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 1xvb_1_C DATA FIRST_RESID 2 DATA SEQUENCE SMLGERRRGL TDPEMAAVIL KALPEAPLDG NNKMGYFVTP RWKRLTEYEA DATA SEQUENCE LTVYAQPNAD WIAGGLDWGD WTQKFHGGRP SWGNETTELR TVDWFKHRDP DATA SEQUENCE LRRWHAPYVK DKAEEWRYTD RFLQGYSADG QIRAMNPTWR DEFINRYWGA DATA SEQUENCE FLFNEYGLFN AHSQGAREAL SDVTRVSLAF WGFDKIDIAQ MIQLERGFLA DATA SEQUENCE KIVPGFDEST AVPKAEWTNG EVYKSARLAV EGLWQEVFDW NESAFSVHAV DATA SEQUENCE YDALFGQFVR REFFQRLAPR FGDNLTPFFI NQAQTYFQIA KQGVQDLYYN DATA SEQUENCE CLGDDPEFSD YNRTVMRNWT GKWLEPTIAA LRDFMGLFAK LPAGTTDKEE DATA SEQUENCE ITASLYRVVD DWIEDYASRI DFKADRDQIV KAVLAGLK 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 2 S HA 0.000 nan 4.470 nan 0.000 0.327 2 S C 0.000 174.603 174.600 0.005 0.000 1.055 2 S CA 0.000 58.203 58.200 0.005 0.000 1.107 2 S CB 0.000 63.203 63.200 0.005 0.000 0.593 3 M N 2.090 121.693 119.600 0.005 0.000 2.999 3 M HA 0.353 4.833 4.480 -0.000 0.000 0.246 3 M C 0.838 177.141 176.300 0.005 0.000 1.478 3 M CA 0.607 55.910 55.300 0.005 0.000 1.243 3 M CB 0.001 32.604 32.600 0.004 0.000 1.213 3 M HN 0.608 nan 8.290 nan 0.000 0.564 4 L N 0.641 121.867 121.223 0.005 0.000 2.221 4 L HA 0.425 4.765 4.340 -0.000 0.000 0.202 4 L C 0.726 177.599 176.870 0.005 0.000 1.074 4 L CA 1.595 56.438 54.840 0.005 0.000 0.795 4 L CB 0.090 42.151 42.059 0.005 0.000 0.960 4 L HN 0.517 nan 8.230 nan 0.000 0.458 5 G N -2.135 106.668 108.800 0.005 0.000 2.663 5 G HA2 -0.011 3.949 3.960 -0.000 0.000 0.686 5 G HA3 -0.011 3.949 3.960 -0.000 0.000 0.686 5 G C 0.178 175.081 174.900 0.005 0.000 1.246 5 G CA 0.178 45.281 45.100 0.005 0.000 0.795 5 G HN 0.338 nan 8.290 nan 0.000 0.627 6 E N 0.282 120.485 120.200 0.005 0.000 2.276 6 E HA 0.242 4.592 4.350 -0.000 0.000 0.193 6 E C 1.521 178.124 176.600 0.005 0.000 0.983 6 E CA 1.322 57.725 56.400 0.005 0.000 0.861 6 E CB 0.065 29.768 29.700 0.004 0.000 0.817 6 E HN 0.902 nan 8.360 nan 0.000 0.485 7 R N 1.049 121.552 120.500 0.005 0.000 2.370 7 R HA 0.228 4.568 4.340 -0.000 0.000 0.309 7 R C -0.531 175.773 176.300 0.006 0.000 1.059 7 R CA -0.256 55.847 56.100 0.006 0.000 0.981 7 R CB 0.219 30.523 30.300 0.006 0.000 0.972 7 R HN 0.184 nan 8.270 nan 0.000 0.437 8 R N 4.285 124.788 120.500 0.006 0.000 2.265 8 R HA 0.260 4.600 4.340 -0.000 0.000 0.319 8 R C -0.364 175.939 176.300 0.006 0.000 1.006 8 R CA -0.527 55.576 56.100 0.006 0.000 0.880 8 R CB 1.447 31.750 30.300 0.005 0.000 1.077 8 R HN 0.493 nan 8.270 nan 0.000 0.454 9 R N 1.252 121.756 120.500 0.006 0.000 2.346 9 R HA 0.180 4.520 4.340 -0.000 0.000 0.311 9 R C 1.220 177.524 176.300 0.007 0.000 0.983 9 R CA -0.406 55.698 56.100 0.007 0.000 0.880 9 R CB 1.428 31.733 30.300 0.008 0.000 1.100 9 R HN 0.848 nan 8.270 nan 0.000 0.453 10 G N 2.305 111.109 108.800 0.007 0.000 2.462 10 G HA2 -0.247 3.712 3.960 -0.000 0.000 0.220 10 G HA3 -0.247 3.712 3.960 -0.000 0.000 0.220 10 G C 1.092 175.996 174.900 0.007 0.000 1.121 10 G CA 0.510 45.614 45.100 0.007 0.000 0.758 10 G HN 0.457 nan 8.290 nan 0.000 0.559 11 L N 1.233 122.461 121.223 0.008 0.000 2.179 11 L HA 0.118 4.458 4.340 -0.000 0.000 0.208 11 L C 2.744 179.619 176.870 0.008 0.000 1.096 11 L CA 2.499 57.344 54.840 0.008 0.000 0.779 11 L CB -0.198 41.866 42.059 0.009 0.000 0.922 11 L HN 0.304 nan 8.230 nan 0.000 0.443 12 T N -5.335 109.224 114.554 0.007 0.000 2.971 12 T HA 0.078 4.428 4.350 -0.000 0.000 0.252 12 T C 0.794 175.498 174.700 0.006 0.000 1.022 12 T CA -0.220 61.884 62.100 0.007 0.000 0.980 12 T CB -0.385 68.487 68.868 0.007 0.000 1.044 12 T HN 0.278 nan 8.240 nan 0.000 0.501 13 D N 3.145 123.549 120.400 0.006 0.000 2.358 13 D HA 0.130 4.770 4.640 -0.000 0.000 0.258 13 D C -1.590 174.713 176.300 0.005 0.000 1.223 13 D CA -1.682 52.321 54.000 0.005 0.000 0.886 13 D CB 1.812 42.615 40.800 0.005 0.000 1.120 13 D HN 0.003 nan 8.370 nan 0.000 0.482 14 P HA -0.194 nan 4.420 nan 0.000 0.215 14 P C 1.143 178.446 177.300 0.004 0.000 1.163 14 P CA 1.202 64.305 63.100 0.004 0.000 0.894 14 P CB 0.235 31.937 31.700 0.004 0.000 0.791 15 E N -0.821 119.382 120.200 0.004 0.000 2.051 15 E HA -0.196 4.154 4.350 -0.000 0.000 0.192 15 E C 1.894 178.496 176.600 0.004 0.000 0.991 15 E CA 1.477 57.879 56.400 0.004 0.000 0.799 15 E CB -0.467 29.235 29.700 0.004 0.000 0.748 15 E HN 0.111 nan 8.360 nan 0.000 0.449 16 M N 0.248 119.851 119.600 0.004 0.000 2.132 16 M HA -0.075 4.405 4.480 -0.000 0.000 0.263 16 M C 2.460 178.763 176.300 0.005 0.000 1.065 16 M CA 1.445 56.748 55.300 0.005 0.000 1.122 16 M CB -0.111 32.492 32.600 0.005 0.000 1.365 16 M HN 0.215 nan 8.290 nan 0.000 0.411 17 A N 0.518 123.340 122.820 0.005 0.000 1.933 17 A HA -0.039 4.281 4.320 -0.000 0.000 0.218 17 A C 2.381 179.968 177.584 0.005 0.000 1.175 17 A CA 1.890 53.930 52.037 0.005 0.000 0.628 17 A CB -0.906 18.098 19.000 0.005 0.000 0.814 17 A HN 0.491 nan 8.150 nan 0.000 0.444 18 A N -0.678 122.145 122.820 0.004 0.000 1.969 18 A HA 0.065 4.385 4.320 -0.000 0.000 0.218 18 A C 2.201 179.787 177.584 0.004 0.000 1.169 18 A CA 1.592 53.631 52.037 0.004 0.000 0.635 18 A CB -0.757 18.245 19.000 0.004 0.000 0.810 18 A HN 0.343 nan 8.150 nan 0.000 0.445 19 V N 0.715 120.632 119.914 0.004 0.000 2.295 19 V HA -0.245 3.875 4.120 -0.000 0.000 0.246 19 V C 2.462 178.559 176.094 0.004 0.000 1.049 19 V CA 1.759 64.061 62.300 0.004 0.000 1.024 19 V CB -0.624 31.202 31.823 0.004 0.000 0.648 19 V HN 0.511 nan 8.190 nan 0.000 0.447 20 I N -0.115 120.458 120.570 0.004 0.000 2.099 20 I HA -0.263 3.907 4.170 -0.000 0.000 0.239 20 I C 2.437 178.557 176.117 0.004 0.000 1.066 20 I CA 1.955 63.258 61.300 0.005 0.000 1.324 20 I CB -1.248 36.755 38.000 0.005 0.000 1.037 20 I HN 0.275 nan 8.210 nan 0.000 0.401 21 L N 0.378 121.604 121.223 0.004 0.000 2.079 21 L HA -0.235 4.104 4.340 -0.000 0.000 0.210 21 L C 2.617 179.489 176.870 0.003 0.000 1.081 21 L CA 1.452 56.294 54.840 0.004 0.000 0.752 21 L CB -0.683 41.379 42.059 0.004 0.000 0.896 21 L HN 0.289 nan 8.230 nan 0.000 0.433 22 K N 0.488 120.890 120.400 0.003 0.000 2.147 22 K HA -0.152 4.168 4.320 -0.000 0.000 0.205 22 K C 1.984 178.585 176.600 0.003 0.000 1.049 22 K CA 1.240 57.529 56.287 0.003 0.000 0.936 22 K CB -0.009 32.493 32.500 0.003 0.000 0.722 22 K HN 0.292 nan 8.250 nan 0.000 0.446 23 A N 0.903 123.725 122.820 0.003 0.000 2.123 23 A HA 0.140 4.460 4.320 -0.000 0.000 0.214 23 A C 0.764 178.349 177.584 0.003 0.000 1.152 23 A CA 0.019 52.057 52.037 0.003 0.000 0.728 23 A CB -0.175 18.827 19.000 0.003 0.000 0.814 23 A HN 0.201 nan 8.150 nan 0.000 0.464 24 L N 1.728 122.953 121.223 0.003 0.000 2.461 24 L HA 0.178 4.518 4.340 -0.000 0.000 0.272 24 L C -1.568 175.303 176.870 0.002 0.000 1.197 24 L CA -1.431 53.411 54.840 0.003 0.000 0.836 24 L CB 0.110 42.171 42.059 0.004 0.000 1.105 24 L HN 0.260 nan 8.230 nan 0.000 0.477 25 P HA 0.190 nan 4.420 nan 0.000 0.276 25 P C 0.261 177.562 177.300 0.001 0.000 1.261 25 P CA -0.278 62.822 63.100 0.001 0.000 0.800 25 P CB 0.712 32.412 31.700 0.000 0.000 1.066 26 E N 0.013 120.213 120.200 0.000 0.000 2.150 26 E HA 0.188 4.538 4.350 -0.000 0.000 0.193 26 E C 1.081 177.681 176.600 -0.000 0.000 0.985 26 E CA 1.327 57.727 56.400 0.000 0.000 0.814 26 E CB -0.293 29.406 29.700 -0.000 0.000 0.752 26 E HN 0.882 nan 8.360 nan 0.000 0.466 27 A N -0.762 122.057 122.820 -0.001 0.000 2.602 27 A HA 0.634 4.953 4.320 -0.000 0.000 0.290 27 A C -2.858 174.724 177.584 -0.002 0.000 1.114 27 A CA -1.175 50.861 52.037 -0.001 0.000 0.683 27 A CB 0.730 19.728 19.000 -0.003 0.000 1.281 27 A HN 0.104 nan 8.150 nan 0.000 0.416 28 P HA 0.192 nan 4.420 nan 0.000 0.266 28 P C 0.333 177.629 177.300 -0.006 0.000 1.193 28 P CA -0.005 63.093 63.100 -0.003 0.000 0.770 28 P CB 0.316 32.013 31.700 -0.004 0.000 0.836 29 L N 0.746 121.966 121.223 -0.005 0.000 2.650 29 L HA 0.125 4.464 4.340 -0.000 0.000 0.235 29 L C 0.608 177.470 176.870 -0.014 0.000 1.149 29 L CA 0.874 55.710 54.840 -0.008 0.000 0.887 29 L CB -0.397 41.660 42.059 -0.004 0.000 1.021 29 L HN 0.435 nan 8.230 nan 0.000 0.441 30 D N -1.406 118.984 120.400 -0.017 0.000 2.812 30 D HA 0.138 4.778 4.640 -0.000 0.000 0.210 30 D C 0.350 176.630 176.300 -0.032 0.000 1.260 30 D CA -0.081 53.901 54.000 -0.030 0.000 0.817 30 D CB 1.873 42.652 40.800 -0.035 0.000 1.694 30 D HN -0.063 nan 8.370 nan 0.000 0.530 31 G N 2.056 110.831 108.800 -0.041 0.000 2.880 31 G HA2 -0.091 3.868 3.960 -0.000 0.000 0.209 31 G HA3 -0.091 3.868 3.960 -0.000 0.000 0.209 31 G C 0.778 175.648 174.900 -0.050 0.000 1.157 31 G CA -0.137 44.941 45.100 -0.037 0.000 0.779 31 G HN 0.353 nan 8.290 nan 0.000 0.539 32 N N 1.737 120.388 118.700 -0.083 0.000 2.739 32 N HA 0.013 4.753 4.740 -0.000 0.000 0.266 32 N C 0.742 176.215 175.510 -0.060 0.000 1.168 32 N CA -0.372 52.606 53.050 -0.120 0.000 1.055 32 N CB -0.700 37.625 38.487 -0.272 0.000 1.393 32 N HN 0.516 nan 8.380 nan 0.000 0.514 33 N N 0.126 118.814 118.700 -0.019 0.000 2.389 33 N HA 0.046 4.786 4.740 -0.000 0.000 0.237 33 N C -0.325 175.208 175.510 0.039 0.000 1.148 33 N CA -0.464 52.593 53.050 0.012 0.000 0.854 33 N CB 0.094 38.586 38.487 0.009 0.000 1.115 33 N HN 0.211 nan 8.380 nan 0.000 0.492 34 K N 1.505 121.945 120.400 0.067 0.000 2.404 34 K HA 0.217 4.536 4.320 -0.000 0.000 0.257 34 K C -0.167 176.546 176.600 0.188 0.000 1.026 34 K CA -0.744 55.605 56.287 0.104 0.000 0.951 34 K CB 0.811 33.373 32.500 0.103 0.000 1.203 34 K HN 0.305 nan 8.250 nan 0.000 0.446 35 M N 1.995 121.661 119.600 0.111 0.000 2.252 35 M HA 0.310 4.790 4.480 -0.000 0.000 0.348 35 M C 1.098 177.396 176.300 -0.004 0.000 1.334 35 M CA 2.266 57.625 55.300 0.099 0.000 1.071 35 M CB -0.392 32.228 32.600 0.033 0.000 1.763 35 M HN 1.431 nan 8.290 nan 0.000 0.452 36 G N 5.502 114.242 108.800 -0.101 0.000 2.136 36 G HA2 -0.343 3.617 3.960 -0.000 0.000 0.242 36 G HA3 -0.343 3.617 3.960 -0.000 0.000 0.242 36 G C 0.067 174.639 174.900 -0.547 0.000 0.989 36 G CA 0.712 45.502 45.100 -0.517 0.000 0.682 36 G HN 1.029 nan 8.290 nan 0.000 0.522 37 Y N -0.285 119.937 120.300 -0.130 0.000 2.315 37 Y HA 0.045 4.594 4.550 -0.000 0.000 0.288 37 Y C 2.137 178.020 175.900 -0.028 0.000 1.154 37 Y CA 1.471 59.548 58.100 -0.038 0.000 1.229 37 Y CB -0.920 37.578 38.460 0.063 0.000 0.980 37 Y HN 0.633 nan 8.280 nan 0.000 0.540 38 F N -0.415 119.151 119.950 -0.641 0.000 2.811 38 F HA 0.392 4.919 4.527 -0.000 0.000 0.301 38 F C 0.092 175.815 175.800 -0.129 0.000 1.151 38 F CA -1.065 56.722 58.000 -0.356 0.000 1.412 38 F CB -0.958 37.705 39.000 -0.562 0.000 1.113 38 F HN -0.173 nan 8.300 nan 0.000 0.579 39 V N 1.712 121.272 119.914 -0.590 0.000 2.530 39 V HA 0.094 4.214 4.120 -0.000 0.000 0.282 39 V C 0.482 176.492 176.094 -0.141 0.000 1.048 39 V CA -0.491 61.619 62.300 -0.317 0.000 0.997 39 V CB 0.992 32.556 31.823 -0.432 0.000 0.987 39 V HN 0.242 nan 8.190 nan 0.000 0.477 40 T N 8.305 122.821 114.554 -0.063 0.000 2.751 40 T HA 0.205 4.555 4.350 -0.000 0.000 0.290 40 T C -2.205 172.444 174.700 -0.085 0.000 0.919 40 T CA -0.480 61.593 62.100 -0.045 0.000 1.136 40 T CB 0.436 69.292 68.868 -0.020 0.000 0.875 40 T HN 0.508 nan 8.240 nan 0.000 0.532 41 P HA 0.279 nan 4.420 nan 0.000 0.271 41 P C 0.634 177.856 177.300 -0.130 0.000 1.216 41 P CA -0.582 62.485 63.100 -0.055 0.000 0.771 41 P CB 0.823 32.534 31.700 0.019 0.000 0.864 42 R N 3.109 123.441 120.500 -0.279 0.000 2.093 42 R HA 0.050 4.390 4.340 -0.000 0.000 0.224 42 R C 0.299 176.250 176.300 -0.582 0.000 1.101 42 R CA 1.309 57.050 56.100 -0.597 0.000 0.979 42 R CB -0.063 29.510 30.300 -1.211 0.000 0.877 42 R HN 0.506 nan 8.270 nan 0.000 0.441 43 W N -0.527 120.788 121.300 0.025 0.000 2.848 43 W HA 0.344 5.004 4.660 -0.000 0.000 0.396 43 W C 1.722 178.254 176.519 0.021 0.000 1.553 43 W CA -0.266 57.094 57.345 0.026 0.000 1.488 43 W CB -0.236 29.243 29.460 0.033 0.000 1.732 43 W HN 0.024 nan 8.180 nan 0.000 0.681 44 K N 0.736 121.306 120.400 0.284 0.000 2.015 44 K HA -0.094 4.226 4.320 -0.000 0.000 0.216 44 K C 1.249 177.926 176.600 0.129 0.000 1.052 44 K CA 2.494 58.874 56.287 0.156 0.000 0.937 44 K CB -1.149 31.426 32.500 0.125 0.000 0.719 44 K HN 0.518 nan 8.250 nan 0.000 0.446 45 R N -0.868 119.720 120.500 0.147 0.000 2.854 45 R HA 0.743 5.082 4.340 -0.000 0.000 0.271 45 R C -0.307 176.076 176.300 0.137 0.000 0.996 45 R CA -0.312 55.854 56.100 0.110 0.000 0.961 45 R CB 0.541 30.888 30.300 0.078 0.000 1.182 45 R HN 0.698 nan 8.270 nan 0.000 0.479 46 L N 1.669 122.946 121.223 0.090 0.000 2.514 46 L HA 0.352 4.691 4.340 -0.000 0.000 0.280 46 L C 0.872 177.799 176.870 0.094 0.000 1.223 46 L CA 0.918 55.805 54.840 0.078 0.000 0.864 46 L CB 1.051 43.115 42.059 0.007 0.000 1.118 46 L HN 1.006 nan 8.230 nan 0.000 0.494 47 T N 0.084 114.719 114.554 0.135 0.000 2.944 47 T HA 0.304 4.654 4.350 -0.000 0.000 0.284 47 T C 0.770 175.493 174.700 0.039 0.000 1.010 47 T CA -0.245 61.928 62.100 0.121 0.000 1.025 47 T CB 1.172 70.172 68.868 0.221 0.000 1.079 47 T HN 0.745 nan 8.240 nan 0.000 0.516 48 E N -0.049 120.161 120.200 0.017 0.000 2.110 48 E HA -0.214 4.136 4.350 -0.000 0.000 0.193 48 E C 1.577 178.039 176.600 -0.230 0.000 0.988 48 E CA 1.154 57.485 56.400 -0.115 0.000 0.804 48 E CB -0.306 29.348 29.700 -0.076 0.000 0.745 48 E HN 0.765 nan 8.360 nan 0.000 0.458 49 Y N 1.573 121.779 120.300 -0.157 0.000 2.097 49 Y HA -0.250 4.299 4.550 -0.000 0.000 0.282 49 Y C 1.783 177.623 175.900 -0.100 0.000 1.152 49 Y CA 2.345 60.389 58.100 -0.094 0.000 1.136 49 Y CB -0.363 38.189 38.460 0.154 0.000 0.975 49 Y HN 0.072 nan 8.280 nan 0.000 0.498 50 E N 0.296 120.321 120.200 -0.293 0.000 2.051 50 E HA -0.170 4.180 4.350 -0.000 0.000 0.192 50 E C 2.453 178.837 176.600 -0.360 0.000 0.991 50 E CA 1.099 57.250 56.400 -0.416 0.000 0.799 50 E CB -0.443 29.160 29.700 -0.162 0.000 0.748 50 E HN 0.580 nan 8.360 nan 0.000 0.449 51 A N 1.280 123.940 122.820 -0.266 0.000 1.883 51 A HA -0.182 4.138 4.320 -0.000 0.000 0.217 51 A C 2.171 179.594 177.584 -0.268 0.000 1.186 51 A CA 1.284 53.169 52.037 -0.254 0.000 0.624 51 A CB -0.725 18.161 19.000 -0.189 0.000 0.822 51 A HN 0.160 nan 8.150 nan 0.000 0.444 52 L N -0.972 120.053 121.223 -0.331 0.000 2.465 52 L HA -0.052 4.288 4.340 -0.000 0.000 0.224 52 L C 2.118 178.837 176.870 -0.251 0.000 1.145 52 L CA 1.265 55.912 54.840 -0.321 0.000 0.834 52 L CB -0.361 41.382 42.059 -0.527 0.000 0.944 52 L HN 0.392 nan 8.230 nan 0.000 0.451 53 T N -1.900 112.470 114.554 -0.307 0.000 3.114 53 T HA 0.120 4.470 4.350 -0.000 0.000 0.240 53 T C 0.731 175.281 174.700 -0.250 0.000 0.983 53 T CA -0.191 61.746 62.100 -0.272 0.000 1.151 53 T CB 0.267 68.900 68.868 -0.392 0.000 0.974 53 T HN -0.153 nan 8.240 nan 0.000 0.442 54 V N 3.459 123.163 119.914 -0.350 0.000 2.557 54 V HA 0.030 4.149 4.120 -0.000 0.000 0.301 54 V C 0.305 176.165 176.094 -0.390 0.000 1.026 54 V CA 0.451 62.487 62.300 -0.439 0.000 1.137 54 V CB -1.112 30.340 31.823 -0.618 0.000 0.917 54 V HN 0.662 nan 8.190 nan 0.000 0.484 55 Y N 1.268 121.432 120.300 -0.226 0.000 4.943 55 Y HA -0.293 4.257 4.550 -0.000 0.000 0.258 55 Y C 1.694 177.550 175.900 -0.074 0.000 0.930 55 Y CA 0.590 58.512 58.100 -0.296 0.000 1.902 55 Y CB -2.214 36.084 38.460 -0.271 0.000 1.386 55 Y HN 0.667 nan 8.280 nan 0.000 0.558 56 A N 0.066 122.931 122.820 0.075 0.000 1.933 56 A HA -0.159 4.161 4.320 -0.000 0.000 0.218 56 A C 1.397 179.037 177.584 0.094 0.000 1.175 56 A CA 1.393 53.464 52.037 0.057 0.000 0.628 56 A CB -0.268 18.733 19.000 0.002 0.000 0.814 56 A HN 0.533 nan 8.150 nan 0.000 0.444 57 Q N 1.001 120.875 119.800 0.122 0.000 2.281 57 Q HA 0.154 4.494 4.340 -0.000 0.000 0.267 57 Q C -2.144 173.985 176.000 0.214 0.000 1.053 57 Q CA -1.778 54.070 55.803 0.076 0.000 0.905 57 Q CB 0.747 29.402 28.738 -0.138 0.000 1.195 57 Q HN 0.252 nan 8.270 nan 0.000 0.398 58 P HA 0.019 nan 4.420 nan 0.000 0.237 58 P C -1.014 176.466 177.300 0.301 0.000 1.723 58 P CA -0.093 63.168 63.100 0.267 0.000 0.882 58 P CB -0.080 31.796 31.700 0.294 0.000 1.810 59 N N 1.039 119.903 118.700 0.272 0.000 2.518 59 N HA 0.260 5.000 4.740 -0.000 0.000 0.266 59 N C 0.583 176.023 175.510 -0.117 0.000 1.196 59 N CA 0.035 53.156 53.050 0.119 0.000 0.947 59 N CB 0.692 39.272 38.487 0.155 0.000 1.098 59 N HN 0.199 nan 8.380 nan 0.000 0.450 60 A N 0.781 123.332 122.820 -0.449 0.000 2.257 60 A HA 0.187 4.507 4.320 -0.000 0.000 0.289 60 A C 0.921 178.351 177.584 -0.257 0.000 1.095 60 A CA -0.456 51.367 52.037 -0.356 0.000 0.836 60 A CB 0.214 18.965 19.000 -0.414 0.000 1.111 60 A HN 0.751 nan 8.150 nan 0.000 0.497 61 D N -0.169 120.219 120.400 -0.021 0.000 2.309 61 D HA -0.205 4.434 4.640 -0.000 0.000 0.212 61 D C 1.300 177.674 176.300 0.123 0.000 0.968 61 D CA 1.447 55.492 54.000 0.073 0.000 0.882 61 D CB -0.435 40.444 40.800 0.131 0.000 0.918 61 D HN 0.794 nan 8.370 nan 0.000 0.503 62 W N 0.592 121.945 121.300 0.089 0.000 2.961 62 W HA 0.285 4.945 4.660 -0.000 0.000 0.240 62 W C -0.186 176.425 176.519 0.154 0.000 1.305 62 W CA -0.625 56.781 57.345 0.103 0.000 1.465 62 W CB -0.687 28.816 29.460 0.072 0.000 1.135 62 W HN -0.108 nan 8.180 nan 0.000 0.688 63 I N 1.966 122.469 120.570 -0.111 0.000 2.420 63 I HA 0.344 4.514 4.170 -0.000 0.000 0.282 63 I C 0.684 176.906 176.117 0.176 0.000 1.019 63 I CA -1.098 60.211 61.300 0.015 0.000 1.130 63 I CB 1.241 39.133 38.000 -0.180 0.000 1.262 63 I HN -0.156 nan 8.210 nan 0.000 0.454 64 A N 4.834 127.813 122.820 0.265 0.000 2.589 64 A HA 0.208 4.528 4.320 -0.000 0.000 0.265 64 A C 1.430 179.174 177.584 0.267 0.000 0.973 64 A CA 1.341 53.502 52.037 0.207 0.000 0.902 64 A CB -0.697 18.326 19.000 0.039 0.000 0.846 64 A HN 1.368 nan 8.150 nan 0.000 0.489 65 G N 1.755 110.720 108.800 0.275 0.000 2.194 65 G HA2 0.042 4.001 3.960 -0.000 0.000 0.236 65 G HA3 0.042 4.001 3.960 -0.000 0.000 0.236 65 G C 1.051 176.260 174.900 0.515 0.000 0.987 65 G CA 0.386 45.743 45.100 0.428 0.000 0.635 65 G HN 2.211 nan 8.290 nan 0.000 0.520 66 G N -0.285 108.757 108.800 0.403 0.000 2.441 66 G HA2 0.507 4.466 3.960 -0.000 0.000 0.243 66 G HA3 0.507 4.466 3.960 -0.000 0.000 0.243 66 G C 1.020 175.961 174.900 0.069 0.000 1.281 66 G CA -0.057 45.214 45.100 0.284 0.000 0.854 66 G HN 0.588 nan 8.290 nan 0.000 0.560 67 L N 0.899 122.085 121.223 -0.062 0.000 2.554 67 L HA 0.185 4.525 4.340 -0.000 0.000 0.225 67 L C 1.045 177.870 176.870 -0.075 0.000 1.104 67 L CA -0.189 54.559 54.840 -0.154 0.000 0.866 67 L CB -0.037 41.784 42.059 -0.398 0.000 1.047 67 L HN 0.417 nan 8.230 nan 0.000 0.468 68 D N 0.122 120.483 120.400 -0.065 0.000 2.447 68 D HA 0.142 4.782 4.640 -0.000 0.000 0.265 68 D C -0.794 175.537 176.300 0.051 0.000 1.250 68 D CA -0.223 53.732 54.000 -0.075 0.000 1.046 68 D CB 1.133 41.823 40.800 -0.184 0.000 1.095 68 D HN 0.024 nan 8.370 nan 0.000 0.555 69 W N -1.092 120.177 121.300 -0.053 0.000 3.107 69 W HA 0.508 5.167 4.660 -0.000 0.000 0.331 69 W C -0.251 176.280 176.519 0.020 0.000 1.204 69 W CA -0.808 56.540 57.345 0.005 0.000 1.184 69 W CB 0.196 29.658 29.460 0.003 0.000 1.421 69 W HN 0.775 nan 8.180 nan 0.000 0.544 70 G N 1.594 110.662 108.800 0.446 0.000 2.746 70 G HA2 -0.174 3.786 3.960 -0.000 0.000 0.685 70 G HA3 -0.174 3.786 3.960 -0.000 0.000 0.685 70 G C -0.937 174.044 174.900 0.135 0.000 1.350 70 G CA -0.275 44.986 45.100 0.268 0.000 0.837 70 G HN 0.820 nan 8.290 nan 0.000 0.564 71 D N -0.676 119.748 120.400 0.039 0.000 2.371 71 D HA 0.406 5.046 4.640 -0.000 0.000 0.242 71 D C 0.773 177.062 176.300 -0.019 0.000 1.218 71 D CA -0.235 53.768 54.000 0.005 0.000 0.945 71 D CB 0.337 41.128 40.800 -0.014 0.000 1.137 71 D HN 0.423 nan 8.370 nan 0.000 0.464 72 W N -0.380 121.071 121.300 0.253 0.000 2.079 72 W HA 0.065 4.725 4.660 -0.000 0.000 0.354 72 W C 2.092 178.639 176.519 0.047 0.000 1.302 72 W CA -0.095 57.334 57.345 0.140 0.000 1.281 72 W CB 0.352 29.900 29.460 0.147 0.000 1.165 72 W HN 0.397 nan 8.180 nan 0.000 0.603 73 T N -1.943 112.775 114.554 0.274 0.000 2.942 73 T HA -0.087 4.263 4.350 -0.000 0.000 0.265 73 T C 0.415 175.162 174.700 0.079 0.000 1.062 73 T CA 0.644 62.814 62.100 0.117 0.000 1.139 73 T CB 0.075 68.982 68.868 0.065 0.000 0.883 73 T HN 0.474 nan 8.240 nan 0.000 0.468 74 Q N 0.238 120.084 119.800 0.076 0.000 2.263 74 Q HA 0.457 4.796 4.340 -0.000 0.000 0.266 74 Q C -1.513 174.473 176.000 -0.023 0.000 1.002 74 Q CA -0.797 55.001 55.803 -0.008 0.000 0.790 74 Q CB 1.728 30.422 28.738 -0.073 0.000 1.272 74 Q HN 0.272 nan 8.270 nan 0.000 0.435 75 K N 1.885 122.285 120.400 0.000 0.000 2.354 75 K HA 0.485 4.804 4.320 -0.000 0.000 0.238 75 K C -0.641 175.959 176.600 -0.001 0.000 1.068 75 K CA -0.765 55.552 56.287 0.050 0.000 0.925 75 K CB 0.812 33.411 32.500 0.165 0.000 1.286 75 K HN 0.317 nan 8.250 nan 0.000 0.500 76 F N 1.116 121.041 119.950 -0.041 0.000 2.403 76 F HA 0.086 4.613 4.527 -0.000 0.000 0.320 76 F C 1.347 177.150 175.800 0.005 0.000 1.176 76 F CA -0.091 57.904 58.000 -0.009 0.000 1.206 76 F CB 0.284 39.292 39.000 0.013 0.000 1.235 76 F HN 0.244 nan 8.300 nan 0.000 0.565 77 H N 0.885 120.068 119.070 0.188 0.000 2.964 77 H HA 0.187 4.743 4.556 -0.000 0.000 0.328 77 H C 1.113 176.508 175.328 0.113 0.000 1.030 77 H CA 1.474 57.587 56.048 0.107 0.000 1.445 77 H CB 0.395 30.203 29.762 0.077 0.000 1.449 77 H HN 0.859 nan 8.280 nan 0.000 0.581 78 G N 2.029 110.924 108.800 0.158 0.000 2.313 78 G HA2 -0.270 3.690 3.960 -0.000 0.000 0.215 78 G HA3 -0.270 3.690 3.960 -0.000 0.000 0.215 78 G C 0.966 175.914 174.900 0.080 0.000 1.023 78 G CA 0.263 45.427 45.100 0.107 0.000 0.626 78 G HN 1.300 nan 8.290 nan 0.000 0.503 79 G N -0.657 108.205 108.800 0.103 0.000 2.211 79 G HA2 -0.143 3.816 3.960 -0.000 0.000 0.201 79 G HA3 -0.143 3.816 3.960 -0.000 0.000 0.201 79 G C 0.294 175.271 174.900 0.128 0.000 0.997 79 G CA 1.010 46.167 45.100 0.095 0.000 0.652 79 G HN 0.916 nan 8.290 nan 0.000 0.500 80 R N 2.096 122.668 120.500 0.119 0.000 2.537 80 R HA 0.216 4.555 4.340 -0.000 0.000 0.281 80 R C -1.947 174.497 176.300 0.240 0.000 0.988 80 R CA -0.375 55.770 56.100 0.075 0.000 1.077 80 R CB 0.328 30.494 30.300 -0.223 0.000 0.932 80 R HN 0.219 nan 8.270 nan 0.000 0.409 81 P HA 0.034 nan 4.420 nan 0.000 0.274 81 P C 0.008 177.396 177.300 0.147 0.000 1.231 81 P CA -0.157 63.176 63.100 0.389 0.000 0.790 81 P CB 0.984 33.105 31.700 0.703 0.000 0.951 82 S N 0.686 116.187 115.700 -0.330 0.000 2.372 82 S HA -0.109 4.361 4.470 -0.000 0.000 0.227 82 S C 0.495 174.646 174.600 -0.749 0.000 1.044 82 S CA 1.183 58.911 58.200 -0.786 0.000 1.050 82 S CB -0.334 61.901 63.200 -1.609 0.000 0.901 82 S HN 0.563 nan 8.310 nan 0.000 0.447 83 W N -0.302 120.736 121.300 -0.436 0.000 3.033 83 W HA 0.623 5.283 4.660 -0.000 0.000 0.336 83 W C 0.132 176.766 176.519 0.191 0.000 1.173 83 W CA -0.850 56.413 57.345 -0.137 0.000 1.185 83 W CB 1.537 30.881 29.460 -0.193 0.000 1.425 83 W HN 0.216 nan 8.180 nan 0.000 0.536 84 G N 1.019 110.057 108.800 0.397 0.000 2.576 84 G HA2 0.108 4.068 3.960 -0.000 0.000 0.290 84 G HA3 0.108 4.068 3.960 -0.000 0.000 0.290 84 G C 0.080 175.174 174.900 0.322 0.000 1.442 84 G CA -0.644 44.720 45.100 0.440 0.000 0.792 84 G HN 0.358 nan 8.290 nan 0.000 0.491 85 N N 0.250 119.170 118.700 0.366 0.000 2.309 85 N HA -0.115 4.625 4.740 -0.000 0.000 0.182 85 N C 1.922 177.595 175.510 0.272 0.000 1.018 85 N CA 1.430 54.672 53.050 0.319 0.000 0.876 85 N CB 0.123 38.803 38.487 0.323 0.000 0.972 85 N HN 0.880 nan 8.380 nan 0.000 0.434 86 E N 1.061 121.414 120.200 0.255 0.000 2.472 86 E HA -0.102 4.248 4.350 -0.000 0.000 0.200 86 E C 0.903 177.619 176.600 0.194 0.000 1.046 86 E CA 1.081 57.600 56.400 0.198 0.000 0.871 86 E CB -0.399 29.400 29.700 0.164 0.000 0.806 86 E HN 0.291 nan 8.360 nan 0.000 0.533 87 T N -2.418 112.280 114.554 0.240 0.000 3.129 87 T HA 0.083 4.433 4.350 -0.000 0.000 0.251 87 T C 0.434 175.314 174.700 0.300 0.000 1.117 87 T CA 0.291 62.557 62.100 0.278 0.000 1.034 87 T CB 0.575 69.634 68.868 0.319 0.000 0.968 87 T HN 0.079 nan 8.240 nan 0.000 0.526 88 T N -0.023 114.666 114.554 0.224 0.000 2.942 88 T HA 0.273 4.623 4.350 -0.000 0.000 0.327 88 T C -0.065 174.758 174.700 0.205 0.000 1.360 88 T CA -0.591 61.578 62.100 0.116 0.000 1.055 88 T CB 1.838 70.578 68.868 -0.213 0.000 1.261 88 T HN -0.071 nan 8.240 nan 0.000 0.485 89 E N 2.103 122.458 120.200 0.259 0.000 2.208 89 E HA 0.095 4.445 4.350 -0.000 0.000 0.193 89 E C 0.741 177.508 176.600 0.279 0.000 0.988 89 E CA 0.454 57.019 56.400 0.275 0.000 0.828 89 E CB 0.037 29.910 29.700 0.287 0.000 0.763 89 E HN 0.563 nan 8.360 nan 0.000 0.478 90 L N 2.073 123.438 121.223 0.236 0.000 2.439 90 L HA 0.128 4.468 4.340 -0.000 0.000 0.269 90 L C 0.775 177.778 176.870 0.221 0.000 1.179 90 L CA 0.111 55.076 54.840 0.209 0.000 0.828 90 L CB 0.331 42.500 42.059 0.185 0.000 1.106 90 L HN -0.173 nan 8.230 nan 0.000 0.467 91 R N 0.989 121.479 120.500 -0.017 0.000 2.854 91 R HA 0.704 5.043 4.340 -0.000 0.000 0.271 91 R C -0.614 175.254 176.300 -0.720 0.000 0.994 91 R CA -0.595 55.196 56.100 -0.515 0.000 0.945 91 R CB 2.233 31.846 30.300 -1.144 0.000 1.194 91 R HN 0.651 nan 8.270 nan 0.000 0.476 92 T N -1.259 112.817 114.554 -0.796 0.000 2.802 92 T HA 0.191 4.541 4.350 -0.000 0.000 0.311 92 T C 0.655 175.269 174.700 -0.143 0.000 1.405 92 T CA -0.407 61.435 62.100 -0.431 0.000 1.016 92 T CB 1.323 69.677 68.868 -0.857 0.000 1.352 92 T HN 0.309 nan 8.240 nan 0.000 0.498 93 V N -0.518 119.430 119.914 0.057 0.000 3.129 93 V HA 0.400 4.520 4.120 -0.000 0.000 0.259 93 V C 0.359 176.461 176.094 0.013 0.000 1.116 93 V CA 1.223 63.580 62.300 0.095 0.000 1.127 93 V CB -0.289 31.584 31.823 0.083 0.000 0.742 93 V HN 0.774 nan 8.190 nan 0.000 0.474 94 D N -1.690 118.654 120.400 -0.093 0.000 2.484 94 D HA 0.163 4.803 4.640 -0.000 0.000 0.206 94 D C -0.409 175.840 176.300 -0.084 0.000 1.322 94 D CA -0.515 53.487 54.000 0.004 0.000 0.913 94 D CB 0.553 41.417 40.800 0.107 0.000 1.559 94 D HN 0.182 nan 8.370 nan 0.000 0.565 95 W N 2.370 123.660 121.300 -0.017 0.000 2.825 95 W HA 0.078 4.738 4.660 -0.000 0.000 0.243 95 W C 1.411 177.749 176.519 -0.302 0.000 1.293 95 W CA -0.072 57.164 57.345 -0.183 0.000 1.403 95 W CB 0.042 29.308 29.460 -0.324 0.000 1.134 95 W HN 0.377 nan 8.180 nan 0.000 0.666 96 F N 0.011 120.031 119.950 0.118 0.000 2.727 96 F HA 0.152 4.678 4.527 -0.000 0.000 0.302 96 F C 2.207 177.960 175.800 -0.079 0.000 1.097 96 F CA 0.846 58.821 58.000 -0.043 0.000 1.330 96 F CB -0.916 37.951 39.000 -0.222 0.000 1.084 96 F HN -0.162 nan 8.300 nan 0.000 0.578 97 K N 0.077 120.546 120.400 0.114 0.000 2.155 97 K HA -0.119 4.201 4.320 -0.000 0.000 0.203 97 K C 0.865 177.492 176.600 0.044 0.000 1.052 97 K CA 0.859 57.171 56.287 0.041 0.000 0.948 97 K CB -1.275 31.236 32.500 0.019 0.000 0.728 97 K HN 0.529 nan 8.250 nan 0.000 0.448 98 H N 0.866 119.940 119.070 0.005 0.000 3.016 98 H HA 0.071 4.627 4.556 -0.000 0.000 0.345 98 H C -0.707 174.652 175.328 0.052 0.000 1.066 98 H CA 0.270 56.333 56.048 0.025 0.000 1.390 98 H CB 0.441 30.229 29.762 0.044 0.000 1.344 98 H HN 0.194 nan 8.280 nan 0.000 0.605 99 R N 3.538 123.743 120.500 -0.490 0.000 2.510 99 R HA 0.051 4.391 4.340 -0.000 0.000 0.287 99 R C -1.269 174.880 176.300 -0.251 0.000 1.084 99 R CA -0.868 55.073 56.100 -0.266 0.000 0.934 99 R CB 1.308 31.539 30.300 -0.116 0.000 1.201 99 R HN 0.749 nan 8.270 nan 0.000 0.431 100 D N 4.186 124.489 