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 2q71_1_A DATA FIRST_RESID 11 DATA SEQUENCE FPELKNDTFL RAAWGEETDY TPVWCMRQAG RYLPEFRETR AAQDFFSTCR DATA SEQUENCE SPEACCELTL QPLRRFPLDA AIIFSDILVV PQALGMEVTM VPGKGPSFPE DATA SEQUENCE PLREEQDLER LRDPEVVASE LGYVFQAITL TRQRLAGRVP LIGFAGAPWT DATA SEQUENCE LMTYMVERGG SSTMAQAKRW LYQRPQASHQ LLRILTDALV PYLVGQVVAG DATA SEQUENCE AQALQLFESH AGHLGPQLFN KFALPYIRDV AKQVKARLRE AGLAPVPMII DATA SEQUENCE FAKDGHFALE ELAQAGYEVV GLDWTVAPKK ARECVGKTVT LQGNLDPCAL DATA SEQUENCE YASEEEIGQL VKQMLDDFGP HRYIANLGHG LYPDMDPEHV GAFVDAVHKH DATA SEQUENCE SRLLRQ 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 11 F HA 0.000 nan 4.527 nan 0.000 0.279 11 F C 0.000 175.806 175.800 0.011 0.000 0.967 11 F CA 0.000 58.006 58.000 0.010 0.000 1.383 11 F CB 0.000 39.007 39.000 0.011 0.000 1.145 12 P HA 0.099 nan 4.420 nan 0.000 0.267 12 P C -0.797 176.569 177.300 0.110 0.000 1.200 12 P CA -0.282 62.892 63.100 0.123 0.000 0.772 12 P CB 0.613 32.374 31.700 0.102 0.000 0.855 13 E N 1.276 121.522 120.200 0.076 0.000 2.384 13 E HA 0.088 4.438 4.350 -0.000 0.000 0.266 13 E C -0.562 176.071 176.600 0.055 0.000 1.012 13 E CA -0.642 55.796 56.400 0.063 0.000 0.901 13 E CB 0.333 30.062 29.700 0.047 0.000 0.967 13 E HN 0.249 nan 8.360 nan 0.000 0.435 14 L N 5.161 126.416 121.223 0.053 0.000 2.410 14 L HA 0.056 4.396 4.340 -0.000 0.000 0.273 14 L C 0.589 177.487 176.870 0.047 0.000 1.144 14 L CA 0.734 55.603 54.840 0.048 0.000 0.863 14 L CB 0.606 42.696 42.059 0.052 0.000 1.140 14 L HN 0.623 nan 8.230 nan 0.000 0.463 15 K N 2.674 123.101 120.400 0.045 0.000 2.063 15 K HA 0.048 4.368 4.320 -0.000 0.000 0.204 15 K C 0.323 176.955 176.600 0.054 0.000 1.039 15 K CA 0.680 56.993 56.287 0.044 0.000 0.957 15 K CB -0.009 32.514 32.500 0.038 0.000 0.764 15 K HN 0.561 nan 8.250 nan 0.000 0.447 16 N N 1.989 120.727 118.700 0.063 0.000 2.457 16 N HA -0.016 4.724 4.740 -0.000 0.000 0.250 16 N C -1.072 174.491 175.510 0.090 0.000 0.982 16 N CA -0.327 52.774 53.050 0.085 0.000 0.941 16 N CB 0.987 39.536 38.487 0.103 0.000 1.120 16 N HN 0.123 nan 8.380 nan 0.000 0.505 17 D N 1.624 122.075 120.400 0.084 0.000 2.462 17 D HA 0.071 4.711 4.640 -0.000 0.000 0.221 17 D C 0.448 176.796 176.300 0.081 0.000 1.173 17 D CA -0.110 53.947 54.000 0.094 0.000 0.831 17 D CB -0.199 40.652 40.800 0.084 0.000 1.001 17 D HN 0.357 nan 8.370 nan 0.000 0.499 18 T N 0.370 114.954 114.554 0.051 0.000 2.665 18 T HA -0.183 4.167 4.350 -0.000 0.000 0.268 18 T C 1.325 176.014 174.700 -0.017 0.000 1.035 18 T CA 1.373 63.438 62.100 -0.059 0.000 1.151 18 T CB -0.586 68.135 68.868 -0.244 0.000 0.862 18 T HN 0.301 nan 8.240 nan 0.000 0.438 19 F N 1.688 121.598 119.950 -0.067 0.000 2.095 19 F HA -0.087 4.440 4.527 -0.000 0.000 0.298 19 F C 1.915 177.678 175.800 -0.062 0.000 1.104 19 F CA 1.234 59.196 58.000 -0.062 0.000 1.232 19 F CB -0.476 38.487 39.000 -0.062 0.000 0.987 19 F HN 0.071 nan 8.300 nan 0.000 0.475 20 L N -0.153 121.046 121.223 -0.040 0.000 2.056 20 L HA -0.157 4.183 4.340 -0.000 0.000 0.207 20 L C 2.708 179.572 176.870 -0.009 0.000 1.078 20 L CA 1.262 56.042 54.840 -0.099 0.000 0.749 20 L CB -0.683 41.465 42.059 0.148 0.000 0.901 20 L HN 0.051 nan 8.230 nan 0.000 0.433 21 R N 0.076 120.600 120.500 0.040 0.000 2.073 21 R HA -0.150 4.189 4.340 -0.000 0.000 0.234 21 R C 2.438 178.741 176.300 0.005 0.000 1.134 21 R CA 1.441 57.581 56.100 0.068 0.000 0.952 21 R CB -0.520 29.798 30.300 0.029 0.000 0.850 21 R HN 0.352 nan 8.270 nan 0.000 0.433 22 A N 1.288 124.047 122.820 -0.102 0.000 1.902 22 A HA -0.114 4.206 4.320 -0.000 0.000 0.217 22 A C 2.395 179.875 177.584 -0.173 0.000 1.181 22 A CA 1.653 53.616 52.037 -0.122 0.000 0.623 22 A CB -0.633 18.269 19.000 -0.163 0.000 0.818 22 A HN 0.406 nan 8.150 nan 0.000 0.443 23 A N -1.250 121.347 122.820 -0.371 0.000 1.908 23 A HA -0.208 4.112 4.320 -0.000 