.210 nan 0.000 0.443 320 L N 5.154 126.175 121.223 -0.337 0.000 2.376 320 L HA 0.738 5.077 4.340 -0.001 0.000 0.275 320 L C -1.152 175.630 176.870 -0.147 0.000 0.987 320 L CA -0.414 54.117 54.840 -0.515 0.000 0.828 320 L CB 1.573 42.835 42.059 -1.329 0.000 1.249 320 L HN 0.760 nan 8.230 nan 0.000 0.409 321 L N 2.143 123.399 121.223 0.054 0.000 2.491 321 L HA 1.127 5.467 4.340 -0.001 0.000 0.254 321 L C -0.743 176.070 176.870 -0.096 0.000 1.048 321 L CA -0.530 54.364 54.840 0.089 0.000 0.855 321 L CB 2.002 44.079 42.059 0.030 0.000 1.466 321 L HN 0.650 nan 8.230 nan 0.000 0.409 322 G N -0.042 108.519 108.800 -0.398 0.000 2.495 322 G HA2 0.581 4.541 3.960 -0.001 0.000 0.294 322 G HA3 0.581 4.541 3.960 -0.001 0.000 0.294 322 G C -2.143 172.421 174.900 -0.560 0.000 1.397 322 G CA -0.465 43.969 45.100 -1.111 0.000 0.790 322 G HN 0.579 nan 8.290 nan 0.000 0.486 323 V N 0.584 120.242 119.914 -0.427 0.000 3.040 323 V HA 0.632 4.752 4.120 -0.001 0.000 0.312 323 V C -0.373 175.680 176.094 -0.067 0.000 1.115 323 V CA -0.944 61.295 62.300 -0.101 0.000 0.998 323 V CB 2.158 33.980 31.823 -0.002 0.000 1.042 323 V HN 1.054 nan 8.190 nan 0.000 0.433 324 N N 1.217 119.915 118.700 -0.003 0.000 2.362 324 N HA 0.418 5.157 4.740 -0.001 0.000 0.299 324 N C 0.512 175.918 175.510 -0.173 0.000 1.170 324 N CA -0.832 52.167 53.050 -0.086 0.000 0.825 324 N CB 2.554 41.188 38.487 0.244 0.000 1.299 324 N HN 0.532 nan 8.380 nan 0.000 0.502 325 K N -0.146 120.042 120.400 -0.352 0.000 2.032 325 K HA -0.169 4.151 4.320 -0.001 0.000 0.218 325 K C -0.413 176.224 176.600 0.063 0.000 1.054 325 K CA 1.666 57.867 56.287 -0.143 0.000 0.941 325 K CB -0.145 32.277 32.500 -0.131 0.000 0.720 325 K HN 0.615 nan 8.250 nan 0.000 0.449 326 D N 0.885 121.315 120.400 0.050 0.000 2.479 326 D HA 0.051 4.691 4.640 -0.001 0.000 0.247 326 D C 0.370 176.740 176.300 0.117 0.000 1.119 326 D CA -0.056 53.994 54.000 0.084 0.000 0.922 326 D CB 1.515 42.332 40.800 0.027 0.000 1.014 326 D HN 0.172 nan 8.370 nan 0.000 0.510 327 E N 1.135 121.444 120.200 0.182 0.000 2.072 327 E HA -0.083 4.267 4.350 -0.001 0.000 0.190 327 E C 2.087 178.861 176.600 0.290 0.000 0.982 327 E CA 0.467 57.040 56.400 0.289 0.000 0.803 327 E CB 0.023 29.919 29.700 0.327 0.000 0.755 327 E HN 0.490 nan 8.360 nan 0.000 0.453 328 G N 1.683 110.620 108.800 0.229 0.000 2.529 328 G HA2 -0.349 3.610 3.960 -0.001 0.000 0.219 328 G HA3 -0.349 3.610 3.960 -0.001 0.000 0.219 328 G C 1.769 176.772 174.900 0.171 0.000 1.177 328 G CA 1.629 46.868 45.100 0.231 0.000 0.773 328 G HN 0.229 nan 8.290 nan 0.000 0.573 329 S N 0.632 116.353 115.700 0.034 0.000 2.444 329 S HA -0.298 4.172 4.470 -0.001 0.000 0.274 329 S C 1.934 176.407 174.600 -0.213 0.000 1.130 329 S CA 1.842 59.960 58.200 -0.137 0.000 1.243 329 S CB -0.680 62.326 63.200 -0.323 0.000 1.166 329 S HN 0.271 nan 8.310 nan 0.000 0.439 330 F N 0.980 120.634 119.950 -0.493 0.000 2.147 330 F HA -0.097 4.430 4.527 -0.001 0.000 0.301 330 F C 1.915 177.248 175.800 -0.780 0.000 1.084 330 F CA 0.699 58.235 58.000 -0.774 0.000 1.268 330 F CB -0.942 37.381 39.000 -1.128 0.000 1.009 330 F HN 0.186 nan 8.300 nan 0.000 0.486 331 F N -1.164 118.670 119.950 -0.193 0.000 2.219 331 F HA -0.064 4.462 4.527 -0.001 0.000 0.294 331 F C 2.323 178.031 175.800 -0.153 0.000 1.086 331 F CA 0.532 58.378 58.000 -0.256 0.000 1.330 331 F CB -1.041 37.740 39.000 -0.365 0.000 1.047 331 F HN -0.183 nan 8.300 nan 0.000 0.495 332 L N -0.388 120.799 121.223 -0.059 0.000 1.970 332 L HA -0.236 4.104 4.340 -0.001 0.000 0.212 332 L C 2.498 179.183 176.870 -0.308 0.000 1.071 332 L CA 1.034 55.649 54.840 -0.374 0.000 0.751 332 L CB -0.791 40.810 42.059 -0.763 0.000 0.889 332 L HN 0.169 nan 8.230 nan 0.000 0.432 333 L N -0.430 120.748 121.223 -0.074 0.000 1.951 333 L HA -0.302 4.037 4.340 -0.001 0.000 0.222 333 L C 1.916 178.933 176.870 0.244 0.000 1.078 333 L CA 1.995 56.974 54.840 0.232 0.000 0.778 333 L CB -0.800 41.392 42.059 0.221 0.000 0.893 333 L HN 0.136 nan 8.230 nan 0.000 0.436 334 Y N -0.228 120.097 120.300 0.042 0.000 2.506 334 Y HA 0.251 4.800 4.550 -0.001 0.000 0.335 334 Y C 1.634 177.513 175.900 -0.036 0.000 1.218 334 Y CA 0.600 58.715 58.100 0.024 0.000 1.260 334 Y CB -0.340 38.067 38.460 -0.089 0.000 1.085 334 Y HN 0.399 nan 8.280 nan 0.000 0.495 335 G N -1.961 106.910 108.800 0.118 0.000 4.211 335 G HA2 0.377 4.336 3.960 -0.001 0.000 0.192 335 G HA3 0.377 4.336 3.960 -0.001 0.000 0.192 335 G C -0.300 174.641 174.900 0.069 0.000 0.951 335 G CA 0.157 45.291 45.100 0.057 0.000 0.804 335 G HN 0.304 nan 8.290 nan 0.000 0.489 336 A N 1.363 124.259 122.820 0.126 0.000 2.342 336 A HA 0.875 5.194 4.320 -0.001 0.000 0.323 336 A C -2.842 174.960 177.584 0.362 0.000 1.125 336 A CA -1.642 50.526 52.037 0.218 0.000 0.785 336 A CB 1.722 20.867 19.000 0.241 0.000 1.221 336 A HN 0.007 nan 8.150 nan 0.000 0.463 337 P HA 0.392 nan 4.420 nan 0.000 0.276 337 P C 0.830 178.155 177.300 0.042 0.000 1.235 337 P CA 1.204 64.373 63.100 0.113 0.000 0.772 337 P CB 1.296 33.026 31.700 0.051 0.000 0.871 338 G N 1.959 110.742 108.800 -0.028 0.000 2.278 338 G HA2 -0.197 3.763 3.960 -0.001 0.000 0.210 338 G HA3 -0.197 3.763 3.960 -0.001 0.000 0.210 338 G C -0.291 174.427 174.900 -0.302 0.000 1.000 338 G CA -0.560 44.407 45.100 -0.221 0.000 0.635 338 G HN 0.405 nan 8.290 nan 0.000 0.495 339 F N 2.578 122.491 119.950 -0.062 0.000 2.394 339 F HA 0.647 5.173 4.527 -0.001 0.000 0.340 339 F C 0.769 176.608 175.800 0.065 0.000 1.105 339 F CA 0.211 58.166 58.000 -0.075 0.000 1.124 339 F CB 2.084 41.125 39.000 0.067 0.000 1.145 339 F HN 0.263 nan 8.300 nan 0.000 0.505 340 S N 2.241 118.130 115.700 0.315 0.000 2.535 340 S HA 0.306 4.776 4.470 -0.001 0.000 0.272 340 S C -1.157 173.708 174.600 0.443 0.000 1.149 340 S CA -1.355 57.040 58.200 0.326 0.000 0.888 340 S CB 1.766 65.064 63.200 0.164 0.000 1.110 340 S HN 0.495 nan 8.310 nan 0.000 0.463 341 K N 0.830 121.490 120.400 0.433 0.000 2.414 341 K HA 0.117 4.436 4.320 -0.001 0.000 0.272 341 K C -0.169 176.568 176.600 0.227 0.000 0.993 341 K CA 0.845 57.331 56.287 0.332 0.000 0.964 341 K CB 0.062 32.633 32.500 0.119 0.000 0.925 341 K HN 0.818 nan 8.250 nan 0.000 0.487 342 D N 0.044 120.552 120.400 0.179 0.000 2.001 342 D HA -0.151 4.489 4.640 -0.001 0.000 0.175 342 D C -0.201 176.165 176.300 0.110 0.000 1.313 342 D CA 1.200 55.261 54.000 0.101 0.000 1.259 342 D CB -0.817 40.011 40.800 0.046 0.000 1.284 342 D HN 0.450 nan 8.370 nan 0.000 0.549 343 S N -0.664 115.120 115.700 0.140 0.000 2.745 343 S HA 0.431 4.900 4.470 -0.001 0.000 0.292 343 S C 0.498 175.128 174.600 0.049 0.000 1.133 343 S CA 0.186 58.412 58.200 0.043 0.000 0.998 343 S CB 1.961 65.140 63.200 -0.036 0.000 1.087 343 S HN 0.229 nan 8.310 nan 0.000 0.551 344 E N -0.157 120.007 120.200 -0.060 0.000 2.723 344 E HA 0.269 4.618 4.350 -0.001 0.000 0.219 344 E C -0.515 175.871 176.600 -0.356 0.000 1.060 344 E CA -0.418 55.927 56.400 -0.092 0.000 1.291 344 E CB -0.673 29.050 29.700 0.039 0.000 1.265 344 E HN 0.515 nan 8.360 nan 0.000 0.438 345 S N 2.060 117.434 115.700 -0.543 0.000 3.507 345 S HA -0.215 4.255 4.470 -0.001 0.000 0.139 345 S C 0.124 174.375 174.600 -0.582 0.000 0.333 345 S CA 0.873 58.672 58.200 -0.669 0.000 1.411 345 S CB -1.157 61.378 63.200 -1.108 0.000 0.973 345 S HN 0.543 nan 8.310 nan 0.000 0.248 346 