120.400 -0.162 0.000 2.382 100 D HA 0.106 4.745 4.640 -0.000 0.000 0.259 100 D C -1.470 174.868 176.300 0.064 0.000 1.224 100 D CA -1.821 52.178 54.000 -0.003 0.000 0.894 100 D CB 1.325 42.092 40.800 -0.055 0.000 1.127 100 D HN 0.117 nan 8.370 nan 0.000 0.487 101 P HA -0.096 nan 4.420 nan 0.000 0.220 101 P C 1.149 178.466 177.300 0.027 0.000 1.144 101 P CA 0.919 64.151 63.100 0.218 0.000 0.800 101 P CB 0.180 31.999 31.700 0.197 0.000 0.772 102 L N -1.839 119.371 121.223 -0.023 0.000 2.558 102 L HA 0.150 4.490 4.340 -0.000 0.000 0.225 102 L C 0.504 177.250 176.870 -0.207 0.000 1.128 102 L CA 0.048 54.840 54.840 -0.081 0.000 0.868 102 L CB -0.481 41.578 42.059 -0.001 0.000 1.006 102 L HN -0.080 nan 8.230 nan 0.000 0.454 103 R N 0.758 121.003 120.500 -0.425 0.000 3.333 103 R HA -0.172 4.168 4.340 -0.000 0.000 0.256 103 R C -0.337 175.659 176.300 -0.507 0.000 1.010 103 R CA 0.352 55.915 56.100 -0.895 0.000 0.680 103 R CB -1.818 28.235 30.300 -0.412 0.000 1.102 103 R HN 0.394 nan 8.270 nan 0.000 0.440 104 R N 1.743 122.059 120.500 -0.308 0.000 2.210 104 R HA 0.178 4.518 4.340 -0.000 0.000 0.338 104 R C 0.596 177.194 176.300 0.496 0.000 1.062 104 R CA -0.294 55.878 56.100 0.121 0.000 0.902 104 R CB 0.496 30.909 30.300 0.188 0.000 1.050 104 R HN 0.285 nan 8.270 nan 0.000 0.461 105 W N 2.297 123.810 121.300 0.355 0.000 2.568 105 W HA 0.243 4.903 4.660 -0.000 0.000 0.396 105 W C 1.155 177.930 176.519 0.426 0.000 1.554 105 W CA -0.909 56.682 57.345 0.409 0.000 1.605 105 W CB -0.402 29.248 29.460 0.317 0.000 1.543 105 W HN 0.499 nan 8.180 nan 0.000 0.692 106 H N 0.776 120.121 119.070 0.459 0.000 2.319 106 H HA -0.163 4.392 4.556 -0.000 0.000 0.299 106 H C 2.087 177.300 175.328 -0.191 0.000 1.092 106 H CA 3.068 59.244 56.048 0.214 0.000 1.302 106 H CB -0.346 29.561 29.762 0.241 0.000 1.373 106 H HN 0.524 nan 8.280 nan 0.000 0.497 107 A N 1.374 123.874 122.820 -0.534 0.000 1.851 107 A HA -0.130 4.190 4.320 -0.000 0.000 0.216 107 A C -0.071 177.159 177.584 -0.589 0.000 1.195 107 A CA 1.820 53.451 52.037 -0.677 0.000 0.622 107 A CB -1.496 16.811 19.000 -1.154 0.000 0.831 107 A HN 0.426 nan 8.150 nan 0.000 0.444 108 P HA -0.149 nan 4.420 nan 0.000 0.218 108 P C 1.401 178.522 177.300 -0.298 0.000 1.149 108 P CA 1.171 64.030 63.100 -0.402 0.000 0.817 108 P CB -0.158 31.339 31.700 -0.338 0.000 0.785 109 Y N 1.218 121.224 120.300 -0.491 0.000 2.114 109 Y HA -0.190 4.359 4.550 -0.000 0.000 0.284 109 Y C 2.030 177.622 175.900 -0.514 0.000 1.143 109 Y CA 1.522 59.263 58.100 -0.599 0.000 1.135 109 Y CB -1.073 36.720 38.460 -1.112 0.000 0.980 109 Y HN -0.184 nan 8.280 nan 0.000 0.499 110 V N -0.834 118.725 119.914 -0.592 0.000 2.667 110 V HA -0.151 3.969 4.120 -0.000 0.000 0.252 110 V C 2.255 178.157 176.094 -0.320 0.000 1.065 110 V CA 1.990 63.987 62.300 -0.505 0.000 1.083 110 V CB -0.927 30.679 31.823 -0.361 0.000 0.692 110 V HN 0.363 nan 8.190 nan 0.000 0.468 111 K N 0.674 120.909 120.400 -0.275 0.000 2.002 111 K HA -0.232 4.087 4.320 -0.000 0.000 0.209 111 K C 1.897 178.402 176.600 -0.159 0.000 1.048 111 K CA 2.265 58.445 56.287 -0.178 0.000 0.930 111 K CB -0.325 32.075 32.500 -0.167 0.000 0.714 111 K HN 0.502 nan 8.250 nan 0.000 0.438 112 D N 0.497 120.776 120.400 -0.202 0.000 2.117 112 D HA -0.157 4.483 4.640 -0.000 0.000 0.197 112 D C 1.781 177.996 176.300 -0.143 0.000 0.987 112 D CA 1.137 55.046 54.000 -0.152 0.000 0.829 112 D CB -0.067 40.642 40.800 -0.152 0.000 0.961 112 D HN 0.264 nan 8.370 nan 0.000 0.460 113 K N 0.476 120.710 120.400 -0.277 0.000 2.097 113 K HA -0.044 4.276 4.320 -0.000 0.000 0.205 113 K C 1.960 178.534 176.600 -0.045 0.000 1.050 113 K CA 1.079 57.233 56.287 -0.220 0.000 0.938 113 K CB 0.006 32.234 32.500 -0.453 0.000 0.718 113 K HN 0.038 nan 8.250 nan 0.000 0.442 114 A N 1.361 124.152 122.820 -0.047 0.000 1.902 114 A HA -0.183 4.137 4.320 -0.000 0.000 0.217 114 A C 1.782 179.442 177.584 0.128 0.000 1.181 114 A CA 1.614 53.701 52.037 0.083 0.000 0.623 114 A CB -0.424 18.596 19.000 0.035 0.000 0.818 114 A HN 0.454 nan 8.150 nan 0.000 0.443 115 E N -0.237 119.997 120.200 0.057 0.000 2.077 115 E HA -0.223 4.127 4.350 -0.000 0.000 0.193 115 E C 1.967 178.655 176.600 0.147 0.000 0.989 115 E CA 1.454 57.895 56.400 0.067 0.000 0.800 115 E CB -0.203 29.502 29.700 0.009 0.000 0.746 115 E HN 0.747 nan 8.360 nan 0.000 0.452 116 E N 0.308 120.603 120.200 0.158 0.000 2.110 116 E HA -0.167 4.183 4.350 -0.000 0.000 0.193 116 E C 1.658 178.470 176.600 0.352 0.000 0.988 116 E CA 0.806 57.345 56.400 0.231 0.000 0.804 116 E CB -0.185 29.625 29.700 0.183 0.000 0.745 116 E HN 0.430 nan 8.360 nan 0.000 0.458 117 W N 1.612 122.960 121.300 0.081 0.000 2.379 117 W HA -0.186 4.474 4.660 -0.000 0.000 0.307 117 W C 1.925 178.496 176.519 0.087 0.000 1.200 117 W CA 0.712 58.104 57.345 0.077 0.000 1.297 117 W CB 0.090 29.571 29.460 0.035 0.000 1.140 117 W HN -0.037 nan 8.180 nan 0.000 0.507 118 R N -0.587 119.968 120.500 0.092 0.000 2.075 118 R HA -0.222 4.118 4.340 -0.000 0.000 0.232 118 R C 2.101 178.416 176.300 0.024 0.000 1.126 118 R CA 1.612 57.662 56.100 -0.084 0.000 0.963 118 R CB -1.350 28.944 30.300 -0.010 0.000 0.858 118 R HN 0.293 nan 8.270 nan 0.000 0.435 119 Y N 2.099 122.414 120.300 0.025 0.000 2.293 119 Y HA -0.146 4.404 4.550 -0.000 0.000 0.291 119 Y C 2.137 178.105 175.900 0.114 0.000 1.137 119 Y CA 1.277 59.416 58.100 0.064 0.000 1.202 119 Y CB -0.380 38.136 38.460 0.093 0.000 0.990 119 Y HN -0.085 nan 8.280 nan 0.000 0.537 120 T N -0.187 114.411 114.554 0.075 0.000 2.746 120 T HA -0.197 4.153 4.350 -0.000 0.000 0.267 120 T C 1.462 176.063 174.700 -0.165 0.000 1.039 120 T CA 1.788 63.913 62.100 0.041 0.000 1.142 120 T CB -0.433 68.655 68.868 0.367 0.000 0.866 120 T HN 0.466 nan 8.240 nan 0.000 0.444 121 D N 0.289 120.541 120.400 -0.246 0.000 2.117 121 D HA -0.074 4.566 4.640 -0.000 0.000 0.197 121 D C 2.390 178.538 176.300 -0.254 0.000 0.987 121 D CA 0.975 54.777 54.000 -0.331 0.000 0.829 121 D CB 0.047 40.559 40.800 -0.479 0.000 0.961 121 D HN 0.130 nan 8.370 nan 0.000 0.460 122 R N -1.078 119.303 120.500 -0.198 0.000 2.073 122 R HA -0.086 4.254 4.340 -0.000 0.000 0.234 122 R C 2.105 178.272 176.300 -0.223 0.000 1.134 122 R CA 1.353 57.366 56.100 -0.146 0.000 0.952 122 R CB -0.580 29.707 30.300 -0.022 0.000 0.850 122 R HN 0.262 nan 8.270 nan 0.000 0.433 123 F N 0.998 120.625 119.950 -0.539 0.000 2.095 123 F HA -0.207 4.320 4.527 -0.000 0.000 0.298 123 F C 1.601 177.083 175.800 -0.531 0.000 1.104 123 F CA 1.605 59.192 58.000 -0.688 0.000 1.232 123 F CB -0.370 37.835 39.000 -1.326 0.000 0.987 123 F HN -0.047 nan 8.300 nan 0.000 0.475 124 L N -0.027 120.727 121.223 -0.783 0.000 2.046 124 L HA -0.242 4.098 4.340 -0.000 0.000 0.208 124 L C 2.573 179.222 176.870 -0.367 0.000 1.077 124 L CA 1.580 55.908 54.840 -0.854 0.000 0.747 124 L CB -0.951 40.626 42.059 -0.804 0.000 0.896 124 L HN 0.265 nan 8.230 nan 0.000 0.432 125 Q N -0.301 119.354 119.800 -0.243 0.000 2.170 125 Q HA -0.137 4.203 4.340 -0.000 0.000 0.203 125 Q C 2.287 178.218 176.000 -0.115 0.000 0.976 125 Q CA 1.411 57.152 55.803 -0.104 0.000 0.858 125 Q CB -0.314 28.366 28.738 -0.098 0.000 0.907 125 Q HN 0.625 nan 8.270 nan 0.000 0.433 126 G N -0.149 108.531 108.800 -0.200 0.000 2.403 126 G HA2 -0.268 3.692 3.960 -0.000 0.000 0.216 126 G HA3 -0.268 3.692 3.960 -0.000 0.000 0.216 126 G C 1.174 175.962 174.900 -0.187 0.000 1.154 126 G CA 0.356 45.354 45.100 -0.170 0.000 0.784 126 G HN 0.339 nan 8.290 nan 0.000 0.538 127 Y N 2.701 122.717 120.300 -0.472 0.000 2.145 127 Y HA -0.203 4.346 4.550 -0.000 0.000 0.286 127 Y C 3.192 179.017 175.900 -0.125 0.000 1.145 127 Y CA 2.121 59.979 58.100 -0.402 0.000 1.148 127 Y CB -0.078 37.943 38.460 -0.733 0.000 0.981 127 Y HN 0.317 nan 8.280 nan 0.000 0.507 128 S N 0.173 115.982 115.700 0.182 0.000 2.355 128 S HA -0.167 4.303 4.470 -0.000 0.000 0.222 128 S C 2.226 176.804 174.600 -0.036 0.000 1.031 128 S CA 0.871 59.143 58.200 0.121 0.000 0.993 128 S CB -1.129 62.186 63.200 0.192 0.000 0.859 128 S HN 0.486 nan 8.310 nan 0.000 0.453 129 A N 1.725 124.517 122.820 -0.046 0.000 1.969 129 A HA -0.049 4.271 4.320 -0.000 0.000 0.218 129 A C 1.873 179.402 177.584 -0.091 0.000 1.169 129 A CA 1.657 53.656 52.037 -0.063 0.000 0.635 129 A CB -0.878 18.089 19.000 -0.054 0.000 0.810 129 A HN 0.498 nan 8.150 nan 0.000 0.445 130 D N -1.090 119.232 120.400 -0.130 0.000 2.349 130 D HA 0.210 4.850 4.640 -0.000 0.000 0.224 130 D C 1.323 177.511 176.300 -0.187 0.000 1.029 130 D CA 0.960 54.870 54.000 -0.149 0.000 0.879 130 D CB -0.354 40.346 40.800 -0.166 0.000 0.906 130 D HN 0.476 nan 8.370 nan 0.000 0.528 131 G N 1.079 109.760 108.800 -0.198 0.000 2.296 131 G HA2 -0.418 3.542 3.960 -0.000 0.000 0.282 131 G HA3 -0.418 3.542 3.960 -0.000 0.000 0.282 131 G C 0.972 175.711 174.900 -0.267 0.000 1.014 131 G CA 0.755 45.739 45.100 -0.194 0.000 0.812 131 G HN 0.453 nan 8.290 nan 0.000 0.508 132 Q N -1.211 118.297 119.800 -0.487 0.000 2.364 132 Q HA 0.017 4.357 4.340 -0.000 0.000 0.209 132 Q C 2.508 178.285 176.000 -0.372 0.000 0.977 132 Q CA 1.039 56.528 55.803 -0.523 0.000 0.885 132 Q CB -0.050 28.193 28.738 -0.825 0.000 0.941 132 Q HN 0.686 nan 8.270 nan 0.000 0.464 133 I N 0.814 121.201 120.570 -0.304 0.000 2.756 133 I HA -0.214 3.956 4.170 -0.000 0.000 0.262 133 I C 1.738 177.871 176.117 0.026 0.000 1.225 133 I CA 1.105 62.418 61.300 0.022 0.000 1.472 133 I CB -0.036 38.013 38.000 0.083 0.000 1.094 133 I HN 0.010 nan 8.210 nan 0.000 0.454 134 R N 0.411 120.892 120.500 -0.031 0.000 2.105 134 R HA -0.085 4.255 4.340 -0.000 0.000 0.239 134 R C 2.018 178.333 176.300 0.025 0.000 1.135 134 R CA 1.377 57.474 56.100 -0.005 0.000 0.967 134 R CB -0.518 29.764 30.300 -0.030 0.000 0.861 134 R HN 0.457 nan 8.270 nan 0.000 0.442 135 A N 0.380 123.214 122.820 0.024 0.000 2.251 135 A HA 0.089 4.409 4.320 -0.000 0.000 0.209 135 A C 0.910 178.549 177.584 0.091 0.000 1.187 135 A CA -0.196 51.867 52.037 0.043 0.000 0.823 135 A CB -0.108 18.903 19.000 0.020 0.000 0.846 135 A HN 0.185 nan 8.150 nan 0.000 0.486 136 M N 1.660 121.341 119.600 0.136 0.000 2.146 136 M HA 0.107 4.587 4.480 -0.000 0.000 0.352 136 M C 0.024 176.461 176.300 0.229 0.000 1.343 136 M CA -0.358 55.066 55.300 0.207 0.000 1.115 136 M CB 0.246 33.006 32.600 0.267 0.000 1.657 136 M HN 0.376 nan 8.290 nan 0.000 0.471 137 N N 6.471 125.337 118.700 0.277 0.000 2.359 137 N HA -0.011 4.729 4.740 -0.000 0.000 0.261 137 N C -2.154 173.558 175.510 0.336 0.000 1.267 137 N CA -0.668 52.572 53.050 0.317 0.000 0.864 137 N CB 1.008 39.778 38.487 0.472 0.000 1.063 137 N HN 0.452 nan 8.380 nan 0.000 0.474 138 P HA -0.087 nan 4.420 nan 0.000 0.215 138 P C 1.090 178.546 177.300 0.259 0.000 1.157 138 P CA 1.618 64.858 63.100 0.234 0.000 0.868 138 P CB 0.158 31.965 31.700 0.177 0.000 0.788 139 T N -1.411 113.308 114.554 0.275 0.000 2.788 139 T HA -0.181 4.169 4.350 -0.000 0.000 0.268 139 T C 1.435 176.350 174.700 0.357 0.000 1.044 139 T CA 0.890 63.160 62.100 0.284 0.000 1.139 139 T CB -0.875 68.170 68.868 0.295 0.000 0.867 139 T HN 0.291 nan 8.240 nan 0.000 0.454 140 W N 2.908 124.302 121.300 0.156 0.000 2.358 140 W HA -0.110 4.550 4.660 -0.000 0.000 0.303 140 W C 2.348 179.015 176.519 0.247 0.000 1.208 140 W CA 1.152 58.535 57.345 0.064 0.000 1.274 140 W CB -0.392 28.870 29.460 -0.329 0.000 1.138 140 W HN 0.158 nan 8.180 nan 0.000 0.515 141 R N 0.650 121.331 120.500 0.302 0.000 2.070 141 R HA -0.175 4.165 4.340 -0.000 0.000 0.233 141 R C 1.770 178.231 176.300 0.268 0.000 1.137 141 R CA 2.275 58.526 56.100 0.252 0.000 0.945 141 R CB -0.796 29.683 30.300 0.300 0.000 0.845 141 R HN 0.021 nan 8.270 nan 0.000 0.430 142 D N -0.476 120.079 120.400 0.258 0.000 2.277 142 D HA -0.110 4.530 4.640 -0.000 0.000 0.208 142 D C 1.504 177.832 176.300 0.047 0.000 0.962 142 D CA 0.928 55.038 54.000 0.184 0.000 0.865 142 D CB 0.223 41.104 40.800 0.134 0.000 0.939 142 D HN 0.490 nan 8.370 nan 0.000 0.510 143 E N -0.618 119.611 120.200 0.049 0.000 2.121 143 E HA -0.018 4.332 4.350 -0.000 0.000 0.194 143 E C 1.654 178.154 176.600 -0.167 0.000 0.940 143 E CA 0.011 56.355 56.400 -0.094 0.000 0.884 143 E CB 0.133 29.768 29.700 -0.108 0.000 0.874 143 E HN 0.007 nan 8.360 nan 0.000 0.471 144 F N 1.006 120.923 119.950 -0.055 0.000 2.234 144 F HA 0.036 4.563 4.527 -0.000 0.000 0.296 144 F C 2.165 177.937 175.800 -0.046 0.000 1.089 144 F CA 0.721 58.683 58.000 -0.063 0.000 1.343 144 F CB -0.053 38.540 39.000 -0.678 0.000 1.040 144 F HN 0.081 nan 8.300 nan 0.000 0.498 145 I N -0.280 120.233 120.570 -0.096 0.000 2.235 145 I HA -0.255 3.915 4.170 -0.000 0.000 0.241 145 I C 2.507 178.753 176.117 0.215 0.000 1.085 145 I CA 1.214 62.561 61.300 0.079 0.000 1.378 145 I CB -0.516 37.519 38.000 0.059 0.000 1.076 145 I HN 0.201 nan 8.210 nan 0.000 0.415 146 N N 1.161 119.977 118.700 0.195 0.000 2.142 146 N HA -0.224 4.516 4.740 -0.000 0.000 0.186 146 N C 2.105 177.613 175.510 -0.003 0.000 1.023 146 N CA 1.416 54.559 53.050 0.156 0.000 0.852 146 N CB 0.194 38.694 38.487 0.020 0.000 0.998 146 N HN 0.283 nan 8.380 nan 0.000 0.424 147 R N -0.979 119.460 120.500 -0.102 0.000 2.062 147 R HA -0.023 4.317 4.340 -0.000 0.000 0.218 147 R C 1.921 178.088 176.300 -0.223 0.000 1.161 147 R CA 0.682 56.615 56.100 -0.279 0.000 0.994 147 R CB -0.328 29.626 30.300 -0.577 0.000 0.888 147 R HN 0.191 nan 8.270 nan 0.000 0.442 148 Y N -0.822 119.594 120.300 0.192 0.000 2.243 148 Y HA -0.156 4.394 4.550 -0.000 0.000 0.293 148 Y C 2.230 178.449 175.900 0.533 0.000 1.124 148 Y CA 1.105 59.485 58.100 0.467 0.000 1.159 148 Y CB -0.382 38.348 38.460 0.449 0.000 