0.000 0.218 23 A C 1.948 179.325 177.584 -0.345 0.000 1.181 23 A CA 1.422 53.163 52.037 -0.493 0.000 0.627 23 A CB -0.968 17.523 19.000 -0.848 0.000 0.818 23 A HN 0.777 nan 8.150 nan 0.000 0.445 24 W N -1.497 119.723 121.300 -0.132 0.000 2.937 24 W HA 0.333 4.993 4.660 -0.000 0.000 0.245 24 W C 1.610 178.099 176.519 -0.050 0.000 1.306 24 W CA 0.661 57.961 57.345 -0.076 0.000 1.470 24 W CB 0.181 29.601 29.460 -0.067 0.000 1.132 24 W HN 0.619 nan 8.180 nan 0.000 0.675 25 G N 0.400 109.278 108.800 0.131 0.000 2.134 25 G HA2 -0.252 3.708 3.960 -0.000 0.000 0.209 25 G HA3 -0.252 3.708 3.960 -0.000 0.000 0.209 25 G C -0.145 174.807 174.900 0.086 0.000 0.993 25 G CA -0.515 44.642 45.100 0.094 0.000 0.669 25 G HN 0.288 nan 8.290 nan 0.000 0.519 26 E N 0.113 120.365 120.200 0.087 0.000 2.319 26 E HA 0.509 4.859 4.350 -0.000 0.000 0.268 26 E C 0.285 176.922 176.600 0.061 0.000 1.050 26 E CA -0.651 55.787 56.400 0.064 0.000 0.878 26 E CB 0.827 30.561 29.700 0.057 0.000 1.066 26 E HN 0.269 nan 8.360 nan 0.000 0.406 27 E N 1.058 121.298 120.200 0.066 0.000 2.414 27 E HA 0.053 4.403 4.350 -0.000 0.000 0.263 27 E C -0.820 175.803 176.600 0.039 0.000 1.000 27 E CA 0.225 56.678 56.400 0.088 0.000 0.914 27 E CB 0.532 30.290 29.700 0.097 0.000 0.948 27 E HN 0.485 nan 8.360 nan 0.000 0.444 28 T N 0.474 115.038 114.554 0.017 0.000 2.887 28 T HA 0.334 4.684 4.350 -0.000 0.000 0.292 28 T C 0.108 174.799 174.700 -0.016 0.000 1.087 28 T CA -0.906 61.168 62.100 -0.043 0.000 1.009 28 T CB 1.206 69.977 68.868 -0.162 0.000 1.203 28 T HN 0.210 nan 8.240 nan 0.000 0.518 29 D N -0.310 120.089 120.400 -0.001 0.000 2.317 29 D HA 0.171 4.811 4.640 -0.000 0.000 0.211 29 D C 0.239 176.653 176.300 0.190 0.000 0.966 29 D CA 1.297 55.358 54.000 0.101 0.000 0.876 29 D CB -0.118 40.775 40.800 0.156 0.000 0.927 29 D HN 0.716 nan 8.370 nan 0.000 0.519 30 Y N -3.493 116.821 120.300 0.023 0.000 2.689 30 Y HA 0.486 5.036 4.550 -0.000 0.000 0.333 30 Y C -0.727 175.202 175.900 0.049 0.000 1.208 30 Y CA -1.351 56.769 58.100 0.034 0.000 1.055 30 Y CB 0.646 39.112 38.460 0.010 0.000 1.304 30 Y HN -0.449 nan 8.280 nan 0.000 0.455 31 T N 5.044 119.695 114.554 0.162 0.000 2.749 31 T HA 0.347 4.696 4.350 -0.000 0.000 0.295 31 T C -2.620 172.128 174.700 0.080 0.000 0.936 31 T CA -1.118 60.992 62.100 0.017 0.000 1.060 31 T CB 0.604 69.490 68.868 0.030 0.000 0.904 31 T HN 0.384 nan 8.240 nan 0.000 0.500 32 P HA 0.396 nan 4.420 nan 0.000 0.274 32 P C -0.860 176.503 177.300 0.105 0.000 1.231 32 P CA -0.449 62.721 63.100 0.117 0.000 0.790 32 P CB 1.096 32.846 31.700 0.084 0.000 0.951 33 V N 4.173 124.197 119.914 0.183 0.000 2.888 33 V HA 0.819 4.938 4.120 -0.000 0.000 0.309 33 V C -1.642 174.587 176.094 0.225 0.000 1.114 33 V CA -0.543 61.788 62.300 0.051 0.000 0.940 33 V CB 1.829 33.496 31.823 -0.261 0.000 1.021 33 V HN 0.823 nan 8.190 nan 0.000 0.426 34 W N 4.191 125.480 121.300 -0.018 0.000 3.018 34 W HA 0.784 5.444 4.660 -0.000 0.000 0.352 34 W C -2.150 174.383 176.519 0.023 0.000 1.230 34 W CA -1.202 56.131 57.345 -0.019 0.000 1.162 34 W CB 1.077 30.474 29.460 -0.106 0.000 1.483 34 W HN 0.672 nan 8.180 nan 0.000 0.584 35 C N 2.186 121.473 119.300 -0.022 0.000 2.482 35 C HA 0.498 4.958 4.460 -0.000 0.000 0.317 35 C C 0.594 175.388 174.990 -0.327 0.000 1.197 35 C CA -0.576 58.254 59.018 -0.314 0.000 1.432 35 C CB 0.889 28.511 27.740 -0.196 0.000 2.062 35 C HN 0.614 nan 8.230 nan 0.000 0.471 36 M N 2.798 122.044 119.600 -0.589 0.000 2.248 36 M HA 0.139 4.619 4.480 -0.000 0.000 0.345 36 M C 0.978 177.181 176.300 -0.162 0.000 1.243 36 M CA 0.978 56.094 55.300 -0.307 0.000 1.090 36 M CB 0.242 32.656 32.600 -0.310 0.000 1.683 36 M HN 0.766 nan 8.290 nan 0.000 0.450 37 R N 0.608 121.082 120.500 -0.045 0.000 3.770 37 R HA -0.255 4.085 4.340 -0.000 0.000 0.305 37 R C 1.141 177.492 176.300 0.086 0.000 1.184 37 R CA 1.067 57.155 