K N 1.486 121.668 120.400 -0.363 0.000 2.258 346 K HA 0.373 4.693 4.320 -0.001 0.000 0.284 346 K C 0.036 176.450 176.600 -0.310 0.000 1.051 346 K CA -0.598 55.526 56.287 -0.272 0.000 0.923 346 K CB 0.764 33.162 32.500 -0.170 0.000 1.046 346 K HN 0.200 nan 8.250 nan 0.000 0.474 347 I N 1.585 121.978 120.570 -0.294 0.000 2.664 347 I HA 0.049 4.219 4.170 -0.001 0.000 0.308 347 I C 0.626 176.657 176.117 -0.143 0.000 0.984 347 I CA 0.174 61.308 61.300 -0.276 0.000 1.213 347 I CB 1.673 39.482 38.000 -0.318 0.000 1.379 347 I HN 0.660 nan 8.210 nan 0.000 0.501 348 S N 4.764 120.398 115.700 -0.111 0.000 2.713 348 S HA 0.474 4.944 4.470 -0.001 0.000 0.283 348 S C 0.945 175.525 174.600 -0.033 0.000 1.161 348 S CA -0.674 57.480 58.200 -0.076 0.000 0.999 348 S CB 1.266 64.427 63.200 -0.065 0.000 1.039 348 S HN 0.433 nan 8.310 nan 0.000 0.548 349 R N 0.563 121.024 120.500 -0.064 0.000 2.285 349 R HA 0.008 4.348 4.340 -0.001 0.000 0.213 349 R C 2.215 178.544 176.300 0.048 0.000 1.068 349 R CA 0.810 56.876 56.100 -0.056 0.000 1.004 349 R CB -0.973 29.244 30.300 -0.138 0.000 0.873 349 R HN 0.827 nan 8.270 nan 0.000 0.467 350 E N 0.953 121.168 120.200 0.024 0.000 2.028 350 E HA -0.119 4.231 4.350 -0.001 0.000 0.190 350 E C 1.043 177.679 176.600 0.059 0.000 0.984 350 E CA 1.304 57.726 56.400 0.037 0.000 0.800 350 E CB -0.044 29.661 29.700 0.007 0.000 0.758 350 E HN 0.350 nan 8.360 nan 0.000 0.448 351 D N -0.790 119.632 120.400 0.037 0.000 2.312 351 D HA -0.023 4.617 4.640 -0.001 0.000 0.211 351 D C 1.580 177.925 176.300 0.076 0.000 0.964 351 D CA 0.588 54.603 54.000 0.025 0.000 0.877 351 D CB -0.314 40.457 40.800 -0.048 0.000 0.924 351 D HN 0.385 nan 8.370 nan 0.000 0.515 352 F N 1.044 120.967 119.950 -0.044 0.000 2.098 352 F HA -0.190 4.337 4.527 -0.001 0.000 0.294 352 F C 2.494 178.301 175.800 0.011 0.000 1.107 352 F CA 1.018 59.008 58.000 -0.017 0.000 1.234 352 F CB -0.272 38.703 39.000 -0.043 0.000 1.002 352 F HN -0.190 nan 8.300 nan 0.000 0.472 353 M N -0.303 119.492 119.600 0.324 0.000 2.358 353 M HA -0.120 4.360 4.480 -0.001 0.000 0.264 353 M C 2.307 178.635 176.300 0.046 0.000 1.064 353 M CA 1.566 56.978 55.300 0.188 0.000 1.093 353 M CB -1.484 31.240 32.600 0.208 0.000 1.401 353 M HN 0.380 nan 8.290 nan 0.000 0.440 354 S N 0.177 115.899 115.700 0.037 0.000 2.377 354 S HA 0.033 4.503 4.470 -0.001 0.000 0.223 354 S C 2.225 176.816 174.600 -0.016 0.000 1.030 354 S CA 1.111 59.319 58.200 0.013 0.000 0.970 354 S CB -0.903 62.311 63.200 0.023 0.000 0.830 354 S HN 0.716 nan 8.310 nan 0.000 0.473 355 G N 2.553 111.332 108.800 -0.035 0.000 2.511 355 G HA2 -0.234 3.725 3.960 -0.001 0.000 0.216 355 G HA3 -0.234 3.725 3.960 -0.001 0.000 0.216 355 G C 1.701 176.522 174.900 -0.133 0.000 1.218 355 G CA 1.513 46.580 45.100 -0.055 0.000 0.788 355 G HN 0.560 nan 8.290 nan 0.000 0.560 356 V N -0.526 119.234 119.914 -0.257 0.000 2.546 356 V HA -0.160 3.959 4.120 -0.001 0.000 0.254 356 V C 2.390 178.415 176.094 -0.114 0.000 1.076 356 V CA 2.601 64.776 62.300 -0.208 0.000 1.087 356 V CB -0.594 31.090 31.823 -0.231 0.000 0.674 356 V HN 0.387 nan 8.190 nan 0.000 0.470 357 K N 0.250 120.602 120.400 -0.079 0.000 2.103 357 K HA 0.091 4.410 4.320 -0.001 0.000 0.204 357 K C 2.211 178.765 176.600 -0.076 0.000 1.052 357 K CA 1.599 57.847 56.287 -0.065 0.000 0.945 357 K CB -0.336 32.142 32.500 -0.035 0.000 0.722 357 K HN 0.462 nan 8.250 nan 0.000 0.443 358 L N 0.991 122.178 121.223 -0.060 0.000 2.131 358 L HA -0.167 4.173 4.340 -0.001 0.000 0.210 358 L C 2.218 179.043 176.870 -0.075 0.000 1.092 358 L CA 0.988 55.795 54.840 -0.054 0.000 0.759 358 L CB -0.297 41.745 42.059 -0.028 0.000 0.903 358 L HN 0.125 nan 8.230 nan 0.000 0.435 359 S N -0.930 114.711 115.700 -0.099 0.000 2.395 359 S HA -0.015 4.454 4.470 -0.001 0.000 0.225 359 S C 1.014 175.467 174.600 -0.245 0.000 1.027 359 S CA 0.512 58.635 58.200 -0.128 0.000 0.965 359 S CB 0.204 63.330 63.200 -0.123 0.000 0.812 359 S HN 0.166 nan 8.310 nan 0.000 0.482 360 V N 3.148 122.892 119.914 -0.284 0.000 2.326 360 V HA 0.237 4.357 4.120 -0.001 0.000 0.254 360 V C -2.091 173.695 176.094 -0.513 0.000 1.022 360 V CA -1.338 60.646 62.300 -0.526 0.000 1.074 360 V CB 0.584 32.199 31.823 -0.346 0.000 1.305 360 V HN 0.182 nan 8.190 nan 0.000 0.506 361 P HA -0.124 nan 4.420 nan 0.000 0.228 361 P C 0.976 178.216 177.300 -0.100 0.000 1.151 361 P CA 1.370 64.386 63.100 -0.139 0.000 0.770 361 P CB 0.045 31.736 31.700 -0.014 0.000 0.786 362 H N -2.127 116.920 119.070 -0.038 0.000 2.592 362 H HA 0.546 5.102 4.556 -0.001 0.000 0.265 362 H C 0.881 176.196 175.328 -0.021 0.000 0.955 362 H CA -0.209 55.823 56.048 -0.027 0.000 1.175 362 H CB -0.654 29.094 29.762 -0.022 0.000 1.433 362 H HN -0.032 nan 8.280 nan 0.000 0.537 363 A N 1.927 124.593 122.820 -0.256 0.000 2.466 363 A HA 0.162 4.481 4.320 -0.001 0.000 0.238 363 A C 0.388 177.948 177.584 -0.040 0.000 1.074 363 A CA -0.179 51.790 52.037 -0.114 0.000 0.774 363 A CB 0.007 18.915 19.000 -0.154 0.000 1.015 363 A HN 0.752 nan 8.150 nan 0.000 0.498 364 N N 0.408 119.101 118.700 -0.012 0.000 2.448 364 N HA 0.422 5.162 4.740 -0.001 0.000 0.274 364 N C 0.721 176.233 175.510 0.004 0.000 1.239 364 N CA 0.241 53.289 53.050 -0.002 0.000 0.982 364 N CB -0.150 38.339 38.487 0.003 0.000 1.199 364 N HN 0.549 nan 8.380 nan 0.000 0.576 365 D N -0.413 119.994 120.400 0.012 0.000 2.123 365 D HA -0.151 4.489 4.640 -0.001 0.000 0.196 365 D C 1.650 177.973 176.300 0.038 0.000 0.992 365 D CA 1.298 55.312 54.000 0.024 0.000 0.833 365 D CB -0.315 40.500 40.800 0.025 0.000 0.954 365 D HN 0.413 nan 8.370 nan 0.000 0.455 366 L N 1.243 122.486 121.223 0.033 0.000 2.083 366 L HA 0.064 4.404 4.340 -0.001 0.000 0.209 366 L C 2.948 179.858 176.870 0.067 0.000 1.083 366 L CA 2.423 57.291 54.840 0.047 0.000 0.752 366 L CB -1.333 40.747 42.059 0.034 0.000 0.899 366 L HN 0.353 nan 8.230 nan 0.000 0.433 367 G N -0.505 108.323 108.800 0.045 0.000 2.418 367 G HA2 -0.250 3.710 3.960 -0.001 0.000 0.217 367 G HA3 -0.250 3.710 3.960 -0.001 0.000 0.217 367 G C 1.708 176.657 174.900 0.082 0.000 1.158 367 G CA 0.844 45.976 45.100 0.052 0.000 0.771 367 G HN 0.430 nan 8.290 nan 0.000 0.545 368 L N 0.420 121.678 121.223 0.058 0.000 2.131 368 L HA -0.057 4.283 4.340 -0.001 0.000 0.210 368 L C 2.440 179.385 176.870 0.125 0.000 1.092 368 L CA 1.016 55.901 54.840 0.075 0.000 0.759 368 L CB -0.344 41.746 42.059 0.052 0.000 0.903 368 L HN 0.073 nan 8.230 nan 0.000 0.435 369 D N 0.252 120.722 120.400 0.117 0.000 2.117 369 D HA -0.153 4.487 4.640 -0.001 0.000 0.197 369 D C 2.262 178.651 176.300 0.149 0.000 0.987 369 D CA 1.471 55.551 54.000 0.133 0.000 0.829 369 D CB -0.050 40.808 40.800 0.096 0.000 0.961 369 D HN 0.304 nan 8.370 nan 0.000 0.460 370 A N 0.336 123.259 122.820 0.171 0.000 1.930 370 A HA -0.120 4.199 4.320 -0.001 0.000 0.217 370 A C 2.454 180.102 177.584 0.107 0.000 1.175 370 A CA 1.147 53.308 52.037 0.207 0.000 0.627 370 A CB -0.634 18.633 19.000 0.445 0.000 0.815 370 A HN 0.150 nan 8.150 nan 0.000 0.443 371 V N -0.138 119.904 119.914 0.212 0.000 2.343 371 V HA -0.225 3.894 4.120 -0.001 0.000 0.247 371 V C 2.721 178.948 176.094 0.222 0.000 1.051 371 V CA 2.441 64.851 62.300 0.184 0.000 1.036 371 V CB -1.444 30.506 31.823 0.212 0.000 0.654 371 V HN 0.603 nan 8.190 nan 0.000 0.451 372 T N 0.843 115.553 114.554 