1.008 148 Y HN 0.297 nan 8.280 nan 0.000 0.527 149 W N 0.977 122.363 121.300 0.144 0.000 2.418 149 W HA -0.095 4.564 4.660 -0.000 0.000 0.292 149 W C 2.011 178.487 176.519 -0.073 0.000 1.213 149 W CA 1.191 58.311 57.345 -0.375 0.000 1.283 149 W CB -0.365 28.742 29.460 -0.588 0.000 1.119 149 W HN 0.163 nan 8.180 nan 0.000 0.542 150 G N 0.799 109.586 108.800 -0.022 0.000 2.418 150 G HA2 -0.264 3.696 3.960 -0.000 0.000 0.217 150 G HA3 -0.264 3.696 3.960 -0.000 0.000 0.217 150 G C 1.621 176.463 174.900 -0.098 0.000 1.158 150 G CA 1.408 46.431 45.100 -0.128 0.000 0.771 150 G HN 0.341 nan 8.290 nan 0.000 0.545 151 A N 0.152 122.989 122.820 0.029 0.000 2.015 151 A HA 0.107 4.427 4.320 -0.000 0.000 0.219 151 A C 2.082 179.539 177.584 -0.213 0.000 1.163 151 A CA 1.255 53.328 52.037 0.060 0.000 0.646 151 A CB -0.492 18.590 19.000 0.137 0.000 0.806 151 A HN 0.375 nan 8.150 nan 0.000 0.448 152 F N 1.172 120.848 119.950 -0.456 0.000 2.333 152 F HA -0.119 4.408 4.527 -0.000 0.000 0.300 152 F C 1.762 177.187 175.800 -0.626 0.000 1.083 152 F CA 1.190 58.865 58.000 -0.541 0.000 1.395 152 F CB -0.238 38.509 39.000 -0.422 0.000 1.056 152 F HN 0.289 nan 8.300 nan 0.000 0.529 153 L N -1.637 119.174 121.223 -0.686 0.000 2.131 153 L HA -0.104 4.235 4.340 -0.000 0.000 0.210 153 L C 1.829 178.174 176.870 -0.875 0.000 1.092 153 L CA 1.778 56.145 54.840 -0.788 0.000 0.759 153 L CB -1.997 39.598 42.059 -0.774 0.000 0.903 153 L HN 0.001 nan 8.230 nan 0.000 0.435 154 F N 0.613 120.009 119.950 -0.923 0.000 2.293 154 F HA -0.077 4.450 4.527 -0.000 0.000 0.300 154 F C 2.604 177.686 175.800 -1.196 0.000 1.086 154 F CA 1.398 58.739 58.000 -1.099 0.000 1.375 154 F CB -0.797 37.145 39.000 -1.763 0.000 1.045 154 F HN 0.355 nan 8.300 nan 0.000 0.516 155 N N 0.746 118.688 118.700 -1.262 0.000 2.080 155 N HA -0.173 4.567 4.740 -0.000 0.000 0.189 155 N C 1.731 176.957 175.510 -0.473 0.000 1.036 155 N CA 1.445 54.047 53.050 -0.747 0.000 0.846 155 N CB -0.021 38.077 38.487 -0.648 0.000 1.015 155 N HN 0.188 nan 8.380 nan 0.000 0.423 156 E N 0.064 119.862 120.200 -0.671 0.000 2.110 156 E HA -0.192 4.158 4.350 -0.000 0.000 0.193 156 E C 1.747 178.223 176.600 -0.206 0.000 0.988 156 E CA 0.665 56.840 56.400 -0.375 0.000 0.804 156 E CB -0.626 28.840 29.700 -0.390 0.000 0.745 156 E HN 0.532 nan 8.360 nan 0.000 0.458 157 Y N 1.454 121.529 120.300 -0.376 0.000 2.181 157 Y HA -0.103 4.447 4.550 -0.000 0.000 0.288 157 Y C 2.367 178.169 175.900 -0.165 0.000 1.146 157 Y CA 1.784 59.737 58.100 -0.245 0.000 1.164 157 Y CB -0.616 37.631 38.460 -0.356 0.000 0.982 157 Y HN 0.019 nan 8.280 nan 0.000 0.515 158 G N 0.267 108.944 108.800 -0.205 0.000 2.418 158 G HA2 -0.218 3.742 3.960 -0.000 0.000 0.217 158 G HA3 -0.218 3.742 3.960 -0.000 0.000 0.217 158 G C 1.666 176.356 174.900 -0.350 0.000 1.158 158 G CA 1.122 46.085 45.100 -0.228 0.000 0.771 158 G HN 0.448 nan 8.290 nan 0.000 0.545 159 L N -0.395 120.721 121.223 -0.179 0.000 2.141 159 L HA 0.029 4.369 4.340 -0.000 0.000 0.209 159 L C 2.568 179.414 176.870 -0.041 0.000 1.094 159 L CA 0.892 55.670 54.840 -0.104 0.000 0.763 159 L CB -0.476 41.593 42.059 0.016 0.000 0.908 159 L HN 0.308 nan 8.230 nan 0.000 0.437 160 F N 1.537 121.331 119.950 -0.259 0.000 2.075 160 F HA -0.214 4.313 4.527 -0.000 0.000 0.297 160 F C 2.020 177.615 175.800 -0.342 0.000 1.113 160 F CA 1.922 59.764 58.000 -0.264 0.000 1.218 160 F CB -0.708 38.061 39.000 -0.385 0.000 0.984 160 F HN 0.032 nan 8.300 nan 0.000 0.472 161 N N 0.258 118.134 118.700 -1.374 0.000 2.289 161 N HA -0.104 4.636 4.740 -0.000 0.000 0.184 161 N C 1.904 176.626 175.510 -1.313 0.000 1.016 161 N CA 0.843 52.834 53.050 -1.765 0.000 0.872 161 N CB -0.312 36.675 38.487 -2.501 0.000 0.973 161 N HN 0.461 nan 8.380 nan 0.000 0.433 162 A N 0.157 122.446 122.820 -0.886 0.000 2.070 162 A HA -0.163 4.157 4.320 -0.000 0.000 0.220 162 A C 1.299 178.640 177.584 -0.406 0.000 1.159 162 A CA 1.328 53.074 52.037 -0.485 0.000 0.656 162 A CB -0.606 18.167 19.000 -0.378 0.000 0.800 162 A HN 0.379 nan 8.150 nan 0.000 0.453 163 H N 0.046 118.891 119.070 -0.376 0.000 2.547 163 H HA -0.014 4.542 4.556 -0.000 0.000 0.272 163 H C 2.495 177.689 175.328 -0.223 0.000 0.989 163 H CA 1.031 56.954 56.048 -0.208 0.000 1.214 163 H CB -0.022 29.660 29.762 -0.134 0.000 1.389 163 H HN 0.687 nan 8.280 nan 0.000 0.577 164 S N 0.332 115.888 115.700 -0.240 0.000 2.359 164 S HA -0.357 4.113 4.470 -0.000 0.000 0.223 164 S C 2.105 176.653 174.600 -0.086 0.000 1.039 164 S CA 1.682 59.777 58.200 -0.175 0.000 1.042 164 S CB -0.337 62.750 63.200 -0.189 0.000 0.915 164 S HN 0.601 nan 8.310 nan 0.000 0.439 165 Q N 1.514 121.270 119.800 -0.073 0.000 2.124 165 Q HA -0.041 4.298 4.340 -0.000 0.000 0.202 165 Q C 2.256 178.242 176.000 -0.024 0.000 0.977 165 Q CA 1.536 57.316 55.803 -0.039 0.000 0.850 165 Q CB -0.908 27.803 28.738 -0.044 0.000 0.901 165 Q HN 0.722 nan 8.270 nan 0.000 0.429 166 G N 0.203 109.001 108.800 -0.004 0.000 2.422 166 G HA2 -0.229 3.731 3.960 -0.000 0.000 0.218 166 G HA3 -0.229 3.731 3.960 -0.000 0.000 0.218 166 G C 1.451 176.262 174.900 -0.148 0.000 1.146 166 G CA 0.739 45.836 45.100 -0.005 0.000 0.769 166 G HN 0.487 nan 8.290 nan 0.000 0.547 167 A N 0.694 123.459 122.820 -0.091 0.000 1.978 167 A HA -0.050 4.270 4.320 -0.000 0.000 0.220 167 A C 2.315 179.837 177.584 -0.103 0.000 1.170 167 A CA 2.213 54.184 52.037 -0.109 0.000 0.636 167 A CB -0.299 18.663 19.000 -0.064 0.000 0.810 167 A HN 0.363 nan 8.150 nan 0.000 0.448 168 R N -0.354 120.099 120.500 -0.079 0.000 2.112 168 R HA 0.045 4.385 4.340 -0.000 0.000 0.216 168 R C 1.353 177.657 176.300 0.008 0.000 1.080 168 R CA 1.492 57.574 56.100 -0.030 0.000 0.996 168 R CB -0.147 30.138 30.300 -0.026 0.000 0.902 168 R HN 0.391 nan 8.270 nan 0.000 0.449 169 E N 0.634 120.737 120.200 -0.161 0.000 2.452 169 E HA 0.236 4.586 4.350 -0.000 0.000 0.197 169 E C 0.067 176.055 176.600 -1.020 0.000 1.022 169 E CA 0.501 56.713 56.400 -0.313 0.000 0.890 169 E CB 0.210 29.769 29.700 -0.234 0.000 0.918 169 E HN 0.347 nan 8.360 nan 0.000 0.496 170 A N 1.430 123.500 122.820 -1.249 0.000 2.587 170 A HA -0.026 4.293 4.320 -0.000 0.000 0.235 170 A C 0.972 177.672 177.584 -1.474 0.000 1.044 170 A CA 0.299 51.217 52.037 -1.865 0.000 0.754 170 A CB -0.005 18.364 19.000 -1.052 0.000 0.968 170 A HN 0.240 nan 8.150 nan 0.000 0.509 171 L N 2.060 122.405 121.223 -1.465 0.000 2.629 171 L HA 0.148 4.488 4.340 -0.000 0.000 0.230 171 L C 0.746 177.039 176.870 -0.962 0.000 1.151 171 L CA 0.650 54.816 54.840 -1.123 0.000 0.924 171 L CB -0.752 40.573 42.059 -1.223 0.000 1.137 171 L HN 0.855 nan 8.230 nan 0.000 0.457 172 S N -3.491 111.693 115.700 -0.860 0.000 2.565 172 S HA 0.206 4.676 4.470 -0.000 0.000 0.269 172 S C -0.029 174.274 174.600 -0.496 0.000 1.153 172 S CA -0.610 57.130 58.200 -0.766 0.000 0.835 172 S CB 1.476 64.199 63.200 -0.795 0.000 1.122 172 S HN 0.150 nan 8.310 nan 0.000 0.462 173 D N 1.709 121.936 120.400 -0.288 0.000 2.084 173 D HA -0.159 4.481 4.640 -0.000 0.000 0.194 173 D C 2.140 178.328 176.300 -0.188 0.000 0.990 173 D CA 1.731 55.611 54.000 -0.200 0.000 0.826 173 D CB -1.003 39.748 40.800 -0.082 0.000 0.971 173 D HN 0.648 nan 8.370 nan 0.000 0.453 174 V N -0.238 119.603 119.914 -0.122 0.000 2.392 174 V HA -0.254 3.866 4.120 -0.000 0.000 0.249 174 V C 2.415 178.534 176.094 0.041 0.000 1.059 174 V CA 2.309 64.575 62.300 -0.057 0.000 1.051 174 V CB -1.860 29.941 31.823 -0.037 0.000 0.658 174 V HN 0.473 nan 8.190 nan 0.000 0.455 175 T N -0.924 113.621 114.554 -0.015 0.000 2.896 175 T HA -0.153 4.197 4.350 -0.000 0.000 0.263 175 T C 2.033 176.550 174.700 -0.305 0.000 1.050 175 T CA 1.300 63.347 62.100 -0.088 0.000 1.140 175 T CB -0.441 68.394 68.868 -0.054 0.000 0.877 175 T HN 0.560 nan 8.240 nan 0.000 0.457 176 R N 0.927 121.212 120.500 -0.359 0.000 2.073 176 R HA -0.044 4.296 4.340 -0.000 0.000 0.234 176 R C 2.266 178.299 176.300 -0.444 0.000 1.134 176 R CA 1.475 57.337 56.100 -0.396 0.000 0.952 176 R CB -0.743 29.333 30.300 -0.373 0.000 0.850 176 R HN 0.319 nan 8.270 nan 0.000 0.433 177 V N 0.440 120.082 119.914 -0.453 0.000 2.343 177 V HA -0.220 3.899 4.120 -0.000 0.000 0.247 177 V C 2.319 177.835 176.094 -0.964 0.000 1.051 177 V CA 2.112 63.987 62.300 -0.708 0.000 1.036 177 V CB -0.375 31.148 31.823 -0.500 0.000 0.654 177 V HN 0.390 nan 8.190 nan 0.000 0.451 178 S N -0.211 115.091 115.700 -0.665 0.000 2.356 178 S HA -0.151 4.318 4.470 -0.000 0.000 0.223 178 S C 1.886 175.597 174.600 -1.481 0.000 1.032 178 S CA 1.421 59.106 58.200 -0.857 0.000 1.005 178 S CB -0.388 62.493 63.200 -0.532 0.000 0.867 178 S HN 0.367 nan 8.310 nan 0.000 0.449 179 L N 1.798 122.323 121.223 -1.164 0.000 2.042 179 L HA -0.052 4.287 4.340 -0.000 0.000 0.210 179 L C 2.459 179.133 176.870 -0.327 0.000 1.076 179 L CA 1.909 56.318 54.840 -0.719 0.000 0.749 179 L CB -1.264 40.608 42.059 -0.311 0.000 0.893 179 L HN 0.285 nan 8.230 nan 0.000 0.432 180 A N -1.268 121.318 122.820 -0.389 0.000 1.902 180 A HA -0.219 4.101 4.320 -0.000 0.000 0.217 180 A C 2.294 179.851 177.584 -0.046 0.000 1.181 180 A CA 1.785 53.695 52.037 -0.212 0.000 0.623 180 A CB -1.018 17.801 19.000 -0.302 0.000 0.818 180 A HN 0.480 nan 8.150 nan 0.000 0.443 181 F N -1.984 117.739 119.950 -0.379 0.000 2.293 181 F HA -0.206 4.321 4.527 -0.000 0.000 0.300 181 F C 2.247 178.026 175.800 -0.034 0.000 1.086 181 F CA -0.022 57.729 58.000 -0.414 0.000 1.375 181 F CB -0.201 38.350 39.000 -0.748 0.000 1.045 181 F HN 0.350 nan 8.300 nan 0.000 0.516 182 W N 0.696 122.026 121.300 0.050 0.000 2.381 182 W HA 0.009 4.669 4.660 -0.000 0.000 0.301 182 W C 2.510 178.939 176.519 -0.151 0.000 1.205 182 W CA 0.997 58.327 57.345 -0.025 0.000 1.285 182 W CB -1.724 27.719 29.460 -0.028 0.000 1.133 182 W HN -0.043 nan 8.180 nan 0.000 0.521 183 G N -0.370 108.328 108.800 -0.171 0.000 2.404 183 G HA2 -0.290 3.670 3.960 -0.000 0.000 0.215 183 G HA3 -0.290 3.670 3.960 -0.000 0.000 0.215 183 G C 1.482 176.501 174.900 0.199 0.000 1.174 183 G CA 0.683 45.573 45.100 -0.351 0.000 0.780 183 G HN 0.112 nan 8.290 nan 0.000 0.537 184 F N 1.806 121.814 119.950 0.097 0.000 2.216 184 F HA -0.026 4.501 4.527 -0.000 0.000 0.300 184 F C 2.131 177.943 175.800 0.019 0.000 1.085 184 F CA 1.502 59.556 58.000 0.091 0.000 1.326 184 F CB -0.031 39.074 39.000 0.174 0.000 1.027 184 F HN 0.089 nan 8.300 nan 0.000 0.497 185 D N -0.333 120.148 120.400 0.134 0.000 2.178 185 D HA -0.113 4.527 4.640 -0.000 0.000 0.202 185 D C 2.227 178.549 176.300 0.038 0.000 0.974 185 D CA 0.765 54.744 54.000 -0.035 0.000 0.841 185 D CB -0.068 40.703 40.800 -0.048 0.000 0.953 185 D HN 0.103 nan 8.370 nan 0.000 0.478 186 K N 0.416 120.855 120.400 0.066 0.000 2.057 186 K HA -0.051 4.269 4.320 -0.000 0.000 0.206 186 K C 2.084 178.626 176.600 -0.096 0.000 1.050 186 K CA 0.237 56.559 56.287 0.060 0.000 0.935 186 K CB -0.445 32.124 32.500 0.115 0.000 0.715 186 K HN 0.211 nan 8.250 nan 0.000 0.439 187 I N 2.040 122.443 120.570 -0.278 0.000 2.394 187 I HA -0.230 3.940 4.170 -0.000 0.000 0.251 187 I C 1.833 177.680 176.117 -0.451 0.000 1.136 187 I CA 1.475 62.435 61.300 -0.565 0.000 1.425 187 I CB -0.286 36.996 38.000 -1.197 0.000 1.079 187 I HN 0.078 nan 8.210 nan 0.000 0.425 188 D N 0.601 120.752 120.400 -0.415 0.000 2.097 188 D HA -0.202 4.438 4.640 -0.000 0.000 0.195 188 D C 2.155 178.374 176.300 -0.135 0.000 0.989 188 D CA 1.806 55.615 54.000 -0.319 0.000 0.827 188 D CB -0.208 40.442 40.800 -0.249 0.000 0.966 188 D HN 0.485 nan 8.370 nan 0.000 0.456 189 I N 0.532 121.086 120.570 -0.027 0.000 2.226 189 I HA -0.228 3.942 4.170 -0.000 0.000 0.245 189 I C 2.555 178.587 176.117 -0.141 0.000 1.100 189 I CA 1.031 62.339 61.300 0.013 0.000 1.374 189 I CB -0.318 37.745 38.000 0.105 0.000 1.057 189 I HN -0.000 nan 8.210 nan 0.000 0.413 190 A N 0.323 123.004 122.820 -0.232 0.000 1.902 190 A HA -0.259 4.060 4.320 -0.000 0.000 0.217 190 A C 2.248 179.617 177.584 -0.359 0.000 1.181 190 A CA 1.619 53.444 52.037 -0.352 0.000 0.623 190 A CB -0.604 18.192 19.000 -0.341 0.000 0.818 190 A HN 0.487 nan 8.150 nan 0.000 0.443 191 Q N -1.346 118.265 119.800 -0.316 0.000 2.224 191 Q HA -0.036 4.304 4.340 -0.000 0.000 0.203 191 Q C 1.950 177.800 176.000 -0.249 0.000 0.970 191 Q CA 1.103 56.726 55.803 -0.301 0.000 0.865 191 Q CB -0.167 28.376 28.738 -0.325 0.000 0.922 191 Q HN 0.523 nan 8.270 nan 0.000 0.445 192 M N -0.199 119.283 119.600 -0.197 0.000 2.349 192 M HA -0.035 4.445 4.480 -0.000 0.000 0.266 192 M C 1.970 178.052 176.300 -0.363 0.000 1.076 192 M CA 1.128 56.318 55.300 -0.184 0.000 1.126 192 M CB -0.364 32.279 32.600 0.072 0.000 1.392 192 M HN 0.253 nan 8.290 nan 0.000 0.440 193 I N -0.159 120.237 120.570 -0.291 0.000 2.252 193 I HA -0.291 3.879 4.170 -0.000 0.000 0.245 193 I C 2.564 178.507 176.117 -0.289 0.000 1.102 193 I CA 1.086 62.191 61.300 -0.325 0.000 1.385 193 I CB -0.354 37.289 38.000 -0.595 0.000 1.064 193 I HN 0.256 nan 8.210 nan 0.000 0.414 194 Q N 1.386 121.010 119.800 -0.293 0.000 2.119 194 Q HA -0.191 4.148 4.340 -0.000 0.000 0.201 194 Q C 2.099 178.008 176.000 -0.151 0.000 0.972 194 Q CA 1.602 57.276 55.803 -0.215 0.000 0.847 194 Q CB -0.494 28.098 28.738 -0.244 0.000 0.903 194 Q HN 0.505 nan 8.270 nan 0.000 0.433 195 L N 0.383 121.491 121.223 -0.191 0.000 2.042 195 L HA -0.206 4.134 4.340 -0.000 0.000 0.210 195 L C 2.357 179.145 176.870 -0.136 0.000 1.076 195 L CA 2.261 57.026 54.840 -0.125 0.000 0.749 195 L CB -0.381 41.614 42.059 -0.106 0.000 0.893 195 L HN 0.443 nan 8.230 nan 0.000 0.432 196 E N -0.464 119.534 120.200 -0.337 0.000 2.077 196 E HA -0.261 4.089 4.350 -0.000 0.000 0.193 196 E C 2.287 