56.100 -0.019 0.000 0.823 37 R CB -2.040 28.197 30.300 -0.105 0.000 1.285 37 R HN 0.895 nan 8.270 nan 0.000 0.499 38 Q N -0.208 119.689 119.800 0.161 0.000 2.170 38 Q HA -0.014 4.326 4.340 -0.000 0.000 0.203 38 Q C 0.785 177.024 176.000 0.398 0.000 0.976 38 Q CA 1.598 57.574 55.803 0.288 0.000 0.858 38 Q CB 0.185 29.101 28.738 0.296 0.000 0.907 38 Q HN 0.419 nan 8.270 nan 0.000 0.433 39 A N 1.051 124.055 122.820 0.306 0.000 2.527 39 A HA 0.622 4.942 4.320 -0.000 0.000 0.313 39 A C 0.054 177.698 177.584 0.099 0.000 1.410 39 A CA 0.195 52.409 52.037 0.296 0.000 1.060 39 A CB 0.121 19.375 19.000 0.424 0.000 1.137 39 A HN 0.462 nan 8.150 nan 0.000 0.542 40 G N 0.720 109.337 108.800 -0.304 0.000 2.663 40 G HA2 0.427 4.387 3.960 -0.000 0.000 0.299 40 G HA3 0.427 4.387 3.960 -0.000 0.000 0.299 40 G C 0.225 174.444 174.900 -1.135 0.000 1.372 40 G CA -0.787 43.789 45.100 -0.873 0.000 0.781 40 G HN 0.471 nan 8.290 nan 0.000 0.491 41 R N -0.952 119.098 120.500 -0.750 0.000 2.237 41 R HA -0.052 4.288 4.340 -0.000 0.000 0.219 41 R C 2.112 178.354 176.300 -0.096 0.000 1.080 41 R CA 1.706 57.634 56.100 -0.288 0.000 0.995 41 R CB -0.390 29.875 30.300 -0.057 0.000 0.875 41 R HN 0.677 nan 8.270 nan 0.000 0.462 42 Y N -0.237 119.992 120.300 -0.117 0.000 2.497 42 Y HA 0.032 4.582 4.550 -0.000 0.000 0.292 42 Y C 0.408 176.320 175.900 0.021 0.000 1.137 42 Y CA 0.100 58.182 58.100 -0.031 0.000 1.285 42 Y CB -0.188 38.248 38.460 -0.040 0.000 0.991 42 Y HN -0.138 nan 8.280 nan 0.000 0.556 43 L N 3.265 124.005 121.223 -0.805 0.000 2.278 43 L HA 0.204 4.544 4.340 -0.000 0.000 0.287 43 L C -1.470 175.325 176.870 -0.125 0.000 1.072 43 L CA -2.024 52.529 54.840 -0.480 0.000 0.819 43 L CB 1.108 42.888 42.059 -0.464 0.000 1.176 43 L HN -0.034 nan 8.230 nan 0.000 0.435 44 P HA -0.197 nan 4.420 nan 0.000 0.216 44 P C 1.209 178.508 177.300 -0.002 0.000 1.150 44 P CA 1.019 64.112 63.100 -0.011 0.000 0.837 44 P CB 0.106 31.798 31.700 -0.013 0.000 0.786 45 E N -0.519 119.666 120.200 -0.024 0.000 2.204 45 E HA -0.204 4.146 4.350 -0.000 0.000 0.194 45 E C 1.998 178.586 176.600 -0.021 0.000 0.989 45 E CA 0.936 57.317 56.400 -0.032 0.000 0.824 45 E CB -1.427 28.243 29.700 -0.051 0.000 0.756 45 E HN 0.273 nan 8.360 nan 0.000 0.477 46 F N 2.445 122.311 119.950 -0.140 0.000 2.102 46 F HA -0.085 4.442 4.527 -0.000 0.000 0.298 46 F C 2.551 178.286 175.800 -0.109 0.000 1.105 46 F CA 1.627 59.544 58.000 -0.140 0.000 1.239 46 F CB 0.015 38.931 39.000 -0.140 0.000 0.991 46 F HN -0.169 nan 8.300 nan 0.000 0.474 47 R N 0.225 120.838 120.500 0.187 0.000 2.073 47 R HA -0.212 4.128 4.340 -0.000 0.000 0.234 47 R C 2.274 178.540 176.300 -0.056 0.000 1.134 47 R CA 1.800 57.958 56.100 0.097 0.000 0.952 47 R CB -0.764 29.605 30.300 0.114 0.000 0.850 47 R HN 0.464 nan 8.270 nan 0.000 0.433 48 E N 0.213 120.378 120.200 -0.058 0.000 2.033 48 E HA -0.205 4.145 4.350 -0.000 0.000 0.199 48 E C 1.622 178.140 176.600 -0.136 0.000 1.011 48 E CA 2.060 58.412 56.400 -0.080 0.000 0.815 48 E CB 0.040 29.703 29.700 -0.062 0.000 0.755 48 E HN 0.210 nan 8.360 nan 0.000 0.451 49 T N 0.783 115.217 114.554 -0.200 0.000 2.746 49 T HA -0.099 4.251 4.350 -0.000 0.000 0.267 49 T C 1.808 176.319 174.700 -0.314 0.000 1.039 49 T CA 0.947 62.892 62.100 -0.257 0.000 1.142 49 T CB -0.126 68.554 68.868 -0.314 0.000 0.866 49 T HN 0.094 nan 8.240 nan 0.000 0.444 50 R N 1.045 121.287 120.500 -0.430 0.000 2.237 50 R HA 0.169 4.509 4.340 -0.000 0.000 0.219 50 R C 2.501 178.692 176.300 -0.182 0.000 1.080 50 R CA 0.841 56.712 56.100 -0.382 0.000 0.995 50 R CB -0.700 29.297 30.300 -0.505 0.000 0.875 50 R HN 0.414 nan 8.270 nan 0.000 0.462 51 A N 0.691 123.429 122.820 -0.137 0.000 2.067 51 A HA 0.003 4.323 4.320 -0.000 0.000 0.219 51 A C 2.232 179.772 177.584 -0.073 0.000 1.158 51 A CA 1.407 53.398 52.037 -0.076 0.000 0.661 51 A CB -0.208 18.759 19.000 -0.056 