0.260 0.000 2.652 372 T HA -0.213 4.137 4.350 -0.001 0.000 0.267 372 T C 1.952 176.880 174.700 0.379 0.000 1.039 372 T CA 1.842 64.168 62.100 0.377 0.000 1.153 372 T CB -0.487 68.619 68.868 0.396 0.000 0.863 372 T HN 0.291 nan 8.240 nan 0.000 0.428 373 L N 1.192 122.618 121.223 0.339 0.000 2.137 373 L HA -0.145 4.194 4.340 -0.001 0.000 0.213 373 L C 2.264 179.253 176.870 0.198 0.000 1.085 373 L CA 1.766 56.817 54.840 0.351 0.000 0.760 373 L CB -0.750 41.350 42.059 0.068 0.000 0.893 373 L HN 0.176 nan 8.230 nan 0.000 0.434 374 Q N -1.944 117.821 119.800 -0.058 0.000 2.212 374 Q HA -0.070 4.270 4.340 -0.001 0.000 0.199 374 Q C 1.795 177.617 176.000 -0.297 0.000 0.950 374 Q CA 1.333 56.937 55.803 -0.332 0.000 0.863 374 Q CB -0.073 28.149 28.738 -0.861 0.000 0.944 374 Q HN 0.628 nan 8.270 nan 0.000 0.465 375 Y N 0.095 120.417 120.300 0.037 0.000 2.449 375 Y HA 0.130 4.680 4.550 -0.001 0.000 0.254 375 Y C 0.595 176.534 175.900 0.064 0.000 1.140 375 Y CA 0.094 58.262 58.100 0.114 0.000 1.272 375 Y CB 0.857 39.444 38.460 0.211 0.000 1.114 375 Y HN -0.164 nan 8.280 nan 0.000 0.525 376 T N 0.263 114.824 114.554 0.011 0.000 2.909 376 T HA 0.094 4.443 4.350 -0.001 0.000 0.286 376 T C -0.648 173.741 174.700 -0.518 0.000 1.002 376 T CA -0.628 61.206 62.100 -0.443 0.000 1.074 376 T CB 1.129 69.366 68.868 -1.052 0.000 0.984 376 T HN -0.047 nan 8.240 nan 0.000 0.495 377 D N 1.118 121.226 120.400 -0.487 0.000 2.479 377 D HA 0.168 4.808 4.640 -0.001 0.000 0.218 377 D C 0.182 176.255 176.300 -0.378 0.000 1.131 377 D CA -0.846 52.982 54.000 -0.286 0.000 0.916 377 D CB 0.079 40.785 40.800 -0.156 0.000 1.022 377 D HN 0.561 nan 8.370 nan 0.000 0.515 378 W N 2.712 123.976 121.300 -0.060 0.000 2.387 378 W HA -0.126 4.534 4.660 -0.001 0.000 0.272 378 W C 1.912 178.400 176.519 -0.051 0.000 1.224 378 W CA 0.048 57.357 57.345 -0.060 0.000 1.210 378 W CB -0.253 29.174 29.460 -0.055 0.000 1.125 378 W HN 0.389 nan 8.180 nan 0.000 0.572 379 M N -0.142 119.517 119.600 0.097 0.000 2.686 379 M HA -0.033 4.446 4.480 -0.001 0.000 0.246 379 M C -0.008 176.290 176.300 -0.004 0.000 1.096 379 M CA 1.362 56.692 55.300 0.050 0.000 1.076 379 M CB -0.725 31.896 32.600 0.035 0.000 1.504 379 M HN -0.066 nan 8.290 nan 0.000 0.524 380 D N -0.063 120.304 120.400 -0.056 0.000 4.049 380 D HA -0.053 4.587 4.640 -0.001 0.000 0.241 380 D C 0.211 176.410 176.300 -0.169 0.000 1.472 380 D CA 0.065 54.013 54.000 -0.086 0.000 0.879 380 D CB -0.046 40.712 40.800 -0.070 0.000 1.386 380 D HN 0.287 nan 8.370 nan 0.000 0.813 381 D N -1.045 119.232 120.400 -0.205 0.000 2.407 381 D HA -0.120 4.520 4.640 -0.001 0.000 0.234 381 D C 0.650 176.746 176.300 -0.339 0.000 1.029 381 D CA 0.817 54.594 54.000 -0.371 0.000 0.937 381 D CB -0.507 40.054 40.800 -0.399 0.000 0.882 381 D HN 0.390 nan 8.370 nan 0.000 0.531 382 N N 0.526 119.090 118.700 -0.227 0.000 2.217 382 N HA -0.061 4.679 4.740 -0.001 0.000 0.239 382 N C 0.184 175.597 175.510 -0.160 0.000 1.330 382 N CA -0.502 52.426 53.050 -0.204 0.000 0.838 382 N CB -0.369 38.033 38.487 -0.143 0.000 1.287 382 N HN 0.032 nan 8.380 nan 0.000 0.498 383 N N 1.483 120.092 118.700 -0.151 0.000 2.411 383 N HA 0.055 4.794 4.740 -0.001 0.000 0.282 383 N C 1.591 177.037 175.510 -0.107 0.000 1.322 383 N CA 0.774 53.759 53.050 -0.108 0.000 0.943 383 N CB 0.359 38.793 38.487 -0.088 0.000 1.266 383 N HN 0.407 nan 8.380 nan 0.000 0.486 384 G N 4.662 113.402 108.800 -0.100 0.000 2.556 384 G HA2 -0.287 3.672 3.960 -0.001 0.000 0.220 384 G HA3 -0.287 3.672 3.960 -0.001 0.000 0.220 384 G C 1.524 176.367 174.900 -0.094 0.000 1.156 384 G CA 0.690 45.727 45.100 -0.106 0.000 0.766 384 G HN 0.698 nan 8.290 nan 0.000 0.583 385 I N 0.073 120.601 120.570 -0.070 0.000 2.252 385 I HA -0.100 4.070 4.170 -0.001 0.000 0.245 385 I C 2.834 178.952 176.117 0.001 0.000 1.102 385 I CA 1.165 62.441 61.300 -0.040 0.000 1.385 385 I CB -0.077 37.911 38.000 -0.020 0.000 1.064 385 I HN 0.153 nan 8.210 nan 0.000 0.414 386 K N 0.444 120.837 120.400 -0.012 0.000 2.147 386 K HA -0.167 4.153 4.320 -0.001 0.000 0.205 386 K C 1.697 178.324 176.600 0.045 0.000 1.049 386 K CA 1.255 57.549 56.287 0.011 0.000 0.936 386 K CB -0.224 32.252 32.500 -0.040 0.000 0.722 386 K HN 0.347 nan 8.250 nan 0.000 0.446 387 N N 0.812 119.513 118.700 0.002 0.000 2.244 387 N HA -0.150 4.590 4.740 -0.001 0.000 0.183 387 N C 1.682 177.338 175.510 0.244 0.000 1.016 387 N CA 0.751 53.875 53.050 0.122 0.000 0.866 387 N CB -0.146 38.365 38.487 0.039 0.000 0.980 387 N HN 0.222 nan 8.380 nan 0.000 0.430 388 R N 1.517 122.072 120.500 0.092 0.000 2.064 388 R HA -0.096 4.243 4.340 -0.001 0.000 0.228 388 R C 0.722 177.173 176.300 0.252 0.000 1.144 388 R CA 1.527 57.688 56.100 0.101 0.000 0.932 388 R CB -0.376 29.879 30.300 -0.075 0.000 0.833 388 R HN 0.035 nan 8.270 nan 0.000 0.429 389 D N -0.216 120.311 120.400 0.211 0.000 2.182 389 D HA -0.115 4.524 4.640 -0.001 0.000 0.201 389 D C 1.736 178.190 176.300 0.257 0.000 0.986 389 D CA 1.481 55.625 54.000 0.240 0.000 0.847 389 D CB -0.591 40.325 40.800 0.193 0.000 0.942 389 D HN 0.582 nan 8.370 nan 0.000 0.467 390 G N 0.528 109.494 108.800 0.277 0.000 2.422 390 G HA2 -0.182 3.777 3.960 -0.001 0.000 0.218 390 G HA3 -0.182 3.777 3.960 -0.001 0.000 0.218 390 G C 1.757 176.809 174.900 0.254 0.000 1.146 390 G CA 0.162 45.469 45.100 0.346 0.000 0.769 390 G HN 0.265 nan 8.290 nan 0.000 0.547 391 L N 0.163 121.511 121.223 0.210 0.000 2.093 391 L HA -0.030 4.310 4.340 -0.001 0.000 0.208 391 L C 2.512 179.444 176.870 0.102 0.000 1.085 391 L CA 0.912 55.789 54.840 0.062 0.000 0.755 391 L CB -0.277 41.864 42.059 0.136 0.000 0.904 391 L HN 0.134 nan 8.230 nan 0.000 0.435 392 D N 0.287 120.808 120.400 0.202 0.000 2.190 392 D HA -0.214 4.425 4.640 -0.001 0.000 0.200 392 D C 1.474 177.868 176.300 0.157 0.000 0.992 392 D CA 1.307 55.421 54.000 0.190 0.000 0.854 392 D CB 0.125 41.078 40.800 0.255 0.000 0.936 392 D HN 0.330 nan 8.370 nan 0.000 0.462 393 D N -0.437 120.067 120.400 0.173 0.000 2.271 393 D HA 0.023 4.663 4.640 -0.001 0.000 0.206 393 D C 2.270 178.603 176.300 0.055 0.000 0.967 393 D CA 0.038 54.158 54.000 0.201 0.000 0.867 393 D CB 0.008 41.043 40.800 0.391 0.000 0.960 393 D HN 0.352 nan 8.370 nan 0.000 0.509 394 I N 0.571 121.047 120.570 -0.156 0.000 2.315 394 I HA -0.200 3.970 4.170 -0.001 0.000 0.248 394 I C 2.222 178.254 176.117 -0.142 0.000 1.117 394 I CA 0.639 61.757 61.300 -0.302 0.000 1.404 394 I CB -0.027 37.767 38.000 -0.344 0.000 1.071 394 I HN -0.106 nan 8.210 nan 0.000 0.419 395 V N 0.898 120.775 119.914 -0.063 0.000 2.283 395 V HA -0.137 3.983 4.120 -0.001 0.000 0.243 395 V C 2.640 178.707 176.094 -0.044 0.000 1.039 395 V CA 2.022 64.302 62.300 -0.033 0.000 1.016 395 V CB -1.482 30.372 31.823 0.051 0.000 0.650 395 V HN 0.519 nan 8.190 nan 0.000 0.449 396 G N 0.268 109.092 108.800 0.039 0.000 2.586 396 G HA2 -0.328 3.631 3.960 -0.001 0.000 0.218 396 G HA3 -0.328 3.631 3.960 -0.001 0.000 0.218 396 G C 1.196 176.072 174.900 -0.039 0.000 1.216 396 G CA 1.427 46.566 45.100 0.066 0.000 0.786 396 G HN 0.503 nan 8.290 nan 0.000 0.583 397 D N -0.255 120.124 120.400 -0.036 0.000 2.106 397 D HA -0.137 4.503 4.640 -0.001 0.000 0.191 397 D C 2.097 178.104 176.300 -0.489 0.000 0.997 397 D CA 1.589 55.522 54.000 -0.112 0.000 0.834 397 D CB -0.640 40.239 40.800 0.131 0.000 