178.890 176.600 0.005 0.000 0.989 196 E CA 1.132 57.405 56.400 -0.211 0.000 0.800 196 E CB -0.032 29.501 29.700 -0.278 0.000 0.746 196 E HN 0.480 nan 8.360 nan 0.000 0.452 197 R N -0.363 120.146 120.500 0.015 0.000 2.092 197 R HA -0.061 4.278 4.340 -0.000 0.000 0.231 197 R C 2.524 178.900 176.300 0.126 0.000 1.119 197 R CA 1.096 57.277 56.100 0.135 0.000 0.970 197 R CB -0.411 29.999 30.300 0.184 0.000 0.864 197 R HN 0.250 nan 8.270 nan 0.000 0.440 198 G N 0.389 109.239 108.800 0.084 0.000 2.422 198 G HA2 -0.269 3.691 3.960 -0.000 0.000 0.218 198 G HA3 -0.269 3.691 3.960 -0.000 0.000 0.218 198 G C 1.170 176.130 174.900 0.100 0.000 1.140 198 G CA 0.122 45.277 45.100 0.091 0.000 0.775 198 G HN 0.243 nan 8.290 nan 0.000 0.545 199 F N 1.146 121.063 119.950 -0.056 0.000 2.163 199 F HA 0.159 4.686 4.527 -0.000 0.000 0.297 199 F C 2.351 178.076 175.800 -0.124 0.000 1.094 199 F CA 0.809 58.770 58.000 -0.064 0.000 1.290 199 F CB -0.184 38.786 39.000 -0.050 0.000 1.017 199 F HN 0.030 nan 8.300 nan 0.000 0.483 200 L N -0.090 120.955 121.223 -0.296 0.000 2.093 200 L HA -0.160 4.180 4.340 -0.000 0.000 0.208 200 L C 2.759 179.320 176.870 -0.515 0.000 1.085 200 L CA 1.078 55.530 54.840 -0.647 0.000 0.755 200 L CB -1.176 40.148 42.059 -1.225 0.000 0.904 200 L HN 0.227 nan 8.230 nan 0.000 0.435 201 A N 0.037 122.744 122.820 -0.188 0.000 1.972 201 A HA -0.203 4.117 4.320 -0.000 0.000 0.219 201 A C 2.321 179.891 177.584 -0.024 0.000 1.169 201 A CA 1.539 53.643 52.037 0.111 0.000 0.635 201 A CB -0.281 18.845 19.000 0.210 0.000 0.810 201 A HN 0.323 nan 8.150 nan 0.000 0.446 202 K N -0.514 119.812 120.400 -0.123 0.000 2.155 202 K HA 0.041 4.360 4.320 -0.000 0.000 0.203 202 K C 1.527 178.005 176.600 -0.203 0.000 1.052 202 K CA 1.464 57.668 56.287 -0.138 0.000 0.948 202 K CB -0.173 32.249 32.500 -0.129 0.000 0.728 202 K HN 0.812 nan 8.250 nan 0.000 0.448 203 I N -2.984 117.386 120.570 -0.334 0.000 4.082 203 I HA 0.150 4.319 4.170 -0.000 0.000 0.337 203 I C -0.276 175.735 176.117 -0.176 0.000 1.352 203 I CA -0.301 60.825 61.300 -0.290 0.000 1.097 203 I CB 1.029 38.761 38.000 -0.446 0.000 1.048 203 I HN -0.330 nan 8.210 nan 0.000 0.393 204 V N 3.159 122.991 119.914 -0.136 0.000 2.340 204 V HA 0.431 4.551 4.120 -0.000 0.000 0.277 204 V C -2.416 173.711 176.094 0.056 0.000 1.017 204 V CA -1.466 60.815 62.300 -0.032 0.000 0.820 204 V CB 0.977 32.779 31.823 -0.036 0.000 1.028 204 V HN 0.053 nan 8.190 nan 0.000 0.436 205 P HA 0.173 nan 4.420 nan 0.000 0.260 205 P C 1.130 178.477 177.300 0.079 0.000 1.172 205 P CA 1.737 64.865 63.100 0.047 0.000 0.760 205 P CB 0.546 32.262 31.700 0.027 0.000 0.773 206 G N 2.659 111.503 108.800 0.073 0.000 2.241 206 G HA2 -0.293 3.667 3.960 -0.000 0.000 0.244 206 G HA3 -0.293 3.667 3.960 -0.000 0.000 0.244 206 G C 0.092 175.034 174.900 0.070 0.000 0.998 206 G CA -0.507 44.628 45.100 0.058 0.000 0.621 206 G HN 0.531 nan 8.290 nan 0.000 0.519 207 F N 2.951 122.895 119.950 -0.009 0.000 2.502 207 F HA 0.484 5.011 4.527 -0.000 0.000 0.371 207 F C 0.383 176.175 175.800 -0.013 0.000 1.083 207 F CA -0.507 57.489 58.000 -0.007 0.000 1.174 207 F CB 0.695 39.691 39.000 -0.008 0.000 1.096 207 F HN 0.048 nan 8.300 nan 0.000 0.545 208 D N 5.425 125.656 120.400 -0.280 0.000 2.313 208 D HA 0.032 4.672 4.640 -0.000 0.000 0.239 208 D C 0.787 177.020 176.300 -0.112 0.000 1.142 208 D CA -0.201 53.713 54.000 -0.143 0.000 0.847 208 D CB 0.977 41.676 40.800 -0.169 0.000 1.082 208 D HN 0.773 nan 8.370 nan 0.000 0.480 209 E N 1.593 121.831 120.200 0.063 0.000 2.481 209 E HA -0.023 4.327 4.350 -0.000 0.000 0.195 209 E C 0.619 177.229 176.600 0.017 0.000 1.047 209 E CA -0.335 56.126 56.400 0.101 0.000 0.867 209 E CB 0.133 29.903 29.700 0.117 0.000 0.858 209 E HN 0.180 nan 8.360 nan 0.000 0.513 210 S N 1.084 116.773 115.700 -0.019 0.000 2.558 210 S HA -0.051 4.419 4.470 -0.000 0.000 0.291 210 S C 1.200 175.783 174.600 -0.027 0.000 1.306 210 S CA 0.429 58.613 58.200 -0.027 0.000 1.056 210 S CB 0.871 64.049 63.200 -0.038 0.000 0.836 210 S HN 0.425 nan 8.310 nan 0.000 0.504 211 T N 2.644 117.192 114.554 -0.009 0.000 3.148 211 T HA 0.222 4.572 4.350 -0.000 0.000 0.253 211 T C 1.820 176.545 174.700 0.040 0.000 1.134 211 T CA 0.465 62.585 62.100 0.033 0.000 1.051 211 T CB -0.365 68.546 68.868 0.071 0.000 0.959 211 T HN 0.723 nan 8.240 nan 0.000 0.525 212 A N 1.647 124.463 122.820 -0.008 0.000 1.903 212 A HA -0.056 4.264 4.320 -0.000 0.000 0.219 212 A C 2.503 180.055 177.584 -0.053 0.000 1.191 212 A CA 1.976 53.994 52.037 -0.030 0.000 0.638 212 A CB -1.253 17.723 19.000 -0.041 0.000 0.823 212 A HN 0.421 nan 8.150 nan 0.000 0.451 213 V N 0.396 120.269 119.914 -0.069 0.000 2.237 213 V HA -0.155 3.964 4.120 -0.000 0.000 0.245 213 V C -0.050 175.991 176.094 -0.088 0.000 1.046 213 V CA 2.514 64.756 62.300 -0.096 0.000 1.007 213 V CB -1.532 30.211 31.823 -0.134 0.000 0.638 213 V HN 0.394 nan 8.190 nan 0.000 0.445 214 P HA -0.180 nan 4.420 nan 0.000 0.216 214 P C 1.629 178.910 177.300 -0.032 0.000 1.150 214 P CA 1.502 64.607 63.100 0.009 0.000 0.837 214 P CB -0.007 31.753 31.700 0.099 0.000 0.786 215 K N -0.187 120.146 120.400 -0.112 0.000 2.097 215 K HA -0.078 4.242 4.320 -0.000 0.000 0.205 215 K C 1.996 178.425 176.600 -0.285 0.000 1.050 215 K CA 1.344 57.308 56.287 -0.538 0.000 0.938 215 K CB -0.589 31.706 32.500 -0.341 0.000 0.718 215 K HN -0.047 nan 8.250 nan 0.000 0.442 216 A N 0.893 123.627 122.820 -0.144 0.000 1.969 216 A HA -0.174 4.145 4.320 -0.000 0.000 0.218 216 A C 1.956 179.501 177.584 -0.066 0.000 1.169 216 A CA 1.783 53.761 52.037 -0.098 0.000 0.635 216 A CB -0.499 18.454 19.000 -0.078 0.000 0.810 216 A HN 0.464 nan 8.150 nan 0.000 0.445 217 E N -0.500 119.672 120.200 -0.046 0.000 2.047 217 E HA -0.189 4.160 4.350 -0.000 0.000 0.191 217 E C 1.834 178.517 176.600 0.139 0.000 0.987 217 E CA 1.411 57.828 56.400 0.030 0.000 0.799 217 E CB -0.456 29.241 29.700 -0.004 0.000 0.752 217 E HN 0.726 nan 8.360 nan 0.000 0.449 218 W N 1.094 122.314 121.300 -0.135 0.000 2.354 218 W HA -0.198 4.462 4.660 -0.000 0.000 0.315 218 W C 1.844 178.293 176.519 -0.117 0.000 1.206 218 W CA 2.685 59.941 57.345 -0.148 0.000 1.290 218 W CB -0.633 28.567 29.460 -0.433 0.000 1.152 218 W HN 0.283 nan 8.180 nan 0.000 0.489 219 T N -1.353 113.114 114.554 -0.146 0.000 2.951 219 T HA -0.106 4.244 4.350 -0.000 0.000 0.268 219 T C 0.884 175.484 174.700 -0.167 0.000 1.073 219 T CA 1.569 63.544 62.100 -0.208 0.000 1.134 219 T CB -0.408 68.391 68.868 -0.114 0.000 0.884 219 T HN 0.134 nan 8.240 nan 0.000 0.479 220 N N 0.180 118.816 118.700 -0.108 0.000 2.118 220 N HA 0.330 5.070 4.740 -0.000 0.000 0.226 220 N C 0.761 176.246 175.510 -0.043 0.000 1.305 220 N CA 0.053 53.057 53.050 -0.077 0.000 0.890 220 N CB 0.763 39.213 38.487 -0.061 0.000 1.118 220 N HN 0.497 nan 8.380 nan 0.000 0.511 221 G N 0.098 108.893 108.800 -0.010 0.000 2.621 221 G HA2 0.109 4.069 3.960 -0.000 0.000 0.271 221 G HA3 0.109 4.069 3.960 -0.000 0.000 0.271 221 G C 0.534 175.451 174.900 0.029 0.000 1.236 221 G CA -0.105 45.018 45.100 0.039 0.000 0.958 221 G HN -0.025 nan 8.290 nan 0.000 0.512 222 E N -0.845 119.380 120.200 0.042 0.000 2.244 222 E HA -0.006 4.344 4.350 -0.000 0.000 0.196 222 E C 2.854 179.463 176.600 0.015 0.000 0.939 222 E CA 0.126 56.534 56.400 0.014 0.000 0.884 222 E CB -0.241 29.458 29.700 -0.001 0.000 0.850 222 E HN 0.196 nan 8.360 nan 0.000 0.481 223 V N 0.679 120.597 119.914 0.006 0.000 2.324 223 V HA -0.247 3.873 4.120 -0.000 0.000 0.250 223 V C 1.473 177.541 176.094 -0.044 0.000 1.060 223 V CA 1.726 63.952 62.300 -0.123 0.000 1.042 223 V CB -0.482 31.163 31.823 -0.296 0.000 0.650 223 V HN 0.292 nan 8.190 nan 0.000 0.450 224 Y N -1.088 119.347 120.300 0.223 0.000 2.507 224 Y HA 0.188 4.738 4.550 -0.000 0.000 0.254 224 Y C 2.032 177.865 175.900 -0.111 0.000 1.171 224 Y CA -0.029 58.200 58.100 0.216 0.000 1.238 224 Y CB 0.114 38.807 38.460 0.389 0.000 1.148 224 Y HN 0.120 nan 8.280 nan 0.000 0.525 225 K N 0.285 120.693 120.400 0.012 0.000 2.020 225 K HA -0.188 4.132 4.320 -0.000 0.000 0.212 225 K C 1.951 178.470 176.600 -0.135 0.000 1.050 225 K CA 2.021 58.241 56.287 -0.113 0.000 0.929 225 K CB -0.121 32.338 32.500 -0.069 0.000 0.714 225 K HN 0.134 nan 8.250 nan 0.000 0.443 226 S N 0.179 115.841 115.700 -0.063 0.000 2.428 226 S HA -0.051 4.419 4.470 -0.000 0.000 0.230 226 S C 1.854 176.391 174.600 -0.104 0.000 1.014 226 S CA 0.858 59.017 58.200 -0.068 0.000 0.957 226 S CB -0.082 63.104 63.200 -0.024 0.000 0.784 226 S HN 0.508 nan 8.310 nan 0.000 0.499 227 A N 2.103 124.854 122.820 -0.116 0.000 1.877 227 A HA -0.132 4.187 4.320 -0.000 0.000 0.216 227 A C 2.058 179.572 177.584 -0.116 0.000 1.186 227 A CA 1.669 53.606 52.037 -0.166 0.000 0.620 227 A CB -0.571 18.399 19.000 -0.051 0.000 0.822 227 A HN 0.459 nan 8.150 nan 0.000 0.443 228 R N -0.262 119.998 120.500 -0.399 0.000 2.096 228 R HA -0.056 4.284 4.340 -0.000 0.000 0.235 228 R C 1.925 178.091 176.300 -0.223 0.000 1.127 228 R CA 1.488 57.240 56.100 -0.579 0.000 0.968 228 R CB -0.414 29.151 30.300 -1.225 0.000 0.861 228 R HN 0.520 nan 8.270 nan 0.000 0.440 229 L N 0.202 121.307 121.223 -0.196 0.000 2.083 229 L HA -0.118 4.222 4.340 -0.000 0.000 0.209 229 L C 2.693 179.525 176.870 -0.063 0.000 1.083 229 L CA 1.235 56.008 54.840 -0.111 0.000 0.752 229 L CB -0.554 41.450 42.059 -0.093 0.000 0.899 229 L HN 0.348 nan 8.230 nan 0.000 0.433 230 A N -0.351 122.408 122.820 -0.102 0.000 1.898 230 A HA -0.116 4.204 4.320 -0.000 0.000 0.216 230 A C 2.322 179.743 177.584 -0.272 0.000 1.181 230 A CA 1.466 53.424 52.037 -0.132 0.000 0.620 230 A CB -0.706 18.117 19.000 -0.296 0.000 0.819 230 A HN 0.169 nan 8.150 nan 0.000 0.442 231 V N 0.190 119.939 119.914 -0.275 0.000 2.343 231 V HA -0.263 3.856 4.120 -0.000 0.000 0.247 231 V C 2.395 178.510 176.094 0.035 0.000 1.051 231 V CA 2.278 64.491 62.300 -0.144 0.000 1.036 231 V CB -0.846 31.072 31.823 0.157 0.000 0.654 231 V HN 0.632 nan 8.190 nan 0.000 0.451 232 E N 0.180 120.414 120.200 0.056 0.000 2.110 232 E HA -0.159 4.191 4.350 -0.000 0.000 0.193 232 E C 2.297 178.882 176.600 -0.026 0.000 0.988 232 E CA 1.262 57.673 56.400 0.018 0.000 0.804 232 E CB -0.447 29.231 29.700 -0.036 0.000 0.745 232 E HN 0.658 nan 8.360 nan 0.000 0.458 233 G N 1.084 109.900 108.800 0.028 0.000 2.414 233 G HA2 -0.216 3.744 3.960 -0.000 0.000 0.215 233 G HA3 -0.216 3.744 3.960 -0.000 0.000 0.215 233 G C 1.570 176.517 174.900 0.077 0.000 1.188 233 G CA 0.313 45.503 45.100 0.151 0.000 0.783 233 G HN 0.077 nan 8.290 nan 0.000 0.537 234 L N -0.932 120.150 121.223 -0.234 0.000 2.042 234 L HA -0.107 4.232 4.340 -0.000 0.000 0.210 234 L C 2.645 179.372 176.870 -0.239 0.000 1.076 234 L CA 1.449 55.936 54.840 -0.588 0.000 0.749 234 L CB -0.321 41.281 42.059 -0.763 0.000 0.893 234 L HN 0.481 nan 8.230 nan 0.000 0.432 235 W N 0.574 121.689 121.300 -0.308 0.000 2.444 235 W HA -0.112 4.548 4.660 -0.000 0.000 0.308 235 W C 2.265 178.635 176.519 -0.249 0.000 1.183 235 W CA 1.090 58.274 57.345 -0.269 0.000 1.340 235 W CB -0.299 29.033 29.460 -0.213 0.000 1.138 235 W HN 0.067 nan 8.180 nan 0.000 0.510 236 Q N -0.007 119.648 119.800 -0.242 0.000 2.319 236 Q HA 0.063 4.403 4.340 -0.000 0.000 0.209 236 Q C 1.380 177.253 176.000 -0.212 0.000 0.884 236 Q CA 0.688 56.252 55.803 -0.397 0.000 0.938 236 Q CB 0.437 28.819 28.738 -0.593 0.000 1.098 236 Q HN 0.536 nan 8.270 nan 0.000 0.517 237 E N 0.058 120.227 120.200 -0.052 0.000 2.476 237 E HA 0.109 4.459 4.350 -0.000 0.000 0.199 237 E C -0.203 176.519 176.600 0.204 0.000 1.021 237 E CA -0.022 56.449 56.400 0.119 0.000 0.907 237 E CB 1.227 31.015 29.700 0.146 0.000 0.974 237 E HN -0.079 nan 8.360 nan 0.000 0.489 238 V N 1.592 121.539 119.914 0.055 0.000 2.370 238 V HA 0.141 4.261 4.120 -0.000 0.000 0.279 238 V C -0.196 175.875 176.094 -0.037 0.000 1.029 238 V CA -0.109 62.227 62.300 0.061 0.000 0.870 238 V CB 0.769 32.544 31.823 -0.081 0.000 0.984 238 V HN 0.144 nan 8.190 nan 0.000 0.451 239 F N 1.174 121.122 119.950 -0.004 0.000 2.678 239 F HA 0.303 4.829 4.527 -0.000 0.000 0.305 239 F C 0.912 176.735 175.800 0.038 0.000 1.090 239 F CA -0.364 57.647 58.000 0.018 0.000 1.272 239 F CB 0.556 39.568 39.000 0.020 0.000 1.060 239 F HN 0.440 nan 8.300 nan 0.000 0.576 240 D N 0.655 121.130 120.400 0.124 0.000 2.373 240 D HA -0.011 4.629 4.640 -0.000 0.000 0.227 240 D C 1.249 177.526 176.300 -0.039 0.000 1.091 240 D CA -0.575 53.452 54.000 0.045 0.000 0.840 240 D CB 0.576 41.359 40.800 -0.028 0.000 1.060 240 D HN 0.296 nan 8.370 nan 0.000 0.502 241 W N 4.460 125.746 121.300 -0.022 0.000 2.331 241 W HA -0.168 4.492 4.660 -0.000 0.000 0.291 241 W C 0.498 177.018 176.519 0.002 0.000 1.214 241 W CA 0.237 57.555 57.345 -0.045 0.000 1.228 241 W CB -0.788 28.644 29.460 -0.046 0.000 1.135 241 W HN 0.289 nan 8.180 nan 0.000 0.537 242 N N 1.165 119.539 118.700 -0.543 0.000 2.290 242 N HA -0.154 4.586 4.740 -0.000 0.000 0.179 242 N C 1.775 177.096 175.510 -0.314 0.000 1.016 242 N CA 1.489 54.377 53.050 -0.271 0.000 0.871 242 N CB -0.527 37.846 38.487 -0.191 0.000 0.987 242 N HN 0.402 nan 8.380 nan 0.000 0.431 243 E N 0.843 120.553 120.200 -0.817 0.000 2.085 243 E HA -0.162 4.188 4.350 -0.000 0.000 0.194 243 E C 1.861 178.057 176.600 -0.673 0.000 0.994 243 E CA 1.021 56.523 56.400 -1.497 0.000 0.801 243 E CB 0.032 28.847 29.700 -1.476 0.000 0.743 243 E HN 0.109 nan 8.360 nan 0.000 0.453 244 S N -0.204 115.236 115.700 -0.434 0.000 2.343 244 S HA -0.178 4.292 4.470 -0.000 0.000 0.219 244 S C 2.087 176.501 174.600 -0.310 0.000 1.033 244 S CA 1.561 59.538 58.200 -0.370 0.000 1.014 244 S CB -0.402 