0.000 0.801 51 A HN 0.302 nan 8.150 nan 0.000 0.452 52 A N -1.225 121.536 122.820 -0.097 0.000 1.970 52 A HA 0.181 4.501 4.320 -0.000 0.000 0.216 52 A C 1.130 178.668 177.584 -0.076 0.000 1.170 52 A CA 1.000 52.987 52.037 -0.084 0.000 0.645 52 A CB -0.039 18.904 19.000 -0.096 0.000 0.816 52 A HN 0.585 nan 8.150 nan 0.000 0.447 53 Q N -0.002 119.744 119.800 -0.091 0.000 2.445 53 Q HA 0.387 4.727 4.340 -0.000 0.000 0.281 53 Q C -0.811 175.161 176.000 -0.047 0.000 1.101 53 Q CA -0.700 55.061 55.803 -0.071 0.000 0.833 53 Q CB 1.279 29.963 28.738 -0.090 0.000 1.416 53 Q HN 0.530 nan 8.270 nan 0.000 0.451 54 D N -0.122 120.269 120.400 -0.015 0.000 2.371 54 D HA -0.049 4.590 4.640 -0.000 0.000 0.242 54 D C 0.255 176.576 176.300 0.035 0.000 1.218 54 D CA -0.307 53.712 54.000 0.031 0.000 0.945 54 D CB 0.645 41.480 40.800 0.058 0.000 1.137 54 D HN 0.531 nan 8.370 nan 0.000 0.464 55 F N 0.023 119.922 119.950 -0.085 0.000 2.102 55 F HA -0.101 4.426 4.527 -0.000 0.000 0.298 55 F C 1.883 177.560 175.800 -0.205 0.000 1.105 55 F CA 1.217 59.110 58.000 -0.179 0.000 1.239 55 F CB -0.276 38.520 39.000 -0.340 0.000 0.991 55 F HN 0.274 nan 8.300 nan 0.000 0.474 56 F N -0.636 119.361 119.950 0.078 0.000 2.456 56 F HA -0.072 4.455 4.527 -0.000 0.000 0.298 56 F C 2.770 178.461 175.800 -0.181 0.000 1.104 56 F CA 0.940 58.896 58.000 -0.073 0.000 1.435 56 F CB -0.644 38.375 39.000 0.032 0.000 1.078 56 F HN 0.075 nan 8.300 nan 0.000 0.546 57 S N -0.322 115.374 115.700 -0.007 0.000 2.357 57 S HA -0.166 4.304 4.470 -0.000 0.000 0.221 57 S C 2.164 176.690 174.600 -0.123 0.000 1.031 57 S CA 1.984 60.138 58.200 -0.077 0.000 0.982 57 S CB -0.560 62.611 63.200 -0.049 0.000 0.853 57 S HN 0.311 nan 8.310 nan 0.000 0.458 58 T N 1.453 115.916 114.554 -0.151 0.000 2.653 58 T HA -0.177 4.173 4.350 -0.000 0.000 0.268 58 T C 1.953 176.597 174.700 -0.094 0.000 1.035 58 T CA 1.746 63.743 62.100 -0.171 0.000 1.154 58 T CB -1.007 67.705 68.868 -0.261 0.000 0.862 58 T HN 0.553 nan 8.240 nan 0.000 0.441 59 C N 1.028 120.248 119.300 -0.134 0.000 2.419 59 C HA 0.017 4.477 4.460 -0.000 0.000 0.281 59 C C 2.626 177.640 174.990 0.040 0.000 1.336 59 C CA 0.403 59.421 59.018 0.001 0.000 1.770 59 C CB -1.086 26.624 27.740 -0.050 0.000 1.929 59 C HN 0.494 nan 8.230 nan 0.000 0.509 60 R N 0.260 120.639 120.500 -0.201 0.000 2.310 60 R HA 0.033 4.373 4.340 -0.000 0.000 0.202 60 R C 0.805 177.051 176.300 -0.091 0.000 0.933 60 R CA 0.128 56.010 56.100 -0.364 0.000 1.054 60 R CB 0.031 29.974 30.300 -0.597 0.000 0.985 60 R HN 0.346 nan 8.270 nan 0.000 0.489 61 S N 1.263 116.941 115.700 -0.037 0.000 2.423 61 S HA 0.235 4.705 4.470 -0.000 0.000 0.317 61 S C -1.911 172.711 174.600 0.036 0.000 1.065 61 S CA -2.066 56.127 58.200 -0.012 0.000 1.111 61 S CB 1.172 64.343 63.200 -0.049 0.000 0.968 61 S HN -0.117 nan 8.310 nan 0.000 0.474 62 P HA -0.152 nan 4.420 nan 0.000 0.216 62 P C 1.341 178.671 177.300 0.049 0.000 1.154 62 P CA 1.184 64.331 63.100 0.078 0.000 0.865 62 P CB 0.174 31.923 31.700 0.081 0.000 0.789 63 E N -0.614 119.598 120.200 0.021 0.000 2.077 63 E HA -0.138 4.212 4.350 -0.000 0.000 0.193 63 E C 2.097 178.679 176.600 -0.029 0.000 0.989 63 E CA 1.453 57.852 56.400 -0.001 0.000 0.800 63 E CB -0.827 28.866 29.700 -0.012 0.000 0.746 63 E HN 0.169 nan 8.360 nan 0.000 0.452 64 A N 0.967 123.756 122.820 -0.053 0.000 1.902 64 A HA -0.187 4.132 4.320 -0.000 0.000 0.217 64 A C 2.633 180.144 177.584 -0.122 0.000 1.181 64 A CA 1.441 53.407 52.037 -0.119 0.000 0.623 64 A CB -0.921 17.986 19.000 -0.154 0.000 0.818 64 A HN 0.332 nan 8.150 nan 0.000 0.443 65 C N -1.705 117.589 119.300 -0.010 0.000 2.429 65 C HA -0.140 4.320 4.460 -0.000 0.000 0.277 65 C C 2.988 178.035 174.990 0.095 0.000 1.262 65 C CA 0.711 59.797 59.018 0.114 0.000 1.733 65 C CB -1.669 26.206 27.740 0.225 0.000 2.010 65 C HN 0.790 nan 8.230 nan 0.000 0.483 66 