0.956 397 D HN 0.521 nan 8.370 nan 0.000 0.448 398 H N 0.069 118.578 119.070 -0.935 0.000 2.457 398 H HA 0.055 4.611 4.556 -0.001 0.000 0.294 398 H C 1.293 176.236 175.328 -0.641 0.000 1.064 398 H CA 1.445 56.751 56.048 -1.238 0.000 1.330 398 H CB 0.166 29.010 29.762 -1.532 0.000 1.395 398 H HN 0.014 nan 8.280 nan 0.000 0.541 399 N N -0.624 117.700 118.700 -0.626 0.000 2.294 399 N HA 0.007 4.747 4.740 -0.001 0.000 0.186 399 N C 1.414 176.709 175.510 -0.358 0.000 1.107 399 N CA 1.025 53.683 53.050 -0.653 0.000 0.884 399 N CB 1.561 39.425 38.487 -1.038 0.000 1.030 399 N HN 0.443 nan 8.380 nan 0.000 0.482 400 V N -2.216 117.577 119.914 -0.201 0.000 3.177 400 V HA 0.243 4.363 4.120 -0.001 0.000 0.220 400 V C 1.744 177.810 176.094 -0.045 0.000 1.395 400 V CA -0.048 62.233 62.300 -0.031 0.000 1.317 400 V CB -0.176 31.743 31.823 0.160 0.000 1.148 400 V HN -0.103 nan 8.190 nan 0.000 0.499 401 I N 1.203 121.757 120.570 -0.028 0.000 2.163 401 I HA -0.164 4.006 4.170 -0.001 0.000 0.240 401 I C 2.744 178.850 176.117 -0.018 0.000 1.081 401 I CA 1.981 63.283 61.300 0.003 0.000 1.353 401 I CB -0.816 37.221 38.000 0.062 0.000 1.054 401 I HN 0.402 nan 8.210 nan 0.000 0.407 402 c N 1.246 119.813 118.600 -0.056 0.000 2.453 402 c HA -0.030 4.539 4.570 -0.001 0.000 0.277 402 c C 0.316 174.379 174.090 -0.045 0.000 1.262 402 c CA 0.666 56.985 56.329 -0.018 0.000 1.718 402 c CB -2.133 40.389 42.510 0.020 0.000 2.031 402 c HN 0.396 nan 8.230 nan 0.000 0.480 403 P HA -0.102 nan 4.420 nan 0.000 0.218 403 P C 1.676 178.956 177.300 -0.032 0.000 1.149 403 P CA 1.175 64.195 63.100 -0.133 0.000 0.817 403 P CB -0.229 31.301 31.700 -0.282 0.000 0.785 404 L N -1.408 119.786 121.223 -0.050 0.000 2.007 404 L HA -0.102 4.238 4.340 -0.001 0.000 0.205 404 L C 2.194 179.087 176.870 0.039 0.000 1.073 404 L CA 1.674 56.501 54.840 -0.020 0.000 0.744 404 L CB -0.661 41.366 42.059 -0.053 0.000 0.898 404 L HN -0.175 nan 8.230 nan 0.000 0.435 405 M N -0.735 118.875 119.600 0.018 0.000 2.337 405 M HA -0.262 4.218 4.480 -0.001 0.000 0.261 405 M C 2.111 178.474 176.300 0.104 0.000 1.067 405 M CA 1.540 56.854 55.300 0.023 0.000 1.074 405 M CB -1.832 30.806 32.600 0.065 0.000 1.395 405 M HN 0.459 nan 8.290 nan 0.000 0.431 406 H N -0.126 118.967 119.070 0.038 0.000 2.276 406 H HA -0.149 4.406 4.556 -0.001 0.000 0.301 406 H C 1.832 177.222 175.328 0.104 0.000 1.073 406 H CA 2.029 58.117 56.048 0.066 0.000 1.311 406 H CB -0.499 29.289 29.762 0.043 0.000 1.379 406 H HN 0.254 nan 8.280 nan 0.000 0.494 407 F N 0.193 120.115 119.950 -0.046 0.000 2.161 407 F HA -0.192 4.335 4.527 -0.001 0.000 0.300 407 F C 2.293 178.005 175.800 -0.147 0.000 1.089 407 F CA 1.373 59.283 58.000 -0.150 0.000 1.282 407 F CB -0.731 38.182 39.000 -0.145 0.000 1.010 407 F HN 0.081 nan 8.300 nan 0.000 0.485 408 V N 1.096 121.003 119.914 -0.012 0.000 2.255 408 V HA -0.361 3.759 4.120 -0.001 0.000 0.247 408 V C 2.336 178.320 176.094 -0.184 0.000 1.051 408 V CA 2.439 64.594 62.300 -0.241 0.000 1.018 408 V CB -0.732 30.797 31.823 -0.490 0.000 0.641 408 V HN 0.426 nan 8.190 nan 0.000 0.445 409 N N -0.340 118.306 118.700 -0.089 0.000 2.149 409 N HA -0.162 4.578 4.740 -0.001 0.000 0.188 409 N C 1.815 177.338 175.510 0.021 0.000 1.019 409 N CA 1.170 54.254 53.050 0.056 0.000 0.857 409 N CB -0.100 38.458 38.487 0.119 0.000 0.997 409 N HN 0.497 nan 8.380 nan 0.000 0.426 410 K N 0.144 120.486 120.400 -0.097 0.000 2.044 410 K HA -0.101 4.219 4.320 -0.001 0.000 0.204 410 K C 1.858 178.517 176.600 0.098 0.000 1.049 410 K CA 0.572 56.842 56.287 -0.028 0.000 0.945 410 K CB -0.538 31.863 32.500 -0.164 0.000 0.724 410 K HN 0.255 nan 8.250 nan 0.000 0.440 411 Y N 2.430 122.570 120.300 -0.267 0.000 2.439 411 Y HA -0.176 4.374 4.550 -0.001 0.000 0.292 411 Y C 2.302 178.212 175.900 0.018 0.000 1.130 411 Y CA 1.654 59.594 58.100 -0.266 0.000 1.254 411 Y CB -0.107 37.799 38.460 -0.923 0.000 1.000 411 Y HN 0.147 nan 8.280 nan 0.000 0.554 412 T N -2.557 112.055 114.554 0.097 0.000 3.118 412 T HA -0.067 4.282 4.350 -0.001 0.000 0.260 412 T C 1.390 176.120 174.700 0.051 0.000 1.139 412 T CA 0.876 63.045 62.100 0.116 0.000 1.085 412 T CB -0.283 68.733 68.868 0.247 0.000 0.934 412 T HN 0.282 nan 8.240 nan 0.000 0.518 413 K N -0.378 120.060 120.400 0.063 0.000 2.459 413 K HA 0.273 4.593 4.320 -0.001 0.000 0.193 413 K C 0.178 176.602 176.600 -0.294 0.000 1.030 413 K CA 0.504 56.720 56.287 -0.120 0.000 1.026 413 K CB 0.109 32.496 32.500 -0.189 0.000 0.809 413 K HN 0.450 nan 8.250 nan 0.000 0.504 414 F N -1.443 118.428 119.950 -0.132 0.000 2.974 414 F HA 0.260 4.786 4.527 -0.001 0.000 0.357 414 F C 0.932 176.570 175.800 -0.270 0.000 1.114 414 F CA -0.824 57.062 58.000 -0.190 0.000 1.099 414 F CB 0.850 39.698 39.000 -0.254 0.000 1.205 414 F HN -0.114 nan 8.300 nan 0.000 0.535 415 G N -0.255 108.431 108.800 -0.189 0.000 2.552 415 G HA2 0.185 4.144 3.960 -0.001 0.000 0.318 415 G HA3 0.185 4.144 3.960 -0.001 0.000 0.318 415 G C -0.389 174.499 174.900 -0.019 0.000 1.240 415 G CA -0.612 44.330 45.100 -0.264 0.000 1.002 415 G HN 0.192 nan 8.290 nan 0.000 0.493 416 N N -0.106 118.644 118.700 0.084 0.000 2.575 416 N HA 0.426 5.165 4.740 -0.001 0.000 0.275 416 N C 0.243 175.828 175.510 0.125 0.000 1.202 416 N CA 0.323 53.424 53.050 0.086 0.000 0.945 416 N CB -0.118 38.415 38.487 0.076 0.000 1.247 416 N HN 0.969 nan 8.380 nan 0.000 0.510 417 G N 0.350 109.221 108.800 0.117 0.000 3.014 417 G HA2 -0.099 3.861 3.960 -0.001 0.000 0.683 417 G HA3 -0.099 3.861 3.960 -0.001 0.000 0.683 417 G C -0.959 173.986 174.900 0.074 0.000 1.271 417 G CA -1.000 44.142 45.100 0.070 0.000 0.843 417 G HN 0.085 nan 8.290 nan 0.000 0.612 418 T N 1.647 116.127 114.554 -0.123 0.000 2.879 418 T HA 0.636 4.985 4.350 -0.001 0.000 0.290 418 T C -1.154 173.375 174.700 -0.285 0.000 0.993 418 T CA -0.393 61.680 62.100 -0.046 0.000 0.975 418 T CB 1.287 70.221 68.868 0.109 0.000 0.981 418 T HN 0.503 nan 8.240 nan 0.000 0.439 419 Y N 2.348 122.668 120.300 0.034 0.000 2.328 419 Y HA 0.677 5.227 4.550 -0.001 0.000 0.336 419 Y C -0.383 175.668 175.900 0.252 0.000 0.960 419 Y CA -1.192 56.925 58.100 0.028 0.000 1.134 419 Y CB 1.468 39.579 38.460 -0.582 0.000 1.166 419 Y HN 0.445 nan 8.280 nan 0.000 0.464 420 L N 6.158 127.775 121.223 0.656 0.000 2.362 420 L HA 0.608 4.948 4.340 -0.001 0.000 0.275 420 L C -1.332 175.909 176.870 0.618 0.000 0.998 420 L CA -1.075 54.048 54.840 0.471 0.000 0.820 420 L CB 0.687 42.916 42.059 0.284 0.000 1.270 420 L HN 0.510 nan 8.230 nan 0.000 0.415 421 Y N 3.270 123.813 120.300 0.404 0.000 2.549 421 Y HA 0.754 5.304 4.550 -0.001 0.000 0.339 421 Y C -1.562 174.517 175.900 0.298 0.000 1.053 421 Y CA -1.962 56.293 58.100 0.259 0.000 1.105 421 Y CB 1.237 39.792 38.460 0.157 0.000 1.258 421 Y HN 0.556 nan 8.280 nan 0.000 0.478 422 F N 4.183 124.253 119.950 0.200 0.000 2.496 422 F HA 0.510 5.036 4.527 -0.001 0.000 0.341 422 F C -1.881 174.106 175.800 0.312 0.000 1.134 422 F CA -2.014 56.032 58.000 0.076 0.000 0.968 422 F CB 0.717 39.713 39.000 -0.007 0.000 1.205 422 F HN 0.570 nan 8.300 nan 0.000 0.436 423 F N 7.598 127.445 119.950 -0.171 0.000 2.394 423 F HA 0.415 4.942 4.527 -0.001 0.000 0.340 423 F C -0.161 175.388 175.800 -0.418 0.000 1.105 423 F CA -0.455 57.483 58.000 -0.103 0.000 1.124 423 F CB 0.947 40.005 39.000 0.096 0.000 1.145 423 F HN 