62.642 63.200 -0.261 0.000 0.915 244 S HN 0.438 nan 8.310 nan 0.000 0.435 245 A N 0.450 123.213 122.820 -0.096 0.000 1.902 245 A HA -0.010 4.310 4.320 -0.000 0.000 0.217 245 A C 2.059 179.661 177.584 0.029 0.000 1.181 245 A CA 1.741 53.863 52.037 0.142 0.000 0.623 245 A CB -1.111 18.240 19.000 0.584 0.000 0.818 245 A HN 0.704 nan 8.150 nan 0.000 0.443 246 F N 1.242 120.973 119.950 -0.364 0.000 2.113 246 F HA -0.130 4.397 4.527 -0.000 0.000 0.297 246 F C 2.529 178.174 175.800 -0.257 0.000 1.103 246 F CA 1.996 59.672 58.000 -0.539 0.000 1.248 246 F CB -0.319 38.317 39.000 -0.606 0.000 0.999 246 F HN 0.190 nan 8.300 nan 0.000 0.475 247 S N -0.086 115.472 115.700 -0.238 0.000 2.383 247 S HA -0.136 4.333 4.470 -0.000 0.000 0.227 247 S C 2.168 176.515 174.600 -0.422 0.000 1.026 247 S CA 1.168 59.150 58.200 -0.363 0.000 0.981 247 S CB -0.551 62.249 63.200 -0.667 0.000 0.818 247 S HN 0.254 nan 8.310 nan 0.000 0.472 248 V N 1.947 121.588 119.914 -0.455 0.000 2.237 248 V HA -0.180 3.940 4.120 -0.000 0.000 0.245 248 V C 2.230 178.113 176.094 -0.353 0.000 1.046 248 V CA 1.705 63.754 62.300 -0.419 0.000 1.007 248 V CB -0.641 30.825 31.823 -0.596 0.000 0.638 248 V HN 0.558 nan 8.190 nan 0.000 0.445 249 H N -0.393 118.571 119.070 -0.176 0.000 2.448 249 H HA 0.225 4.781 4.556 -0.000 0.000 0.292 249 H C 2.005 177.143 175.328 -0.316 0.000 1.035 249 H CA 1.366 57.297 56.048 -0.195 0.000 1.349 249 H CB 0.015 29.608 29.762 -0.282 0.000 1.425 249 H HN 0.468 nan 8.280 nan 0.000 0.539 250 A N 0.465 123.054 122.820 -0.385 0.000 2.387 250 A HA 0.344 4.664 4.320 -0.000 0.000 0.234 250 A C 1.528 178.880 177.584 -0.386 0.000 1.253 250 A CA 0.119 51.821 52.037 -0.559 0.000 0.894 250 A CB 0.369 18.942 19.000 -0.711 0.000 0.963 250 A HN 0.145 nan 8.150 nan 0.000 0.508 251 V N -2.754 116.981 119.914 -0.299 0.000 4.763 251 V HA 0.030 4.150 4.120 -0.000 0.000 0.146 251 V C 1.642 177.624 176.094 -0.186 0.000 1.198 251 V CA 0.560 62.761 62.300 -0.165 0.000 1.220 251 V CB -1.175 30.620 31.823 -0.046 0.000 1.571 251 V HN 0.436 nan 8.190 nan 0.000 0.595 252 Y N 1.627 121.816 120.300 -0.186 0.000 2.070 252 Y HA -0.288 4.262 4.550 -0.000 0.000 0.280 252 Y C 2.380 178.291 175.900 0.019 0.000 1.148 252 Y CA 2.743 60.791 58.100 -0.088 0.000 1.125 252 Y CB -0.089 38.304 38.460 -0.111 0.000 0.975 252 Y HN 0.470 nan 8.280 nan 0.000 0.492 253 D N -0.249 120.146 120.400 -0.008 0.000 2.178 253 D HA -0.126 4.514 4.640 -0.000 0.000 0.202 253 D C 2.043 178.394 176.300 0.084 0.000 0.974 253 D CA 1.163 55.197 54.000 0.057 0.000 0.841 253 D CB -0.283 40.671 40.800 0.256 0.000 0.953 253 D HN 0.447 nan 8.370 nan 0.000 0.478 254 A N -0.547 122.311 122.820 0.063 0.000 2.014 254 A HA 0.011 4.331 4.320 -0.000 0.000 0.218 254 A C 2.128 179.664 177.584 -0.080 0.000 1.163 254 A CA 0.790 52.879 52.037 0.087 0.000 0.652 254 A CB -0.244 18.650 19.000 -0.176 0.000 0.808 254 A HN 0.321 nan 8.150 nan 0.000 0.449 255 L N -3.296 117.790 121.223 -0.229 0.000 2.416 255 L HA 0.179 4.519 4.340 -0.000 0.000 0.188 255 L C 2.275 179.065 176.870 -0.135 0.000 1.145 255 L CA 0.664 55.358 54.840 -0.243 0.000 0.826 255 L CB -0.653 41.138 42.059 -0.447 0.000 1.064 255 L HN 0.376 nan 8.230 nan 0.000 0.490 256 F N 1.197 120.936 119.950 -0.352 0.000 2.084 256 F HA -0.074 4.452 4.527 -0.000 0.000 0.296 256 F C 2.182 177.870 175.800 -0.186 0.000 1.111 256 F CA 1.736 59.545 58.000 -0.318 0.000 1.224 256 F CB -0.704 37.928 39.000 -0.612 0.000 0.991 256 F HN 0.008 nan 8.300 nan 0.000 0.471 257 G N -0.242 108.448 108.800 -0.183 0.000 2.446 257 G HA2 -0.256 3.704 3.960 -0.000 0.000 0.217 257 G HA3 -0.256 3.704 3.960 -0.000 0.000 0.217 257 G C 1.517 176.308 174.900 -0.183 0.000 1.168 257 G CA 0.775 45.850 45.100 -0.040 0.000 0.771 257 G HN 0.350 nan 8.290 nan 0.000 0.551 258 Q N -0.526 119.123 119.800 -0.251 0.000 2.124 258 Q HA -0.052 4.288 4.340 -0.000 0.000 0.202 258 Q C 2.232 178.112 176.000 -0.200 0.000 0.977 258 Q CA 0.802 56.426 55.803 -0.298 0.000 0.850 258 Q CB -0.459 28.091 28.738 -0.313 0.000 0.901 258 Q HN 0.557 nan 8.270 nan 0.000 0.429 259 F N 0.862 120.639 119.950 -0.288 0.000 2.075 259 F HA -0.214 4.313 4.527 -0.000 0.000 0.297 259 F C 2.205 177.834 175.800 -0.285 0.000 1.113 259 F CA 1.103 58.960 58.000 -0.237 0.000 1.218 259 F CB -0.314 38.537 39.000 -0.249 0.000 0.984 259 F HN -0.191 nan 8.300 nan 0.000 0.472 260 V N 1.073 120.680 119.914 -0.512 0.000 2.233 260 V HA -0.324 3.796 4.120 -0.000 0.000 0.247 260 V C 2.533 178.507 176.094 -0.199 0.000 1.050 260 V CA 2.422 64.354 62.300 -0.614 0.000 1.010 260 V CB -0.766 30.437 31.823 -1.033 0.000 0.637 260 V HN 0.276 nan 8.190 nan 0.000 0.444 261 R N -0.550 119.812 120.500 -0.231 0.000 2.070 261 R HA -0.136 4.204 4.340 -0.000 0.000 0.233 261 R C 2.584 178.844 176.300 -0.065 0.000 1.137 261 R CA 1.845 57.916 56.100 -0.048 0.000 0.945 261 R CB -0.343 29.960 30.300 0.005 0.000 0.845 261 R HN 0.387 nan 8.270 nan 0.000 0.430 262 R N 0.333 120.746 120.500 -0.144 0.000 2.090 262 R HA -0.033 4.306 4.340 -0.000 0.000 0.219 262 R C 1.550 177.737 176.300 -0.189 0.000 1.100 262 R CA 0.848 56.862 56.100 -0.143 0.000 0.991 262 R CB 0.341 30.560 30.300 -0.135 0.000 0.893 262 R HN 0.086 nan 8.270 nan 0.000 0.443 263 E N -0.675 119.328 120.200 -0.329 0.000 2.442 263 E HA -0.067 4.283 4.350 -0.000 0.000 0.195 263 E C 0.925 177.281 176.600 -0.406 0.000 1.030 263 E CA 0.499 56.639 56.400 -0.434 0.000 0.869 263 E CB 0.200 29.474 29.700 -0.711 0.000 0.857 263 E HN 0.266 nan 8.360 nan 0.000 0.505 264 F N -0.713 118.952 119.950 -0.475 0.000 2.484 264 F HA 0.126 4.652 4.527 -0.000 0.000 0.268 264 F C 1.745 177.390 175.800 -0.258 0.000 0.965 264 F CA 0.190 57.987 58.000 -0.338 0.000 1.119 264 F CB -0.392 38.390 39.000 -0.363 0.000 1.153 264 F HN -0.191 nan 8.300 nan 0.000 0.689 265 F N 1.035 121.117 119.950 0.220 0.000 2.102 265 F HA -0.175 4.352 4.527 -0.000 0.000 0.298 265 F C 2.595 178.348 175.800 -0.079 0.000 1.105 265 F CA 1.747 59.818 58.000 0.117 0.000 1.239 265 F CB -0.791 38.153 39.000 -0.092 0.000 0.991 265 F HN 0.119 nan 8.300 nan 0.000 0.474 266 Q N 0.654 120.466 119.800 0.020 0.000 2.167 266 Q HA -0.168 4.172 4.340 -0.000 0.000 0.202 266 Q C 2.208 178.151 176.000 -0.095 0.000 0.970 266 Q CA 1.452 57.221 55.803 -0.056 0.000 0.855 266 Q CB -0.193 28.499 28.738 -0.077 0.000 0.911 266 Q HN 0.279 nan 8.270 nan 0.000 0.438 267 R N -0.920 119.497 120.500 -0.138 0.000 2.093 267 R HA 0.040 4.380 4.340 -0.000 0.000 0.224 267 R C 1.582 177.745 176.300 -0.228 0.000 1.101 267 R CA 1.076 57.072 56.100 -0.173 0.000 0.979 267 R CB 0.088 30.278 30.300 -0.184 0.000 0.877 267 R HN 0.345 nan 8.270 nan 0.000 0.441 268 L N -0.675 120.359 121.223 -0.315 0.000 2.515 268 L HA 0.268 4.608 4.340 -0.000 0.000 0.223 268 L C 2.406 178.939 176.870 -0.562 0.000 1.079 268 L CA 0.381 54.966 54.840 -0.424 0.000 0.857 268 L CB -0.128 41.585 42.059 -0.577 0.000 1.050 268 L HN 0.167 nan 8.230 nan 0.000 0.476 269 A N 1.516 124.076 122.820 -0.434 0.000 1.892 269 A HA -0.143 4.176 4.320 -0.000 0.000 0.218 269 A C -0.105 177.291 177.584 -0.313 0.000 1.188 269 A CA 1.850 53.641 52.037 -0.409 0.000 0.631 269 A CB -1.761 17.312 19.000 0.121 0.000 0.822 269 A HN 0.230 nan 8.150 nan 0.000 0.447 270 P HA -0.173 nan 4.420 nan 0.000 0.216 270 P C 1.339 178.511 177.300 -0.214 0.000 1.150 270 P CA 1.416 64.429 63.100 -0.144 0.000 0.843 270 P CB -0.163 31.465 31.700 -0.120 0.000 0.787 271 R N -1.949 118.357 120.500 -0.324 0.000 2.193 271 R HA -0.057 4.283 4.340 -0.000 0.000 0.229 271 R C 0.834 176.733 176.300 -0.668 0.000 1.110 271 R CA 0.973 56.782 56.100 -0.485 0.000 0.988 271 R CB -0.533 29.402 30.300 -0.608 0.000 0.871 271 R HN 0.281 nan 8.270 nan 0.000 0.458 272 F N -0.536 119.130 119.950 -0.474 0.000 2.708 272 F HA 0.310 4.837 4.527 -0.000 0.000 0.300 272 F C 1.104 176.798 175.800 -0.176 0.000 1.118 272 F CA -0.062 57.718 58.000 -0.366 0.000 1.307 272 F CB 0.982 39.618 39.000 -0.605 0.000 0.986 272 F HN 0.048 nan 8.300 nan 0.000 0.522 273 G N 1.395 110.179 108.800 -0.028 0.000 2.246 273 G HA2 -0.292 3.668 3.960 -0.000 0.000 0.273 273 G HA3 -0.292 3.668 3.960 -0.000 0.000 0.273 273 G C -0.518 174.461 174.900 0.131 0.000 1.055 273 G CA 0.258 45.386 45.100 0.047 0.000 0.851 273 G HN 0.380 nan 8.290 nan 0.000 0.500 274 D N -0.320 120.146 120.400 0.110 0.000 2.461 274 D HA 0.388 5.028 4.640 -0.000 0.000 0.240 274 D C 0.947 177.359 176.300 0.187 0.000 1.094 274 D CA -0.884 53.247 54.000 0.219 0.000 0.868 274 D CB 0.165 41.157 40.800 0.320 0.000 1.062 274 D HN 0.004 nan 8.370 nan 0.000 0.530 275 N N 3.029 121.880 118.700 0.251 0.000 2.254 275 N HA -0.001 4.738 4.740 -0.000 0.000 0.190 275 N C 1.388 177.053 175.510 0.259 0.000 1.107 275 N CA -0.072 53.120 53.050 0.237 0.000 0.869 275 N CB 0.626 39.289 38.487 0.293 0.000 0.983 275 N HN 0.389 nan 8.380 nan 0.000 0.487 276 L N 1.078 122.439 121.223 0.230 0.000 2.007 276 L HA -0.003 4.336 4.340 -0.000 0.000 0.205 276 L C 1.981 179.029 176.870 0.296 0.000 1.073 276 L CA 1.791 56.717 54.840 0.143 0.000 0.744 276 L CB -1.026 41.031 42.059 -0.002 0.000 0.898 276 L HN -0.025 nan 8.230 nan 0.000 0.435 277 T N 0.429 115.133 114.554 0.249 0.000 2.746 277 T HA -0.081 4.269 4.350 -0.000 0.000 0.267 277 T C -0.615 174.138 174.700 0.090 0.000 1.039 277 T CA 1.762 63.960 62.100 0.163 0.000 1.142 277 T CB -1.133 67.708 68.868 -0.046 0.000 0.866 277 T HN 0.294 nan 8.240 nan 0.000 0.444 278 P HA -0.023 nan 4.420 nan 0.000 0.220 278 P C 1.155 178.404 177.300 -0.086 0.000 1.148 278 P CA 0.574 63.660 63.100 -0.023 0.000 0.803 278 P CB -0.160 31.537 31.700 -0.005 0.000 0.782 279 F N -0.673 119.127 119.950 -0.251 0.000 2.134 279 F HA -0.163 4.364 4.527 -0.000 0.000 0.299 279 F C 1.763 177.223 175.800 -0.566 0.000 1.097 279 F CA 1.619 59.268 58.000 -0.584 0.000 1.264 279 F CB -0.672 37.666 39.000 -1.104 0.000 1.001 279 F HN -0.195 nan 8.300 nan 0.000 0.479 280 F N 0.042 119.949 119.950 -0.072 0.000 2.234 280 F HA -0.020 4.507 4.527 -0.000 0.000 0.296 280 F C 2.255 177.987 175.800 -0.112 0.000 1.089 280 F CA 0.883 58.837 58.000 -0.076 0.000 1.343 280 F CB -0.600 38.492 39.000 0.153 0.000 1.040 280 F HN -0.110 nan 8.300 nan 0.000 0.498 281 I N 0.129 120.736 120.570 0.061 0.000 2.493 281 I HA -0.277 3.893 4.170 -0.000 0.000 0.254 281 I C 1.883 177.938 176.117 -0.103 0.000 1.160 281 I CA 0.793 62.097 61.300 0.007 0.000 1.445 281 I CB -0.459 37.487 38.000 -0.089 0.000 1.086 281 I HN 0.160 nan 8.210 nan 0.000 0.433 282 N N 0.830 119.398 118.700 -0.220 0.000 2.120 282 N HA -0.195 4.544 4.740 -0.000 0.000 0.188 282 N C 1.841 177.160 175.510 -0.317 0.000 1.024 282 N CA 1.300 54.191 53.050 -0.265 0.000 0.852 282 N CB -0.228 38.037 38.487 -0.369 0.000 1.003 282 N HN 0.486 nan 8.380 nan 0.000 0.424 283 Q N 0.248 119.780 119.800 -0.446 0.000 2.046 283 Q HA 0.038 4.378 4.340 -0.000 0.000 0.200 283 Q C 2.109 177.617 176.000 -0.820 0.000 0.975 283 Q CA 1.431 56.828 55.803 -0.677 0.000 0.836 283 Q CB -0.144 28.202 28.738 -0.653 0.000 0.896 283 Q HN 0.374 nan 8.270 nan 0.000 0.428 284 A N 0.846 123.443 122.820 -0.371 0.000 1.933 284 A HA -0.220 4.100 4.320 -0.000 0.000 0.218 284 A C 2.048 179.667 177.584 0.058 0.000 1.175 284 A CA 1.259 53.244 52.037 -0.088 0.000 0.628 284 A CB -0.299 18.789 19.000 0.148 0.000 0.814 284 A HN 0.231 nan 8.150 nan 0.000 0.444 285 Q N -0.684 119.122 119.800 0.010 0.000 2.123 285 Q HA -0.078 4.262 4.340 -0.000 0.000 0.199 285 Q C 2.179 178.271 176.000 0.152 0.000 0.966 285 Q CA 1.848 57.709 55.803 0.098 0.000 0.845 285 Q CB -1.074 27.674 28.738 0.017 0.000 0.907 285 Q HN 0.647 nan 8.270 nan 0.000 0.439 286 T N 0.797 115.370 114.554 0.030 0.000 2.746 286 T HA -0.119 4.231 4.350 -0.000 0.000 0.267 286 T C 1.760 176.621 174.700 0.268 0.000 1.039 286 T CA 1.106 63.260 62.100 0.091 0.000 1.142 286 T CB -0.387 68.480 68.868 -0.003 0.000 0.866 286 T HN 0.391 nan 8.240 nan 0.000 0.444 287 Y N -0.267 120.109 120.300 0.127 0.000 2.181 287 Y HA -0.128 4.422 4.550 -0.000 0.000 0.288 287 Y C 2.304 178.301 175.900 0.161 0.000 1.146 287 Y CA 0.591 58.778 58.100 0.144 0.000 1.164 287 Y CB -0.362 38.188 38.460 0.149 0.000 0.982 287 Y HN 0.164 nan 8.280 nan 0.000 0.515 288 F N 1.477 121.578 119.950 0.251 0.000 2.134 288 F HA -0.262 4.265 4.527 -0.000 0.000 0.299 288 F C 2.329 178.215 175.800 0.143 0.000 1.097 288 F CA 1.439 59.550 58.000 0.183 0.000 1.264 288 F CB -0.232 38.869 39.000 0.169 0.000 1.001 288 F HN -0.023 nan 8.300 nan 0.000 0.479 289 Q N 0.371 120.334 119.800 0.271 0.000 2.167 289 Q HA -0.099 4.241 4.340 -0.000 0.000 0.202 289 Q C 2.499 178.532 176.000 0.056 0.000 0.970 289 Q CA 1.472 57.372 55.803 0.161 0.000 0.855 289 Q CB -0.378 28.482 28.738 0.203 0.000 0.911 289 Q HN 0.539 nan 8.270 nan 0.000 0.438 290 I N 0.329 120.956 120.570 0.095 0.000 2.233 290 I HA -0.222 3.948 4.170 -0.000 0.000 0.243 290 I C 2.233 178.378 176.117 0.047 0.000 1.093 290 I CA 0.957 62.317 61.300 0.100 0.000 1.380 290 I CB -0.317 37.781 38.000 0.163 0.000 1.067 290 I HN 0.056 nan 8.210 nan 0.000 0.413 291 A N 0.605 123.386 122.820 -0.065 0.000 1.933 291 A HA -0.263 4.057 4.320 -0.000 0.000 0.218 291 A C 2.357 179.641 177.584 -0.499 0.000 1.175 291 A CA 1.809 53.627 52.037 -0.366 0.000 0.628 291 A CB -0.541 18.084 19.000 -0.626 0.000 0.814 291 A HN 0.341 nan 8.150 nan 0.000 0.444 292 K N -0.346 119.805 120.400 -0.415 0.000 2.074 292 K HA -0.255 4.065 4.320 -0.000 0.000 0.209 292 K C 2.201 178.729 176.600 -0.120 0.000 1.048 292 K CA 1.886 57.996 56.287 -0.294 0.000 0.926 292 K CB -0.229 32.140 32.500 -0.219 0.000 0.713 292 K HN 0.662 nan 8.250 nan 0.000 0.444 293 Q N -0.775 119.005 