C N 1.216 120.551 119.300 0.060 0.000 2.432 66 C HA -0.140 4.320 4.460 -0.000 0.000 0.277 66 C C 2.780 177.781 174.990 0.019 0.000 1.249 66 C CA 2.103 61.151 59.018 0.050 0.000 1.725 66 C CB -1.383 26.380 27.740 0.039 0.000 2.028 66 C HN 0.686 nan 8.230 nan 0.000 0.477 67 E N 0.680 120.866 120.200 -0.023 0.000 2.058 67 E HA -0.182 4.168 4.350 -0.000 0.000 0.194 67 E C 1.999 178.566 176.600 -0.055 0.000 0.997 67 E CA 1.893 58.263 56.400 -0.050 0.000 0.801 67 E CB -0.661 28.988 29.700 -0.086 0.000 0.746 67 E HN 0.726 nan 8.360 nan 0.000 0.450 68 L N -0.020 121.139 121.223 -0.105 0.000 2.083 68 L HA -0.154 4.186 4.340 -0.000 0.000 0.209 68 L C 2.503 179.428 176.870 0.091 0.000 1.083 68 L CA 1.628 56.416 54.840 -0.085 0.000 0.752 68 L CB -0.683 41.144 42.059 -0.387 0.000 0.899 68 L HN 0.221 nan 8.230 nan 0.000 0.433 69 T N 0.284 114.911 114.554 0.122 0.000 2.746 69 T HA -0.149 4.201 4.350 -0.000 0.000 0.267 69 T C 1.959 176.720 174.700 0.103 0.000 1.039 69 T CA 1.210 63.404 62.100 0.157 0.000 1.142 69 T CB -0.182 68.772 68.868 0.144 0.000 0.866 69 T HN 0.207 nan 8.240 nan 0.000 0.444 70 L N 0.609 121.867 121.223 0.060 0.000 2.156 70 L HA -0.088 4.252 4.340 -0.000 0.000 0.208 70 L C 2.856 179.742 176.870 0.026 0.000 1.095 70 L CA 1.067 55.928 54.840 0.036 0.000 0.770 70 L CB -0.609 41.459 42.059 0.014 0.000 0.914 70 L HN 0.328 nan 8.230 nan 0.000 0.439 71 Q N 0.193 120.008 119.800 0.024 0.000 2.029 71 Q HA -0.230 4.110 4.340 -0.000 0.000 0.209 71 Q C -0.485 175.502 176.000 -0.021 0.000 0.999 71 Q CA 2.365 58.165 55.803 -0.005 0.000 0.857 71 Q CB -1.140 27.600 28.738 0.005 0.000 0.926 71 Q HN 0.436 nan 8.270 nan 0.000 0.415 72 P HA -0.165 nan 4.420 nan 0.000 0.218 72 P C 1.092 178.421 177.300 0.048 0.000 1.149 72 P CA 1.313 64.480 63.100 0.111 0.000 0.817 72 P CB -0.153 31.745 31.700 0.329 0.000 0.785 73 L N -1.027 120.236 121.223 0.067 0.000 2.376 73 L HA -0.001 4.339 4.340 -0.000 0.000 0.219 73 L C 2.708 179.569 176.870 -0.015 0.000 1.133 73 L CA 0.939 55.811 54.840 0.054 0.000 0.816 73 L CB -0.763 41.329 42.059 0.056 0.000 0.933 73 L HN -0.056 nan 8.230 nan 0.000 0.449 74 R N -0.131 120.328 120.500 -0.068 0.000 2.153 74 R HA -0.003 4.337 4.340 -0.000 0.000 0.218 74 R C 2.271 178.462 176.300 -0.182 0.000 1.072 74 R CA 0.572 56.614 56.100 -0.096 0.000 0.990 74 R CB 0.019 30.267 30.300 -0.086 0.000 0.889 74 R HN 0.352 nan 8.270 nan 0.000 0.452 75 R N -0.507 119.773 120.500 -0.368 0.000 2.128 75 R HA 0.129 4.469 4.340 -0.000 0.000 0.211 75 R C -0.051 175.892 176.300 -0.596 0.000 1.067 75 R CA 0.724 56.415 56.100 -0.682 0.000 1.010 75 R CB 0.391 29.863 30.300 -1.379 0.000 0.922 75 R HN 0.014 nan 8.270 nan 0.000 0.457 76 F N 0.631 120.624 119.950 0.071 0.000 2.551 76 F HA 0.351 4.878 4.527 -0.000 0.000 0.316 76 F C -2.017 173.831 175.800 0.079 0.000 1.089 76 F CA -2.916 55.128 58.000 0.074 0.000 0.915 76 F CB 1.760 40.812 39.000 0.088 0.000 1.186 76 F HN -0.221 nan 8.300 nan 0.000 0.456 77 P HA 0.118 nan 4.420 nan 0.000 0.225 77 P C -0.424 177.045 177.300 0.282 0.000 1.768 77 P CA 0.246 63.474 63.100 0.214 0.000 0.943 77 P CB -0.212 31.593 31.700 0.175 0.000 1.936 78 L N 0.967 122.344 121.223 0.256 0.000 2.483 78 L HA 0.078 4.418 4.340 -0.000 0.000 0.276 78 L C 1.578 178.570 176.870 0.203 0.000 1.213 78 L CA 0.377 55.356 54.840 0.231 0.000 0.843 78 L CB 0.288 42.489 42.059 0.236 0.000 1.107 78 L HN 0.057 nan 8.230 nan 0.000 0.487 79 D N 1.760 122.292 120.400 0.220 0.000 2.339 79 D HA 0.230 4.870 4.640 -0.000 0.000 0.217 79 D C 0.149 176.447 176.300 -0.003 0.000 1.050 79 D CA 0.371 54.483 54.000 0.188 0.000 0.856 79 D CB 0.713 41.698 40.800 0.309 0.000 0.922 79 D HN 0.544 nan 8.370 nan 0.000 0.518 80 A N 0.233 122.972 122.820 -0.135 0.000 2.574 80 A HA 0.678 4.998 4.320 -0.000 0.000 0.297 80 A C -1.241 176.171 177.584 -0.286 0.000 1.062 80 A CA -0.604 51.163 52.037 -0.450 0.000 0.686 80 A CB 1.661 19.892 19.000 -1.281 0.000 1.285 80 A HN 0.031 nan 8.150 nan 0.000 0.403 81 A N 0.862 123.516 122.820 -0.277 0.000 2.306 81 A HA 0.801 5.121 4.320 -0.000 0.000 0.330 81 A C -0.456 176.977 177.584 -0.252 0.000 1.146 81 A CA -0.420 51.525 52.037 -0.153 0.000 0.827 81 A CB 0.606 19.567 19.000 -0.066 0.000 1.178 81 A HN 1.580 nan 8.150 nan 0.000 0.490 82 I N 1.987 122.493 120.570 -0.105 0.000 2.465 82 I HA 0.467 4.637 4.170 -0.000 0.000 0.291 82 I C -0.652 175.549 176.117 0.141 0.000 1.014 82 I CA -1.149 60.115 61.300 -0.061 0.000 1.093 82 I CB 1.207 39.149 38.000 -0.096 0.000 1.267 82 I HN 0.704 nan 8.210 nan 0.000 0.431 83 I N 7.215 127.904 120.570 0.199 0.000 2.815 83 I HA -0.014 4.156 4.170 -0.000 0.000 0.291 83 I C -0.696 175.660 176.117 0.399 0.000 1.209 83 I CA 0.572 62.024 61.300 0.254 0.000 1.431 83 I CB 0.295 38.401 38.000 0.176 0.000 1.351 83 I HN 0.465 nan 8.210 nan 0.000 0.585 84 F N 7.694 127.781 119.950 0.229 0.000 2.471 84 F HA 0.469 4.996 4.527 -0.000 0.000 0.365 84 F C 0.438 176.381 175.800 0.238 0.000 1.095 84 F CA 0.821 58.970 58.000 0.248 0.000 1.174 84 F CB 0.253 39.354 39.000 0.169 0.000 1.105 84 F HN 0.579 nan 8.300 nan 0.000 0.535 85 S N 3.660 119.145 115.700 -0.359 0.000 2.761 85 S HA 0.362 4.832 4.470 -0.000 0.000 0.290 85 S C -2.163 172.409 174.600 -0.046 0.000 1.222 85 S CA -0.711 57.368 58.200 -0.202 0.000 0.954 85 S CB 1.007 64.146 63.200 -0.102 0.000 1.281 85 S HN 0.711 nan 8.310 nan 0.000 0.527 86 D N -0.367 120.125 120.400 0.153 0.000 2.661 86 D HA 0.468 5.108 4.640 -0.000 0.000 0.228 86 D C 1.202 177.692 176.300 0.317 0.000 1.183 86 D CA -0.222 53.971 54.000 0.321 0.000 0.844 86 D CB 1.128 42.164 40.800 0.394 0.000 1.555 86 D HN 0.515 nan 8.370 nan 0.000 0.453 87 I N 0.131 120.906 120.570 0.341 0.000 2.567 87 I HA -0.050 4.120 4.170 -0.000 0.000 0.257 87 I C 1.017 177.217 176.117 0.138 0.000 1.184 87 I CA 0.994 62.447 61.300 0.255 0.000 1.451 87 I CB -0.232 37.903 38.000 0.224 0.000 1.089 87 I HN 0.343 nan 8.210 nan 0.000 0.441 88 L N 1.496 122.797 121.223 0.131 0.000 2.610 88 L HA -0.010 4.330 4.340 -0.000 0.000 0.232 88 L C 2.593 179.509 176.870 0.076 0.000 1.149 88 L CA 0.417 55.321 54.840 0.106 0.000 0.872 88 L CB -0.338 41.782 42.059 0.102 0.000 0.992 88 L HN 0.384 nan 8.230 nan 0.000 0.447 89 V N -4.092 115.886 119.914 0.106 0.000 2.594 89 V HA -0.167 3.953 4.120 -0.000 0.000 0.253 89 V C 2.170 178.184 176.094 -0.133 0.000 1.069 89 V CA 1.256 63.557 62.300 0.001 0.000 1.082 89 V CB -0.595 31.244 31.823 0.027 0.000 0.680 89 V HN 0.175 nan 8.190 nan 0.000 0.469 90 V N 0.823 120.661 119.914 -0.127 0.000 2.244 90 V HA -0.071 4.049 4.120 -0.000 0.000 0.244 90 V C 0.589 176.644 176.094 -0.065 0.000 1.042 90 V CA 2.695 64.902 62.300 -0.155 0.000 1.006 90 V CB -1.863 29.910 31.823 -0.083 0.000 0.641 90 V HN 0.491 nan 8.190 nan 0.000 0.446 91 P HA -0.212 nan 4.420 nan 0.000 0.217 91 P C 1.755 179.080 177.300 0.041 0.000 1.151 91 P CA 1.576 64.725 63.100 0.082 0.000 0.849 91 P CB -0.046 31.824 31.700 0.284 0.000 0.787 92 Q N -0.750 119.022 119.800 -0.048 0.000 2.030 92 Q HA -0.142 4.198 4.340 -0.000 0.000 0.204 92 Q C 2.289 178.230 176.000 -0.098 0.000 0.986 92 Q CA 1.903 57.623 55.803 -0.140 0.000 0.843 92 Q CB -0.832 27.747 28.738 -0.264 0.000 0.904 92 Q HN 0.162 nan 8.270 nan 0.000 0.420 93 A N 0.381 123.139 122.820 -0.103 0.000 2.070 93 A HA -0.111 4.209 4.320 -0.000 0.000 0.220 93 A C 1.860 179.402 177.584 -0.070 0.000 1.159 93 A CA 0.894 52.871 52.037 -0.099 0.000 0.656 93 A CB -0.453 18.444 19.000 -0.170 0.000 0.800 93 A HN 0.319 nan 8.150 nan 0.000 0.453 94 L N -1.554 119.637 121.223 -0.053 0.000 2.610 94 L HA 0.125 4.465 4.340 -0.000 0.000 0.232 94 L C 1.665 178.526 176.870 -0.014 0.000 1.149 94 L CA 0.690 55.514 54.840 -0.027 0.000 0.872 94 L CB -0.007 42.041 42.059 -0.018 0.000 0.992 94 L HN 