0.568 nan 8.300 nan 0.000 0.505 424 N N 3.085 121.323 118.700 -0.769 0.000 2.581 424 N HA 0.081 4.821 4.740 -0.001 0.000 0.274 424 N C -1.708 173.477 175.510 -0.541 0.000 1.629 424 N CA -0.517 52.186 53.050 -0.580 0.000 0.884 424 N CB -0.824 37.498 38.487 -0.275 0.000 1.423 424 N HN 0.698 nan 8.380 nan 0.000 0.507 425 H N 0.286 118.687 119.070 -1.114 0.000 2.469 425 H HA 0.536 5.092 4.556 -0.001 0.000 0.342 425 H C -0.734 174.343 175.328 -0.419 0.000 1.115 425 H CA -0.455 55.174 56.048 -0.700 0.000 1.204 425 H CB 1.382 30.623 29.762 -0.869 0.000 1.492 425 H HN 0.039 nan 8.280 nan 0.000 0.499 426 R N 3.620 123.661 120.500 -0.764 0.000 2.207 426 R HA 0.459 4.798 4.340 -0.001 0.000 0.334 426 R C -0.589 175.376 176.300 -0.558 0.000 1.013 426 R CA -0.463 55.358 56.100 -0.466 0.000 0.858 426 R CB 0.486 30.616 30.300 -0.283 0.000 1.094 426 R HN 0.833 nan 8.270 nan 0.000 0.457 427 A N 2.282 125.038 122.820 -0.106 0.000 2.483 427 A HA 0.023 4.343 4.320 -0.001 0.000 0.238 427 A C 1.327 178.937 177.584 0.044 0.000 1.070 427 A CA 0.286 52.429 52.037 0.176 0.000 0.770 427 A CB 0.371 19.728 19.000 0.595 0.000 1.008 427 A HN 0.896 nan 8.150 nan 0.000 0.497 428 S N 0.940 116.708 115.700 0.114 0.000 2.447 428 S HA -0.138 4.331 4.470 -0.001 0.000 0.233 428 S C 0.807 175.380 174.600 -0.046 0.000 1.006 428 S CA 1.030 59.247 58.200 0.027 0.000 0.957 428 S CB -0.381 62.861 63.200 0.069 0.000 0.773 428 S HN 0.902 nan 8.310 nan 0.000 0.507 429 N N 0.913 119.548 118.700 -0.109 0.000 2.328 429 N HA 0.250 4.989 4.740 -0.001 0.000 0.247 429 N C -0.213 175.200 175.510 -0.161 0.000 1.165 429 N CA -0.355 52.580 53.050 -0.193 0.000 0.873 429 N CB -0.424 37.831 38.487 -0.387 0.000 1.125 429 N HN 0.385 nan 8.380 nan 0.000 0.513 430 L N 0.981 122.152 121.223 -0.088 0.000 2.461 430 L HA 0.046 4.385 4.340 -0.001 0.000 0.272 430 L C 1.441 178.226 176.870 -0.140 0.000 1.197 430 L CA -0.271 54.518 54.840 -0.084 0.000 0.836 430 L CB 1.135 43.148 42.059 -0.077 0.000 1.105 430 L HN 0.104 nan 8.230 nan 0.000 0.477 431 V N -0.769 119.002 119.914 -0.238 0.000 3.471 431 V HA 0.055 4.175 4.120 -0.001 0.000 0.258 431 V C 0.567 176.531 176.094 -0.218 0.000 1.192 431 V CA -0.487 61.638 62.300 -0.291 0.000 1.116 431 V CB -0.856 30.619 31.823 -0.579 0.000 0.792 431 V HN 0.616 nan 8.190 nan 0.000 0.459 432 W N 1.739 122.959 121.300 -0.133 0.000 2.126 432 W HA 0.487 5.147 4.660 -0.001 0.000 0.346 432 W C -1.956 174.433 176.519 -0.216 0.000 1.279 432 W CA -1.883 55.364 57.345 -0.163 0.000 1.259 432 W CB -0.190 29.010 29.460 -0.432 0.000 1.133 432 W HN 0.004 nan 8.180 nan 0.000 0.592 433 P HA -0.017 nan 4.420 nan 0.000 0.275 433 P C 0.492 177.682 177.300 -0.184 0.000 1.227 433 P CA 0.003 63.061 63.100 -0.070 0.000 0.781 433 P CB 1.358 33.058 31.700 -0.001 0.000 0.906 434 E N 3.216 123.389 120.200 -0.045 0.000 2.187 434 E HA -0.184 4.165 4.350 -0.001 0.000 0.199 434 E C 1.484 178.093 176.600 0.015 0.000 1.004 434 E CA 2.027 58.416 56.400 -0.018 0.000 0.813 434 E CB -0.780 28.950 29.700 0.051 0.000 0.736 434 E HN 0.747 nan 8.360 nan 0.000 0.468 435 W N -0.779 120.545 121.300 0.040 0.000 2.374 435 W HA -0.124 4.536 4.660 -0.001 0.000 0.288 435 W C 1.956 178.499 176.519 0.040 0.000 1.218 435 W CA 1.071 58.449 57.345 0.054 0.000 1.245 435 W CB -0.971 28.541 29.460 0.087 0.000 1.126 435 W HN 0.288 nan 8.180 nan 0.000 0.545 436 M N 1.348 120.567 119.600 -0.634 0.000 2.296 436 M HA 0.065 4.545 4.480 -0.001 0.000 0.265 436 M C 1.771 177.899 176.300 -0.286 0.000 1.064 436 M CA 2.044 56.939 55.300 -0.676 0.000 1.109 436 M CB -0.844 31.158 32.600 -0.997 0.000 1.396 436 M HN 0.216 nan 8.290 nan 0.000 0.430 437 G N 0.102 108.788 108.800 -0.190 0.000 2.550 437 G HA2 -0.281 3.679 3.960 -0.001 0.000 0.277 437 G HA3 -0.281 3.679 3.960 -0.001 0.000 0.277 437 G C -0.256 174.552 174.900 -0.152 0.000 1.190 437 G CA -0.312 44.720 45.100 -0.113 0.000 0.971 437 G HN 0.183 nan 8.290 nan 0.000 0.559 438 V N 2.086 121.943 119.914 -0.096 0.000 2.313 438 V HA 0.353 4.473 4.120 -0.001 0.000 0.252 438 V C 1.179 177.267 176.094 -0.011 0.000 1.112 438 V CA 0.078 62.349 62.300 -0.049 0.000 0.984 438 V CB -0.215 31.558 31.823 -0.083 0.000 1.157 438 V HN 0.519 nan 8.190 nan 0.000 0.493 439 I N 3.061 123.592 120.570 -0.066 0.000 2.779 439 I HA 0.115 4.284 4.170 -0.001 0.000 0.285 439 I C 0.944 177.158 176.117 0.161 0.000 1.134 439 I CA -0.436 60.802 61.300 -0.104 0.000 1.398 439 I CB 0.304 37.992 38.000 -0.521 0.000 1.404 439 I HN 0.604 nan 8.210 nan 0.000 0.587 440 H N 4.145 123.226 119.070 0.018 0.000 3.253 440 H HA 0.248 4.804 4.556 -0.001 0.000 0.250 440 H C 0.770 176.166 175.328 0.113 0.000 1.051 440 H CA 1.040 57.158 56.048 0.117 0.000 1.458 440 H CB -0.126 29.742 29.762 0.177 0.000 1.549 440 H HN 0.784 nan 8.280 nan 0.000 0.506 441 G N 3.453 112.281 108.800 0.046 0.000 2.551 441 G HA2 -0.263 3.697 3.960 -0.001 0.000 0.186 441 G HA3 -0.263 3.697 3.960 -0.001 0.000 0.186 441 G C 0.400 175.285 174.900 -0.025 0.000 1.002 441 G CA 0.048 45.104 45.100 -0.074 0.000 0.723 441 G HN 0.553 nan 8.290 nan 0.000 0.481 442 Y N 2.128 122.546 120.300 0.196 0.000 2.490 442 Y HA 0.164 4.714 4.550 -0.001 0.000 0.281 442 Y C 2.534 178.572 175.900 0.231 0.000 1.174 442 Y CA 1.147 59.416 58.100 0.283 0.000 1.295 442 Y CB 0.354 38.967 38.460 0.254 0.000 1.062 442 Y HN 0.477 nan 8.280 nan 0.000 0.522 443 E N 0.741 120.951 120.200 0.016 0.000 2.112 443 E HA -0.130 4.219 4.350 -0.001 0.000 0.190 443 E C 1.846 178.350 176.600 -0.159 0.000 0.979 443 E CA 0.947 57.070 56.400 -0.461 0.000 0.814 443 E CB -0.659 28.547 29.700 -0.824 0.000 0.762 443 E HN 0.511 nan 8.360 nan 0.000 0.460 444 I N 2.858 123.422 120.570 -0.010 0.000 2.121 444 I HA -0.369 3.801 4.170 -0.001 0.000 0.243 444 I C 2.779 178.900 176.117 0.006 0.000 1.047 444 I CA 2.499 63.822 61.300 0.038 0.000 1.308 444 I CB -0.807 37.270 38.000 0.129 0.000 1.015 444 I HN 0.306 nan 8.210 nan 0.000 0.410 445 E N 0.893 121.101 120.200 0.013 0.000 2.267 445 E HA -0.239 4.111 4.350 -0.001 0.000 0.197 445 E C 2.013 178.494 176.600 -0.199 0.000 0.998 445 E CA 1.520 57.866 56.400 -0.090 0.000 0.830 445 E CB -0.438 29.215 29.700 -0.078 0.000 0.751 445 E HN 0.477 nan 8.360 nan 0.000 0.491 446 F N 1.040 120.871 119.950 -0.198 0.000 2.219 446 F HA -0.016 4.511 4.527 -0.001 0.000 0.294 446 F C 2.454 178.083 175.800 -0.284 0.000 1.086 446 F CA 0.610 58.459 58.000 -0.250 0.000 1.330 446 F CB -0.229 38.636 39.000 -0.226 0.000 1.047 446 F HN -0.150 nan 8.300 nan 0.000 0.495 447 V N -0.952 118.877 119.914 -0.142 0.000 2.407 447 V HA -0.286 3.833 4.120 -0.001 0.000 0.248 447 V C 1.519 177.517 176.094 -0.159 0.000 1.055 447 V CA 1.539 63.652 62.300 -0.313 0.000 1.049 447 V CB -0.698 30.925 31.823 -0.333 0.000 0.662 447 V HN 0.184 nan 8.190 nan 0.000 0.455 448 F N 0.638 120.438 119.950 -0.249 0.000 2.663 448 F HA 0.444 4.970 4.527 -0.001 0.000 0.299 448 F C 1.704 177.368 175.800 -0.226 0.000 1.143 448 F CA 0.314 58.189 58.000 -0.208 0.000 1.387 448 F CB -0.345 38.503 39.000 -0.252 0.000 1.019 448 F HN 0.248 nan 8.300 nan 0.000 0.523 449 G N 0.126 108.818 108.800 -0.181 0.000 2.198 449 G HA2 -0.313 3.647 3.960 -0.001 0.000 0.260 449 G HA3 -0.313 3.647 3.960 -0.001 0.000 0.260 449 G C 0.963 175.488 174.900 -0.625 0.000 1.025 449 G CA 0.365 45.277 45.100 -0.313 0.000 0.769 449 G HN 0.282 