119.800 -0.033 0.000 2.084 293 Q HA -0.127 4.213 4.340 -0.000 0.000 0.202 293 Q C 2.174 178.256 176.000 0.136 0.000 0.978 293 Q CA 1.533 57.374 55.803 0.063 0.000 0.844 293 Q CB -0.203 28.591 28.738 0.094 0.000 0.898 293 Q HN 0.541 nan 8.270 nan 0.000 0.426 294 G N 0.061 108.981 108.800 0.200 0.000 2.402 294 G HA2 -0.177 3.782 3.960 -0.000 0.000 0.216 294 G HA3 -0.177 3.782 3.960 -0.000 0.000 0.216 294 G C 1.509 176.620 174.900 0.351 0.000 1.162 294 G CA 0.646 46.032 45.100 0.477 0.000 0.777 294 G HN 0.192 nan 8.290 nan 0.000 0.539 295 V N 0.533 120.396 119.914 -0.085 0.000 2.343 295 V HA -0.241 3.878 4.120 -0.000 0.000 0.247 295 V C 2.884 178.964 176.094 -0.023 0.000 1.051 295 V CA 2.169 64.370 62.300 -0.166 0.000 1.036 295 V CB -0.532 31.064 31.823 -0.379 0.000 0.654 295 V HN 0.420 nan 8.190 nan 0.000 0.451 296 Q N -0.512 119.271 119.800 -0.028 0.000 2.119 296 Q HA -0.241 4.099 4.340 -0.000 0.000 0.201 296 Q C 2.075 178.109 176.000 0.057 0.000 0.972 296 Q CA 1.895 57.688 55.803 -0.016 0.000 0.847 296 Q CB -0.201 28.629 28.738 0.153 0.000 0.903 296 Q HN 0.749 nan 8.270 nan 0.000 0.433 297 D N 0.191 120.671 120.400 0.134 0.000 2.097 297 D HA -0.185 4.455 4.640 -0.000 0.000 0.195 297 D C 1.754 178.130 176.300 0.125 0.000 0.989 297 D CA 0.727 54.842 54.000 0.190 0.000 0.827 297 D CB 0.058 41.044 40.800 0.311 0.000 0.966 297 D HN 0.088 nan 8.370 nan 0.000 0.456 298 L N -0.522 120.692 121.223 -0.014 0.000 2.005 298 L HA -0.106 4.234 4.340 -0.000 0.000 0.207 298 L C 1.785 178.422 176.870 -0.388 0.000 1.072 298 L CA 1.723 56.373 54.840 -0.315 0.000 0.744 298 L CB -0.968 40.672 42.059 -0.697 0.000 0.895 298 L HN 0.219 nan 8.230 nan 0.000 0.433 299 Y N -2.350 117.903 120.300 -0.078 0.000 2.395 299 Y HA -0.113 4.437 4.550 -0.000 0.000 0.293 299 Y C 1.792 177.678 175.900 -0.025 0.000 1.123 299 Y CA 1.472 59.507 58.100 -0.109 0.000 1.227 299 Y CB -0.173 38.215 38.460 -0.120 0.000 1.012 299 Y HN 0.230 nan 8.280 nan 0.000 0.552 300 Y N -1.983 118.457 120.300 0.234 0.000 2.447 300 Y HA -0.018 4.532 4.550 -0.000 0.000 0.286 300 Y C 2.324 178.282 175.900 0.095 0.000 1.153 300 Y CA 0.133 58.329 58.100 0.158 0.000 1.241 300 Y CB -0.396 38.151 38.460 0.144 0.000 1.284 300 Y HN -0.042 nan 8.280 nan 0.000 0.520 301 N N 0.119 118.957 118.700 0.230 0.000 2.120 301 N HA -0.171 4.569 4.740 -0.000 0.000 0.188 301 N C 1.417 176.979 175.510 0.088 0.000 1.024 301 N CA 1.627 54.761 53.050 0.139 0.000 0.852 301 N CB -0.069 38.491 38.487 0.121 0.000 1.003 301 N HN 0.288 nan 8.380 nan 0.000 0.424 302 C N -0.162 119.179 119.300 0.067 0.000 2.541 302 C HA 0.209 4.668 4.460 -0.000 0.000 0.284 302 C C 2.616 177.604 174.990 -0.003 0.000 1.341 302 C CA -0.121 58.910 59.018 0.022 0.000 1.732 302 C CB -0.894 26.855 27.740 0.015 0.000 2.126 302 C HN 0.421 nan 8.230 nan 0.000 0.505 303 L N 0.723 121.946 121.223 0.001 0.000 2.189 303 L HA 0.189 4.529 4.340 -0.000 0.000 0.199 303 L C 2.803 179.719 176.870 0.077 0.000 1.074 303 L CA 1.502 56.344 54.840 0.004 0.000 0.783 303 L CB -1.307 40.749 42.059 -0.004 0.000 0.955 303 L HN 0.423 nan 8.230 nan 0.000 0.460 304 G N -0.419 108.469 108.800 0.146 0.000 2.448 304 G HA2 -0.197 3.763 3.960 -0.000 0.000 0.219 304 G HA3 -0.197 3.763 3.960 -0.000 0.000 0.219 304 G C 0.674 175.645 174.900 0.119 0.000 1.127 304 G CA 0.789 45.989 45.100 0.166 0.000 0.766 304 G HN 0.287 nan 8.290 nan 0.000 0.552 305 D N 0.104 120.569 120.400 0.109 0.000 2.462 305 D HA 0.102 4.742 4.640 -0.000 0.000 0.221 305 D C 0.020 176.351 176.300 0.051 0.000 1.173 305 D CA -0.383 53.661 54.000 0.073 0.000 0.831 305 D CB 0.225 41.070 40.800 0.075 0.000 1.001 305 D HN 0.229 nan 8.370 nan 0.000 0.499 306 D N 2.123 122.558 120.400 0.059 0.000 2.487 306 D HA -0.037 4.603 4.640 -0.000 0.000 0.243 306 D C -1.142 175.170 176.300 0.020 0.000 1.154 306 D CA -1.122 52.908 54.000 0.051 0.000 0.876 306 D CB 1.894 42.758 40.800 0.105 0.000 1.161 306 D HN -0.008 nan 8.370 nan 0.000 0.478 307 P HA -0.157 nan 4.420 nan 0.000 0.220 307 P C 0.817 178.051 177.300 -0.110 0.000 1.144 307 P CA 1.214 64.288 63.100 -0.042 0.000 0.800 307 P CB 0.419 32.099 31.700 -0.034 0.000 0.772 308 E N -1.747 118.343 120.200 -0.183 0.000 2.364 308 E HA 0.101 4.451 4.350 -0.000 0.000 0.203 308 E C 0.778 176.974 176.600 -0.673 0.000 0.888 308 E CA 0.035 56.150 56.400 -0.475 0.000 0.989 308 E CB 0.251 29.541 29.700 -0.682 0.000 0.985 308 E HN 0.120 nan 8.360 nan 0.000 0.499 309 F N 0.104 120.052 119.950 -0.003 0.000 2.698 309 F HA 0.282 4.809 4.527 -0.000 0.000 0.304 309 F C 1.818 177.660 175.800 0.070 0.000 1.108 309 F CA -0.247 57.782 58.000 0.048 0.000 1.263 309 F CB 0.724 39.754 39.000 0.050 0.000 1.013 309 F HN -0.040 nan 8.300 nan 0.000 0.532 310 S N 0.929 116.704 115.700 0.125 0.000 2.359 310 S HA -0.304 4.165 4.470 -0.000 0.000 0.223 310 S C 2.047 176.698 174.600 0.085 0.000 1.039 310 S CA 2.575 60.829 58.200 0.091 0.000 1.042 310 S CB -0.318 62.909 63.200 0.045 0.000 0.915 310 S HN 0.525 nan 8.310 nan 0.000 0.439 311 D N -1.058 119.390 120.400 0.079 0.000 2.097 311 D HA -0.172 4.467 4.640 -0.000 0.000 0.195 311 D C 1.881 178.235 176.300 0.090 0.000 0.989 311 D CA 1.610 55.651 54.000 0.067 0.000 0.827 311 D CB -0.458 40.377 40.800 0.058 0.000 0.966 311 D HN 0.607 nan 8.370 nan 0.000 0.456 312 Y N 1.141 121.468 120.300 0.045 0.000 2.097 312 Y HA -0.214 4.335 4.550 -0.000 0.000 0.282 312 Y C 1.947 177.830 175.900 -0.028 0.000 1.152 312 Y CA 1.967 60.092 58.100 0.042 0.000 1.136 312 Y CB -0.604 37.945 38.460 0.148 0.000 0.975 312 Y HN -0.012 nan 8.280 nan 0.000 0.498 313 N N 0.444 119.091 118.700 -0.089 0.000 2.166 313 N HA -0.151 4.589 4.740 -0.000 0.000 0.186 313 N C 1.905 177.233 175.510 -0.303 0.000 1.019 313 N CA 1.589 54.478 53.050 -0.269 0.000 0.856 313 N CB -0.385 38.079 38.487 -0.038 0.000 0.993 313 N HN 0.465 nan 8.380 nan 0.000 0.426 314 R N 0.007 120.421 120.500 -0.143 0.000 2.092 314 R HA 0.006 4.346 4.340 -0.000 0.000 0.231 314 R C 1.992 178.196 176.300 -0.161 0.000 1.119 314 R CA 1.283 57.323 56.100 -0.101 0.000 0.970 314 R CB -0.430 29.863 30.300 -0.013 0.000 0.864 314 R HN 0.199 nan 8.270 nan 0.000 0.440 315 T N 0.788 115.224 114.554 -0.198 0.000 2.708 315 T HA -0.103 4.246 4.350 -0.000 0.000 0.266 315 T C 2.001 176.501 174.700 -0.334 0.000 1.037 315 T CA 1.388 63.370 62.100 -0.195 0.000 1.146 315 T CB -0.140 68.628 68.868 -0.168 0.000 0.865 315 T HN -0.004 nan 8.240 nan 0.000 0.435 316 V N 1.498 121.056 119.914 -0.594 0.000 2.295 316 V HA -0.165 3.955 4.120 -0.000 0.000 0.246 316 V C 2.482 177.946 176.094 -1.050 0.000 1.049 316 V CA 1.669 63.443 62.300 -0.878 0.000 1.024 316 V CB -0.593 30.535 31.823 -1.157 0.000 0.648 316 V HN 0.487 nan 8.190 nan 0.000 0.447 317 M N -0.959 118.116 119.600 -0.874 0.000 2.229 317 M HA -0.152 4.328 4.480 -0.000 0.000 0.264 317 M C 2.433 178.619 176.300 -0.190 0.000 1.063 317 M CA 1.618 56.447 55.300 -0.786 0.000 1.114 317 M CB -0.413 31.727 32.600 -0.765 0.000 1.387 317 M HN 0.187 nan 8.290 nan 0.000 0.420 318 R N 0.189 120.653 120.500 -0.061 0.000 2.092 318 R HA -0.120 4.220 4.340 -0.000 0.000 0.231 318 R C 2.161 178.597 176.300 0.227 0.000 1.119 318 R CA 1.180 57.414 56.100 0.223 0.000 0.970 318 R CB -0.373 30.060 30.300 0.221 0.000 0.864 318 R HN 0.405 nan 8.270 nan 0.000 0.440 319 N N 0.366 119.091 118.700 0.042 0.000 2.058 319 N HA -0.197 4.543 4.740 -0.000 0.000 0.191 319 N C 1.436 177.106 175.510 0.266 0.000 1.037 319 N CA 1.362 54.466 53.050 0.090 0.000 0.848 319 N CB -0.113 38.339 38.487 -0.058 0.000 1.021 319 N HN 0.223 nan 8.380 nan 0.000 0.422 320 W N 1.370 122.737 121.300 0.112 0.000 2.363 320 W HA -0.002 4.658 4.660 -0.000 0.000 0.296 320 W C 2.442 179.173 176.519 0.353 0.000 1.212 320 W CA 0.981 58.478 57.345 0.253 0.000 1.260 320 W CB -1.472 28.143 29.460 0.257 0.000 1.131 320 W HN 0.098 nan 8.180 nan 0.000 0.530 321 T N -0.267 114.595 114.554 0.512 0.000 2.746 321 T HA -0.098 4.252 4.350 -0.000 0.000 0.267 321 T C 2.078 176.835 174.700 0.094 0.000 1.039 321 T CA 1.936 64.175 62.100 0.233 0.000 1.142 321 T CB -0.789 67.947 68.868 -0.221 0.000 0.866 321 T HN 0.260 nan 8.240 nan 0.000 0.444 322 G N 1.309 110.231 108.800 0.203 0.000 2.402 322 G HA2 -0.198 3.762 3.960 -0.000 0.000 0.216 322 G HA3 -0.198 3.762 3.960 -0.000 0.000 0.216 322 G C 1.482 176.464 174.900 0.138 0.000 1.162 322 G CA 0.946 46.215 45.100 0.282 0.000 0.777 322 G HN 0.466 nan 8.290 nan 0.000 0.539 323 K N -0.610 119.845 120.400 0.092 0.000 2.032 323 K HA -0.128 4.192 4.320 -0.000 0.000 0.209 323 K C 2.038 178.420 176.600 -0.363 0.000 1.048 323 K CA 1.352 57.543 56.287 -0.160 0.000 0.927 323 K CB -0.278 32.098 32.500 -0.207 0.000 0.712 323 K HN 0.500 nan 8.250 nan 0.000 0.441 324 W N 0.368 121.718 121.300 0.083 0.000 3.077 324 W HA 0.095 4.754 4.660 -0.000 0.000 0.266 324 W C 1.570 178.095 176.519 0.010 0.000 1.300 324 W CA -0.596 56.767 57.345 0.030 0.000 1.586 324 W CB 0.127 29.597 29.460 0.018 0.000 1.103 324 W HN 0.144 nan 8.180 nan 0.000 0.652 325 L N 0.930 122.246 121.223 0.156 0.000 2.093 325 L HA -0.096 4.244 4.340 -0.000 0.000 0.208 325 L C 2.252 179.153 176.870 0.051 0.000 1.085 325 L CA 2.072 56.946 54.840 0.056 0.000 0.755 325 L CB -0.831 41.266 42.059 0.063 0.000 0.904 325 L HN 0.072 nan 8.230 nan 0.000 0.435 326 E N -0.354 119.874 120.200 0.047 0.000 2.031 326 E HA -0.194 4.156 4.350 -0.000 0.000 0.193 326 E C -0.527 176.087 176.600 0.024 0.000 0.994 326 E CA 1.586 57.999 56.400 0.022 0.000 0.800 326 E CB -0.789 28.905 29.700 -0.010 0.000 0.752 326 E HN 0.373 nan 8.360 nan 0.000 0.447 327 P HA -0.076 nan 4.420 nan 0.000 0.218 327 P C 1.039 178.411 177.300 0.120 0.000 1.149 327 P CA 1.465 64.603 63.100 0.063 0.000 0.817 327 P CB 0.017 31.780 31.700 0.105 0.000 0.785 328 T N -0.693 113.964 114.554 0.171 0.000 2.777 328 T HA -0.048 4.302 4.350 -0.000 0.000 0.266 328 T C 1.755 176.501 174.700 0.078 0.000 1.040 328 T CA 0.925 63.141 62.100 0.194 0.000 1.141 328 T CB -0.751 68.199 68.868 0.135 0.000 0.868 328 T HN 0.075 nan 8.240 nan 0.000 0.444 329 I N 1.270 121.857 120.570 0.029 0.000 2.315 329 I HA -0.158 4.012 4.170 -0.000 0.000 0.248 329 I C 2.875 179.008 176.117 0.027 0.000 1.117 329 I CA 0.942 62.245 61.300 0.005 0.000 1.404 329 I CB -0.402 37.596 38.000 -0.004 0.000 1.071 329 I HN 0.193 nan 8.210 nan 0.000 0.419 330 A N 0.747 123.585 122.820 0.031 0.000 1.902 330 A HA -0.186 4.134 4.320 -0.000 0.000 0.217 330 A C 2.541 180.149 177.584 0.041 0.000 1.181 330 A CA 1.864 53.916 52.037 0.026 0.000 0.623 330 A CB -0.785 18.221 19.000 0.010 0.000 0.818 330 A HN 0.434 nan 8.150 nan 0.000 0.443 331 A N -0.316 122.525 122.820 0.034 0.000 1.877 331 A HA -0.051 4.269 4.320 -0.000 0.000 0.216 331 A C 2.184 179.895 177.584 0.211 0.000 1.186 331 A CA 1.537 53.561 52.037 -0.022 0.000 0.620 331 A CB -0.610 18.211 19.000 -0.298 0.000 0.822 331 A HN 0.468 nan 8.150 nan 0.000 0.443 332 L N -1.024 120.355 121.223 0.260 0.000 2.093 332 L HA -0.163 4.177 4.340 -0.000 0.000 0.208 332 L C 2.811 179.780 176.870 0.165 0.000 1.085 332 L CA 1.585 56.581 54.840 0.259 0.000 0.755 332 L CB -0.445 41.624 42.059 0.017 0.000 0.904 332 L HN 0.478 nan 8.230 nan 0.000 0.435 333 R N 0.342 120.898 120.500 0.093 0.000 2.083 333 R HA -0.201 4.139 4.340 -0.000 0.000 0.237 333 R C 1.744 178.095 176.300 0.085 0.000 1.137 333 R CA 2.167 58.304 56.100 0.062 0.000 0.951 333 R CB -0.233 30.086 30.300 0.032 0.000 0.851 333 R HN 0.302 nan 8.270 nan 0.000 0.434 334 D N -0.138 120.322 120.400 0.100 0.000 2.144 334 D HA -0.155 4.485 4.640 -0.000 0.000 0.200 334 D C 1.511 177.858 176.300 0.079 0.000 0.978 334 D CA 0.904 54.948 54.000 0.074 0.000 0.833 334 D CB -0.342 40.498 40.800 0.067 0.000 0.961 334 D HN 0.211 nan 8.370 nan 0.000 0.470 335 F N 0.932 120.904 119.950 0.035 0.000 2.269 335 F HA -0.146 4.380 4.527 -0.000 0.000 0.301 335 F C 2.052 177.797 175.800 -0.091 0.000 1.082 335 F CA 0.825 58.796 58.000 -0.049 0.000 1.360 335 F CB -0.054 39.023 39.000 0.127 0.000 1.041 335 F HN -0.161 nan 8.300 nan 0.000 0.512 336 M N 0.039 119.704 119.600 0.109 0.000 2.267 336 M HA -0.137 4.343 4.480 -0.000 0.000 0.263 336 M C 2.498 178.834 176.300 0.061 0.000 1.063 336 M CA 1.314 56.738 55.300 0.207 0.000 1.090 336 M CB -2.226 30.484 32.600 0.183 0.000 1.392 336 M HN 0.281 nan 8.290 nan 0.000 0.422 337 G N -0.017 108.728 108.800 -0.091 0.000 2.470 337 G HA2 -0.176 3.783 3.960 -0.000 0.000 0.220 337 G HA3 -0.176 3.783 3.960 -0.000 0.000 0.220 337 G C 1.510 176.268 174.900 -0.238 0.000 1.121 337 G CA 0.390 45.422 45.100 -0.113 0.000 0.766 337 G HN 0.407 nan 8.290 nan 0.000 0.553 338 L N -0.263 120.623 121.223 -0.562 0.000 2.201 338 L HA 0.206 4.546 4.340 -0.000 0.000 0.212 338 L C 2.316 178.949 176.870 -0.395 0.000 1.105 338 L CA 1.139 55.526 54.840 -0.755 0.000 0.775 338 L CB -0.527 40.629 42.059 -1.505 0.000 0.913 338 L HN 0.258 nan 8.230 nan 0.000 0.440 339 F N -0.516 119.383 119.950 -0.086 0.000 2.269 339 F HA -0.134 4.393 4.527 -0.000 0.000 0.301 339 F C 2.404 178.242 175.800 0.063 0.000 1.082 339 F CA 0.902 58.948 58.000 0.078 0.000 1.360 339 F CB -0.655 38.403 39.000 0.097 0.000 1.041 339 F HN 0.176 nan 8.300 nan 0.000 0.512 340 A N -0.500 122.424 122.820 0.174 0.000 2.168 340 A HA -0.080 4.240 4.320 -0.000 0.000 0.215 340 A C 2.025 179.682 177.584 0.121 0.000 1.152 340 A CA 0.946 53.058 52.037 0.126 0.000 0.716 340 A CB -0.302 18.743 19.000 0.075 0.000 0.794 340 A HN 0.070 nan 8.150 nan 0.000 0.465 341 K N -0.363 120.114 120.400 0.128 0.000 2.361 341 K HA 0.240 4.560 4.320 -0.000 0.000 0.196 341 K C 0.440 177.289 176.600 0.414 0.000 1.039 341 K CA 0.064 56.469 56.287 