0.599 nan 8.230 nan 0.000 0.447 95 G N -0.899 107.889 108.800 -0.021 0.000 2.168 95 G HA2 -0.218 3.742 3.960 -0.000 0.000 0.197 95 G HA3 -0.218 3.742 3.960 -0.000 0.000 0.197 95 G C 0.221 175.118 174.900 -0.004 0.000 0.997 95 G CA -0.486 44.605 45.100 -0.015 0.000 0.658 95 G HN 0.142 nan 8.290 nan 0.000 0.513 96 M N 1.459 121.068 119.600 0.015 0.000 2.216 96 M HA 0.370 4.850 4.480 -0.000 0.000 0.356 96 M C -0.013 176.260 176.300 -0.044 0.000 1.205 96 M CA -0.389 54.945 55.300 0.056 0.000 1.122 96 M CB 0.893 33.624 32.600 0.218 0.000 1.571 96 M HN -0.009 nan 8.290 nan 0.000 0.464 97 E N 2.696 122.865 120.200 -0.052 0.000 2.290 97 E HA 0.305 4.655 4.350 -0.000 0.000 0.277 97 E C -1.026 175.395 176.600 -0.299 0.000 1.035 97 E CA -0.117 56.194 56.400 -0.147 0.000 0.873 97 E CB 1.187 30.840 29.700 -0.079 0.000 1.029 97 E HN 0.336 nan 8.360 nan 0.000 0.419 98 V N 2.948 122.582 119.914 -0.467 0.000 2.531 98 V HA 0.340 4.460 4.120 -0.000 0.000 0.301 98 V C 0.202 176.098 176.094 -0.330 0.000 1.034 98 V CA -0.823 61.078 62.300 -0.665 0.000 0.865 98 V CB 1.936 33.159 31.823 -1.000 0.000 0.995 98 V HN 0.772 nan 8.190 nan 0.000 0.424 99 T N 2.472 116.938 114.554 -0.146 0.000 2.888 99 T HA 0.649 4.999 4.350 -0.000 0.000 0.284 99 T C -0.401 174.368 174.700 0.115 0.000 1.017 99 T CA -0.845 61.274 62.100 0.031 0.000 1.022 99 T CB 1.641 70.513 68.868 0.007 0.000 1.013 99 T HN 0.299 nan 8.240 nan 0.000 0.465 100 M N 3.630 123.331 119.600 0.169 0.000 2.094 100 M HA 0.294 4.774 4.480 -0.000 0.000 0.348 100 M C -0.669 175.644 176.300 0.022 0.000 1.267 100 M CA -0.765 54.563 55.300 0.047 0.000 1.125 100 M CB 0.655 33.230 32.600 -0.041 0.000 1.527 100 M HN 0.565 nan 8.290 nan 0.000 0.447 101 V N 7.978 127.897 119.914 0.008 0.000 2.427 101 V HA 0.178 4.298 4.120 -0.000 0.000 0.268 101 V C -1.857 174.239 176.094 0.003 0.000 1.046 101 V CA -1.461 60.847 62.300 0.013 0.000 0.970 101 V CB 0.594 32.429 31.823 0.020 0.000 1.001 101 V HN 0.606 nan 8.190 nan 0.000 0.476 102 P HA 0.003 nan 4.420 nan 0.000 0.257 102 P C 1.037 178.340 177.300 0.005 0.000 1.162 102 P CA 1.389 64.494 63.100 0.008 0.000 0.762 102 P CB 0.178 31.885 31.700 0.012 0.000 0.753 103 G N 3.144 111.946 108.800 0.003 0.000 2.269 103 G HA2 -0.340 3.620 3.960 -0.000 0.000 0.277 103 G HA3 -0.340 3.620 3.960 -0.000 0.000 0.277 103 G C 0.731 175.630 174.900 -0.001 0.000 1.008 103 G CA 0.766 45.867 45.100 0.002 0.000 0.774 103 G HN 0.604 nan 8.290 nan 0.000 0.511 104 K N -1.433 118.965 120.400 -0.004 0.000 2.562 104 K HA 0.456 4.776 4.320 -0.000 0.000 0.218 104 K C 1.252 177.853 176.600 0.002 0.000 1.374 104 K CA 0.365 56.653 56.287 0.003 0.000 0.996 104 K CB 1.345 33.852 32.500 0.012 0.000 1.127 104 K HN 1.432 nan 8.250 nan 0.000 0.603 105 G N 2.487 111.273 108.800 -0.024 0.000 2.582 105 G HA2 -0.167 3.793 3.960 -0.000 0.000 0.222 105 G HA3 -0.167 3.793 3.960 -0.000 0.000 0.222 105 G C -2.959 171.922 174.900 -0.031 0.000 1.311 105 G CA -1.001 44.070 45.100 -0.049 0.000 0.915 105 G HN -0.094 nan 8.290 nan 0.000 0.528 106 P HA 0.460 nan 4.420 nan 0.000 0.271 106 P C -0.388 176.978 177.300 0.110 0.000 1.216 106 P CA 0.474 63.594 63.100 0.033 0.000 0.776 106 P CB 1.644 33.372 31.700 0.047 0.000 0.881 107 S N 1.911 117.645 115.700 0.055 0.000 2.536 107 S HA 0.631 5.101 4.470 -0.000 0.000 0.271 107 S C -1.605 172.990 174.600 -0.008 0.000 1.134 107 S CA -0.596 57.673 58.200 0.115 0.000 0.897 107 S CB 0.382 63.630 63.200 0.081 0.000 1.094 107 S HN 0.111 nan 8.310 nan 0.000 0.473 108 F N 5.073 125.051 119.950 0.046 0.000 2.308 108 F HA 0.410 4.937 4.527 -0.000 0.000 0.370 108 F C -1.301 174.505 175.800 0.011 0.000 1.100 108 F CA -1.958 56.052 58.000 0.017 0.000 1.108 108 F CB 1.417 40.424 39.000 0.011 0.000 1.293 108 F HN 0.434 nan 8.300 nan 0.000 0.478 109 P HA -0.163 nan 4.420 nan 0.000 0.218 109 P C -0.173 177.179 177.300 0.088 0.000 