nan 8.290 nan 0.000 0.507 450 L N 0.169 121.017 121.223 -0.626 0.000 2.179 450 L HA 0.138 4.477 4.340 -0.001 0.000 0.208 450 L C -0.099 176.344 176.870 -0.712 0.000 1.096 450 L CA 1.638 56.063 54.840 -0.691 0.000 0.779 450 L CB -1.198 40.578 42.059 -0.471 0.000 0.922 450 L HN 0.104 nan 8.230 nan 0.000 0.443 451 P HA -0.095 nan 4.420 nan 0.000 0.240 451 P C 1.273 178.330 177.300 -0.404 0.000 1.186 451 P CA 0.797 63.363 63.100 -0.890 0.000 0.755 451 P CB 0.065 31.105 31.700 -1.100 0.000 0.870 452 L N -2.289 118.714 121.223 -0.367 0.000 2.408 452 L HA 0.074 4.413 4.340 -0.001 0.000 0.215 452 L C 0.843 177.623 176.870 -0.150 0.000 1.081 452 L CA 0.580 55.298 54.840 -0.204 0.000 0.840 452 L CB -1.110 40.865 42.059 -0.141 0.000 1.002 452 L HN -0.202 nan 8.230 nan 0.000 0.468 453 V N 2.118 121.905 119.914 -0.212 0.000 2.446 453 V HA 0.048 4.167 4.120 -0.001 0.000 0.276 453 V C 1.628 177.695 176.094 -0.045 0.000 1.030 453 V CA -0.277 61.959 62.300 -0.108 0.000 1.033 453 V CB 0.532 32.262 31.823 -0.155 0.000 0.993 453 V HN 0.264 nan 8.190 nan 0.000 0.477 454 K N 2.871 123.257 120.400 -0.022 0.000 2.148 454 K HA -0.093 4.227 4.320 -0.001 0.000 0.204 454 K C 2.060 178.656 176.600 -0.006 0.000 1.050 454 K CA 0.953 57.237 56.287 -0.005 0.000 0.942 454 K CB -0.107 32.389 32.500 -0.006 0.000 0.724 454 K HN 0.686 nan 8.250 nan 0.000 0.446 455 E N 1.282 121.473 120.200 -0.014 0.000 2.171 455 E HA -0.156 4.193 4.350 -0.001 0.000 0.197 455 E C 1.686 178.266 176.600 -0.035 0.000 0.997 455 E CA 1.339 57.726 56.400 -0.022 0.000 0.810 455 E CB -0.797 28.891 29.700 -0.020 0.000 0.738 455 E HN 0.522 nan 8.360 nan 0.000 0.467 456 L N -0.729 120.479 121.223 -0.026 0.000 2.737 456 L HA 0.423 4.763 4.340 -0.001 0.000 0.236 456 L C -0.175 176.626 176.870 -0.116 0.000 1.219 456 L CA -0.453 54.353 54.840 -0.057 0.000 1.021 456 L CB -1.476 40.554 42.059 -0.049 0.000 1.291 456 L HN -0.064 nan 8.230 nan 0.000 0.470 457 N N -0.489 118.167 118.700 -0.072 0.000 2.629 457 N HA -0.251 4.489 4.740 -0.001 0.000 0.278 457 N C -0.690 174.721 175.510 -0.164 0.000 1.102 457 N CA 0.739 53.730 53.050 -0.098 0.000 0.759 457 N CB -1.220 37.182 38.487 -0.142 0.000 0.911 457 N HN 0.504 nan 8.380 nan 0.000 0.553 458 Y N -0.545 119.721 120.300 -0.057 0.000 2.618 458 Y HA 0.571 5.121 4.550 -0.001 0.000 0.326 458 Y C 1.364 177.265 175.900 0.001 0.000 1.168 458 Y CA -0.532 57.548 58.100 -0.032 0.000 1.269 458 Y CB 1.003 39.410 38.460 -0.088 0.000 1.388 458 Y HN 0.194 nan 8.280 nan 0.000 0.528 459 T N -2.006 112.692 114.554 0.240 0.000 2.927 459 T HA 0.540 4.890 4.350 -0.001 0.000 0.281 459 T C 0.962 175.738 174.700 0.126 0.000 0.998 459 T CA -0.271 61.916 62.100 0.145 0.000 1.019 459 T CB 1.500 70.453 68.868 0.142 0.000 1.061 459 T HN 0.749 nan 8.240 nan 0.000 0.518 460 A N 0.726 123.594 122.820 0.081 0.000 1.940 460 A HA -0.077 4.243 4.320 -0.001 0.000 0.219 460 A C 2.287 179.908 177.584 0.061 0.000 1.176 460 A CA 1.757 53.828 52.037 0.057 0.000 0.631 460 A CB -1.203 17.822 19.000 0.041 0.000 0.814 460 A HN 0.876 nan 8.150 nan 0.000 0.446 461 E N -0.207 120.040 120.200 0.078 0.000 2.204 461 E HA -0.162 4.188 4.350 -0.001 0.000 0.194 461 E C 1.760 178.409 176.600 0.082 0.000 0.989 461 E CA 1.177 57.617 56.400 0.068 0.000 0.824 461 E CB -0.478 29.262 29.700 0.066 0.000 0.756 461 E HN 0.888 nan 8.360 nan 0.000 0.477 462 E N 0.210 120.500 120.200 0.149 0.000 2.107 462 E HA -0.161 4.188 4.350 -0.001 0.000 0.191 462 E C 2.311 178.965 176.600 0.090 0.000 0.982 462 E CA 0.983 57.535 56.400 0.254 0.000 0.809 462 E CB -0.092 29.848 29.700 0.401 0.000 0.756 462 E HN 0.471 nan 8.360 nan 0.000 0.459 463 E N 0.856 121.056 120.200 -0.000 0.000 2.038 463 E HA -0.254 4.096 4.350 -0.001 0.000 0.195 463 E C 2.075 178.660 176.600 -0.025 0.000 1.000 463 E CA 1.182 57.539 56.400 -0.073 0.000 0.803 463 E CB -0.084 29.590 29.700 -0.043 0.000 0.750 463 E HN 0.214 nan 8.360 nan 0.000 0.448 464 A N 1.143 123.971 122.820 0.013 0.000 1.908 464 A HA -0.190 4.130 4.320 -0.001 0.000 0.218 464 A C 2.164 179.773 177.584 0.042 0.000 1.181 464 A CA 1.465 53.512 52.037 0.017 0.000 0.627 464 A CB -0.716 18.297 19.000 0.021 0.000 0.818 464 A HN 0.399 nan 8.150 nan 0.000 0.445 465 L N -0.144 121.128 121.223 0.081 0.000 2.083 465 L HA -0.095 4.245 4.340 -0.001 0.000 0.209 465 L C 2.542 179.521 176.870 0.181 0.000 1.083 465 L CA 2.526 57.433 54.840 0.110 0.000 0.752 465 L CB -0.710 41.366 42.059 0.029 0.000 0.899 465 L HN 0.356 nan 8.230 nan 0.000 0.433 466 S N -0.773 115.052 115.700 0.208 0.000 2.383 466 S HA -0.154 4.316 4.470 -0.001 0.000 0.227 466 S C 2.153 176.761 174.600 0.014 0.000 1.026 466 S CA 1.072 59.331 58.200 0.098 0.000 0.981 466 S CB -0.185 62.912 63.200 -0.171 0.000 0.818 466 S HN 0.568 nan 8.310 nan 0.000 0.472 467 R N 0.379 120.882 120.500 0.006 0.000 2.073 467 R HA 0.095 4.434 4.340 -0.001 0.000 0.229 467 R C 2.724 179.035 176.300 0.020 0.000 1.120 467 R CA 1.193 57.293 56.100 0.000 0.000 0.967 467 R CB -0.303 29.985 30.300 -0.020 0.000 0.862 467 R HN 0.380 nan 8.270 nan 0.000 0.436 468 R N 0.546 121.057 120.500 0.018 0.000 2.091 468 R HA -0.106 4.234 4.340 -0.001 0.000 0.238 468 R C 2.336 178.710 176.300 0.124 0.000 1.136 468 R CA 1.360 57.445 56.100 -0.025 0.000 0.959 468 R CB -0.324 30.017 30.300 0.069 0.000 0.856 468 R HN 0.193 nan 8.270 nan 0.000 0.437 469 I N 0.893 121.586 120.570 0.205 0.000 2.090 469 I HA -0.308 3.861 4.170 -0.001 0.000 0.236 469 I C 2.484 178.714 176.117 0.188 0.000 1.064 469 I CA 1.671 63.104 61.300 0.221 0.000 1.324 469 I CB -0.673 37.237 38.000 -0.151 0.000 1.044 469 I HN 0.259 nan 8.210 nan 0.000 0.399 470 M N -0.549 119.068 119.600 0.029 0.000 2.192 470 M HA -0.288 4.192 4.480 -0.001 0.000 0.259 470 M C 2.356 178.777 176.300 0.203 0.000 1.071 470 M CA 1.850 57.179 55.300 0.048 0.000 1.082 470 M CB -0.926 31.675 32.600 0.000 0.000 1.373 470 M HN 0.293 nan 8.290 nan 0.000 0.408 471 H N -0.235 118.890 119.070 0.092 0.000 2.276 471 H HA -0.147 4.408 4.556 -0.001 0.000 0.301 471 H C 1.658 177.110 175.328 0.206 0.000 1.073 471 H CA 2.114 58.205 56.048 0.072 0.000 1.311 471 H CB -0.303 29.425 29.762 -0.057 0.000 1.379 471 H HN 0.261 nan 8.280 nan 0.000 0.494 472 Y N -0.580 119.936 120.300 0.359 0.000 2.181 472 Y HA -0.326 4.224 4.550 -0.001 0.000 0.284 472 Y C 2.605 178.645 175.900 0.233 0.000 1.179 472 Y CA 1.509 59.798 58.100 0.315 0.000 1.179 472 Y CB -0.789 38.054 38.460 0.638 0.000 0.973 472 Y HN 0.415 nan 8.280 nan 0.000 0.519 473 W N -0.780 120.622 121.300 0.170 0.000 2.380 473 W HA -0.185 4.475 4.660 -0.000 0.000 0.317 473 W C 2.631 179.155 176.519 0.009 0.000 1.196 473 W CA 1.274 58.662 57.345 0.071 0.000 1.307 473 W CB -0.677 28.799 29.460 0.028 0.000 1.157 473 W HN 0.056 nan 8.180 nan 0.000 0.483 474 A N 0.125 123.044 122.820 0.165 0.000 1.873 474 A HA -0.174 4.146 4.320 -0.001 0.000 0.215 474 A C 1.817 179.354 177.584 -0.079 0.000 1.186 474 A CA 2.374 54.411 52.037 0.001 0.000 0.616 474 A CB -1.343 17.641 19.000 -0.027 0.000 0.823 474 A HN 0.228 nan 8.150 nan 0.000 0.442 475 T N -0.667 113.776 114.554 -0.185 0.000 2.737 475 T HA -0.176 4.173 4.350 -0.001 0.000 0.269 475 T C 1.565 176.192 174.700 -0.121 0.000 1.040 475 T CA 1.732 63.693 62.100 -0.232 0.000 1.142 475 T CB -0.408 68.204 68.868 -0.427 0.000 0.861 475 T HN 0.519 nan 8.240 nan 0.000 