0.196 0.000 1.001 341 K CB -0.350 32.186 32.500 0.060 0.000 0.795 341 K HN 0.461 nan 8.250 nan 0.000 0.495 342 L N 2.488 123.916 121.223 0.342 0.000 2.452 342 L HA 0.109 4.449 4.340 -0.000 0.000 0.267 342 L C -1.955 175.042 176.870 0.211 0.000 1.188 342 L CA -1.819 53.150 54.840 0.215 0.000 0.821 342 L CB -0.227 41.892 42.059 0.100 0.000 1.102 342 L HN -0.134 nan 8.230 nan 0.000 0.470 343 P HA 0.061 nan 4.420 nan 0.000 0.269 343 P C -0.707 176.675 177.300 0.137 0.000 1.209 343 P CA -0.280 62.935 63.100 0.192 0.000 0.776 343 P CB 0.584 32.426 31.700 0.236 0.000 0.876 344 A N 2.660 125.542 122.820 0.103 0.000 2.561 344 A HA 0.387 4.707 4.320 -0.000 0.000 0.234 344 A C 1.586 179.196 177.584 0.044 0.000 1.055 344 A CA 0.825 52.904 52.037 0.070 0.000 0.756 344 A CB -1.281 17.752 19.000 0.056 0.000 0.986 344 A HN 0.904 nan 8.150 nan 0.000 0.505 345 G N 1.370 110.185 108.800 0.026 0.000 2.199 345 G HA2 -0.298 3.662 3.960 -0.000 0.000 0.254 345 G HA3 -0.298 3.662 3.960 -0.000 0.000 0.254 345 G C 1.037 175.919 174.900 -0.030 0.000 0.982 345 G CA 1.173 46.269 45.100 -0.007 0.000 0.632 345 G HN 1.090 nan 8.290 nan 0.000 0.529 346 T N -0.595 113.958 114.554 -0.002 0.000 2.652 346 T HA 0.201 4.551 4.350 -0.000 0.000 0.267 346 T C 1.236 175.904 174.700 -0.054 0.000 1.039 346 T CA 2.421 64.502 62.100 -0.032 0.000 1.153 346 T CB -0.081 68.838 68.868 0.085 0.000 0.863 346 T HN 0.918 nan 8.240 nan 0.000 0.428 347 T N 0.357 114.902 114.554 -0.015 0.000 2.731 347 T HA 0.507 4.857 4.350 -0.000 0.000 0.300 347 T C -2.308 172.364 174.700 -0.045 0.000 1.283 347 T CA -0.823 61.250 62.100 -0.044 0.000 1.005 347 T CB 1.849 70.690 68.868 -0.045 0.000 1.420 347 T HN 0.331 nan 8.240 nan 0.000 0.503 348 D N -0.106 120.248 120.400 -0.075 0.000 2.592 348 D HA 0.388 5.028 4.640 -0.000 0.000 0.263 348 D C 0.777 177.013 176.300 -0.107 0.000 1.132 348 D CA -0.831 53.127 54.000 -0.070 0.000 0.996 348 D CB 1.120 41.894 40.800 -0.044 0.000 1.442 348 D HN 0.553 nan 8.370 nan 0.000 0.486 349 K N -0.347 120.004 120.400 -0.083 0.000 2.113 349 K HA -0.239 4.081 4.320 -0.000 0.000 0.208 349 K C 1.530 178.095 176.600 -0.058 0.000 1.047 349 K CA 1.589 57.825 56.287 -0.085 0.000 0.928 349 K CB 0.081 32.554 32.500 -0.044 0.000 0.716 349 K HN 0.553 nan 8.250 nan 0.000 0.446 350 E N 0.367 120.547 120.200 -0.034 0.000 2.072 350 E HA -0.191 4.159 4.350 -0.000 0.000 0.191 350 E C 1.708 178.305 176.600 -0.004 0.000 0.985 350 E CA 1.185 57.581 56.400 -0.006 0.000 0.801 350 E CB 0.140 29.837 29.700 -0.005 0.000 0.750 350 E HN 0.381 nan 8.360 nan 0.000 0.452 351 E N 0.284 120.463 120.200 -0.035 0.000 2.047 351 E HA -0.190 4.160 4.350 -0.000 0.000 0.191 351 E C 2.188 178.771 176.600 -0.028 0.000 0.987 351 E CA 0.808 57.188 56.400 -0.033 0.000 0.799 351 E CB -0.012 29.651 29.700 -0.061 0.000 0.752 351 E HN 0.305 nan 8.360 nan 0.000 0.449 352 I N 1.359 121.862 120.570 -0.110 0.000 2.118 352 I HA -0.254 3.916 4.170 -0.000 0.000 0.241 352 I C 2.418 178.551 176.117 0.026 0.000 1.070 352 I CA 1.556 62.774 61.300 -0.137 0.000 1.327 352 I CB -1.779 35.982 38.000 -0.398 0.000 1.034 352 I HN 0.107 nan 8.210 nan 0.000 0.405 353 T N 1.533 116.094 114.554 0.011 0.000 2.652 353 T HA -0.147 4.203 4.350 -0.000 0.000 0.267 353 T C 2.084 176.900 174.700 0.194 0.000 1.039 353 T CA 1.783 63.926 62.100 0.071 0.000 1.153 353 T CB -0.491 68.442 68.868 0.109 0.000 0.863 353 T HN 0.469 nan 8.240 nan 0.000 0.428 354 A N 1.954 124.886 122.820 0.188 0.000 1.917 354 A HA -0.160 4.160 4.320 -0.000 0.000 0.219 354 A C 2.610 180.321 177.584 0.212 0.000 1.182 354 A CA 2.463 54.627 52.037 0.212 0.000 0.633 354 A CB -1.020 18.044 19.000 0.107 0.000 0.819 354 A HN 0.632 nan 8.150 nan 0.000 0.448 355 S N -0.652 115.156 115.700 0.179 0.000 2.402 355 S HA -0.061 4.409 4.470 -0.000 0.000 0.229 355 S C 1.810 176.605 174.600 0.324 0.000 1.021 355 S CA 1.278 59.602 58.200 0.208 0.000 0.974 355 S CB -0.406 62.894 63.200 0.168 0.000 0.800 355 S HN 0.266 nan 8.310 nan 0.000 0.484 356 L N 0.274 121.676 121.223 0.298 0.000 2.056 356 L HA 0.048 4.388 4.340 -0.000 0.000 0.207 356 L C 2.429 179.341 176.870 0.071 0.000 1.078 356 L CA 1.729 56.650 54.840 0.134 0.000 0.749 356 L CB -1.705 40.271 42.059 -0.138 0.000 0.901 356 L HN 0.367 nan 8.230 nan 0.000 0.433 357 Y N 0.114 120.489 120.300 0.125 0.000 2.224 357 Y HA -0.201 4.349 4.550 -0.000 0.000 0.289 357 Y C 2.829 178.808 175.900 0.133 0.000 1.146 357 Y CA 1.030 59.200 58.100 0.115 0.000 1.182 357 Y CB -0.092 38.420 38.460 0.087 0.000 0.983 357 Y HN 0.132 nan 8.280 nan 0.000 0.524 358 R N -0.660 120.006 120.500 0.276 0.000 2.073 358 R HA -0.155 4.185 4.340 -0.000 0.000 0.234 358 R C 2.149 178.575 176.300 0.210 0.000 1.134 358 R CA 1.671 57.895 56.100 0.207 0.000 0.952 358 R CB -0.779 29.611 30.300 0.150 0.000 0.850 358 R HN 0.196 nan 8.270 nan 0.000 0.433 359 V N 0.570 120.612 119.914 0.213 0.000 2.343 359 V HA -0.204 3.916 4.120 -0.000 0.000 0.247 359 V C 2.378 178.623 176.094 0.252 0.000 1.051 359 V CA 1.554 63.979 62.300 0.208 0.000 1.036 359 V CB -0.301 31.653 31.823 0.219 0.000 0.654 359 V HN 0.123 nan 8.190 nan 0.000 0.451 360 V N 0.114 120.167 119.914 0.233 0.000 2.358 360 V HA -0.227 3.893 4.120 -0.000 0.000 0.246 360 V C 2.260 178.601 176.094 0.412 0.000 1.047 360 V CA 2.108 64.594 62.300 0.311 0.000 1.035 360 V CB -0.664 31.280 31.823 0.203 0.000 0.658 360 V HN 0.544 nan 8.190 nan 0.000 0.452 361 D N -0.031 120.566 120.400 0.328 0.000 2.144 361 D HA -0.141 4.499 4.640 -0.000 0.000 0.200 361 D C 1.896 178.348 176.300 0.253 0.000 0.978 361 D CA 1.213 55.377 54.000 0.273 0.000 0.833 361 D CB -0.302 40.632 40.800 0.224 0.000 0.961 361 D HN 0.402 nan 8.370 nan 0.000 0.470 362 D N -0.554 120.011 120.400 0.275 0.000 2.144 362 D HA -0.128 4.512 4.640 -0.000 0.000 0.200 362 D C 1.810 178.337 176.300 0.378 0.000 0.978 362 D CA 0.459 54.623 54.000 0.273 0.000 0.833 362 D CB -0.379 40.583 40.800 0.269 0.000 0.961 362 D HN 0.327 nan 8.370 nan 0.000 0.470 363 W N 1.561 123.026 121.300 0.276 0.000 2.381 363 W HA -0.105 4.555 4.660 -0.000 0.000 0.301 363 W C 1.787 178.510 176.519 0.340 0.000 1.205 363 W CA 0.785 58.358 57.345 0.380 0.000 1.285 363 W CB -0.147 29.444 29.460 0.218 0.000 1.133 363 W HN -0.189 nan 8.180 nan 0.000 0.521 364 I N 1.508 122.151 120.570 0.121 0.000 2.179 364 I HA -0.242 3.928 4.170 -0.000 0.000 0.242 364 I C 2.598 178.650 176.117 -0.109 0.000 1.088 364 I CA 2.351 63.579 61.300 -0.119 0.000 1.357 364 I CB -2.072 35.974 38.000 0.078 0.000 1.051 364 I HN 0.318 nan 8.210 nan 0.000 0.409 365 E N 1.050 121.252 120.200 0.003 0.000 2.047 365 E HA -0.230 4.120 4.350 -0.000 0.000 0.191 365 E C 1.809 178.356 176.600 -0.088 0.000 0.987 365 E CA 1.760 58.147 56.400 -0.022 0.000 0.799 365 E CB -0.726 28.993 29.700 0.031 0.000 0.752 365 E HN 0.515 nan 8.360 nan 0.000 0.449 366 D N -1.672 118.677 120.400 -0.085 0.000 2.234 366 D HA 0.064 4.704 4.640 -0.000 0.000 0.205 366 D C 1.157 177.130 176.300 -0.546 0.000 0.962 366 D CA 1.029 54.840 54.000 -0.315 0.000 0.855 366 D CB 0.091 40.653 40.800 -0.397 0.000 0.951 366 D HN 0.657 nan 8.370 nan 0.000 0.500 367 Y N -0.198 120.002 120.300 -0.166 0.000 3.105 367 Y HA 0.409 4.959 4.550 -0.000 0.000 0.216 367 Y C 2.239 177.882 175.900 -0.429 0.000 0.943 367 Y CA 0.037 58.011 58.100 -0.210 0.000 1.535 367 Y CB -0.823 37.581 38.460 -0.093 0.000 1.475 367 Y HN -0.148 nan 8.280 nan 0.000 0.435 368 A N 0.952 123.438 122.820 -0.556 0.000 1.884 368 A HA -0.282 4.038 4.320 -0.000 0.000 0.219 368 A C 2.320 179.802 177.584 -0.171 0.000 1.197 368 A CA 3.090 54.858 52.037 -0.448 0.000 0.637 368 A CB -1.404 17.126 19.000 -0.784 0.000 0.827 368 A HN 0.539 nan 8.150 nan 0.000 0.450 369 S N -0.648 114.932 115.700 -0.199 0.000 2.442 369 S HA -0.159 4.310 4.470 -0.000 0.000 0.236 369 S C 1.755 176.255 174.600 -0.166 0.000 1.007 369 S CA 1.084 59.207 58.200 -0.129 0.000 0.965 369 S CB -0.411 62.724 63.200 -0.109 0.000 0.773 369 S HN 0.524 nan 8.310 nan 0.000 0.504 370 R N 1.682 121.991 120.500 -0.319 0.000 2.237 370 R HA 0.172 4.512 4.340 -0.000 0.000 0.219 370 R C 1.832 177.973 176.300 -0.264 0.000 1.080 370 R CA 1.084 56.918 56.100 -0.445 0.000 0.995 370 R CB -0.910 28.696 30.300 -1.157 0.000 0.875 370 R HN 0.853 nan 8.270 nan 0.000 0.462 371 I N -2.873 117.622 120.570 -0.125 0.000 4.050 371 I HA 0.262 4.432 4.170 -0.000 0.000 0.327 371 I C -0.970 175.178 176.117 0.052 0.000 1.473 371 I CA -0.289 61.024 61.300 0.021 0.000 1.124 371 I CB 0.485 38.564 38.000 0.132 0.000 1.129 371 I HN -0.228 nan 8.210 nan 0.000 0.428 372 D N 1.569 121.981 120.400 0.020 0.000 2.870 372 D HA -0.264 4.376 4.640 -0.000 0.000 0.228 372 D C -0.215 176.123 176.300 0.064 0.000 1.147 372 D CA 0.837 54.851 54.000 0.023 0.000 0.757 372 D CB -1.602 39.203 40.800 0.008 0.000 1.091 372 D HN 0.528 nan 8.370 nan 0.000 0.429 373 F N 1.685 121.623 119.950 -0.020 0.000 2.472 373 F HA 0.172 4.699 4.527 -0.000 0.000 0.364 373 F C 0.849 176.657 175.800 0.014 0.000 1.090 373 F CA -0.382 57.632 58.000 0.023 0.000 1.188 373 F CB 0.615 39.651 39.000 0.061 0.000 1.105 373 F HN -0.341 nan 8.300 nan 0.000 0.536 374 K N 6.834 126.923 120.400 -0.519 0.000 2.155 374 K HA 0.291 4.611 4.320 -0.000 0.000 0.240 374 K C -0.083 176.333 176.600 -0.307 0.000 1.193 374 K CA -0.055 56.041 56.287 -0.318 0.000 1.104 374 K CB -0.221 32.130 32.500 -0.247 0.000 1.558 374 K HN 0.610 nan 8.250 nan 0.000 0.313 375 A N 1.839 124.658 122.820 -0.001 0.000 2.388 375 A HA 0.123 4.443 4.320 -0.000 0.000 0.257 375 A C -0.071 177.626 177.584 0.189 0.000 1.095 375 A CA -0.399 51.801 52.037 0.272 0.000 0.791 375 A CB 0.330 19.680 19.000 0.582 0.000 1.029 375 A HN 0.485 nan 8.150 nan 0.000 0.489 376 D N 2.006 122.526 120.400 0.200 0.000 2.454 376 D HA 0.177 4.817 4.640 -0.000 0.000 0.225 376 D C 1.391 177.814 176.300 0.205 0.000 1.081 376 D CA -0.459 53.636 54.000 0.158 0.000 0.864 376 D CB 0.719 41.585 40.800 0.110 0.000 1.040 376 D HN 0.655 nan 8.370 nan 0.000 0.517 377 R N 3.116 123.758 120.500 0.236 0.000 2.091 377 R HA -0.168 4.171 4.340 -0.000 0.000 0.238 377 R C 1.073 177.539 176.300 0.276 0.000 1.136 377 R CA 1.655 57.928 56.100 0.288 0.000 0.959 377 R CB -0.453 30.070 30.300 0.371 0.000 0.856 377 R HN 0.339 nan 8.270 nan 0.000 0.437 378 D N 0.647 121.229 120.400 0.303 0.000 2.183 378 D HA -0.182 4.458 4.640 -0.000 0.000 0.203 378 D C 1.802 178.180 176.300 0.129 0.000 0.969 378 D CA 0.829 54.999 54.000 0.283 0.000 0.842 378 D CB -0.293 40.662 40.800 0.259 0.000 0.957 378 D HN 0.459 nan 8.370 nan 0.000 0.484 379 Q N -0.101 119.767 119.800 0.114 0.000 2.079 379 Q HA -0.087 4.253 4.340 -0.000 0.000 0.200 379 Q C 2.432 178.465 176.000 0.055 0.000 0.974 379 Q CA 0.700 56.550 55.803 0.079 0.000 0.840 379 Q CB 0.131 28.920 28.738 0.085 0.000 0.898 379 Q HN 0.300 nan 8.270 nan 0.000 0.430 380 I N -0.032 120.577 120.570 0.065 0.000 2.142 380 I HA -0.213 3.957 4.170 -0.000 0.000 0.240 380 I C 2.322 178.404 176.117 -0.059 0.000 1.078 380 I CA 1.122 62.437 61.300 0.026 0.000 1.343 380 I CB -1.157 36.879 38.000 0.059 0.000 1.046 380 I HN 0.062 nan 8.210 nan 0.000 0.405 381 V N 1.163 120.994 119.914 -0.138 0.000 2.295 381 V HA -0.269 3.850 4.120 -0.000 0.000 0.246 381 V C 2.524 178.533 176.094 -0.141 0.000 1.049 381 V CA 1.675 63.815 62.300 -0.266 0.000 1.024 381 V CB -0.728 30.689 31.823 -0.676 0.000 0.648 381 V HN 0.396 nan 8.190 nan 0.000 0.447 382 K N 0.254 120.618 120.400 -0.060 0.000 2.063 382 K HA -0.168 4.152 4.320 -0.000 0.000 0.208 382 K C 2.298 178.888 176.600 -0.017 0.000 1.048 382 K CA 1.524 57.802 56.287 -0.015 0.000 0.928 382 K CB -0.436 32.078 32.500 0.023 0.000 0.713 382 K HN 0.488 nan 8.250 nan 0.000 0.442 383 A N 0.997 123.808 122.820 -0.015 0.000 1.902 383 A HA -0.120 4.200 4.320 -0.000 0.000 0.217 383 A C 2.374 179.946 177.584 -0.021 0.000 1.181 383 A CA 1.405 53.437 52.037 -0.008 0.000 0.623 383 A CB -0.571 18.430 19.000 0.002 0.000 0.818 383 A HN 0.075 nan 8.150 nan 0.000 0.443 384 V N 0.112 119.996 119.914 -0.049 0.000 2.358 384 V HA -0.214 3.906 4.120 -0.000 0.000 0.246 384 V C 2.480 178.549 176.094 -0.042 0.000 1.047 384 V CA 1.737 64.002 62.300 -0.059 0.000 1.035 384 V CB -0.750 30.999 31.823 -0.124 0.000 0.658 384 V HN 0.569 nan 8.190 nan 0.000 0.452 385 L N 0.406 121.597 121.223 -0.052 0.000 2.261 385 L HA -0.169 4.171 4.340 -0.000 0.000 0.216 385 L C 2.610 179.477 176.870 -0.006 0.000 1.114 385 L CA 1.223 56.044 54.840 -0.031 0.000 0.777 385 L CB -0.761 41.277 42.059 -0.035 0.000 0.910 385 L HN 0.381 nan 8.230 nan 0.000 0.440 386 A N 0.293 123.111 122.820 -0.003 0.000 2.070 386 A HA -0.110 4.210 4.320 -0.000 0.000 0.220 386 A C 2.278 179.870 177.584 0.013 0.000 1.159 386 A CA 1.497 53.538 52.037 0.006 0.000 0.656 386 A CB -0.859 18.144 19.000 0.006 0.000 0.800 386 A HN 0.455 nan 8.150 nan 0.000 0.453 387 G N -1.002 107.809 108.800 0.018 0.000 2.744 387 G HA2 0.252 4.212 3.960 -0.000 0.000 0.211 387 G HA3 0.252 4.212 3.960 -0.000 0.000 0.211 387 G C 0.556 175.482 174.900 0.043 0.000 1.143 387 G CA -0.233 44.884 45.100 0.029 0.000 0.788 387 G HN 0.419 nan 8.290 nan 0.000 0.534 388 L N 0.806 122.055 121.223 0.044 0.000 2.416 388 L HA 0.274 4.614 4.340 -0.000 0.000 0.272 388 L C 0.508 177.404 176.870 0.043 0.000 1.161 388 L CA -0.048 54.827 54.840 0.059 0.000 0.845 388 L CB 1.073 43.154 42.059 0.036 0.000 1.119 388 L HN 0.091 nan 8.230 nan 0.000 0.464 389 K N 0.000 120.432 120.400 0.053 0.000 2.780 389 K HA 0.000 4.320 4.320 -0.000 0.000 0.191 389 K CA 0.000 56.310 56.287 0.039 0.000 0.838 389 K CB 0.000 32.522 32.500 0.036 0.000 1.064 389 K HN 0.000 nan 8.250 nan 0.000 0.543