0.456 476 F N 2.101 121.918 119.950 -0.222 0.000 2.186 476 F HA 0.115 4.642 4.527 -0.001 0.000 0.299 476 F C 2.343 178.030 175.800 -0.189 0.000 1.090 476 F CA 0.781 58.614 58.000 -0.278 0.000 1.307 476 F CB -0.558 38.201 39.000 -0.401 0.000 1.019 476 F HN 0.130 nan 8.300 nan 0.000 0.489 477 A N 0.661 123.395 122.820 -0.143 0.000 2.186 477 A HA -0.183 4.137 4.320 -0.001 0.000 0.219 477 A C 2.013 179.454 177.584 -0.239 0.000 1.159 477 A CA 1.972 53.892 52.037 -0.195 0.000 0.680 477 A CB -0.700 18.252 19.000 -0.079 0.000 0.787 477 A HN 0.689 nan 8.150 nan 0.000 0.467 478 K N -3.589 116.666 120.400 -0.242 0.000 2.418 478 K HA 0.120 4.439 4.320 -0.001 0.000 0.208 478 K C 1.568 178.040 176.600 -0.212 0.000 1.261 478 K CA 0.786 56.963 56.287 -0.184 0.000 0.874 478 K CB -0.495 31.934 32.500 -0.119 0.000 1.451 478 K HN 0.022 nan 8.250 nan 0.000 0.466 479 T N 0.559 114.986 114.554 -0.212 0.000 2.929 479 T HA 0.001 4.351 4.350 -0.001 0.000 0.271 479 T C 1.396 175.947 174.700 -0.247 0.000 1.085 479 T CA 1.602 63.591 62.100 -0.185 0.000 1.125 479 T CB -0.402 68.375 68.868 -0.151 0.000 0.874 479 T HN 0.704 nan 8.240 nan 0.000 0.494 480 G N 1.866 110.381 108.800 -0.474 0.000 2.176 480 G HA2 -0.269 3.691 3.960 -0.001 0.000 0.253 480 G HA3 -0.269 3.691 3.960 -0.001 0.000 0.253 480 G C 0.037 174.750 174.900 -0.312 0.000 0.979 480 G CA 0.287 45.081 45.100 -0.510 0.000 0.641 480 G HN 0.831 nan 8.290 nan 0.000 0.530 481 N N -0.712 117.829 118.700 -0.264 0.000 2.331 481 N HA 0.647 5.387 4.740 -0.001 0.000 0.280 481 N C -1.981 173.373 175.510 -0.261 0.000 1.155 481 N CA -1.225 51.668 53.050 -0.263 0.000 0.822 481 N CB 2.353 40.762 38.487 -0.131 0.000 1.619 481 N HN -0.124 nan 8.380 nan 0.000 0.476 482 P HA 0.012 nan 4.420 nan 0.000 0.226 482 P C -0.913 176.422 177.300 0.059 0.000 1.161 482 P CA 0.707 63.635 63.100 -0.288 0.000 0.804 482 P CB -0.045 31.123 31.700 -0.887 0.000 0.829 483 N N 0.254 118.983 118.700 0.047 0.000 2.443 483 N HA 0.219 4.958 4.740 -0.001 0.000 0.295 483 N C 0.003 175.584 175.510 0.118 0.000 1.076 483 N CA -0.399 52.794 53.050 0.238 0.000 0.919 483 N CB 1.579 40.268 38.487 0.337 0.000 1.176 483 N HN -0.071 nan 8.380 nan 0.000 0.487 491 K N 1.642 122.185 120.400 0.237 0.000 2.298 491 K HA 0.143 4.463 4.320 -0.001 0.000 0.280 491 K C -0.899 175.922 176.600 0.369 0.000 1.032 491 K CA -0.129 56.333 56.287 0.291 0.000 0.958 491 K CB 0.562 33.193 32.500 0.219 0.000 0.978 491 K HN 0.393 nan 8.250 nan 0.000 0.472 492 W N 6.427 127.849 121.300 0.203 0.000 2.357 492 W HA 0.243 4.903 4.660 -0.001 0.000 0.317 492 W C -2.461 174.220 176.519 0.269 0.000 1.101 492 W CA -2.944 54.521 57.345 0.200 0.000 1.380 492 W CB -0.227 29.309 29.460 0.126 0.000 1.266 492 W HN 0.397 nan 8.180 nan 0.000 0.419 493 P HA 0.048 nan 4.420 nan 0.000 0.270 493 P C -0.238 177.260 177.300 0.329 0.000 1.227 493 P CA 0.065 63.377 63.100 0.353 0.000 0.788 493 P CB 0.899 32.728 31.700 0.216 0.000 0.926 494 L N 0.863 122.140 121.223 0.091 0.000 2.375 494 L HA 0.332 4.672 4.340 -0.001 0.000 0.271 494 L C 0.598 177.472 176.870 0.008 0.000 1.107 494 L CA -0.666 54.074 54.840 -0.166 0.000 0.806 494 L CB 0.147 42.095 42.059 -0.184 0.000 1.146 494 L HN 0.286 nan 8.230 nan 0.000 0.447 495 F N 1.616 121.520 119.950 -0.077 0.000 2.443 495 F HA 0.372 4.899 4.527 -0.001 0.000 0.353 495 F C -0.064 175.735 175.800 -0.003 0.000 1.101 495 F CA 0.006 58.026 58.000 0.033 0.000 1.226 495 F CB 0.864 39.903 39.000 0.064 0.000 1.140 495 F HN 0.364 nan 8.300 nan 0.000 0.557 496 T N 2.422 116.583 114.554 -0.655 0.000 2.956 496 T HA 0.159 4.509 4.350 -0.001 0.000 0.312 496 T C 0.451 174.851 174.700 -0.500 0.000 1.151 496 T CA -0.344 61.548 62.100 -0.347 0.000 1.024 496 T CB 1.509 70.262 68.868 -0.191 0.000 1.140 496 T HN 0.587 nan 8.240 nan 0.000 0.473 497 T N -0.616 113.838 114.554 -0.167 0.000 3.320 497 T HA 0.034 4.384 4.350 -0.001 0.000 0.262 497 T C 1.161 175.814 174.700 -0.078 0.000 1.187 497 T CA 0.567 62.632 62.100 -0.058 0.000 1.038 497 T CB 0.086 68.980 68.868 0.042 0.000 0.939 497 T HN 0.316 nan 8.240 nan 0.000 0.550 498 K N 1.547 121.868 120.400 -0.133 0.000 2.409 498 K HA 0.235 4.554 4.320 -0.001 0.000 0.237 498 K C 1.369 177.914 176.600 -0.091 0.000 1.083 498 K CA 1.059 57.297 56.287 -0.081 0.000 0.914 498 K CB -0.109 32.352 32.500 -0.065 0.000 1.300 498 K HN 0.337 nan 8.250 nan 0.000 0.454 499 E N 3.271 123.402 120.200 -0.114 0.000 2.427 499 E HA 0.115 4.465 4.350 -0.001 0.000 0.259 499 E C -0.635 175.873 176.600 -0.153 0.000 1.267 499 E CA -0.412 55.933 56.400 -0.092 0.000 1.425 499 E CB -0.745 28.918 29.700 -0.062 0.000 1.482 499 E HN 0.296 nan 8.360 nan 0.000 0.460 500 Q N 1.337 120.990 119.800 -0.245 0.000 2.443 500 Q HA -0.106 4.234 4.340 -0.001 0.000 0.220 500 Q C -0.199 175.750 176.000 -0.084 0.000 1.142 500 Q CA 0.582 56.101 55.803 -0.473 0.000 1.011 500 Q CB -0.998 27.592 28.738 -0.247 0.000 1.467 500 Q HN 0.413 nan 8.270 nan 0.000 0.450 501 K N 1.919 122.268 120.400 -0.083 0.000 2.202 501 K HA 0.430 4.750 4.320 -0.001 0.000 0.264 501 K C -0.190 176.620 176.600 0.349 0.000 1.010 501 K CA -0.071 56.261 56.287 0.076 0.000 0.940 501 K CB 0.453 32.972 32.500 0.032 0.000 0.983 501 K HN 0.376 nan 8.250 nan 0.000 0.475 502 F N -0.239 119.850 119.950 0.231 0.000 2.779 502 F HA 0.596 5.122 4.527 -0.001 0.000 0.316 502 F C -1.283 174.607 175.800 0.150 0.000 1.164 502 F CA -1.517 56.637 58.000 0.258 0.000 0.924 502 F CB 0.632 39.788 39.000 0.261 0.000 1.348 502 F HN 0.373 nan 8.300 nan 0.000 0.467 503 I N -1.074 119.607 120.570 0.186 0.000 2.892 503 I HA 0.608 4.778 4.170 -0.001 0.000 0.306 503 I C -1.342 174.916 176.117 0.235 0.000 1.078 503 I CA -0.957 60.340 61.300 -0.007 0.000 1.032 503 I CB 2.188 39.995 38.000 -0.322 0.000 1.229 503 I HN 0.535 nan 8.210 nan 0.000 0.435 504 D N 3.651 124.183 120.400 0.220 0.000 2.225 504 D HA 0.354 4.993 4.640 -0.001 0.000 0.249 504 D C -0.926 175.464 176.300 0.150 0.000 1.052 504 D CA -0.286 53.891 54.000 0.295 0.000 0.909 504 D CB 2.847 43.809 40.800 0.271 0.000 1.186 504 D HN 0.276 nan 8.370 nan 0.000 0.431 505 L N 2.936 124.265 121.223 0.176 0.000 2.313 505 L HA 0.254 4.594 4.340 -0.001 0.000 0.273 505 L C -0.957 175.962 176.870 0.082 0.000 1.028 505 L CA -0.307 54.615 54.840 0.137 0.000 0.871 505 L CB -0.281 41.923 42.059 0.241 0.000 1.242 505 L HN 0.476 nan 8.230 nan 0.000 0.434 506 N N -0.116 118.595 118.700 0.018 0.000 3.243 506 N HA 0.316 5.055 4.740 -0.001 0.000 0.280 506 N C 0.387 175.851 175.510 -0.077 0.000 1.545 506 N CA -0.133 52.853 53.050 -0.107 0.000 0.854 506 N CB 0.264 38.702 38.487 -0.083 0.000 1.612 506 N HN 0.096 nan 8.380 nan 0.000 0.577 507 T N -3.798 110.669 114.554 -0.145 0.000 3.155 507 T HA 0.079 4.429 4.350 -0.001 0.000 0.264 507 T C 0.113 174.818 174.700 0.010 0.000 1.160 507 T CA 0.400 62.453 62.100 -0.077 0.000 1.075 507 T CB -0.471 68.341 68.868 -0.092 0.000 0.921 507 T HN 0.403 nan 8.240 nan 0.000 0.533 508 E N 1.589 121.808 120.200 0.031 0.000 2.222 508 E HA 0.418 4.768 4.350 -0.001 0.000 0.267 508 E C -2.833 173.803 176.600 0.061 0.000 0.963 508 E CA -2.302 54.128 56.400 0.051 0.000 0.837 508 E CB 1.048 30.784 29.700 0.061 0.000 1.183 508 E HN 0.232 nan 8.360 nan 0.000 0.403 509 P HA -0.064 nan 4.420 nan 0.000 0.251 509 P C -0.234 177.112 177.300 0.078 0.000 1.154 509 P CA 0.304 63.446 63.100 0.069 0.000 0.805 509 P CB -0.528 31.206 31.700 0.057 0.000 0.759 510 M N 2.072 121.730 119.600 0.096 0.000 2.240 510 M HA 0.048 4.528 4.480 -0.001 0.000 0.346 510 M C 0.083 176.422 176.300 0.065 0.000 1.236 510 M CA 0.929 56.283 55.300 0.089 0.000 0.986 510 M CB 0.138 32.786 32.600 0.080 0.000 1.786 510 M HN 0.123 nan 8.290 nan 0.000 0.457 511 K N 3.193 123.632 120.400 0.065 0.000 2.345 511 K HA 0.648 4.967 4.320 -0.001 0.000 0.255 511 K C -1.709 174.856 176.600 -0.058 0.000 0.934 511 K CA -0.908 55.367 56.287 -0.020 0.000 0.801 511 K CB 1.653 34.155 32.500 0.003 0.000 1.137 511 K HN 0.717 nan 8.250 nan 0.000 0.424 512 V N 4.138 123.960 119.914 -0.153 0.000 2.607 512 V HA 0.261 4.381 4.120 -0.001 0.000 0.289 512 V C -0.401 175.430 176.094 -0.437 0.000 1.053 512 V CA -0.249 61.938 62.300 -0.189 0.000 0.996 512 V CB 0.989 32.754 31.823 -0.095 0.000 0.995 512 V HN 0.827 nan 8.190 nan 0.000 0.476 513 H N 1.663 120.361 119.070 -0.620 0.000 2.949 513 H HA 0.695 5.250 4.556 -0.001 0.000 0.310 513 H C -0.602 174.380 175.328 -0.576 0.000 1.405 513 H CA -0.693 54.994 56.048 -0.601 0.000 1.253 513 H CB 1.383 30.634 29.762 -0.852 0.000 1.932 513 H HN 0.609 nan 8.280 nan 0.000 0.602 514 Q N -0.068 119.681 119.800 -0.084 0.000 2.552 514 Q HA 0.468 4.807 4.340 -0.001 0.000 0.289 514 Q C -0.685 175.513 176.000 0.331 0.000 1.097 514 Q CA -1.236 54.624 55.803 0.095 0.000 0.812 514 Q CB 2.200 30.963 28.738 0.042 0.000 1.460 514 Q HN 0.452 nan 8.270 nan 0.000 0.452 515 R N 0.747 121.435 120.500 0.313 0.000 2.800 515 R HA -0.220 4.120 4.340 -0.001 0.000 0.246 515 R C -0.533 175.930 176.300 0.272 0.000 0.855 515 R CA 0.036 56.306 56.100 0.283 0.000 0.631 515 R CB -1.779 28.624 30.300 0.173 0.000 1.386 515 R HN 0.541 nan 8.270 nan 0.000 0.519 516 L N 2.960 124.313 121.223 0.218 0.000 2.540 516 L HA -0.030 4.310 4.340 -0.001 0.000 0.276 516 L C 0.718 177.584 176.870 -0.007 0.000 1.212 516 L CA 0.280 55.046 54.840 -0.124 0.000 0.893 516 L CB 0.292 42.065 42.059 -0.477 0.000 1.138 516 L HN 0.493 nan 8.230 nan 0.000 0.491 517 R N 2.588 123.082 120.500 -0.009 0.000 3.266 517 R HA -0.197 4.143 4.340 -0.001 0.000 0.245 517 R C 0.786 177.164 176.300 0.129 0.000 0.941 517 R CA 0.912 57.061 56.100 0.081 0.000 0.638 517 R CB -2.617 27.758 30.300 0.124 0.000 1.019 517 R HN 0.651 nan 8.270 nan 0.000 0.462 518 V N 0.441 120.428 119.914 0.121 0.000 2.358 518 V HA -0.275 3.844 4.120 -0.001 0.000 0.246 518 V C 2.225 178.405 176.094 0.142 0.000 1.047 518 V CA 2.130 64.513 62.300 0.139 0.000 1.035 518 V CB 0.055 31.955 31.823 0.128 0.000 0.658 518 V HN 0.545 nan 8.190 nan 0.000 0.452 519 Q N -0.907 118.962 119.800 0.115 0.000 2.119 519 Q HA -0.156 4.184 4.340 -0.001 0.000 0.201 519 Q C 2.203 178.287 176.000 0.140 0.000 0.972 519 Q CA 1.593 57.454 55.803 0.097 0.000 0.847 519 Q CB -0.297 28.465 28.738 0.041 0.000 0.903 519 Q HN 0.544 nan 8.270 nan 0.000 0.433 520 M N -0.074 119.642 119.600 0.193 0.000 2.236 520 M HA -0.061 4.419 4.480 -0.001 0.000 0.266 520 M C 2.275 178.877 176.300 0.505 0.000 1.070 520 M CA 0.733 56.236 55.300 0.338 0.000 1.137 520 M CB -0.717 32.133 32.600 0.417 0.000 1.378 520 M HN 0.262 nan 8.290 nan 0.000 0.426 521 c N 0.296 119.124 118.600 0.380 0.000 2.437 521 c HA -0.021 4.548 4.570 -0.001 0.000 0.283 521 c C 2.942 177.216 174.090 0.307 0.000 1.424 521 c CA 0.206 56.752 56.329 0.363 0.000 1.782 521 c CB -1.029 41.632 42.510 0.251 0.000 1.833 521 c HN 0.315 nan 8.230 nan 0.000 0.532 522 V N 0.580 120.654 119.914 0.266 0.000 2.270 522 V HA -0.204 3.916 4.120 -0.001 0.000 0.245 522 V C 2.118 178.370 176.094 0.263 0.000 1.043 522 V CA 2.208 64.643 62.300 0.225 0.000 1.014 522 V CB -0.846 31.083 31.823 0.177 0.000 0.645 522 V HN 0.511 nan 8.190 nan 0.000 0.447 523 F N 0.024 120.054 119.950 0.134 0.000 2.091 523 F HA -0.239 4.287 4.527 -0.000 0.000 0.299 523 F C 1.975 177.844 175.800 0.116 0.000 1.103 523 F CA 1.757 59.807 58.000 0.084 0.000 1.228 523 F CB -0.519 38.408 39.000 -0.122 0.000 0.984 523 F HN 0.187 nan 8.300 nan 0.000 0.477 524 W N 0.164 121.441 121.300 -0.039 0.000 2.453 524 W HA -0.069 4.591 4.660 -0.001 0.000 0.289 524 W C 2.167 178.619 176.519 -0.113 0.000 1.215 524 W CA 0.701 57.949 57.345 -0.161 0.000 1.297 524 W CB -0.432 29.068 29.460 0.067 0.000 1.113 524 W HN -0.097 nan 8.180 nan 0.000 0.551 525 N N -0.673 118.157 118.700 0.216 0.000 2.424 525 N HA -0.068 4.672 4.740 -0.001 0.000 0.178 525 N C 1.377 176.908 175.510 0.035 0.000 1.060 525 N CA 0.991 54.082 53.050 0.069 0.000 0.901 525 N CB 0.052 38.593 38.487 0.089 0.000 0.979 525 N HN 0.171 nan 8.380 nan 0.000 0.451 526 Q N -1.377 118.468 119.800 0.074 0.000 2.563 526 Q HA 0.229 4.569 4.340 -0.001 0.000 0.236 526 Q C 1.516 177.543 176.000 0.045 0.000 0.792 526 Q CA -0.370 55.475 55.803 0.069 0.000 0.960 526 Q CB -0.403 28.410 28.738 0.124 0.000 1.304 526 Q HN 0.344 nan 8.270 nan 0.000 0.566 527 F N 1.792 121.715 119.950 -0.045 0.000 2.031 527 F HA 0.001 4.527 4.527 -0.001 0.000 0.295 527 F C 2.035 177.758 175.800 -0.130 0.000 1.133 527 F CA 1.617 59.587 58.000 -0.050 0.000 1.188 527 F CB -0.605 38.434 39.000 0.065 0.000 0.974 527 F HN 0.163 nan 8.300 nan 0.000 0.473 528 L N 0.379 121.319 121.223 -0.472 0.000 1.963 528 L HA -0.255 4.085 4.340 -0.001 0.000 0.220 528 L C -0.401 176.275 176.870 -0.324 0.000 1.076 528 L CA 2.255 56.794 54.840 -0.502 0.000 0.772 528 L CB -1.846 39.841 42.059 -0.619 0.000 0.892 528 L HN 0.117 nan 8.230 nan 0.000 0.435 529 P HA -0.259 nan 4.420 nan 0.000 0.218 529 P C 1.257 178.462 177.300 -0.159 0.000 1.154 529 P CA 1.727 64.750 63.100 -0.129 0.000 0.872 529 P CB -0.115 31.531 31.700 -0.090 0.000 0.790 530 K N -0.724 119.546 120.400 -0.216 0.000 2.155 530 K HA -0.086 4.233 4.320 -0.001 0.000 0.203 530 K C 2.064 178.509 176.600 -0.259 0.000 1.052 530 K CA 0.674 56.839 56.287 -0.204 0.000 0.948 530 K CB -0.517 31.876 32.500 -0.178 0.000 0.728 530 K HN 0.086 nan 8.250 nan 0.000 0.448 531 L N 0.810 121.782 121.223 -0.418 0.000 2.095 531 L HA -0.068 4.272 4.340 -0.001 0.000 0.204 531 L C 1.938 178.701 176.870 -0.179 0.000 1.080 531 L CA 0.940 55.567 54.840 -0.354 0.000 0.759 531 L CB -0.031 41.713 42.059 -0.525 0.000 0.914 531 L HN 0.147 nan 8.230 nan 0.000 0.439 532 L N 0.124 121.254 121.223 -0.154 0.000 2.291 532 L HA -0.138 4.202 4.340 -0.001 0.000 0.214 532 L C 2.822 179.655 176.870 -0.062 0.000 1.120 532 L CA 1.073 55.869 54.840 -0.073 0.000 0.799 532 L CB -1.408 40.636 42.059 -0.024 0.000 0.925 532 L HN 0.517 nan 8.230 nan 0.000 0.446 533 N N 0.489 119.140 118.700 -0.083 0.000 2.106 533 N HA -0.086 4.654 4.740 -0.001 0.000 0.188 533 N C 1.983 177.462 175.510 -0.052 0.000 1.029 533 N CA 1.512 54.526 53.050 -0.062 0.000 0.848 533 N CB -0.484 37.964 38.487 -0.064 0.000 1.007 533 N HN 0.398 nan 8.380 nan 0.000 0.423 534 A N -1.625 121.156 122.820 -0.064 0.000 1.822 534 A HA 0.404 4.724 4.320 -0.001 0.000 0.214 534 A C 1.414 178.977 177.584 -0.034 0.000 1.245 534 A CA 2.452 54.462 52.037 -0.045 0.000 0.608 534 A CB -0.713 18.258 19.000 -0.049 0.000 0.896 534 A HN 0.971 nan 8.150 nan 0.000 0.457 535 T N 0.000 114.532 114.554 -0.037 0.000 3.816 535 T HA 0.000 4.350 4.350 -0.001 0.000 0.228 535 T CA 0.000 62.086 62.100 -0.023 0.000 1.349 535 T CB 0.000 68.860 68.868 -0.013 0.000 0.612 535 T HN 0.000 nan 8.240 nan 0.000 0.658