1.148 109 P CA 1.319 64.468 63.100 0.081 0.000 0.822 109 P CB 0.353 32.076 31.700 0.038 0.000 0.784 110 E N 0.258 120.523 120.200 0.108 0.000 2.916 110 E HA 0.263 4.613 4.350 -0.000 0.000 0.217 110 E C -2.421 174.239 176.600 0.101 0.000 1.100 110 E CA -2.128 54.324 56.400 0.088 0.000 0.891 110 E CB 0.303 30.041 29.700 0.063 0.000 1.311 110 E HN 0.294 nan 8.360 nan 0.000 0.421 111 P HA 0.000 nan 4.420 nan 0.000 0.270 111 P C -0.140 177.169 177.300 0.014 0.000 1.223 111 P CA -0.253 62.851 63.100 0.006 0.000 0.785 111 P CB 0.809 32.486 31.700 -0.038 0.000 0.923 112 L N 2.623 123.824 121.223 -0.037 0.000 2.534 112 L HA 0.075 4.415 4.340 -0.000 0.000 0.271 112 L C 1.876 178.866 176.870 0.199 0.000 1.178 112 L CA 0.102 54.971 54.840 0.048 0.000 0.907 112 L CB 0.022 42.045 42.059 -0.060 0.000 1.164 112 L HN 0.345 nan 8.230 nan 0.000 0.482 113 R N 2.128 122.778 120.500 0.250 0.000 2.250 113 R HA 0.154 4.494 4.340 -0.000 0.000 0.194 113 R C 0.281 176.736 176.300 0.259 0.000 0.927 113 R CA 0.442 56.698 56.100 0.260 0.000 1.052 113 R CB 0.605 30.979 30.300 0.123 0.000 1.055 113 R HN 0.826 nan 8.270 nan 0.000 0.537 114 E N -0.966 119.364 120.200 0.217 0.000 2.458 114 E HA 0.142 4.492 4.350 -0.000 0.000 0.278 114 E C -0.114 176.513 176.600 0.045 0.000 1.004 114 E CA -0.606 55.766 56.400 -0.046 0.000 0.823 114 E CB 1.115 30.774 29.700 -0.068 0.000 1.396 114 E HN -0.140 nan 8.360 nan 0.000 0.463 115 E N 0.232 120.355 120.200 -0.129 0.000 2.160 115 E HA -0.275 4.075 4.350 -0.000 0.000 0.195 115 E C 1.841 178.497 176.600 0.094 0.000 0.991 115 E CA 1.516 57.927 56.400 0.019 0.000 0.810 115 E CB 0.119 29.787 29.700 -0.053 0.000 0.742 115 E HN 0.579 nan 8.360 nan 0.000 0.466 116 Q N 0.165 119.996 119.800 0.051 0.000 2.224 116 Q HA -0.169 4.171 4.340 -0.000 0.000 0.203 116 Q C 1.107 177.151 176.000 0.074 0.000 0.970 116 Q CA 1.479 57.313 55.803 0.052 0.000 0.865 116 Q CB 0.098 28.853 28.738 0.028 0.000 0.922 116 Q HN 0.306 nan 8.270 nan 0.000 0.445 117 D N 0.631 121.094 120.400 0.106 0.000 2.309 117 D HA -0.138 4.502 4.640 -0.000 0.000 0.212 117 D C 1.746 178.102 176.300 0.094 0.000 0.968 117 D CA 0.606 54.668 54.000 0.104 0.000 0.882 117 D CB -0.109 40.770 40.800 0.131 0.000 0.918 117 D HN 0.357 nan 8.370 nan 0.000 0.503 118 L N 0.662 121.955 121.223 0.116 0.000 2.187 118 L HA -0.159 4.181 4.340 -0.000 0.000 0.213 118 L C 2.096 179.001 176.870 0.058 0.000 1.100 118 L CA 1.001 55.893 54.840 0.087 0.000 0.765 118 L CB -0.445 41.679 42.059 0.109 0.000 0.904 118 L HN 0.054 nan 8.230 nan 0.000 0.437 119 E N 0.455 120.688 120.200 0.056 0.000 2.209 119 E HA -0.241 4.109 4.350 -0.000 0.000 0.196 119 E C 2.148 178.768 176.600 0.033 0.000 0.993 119 E CA 1.098 57.523 56.400 0.042 0.000 0.819 119 E CB -0.070 29.653 29.700 0.038 0.000 0.745 119 E HN 0.583 nan 8.360 nan 0.000 0.477 120 R N 0.862 121.382 120.500 0.034 0.000 2.193 120 R HA 0.009 4.349 4.340 -0.000 0.000 0.213 120 R C 0.747 177.059 176.300 0.020 0.000 1.055 120 R CA 0.214 56.330 56.100 0.026 0.000 0.995 120 R CB -0.382 29.935 30.300 0.028 0.000 0.893 120 R HN 0.007 nan 8.270 nan 0.000 0.459 121 L N 2.581 123.816 121.223 0.020 0.000 2.456 121 L HA 0.187 4.527 4.340 -0.000 0.000 0.272 121 L C 0.552 177.429 176.870 0.012 0.000 1.189 121 L CA -0.437 54.410 54.840 0.013 0.000 0.846 121 L CB 0.458 42.523 42.059 0.010 0.000 1.111 121 L HN 0.178 nan 8.230 nan 0.000 0.475 122 R N 1.087 121.590 120.500 0.005 0.000 2.679 122 R HA -0.029 4.311 4.340 -0.000 0.000 0.268 122 R C -0.140 176.167 176.300 0.012 0.000 1.044 122 R CA -0.480 55.624 56.100 0.006 0.000 1.105 122 R CB 0.241 30.540 30.300 -0.003 0.000 0.989 122 R HN 0.527 nan 8.270 nan 0.000 0.447 123 D N 3.650 124.060 120.400 0.016 0.000 2.531 123 D HA -0.043 4.597 4.640 -0.000 0.000 0.239 123 D C -1.397 174.916 176.300 0.022 0.000 1.144 123 D CA -1.399 52.614 54.000 0.022 0.000 0.869 123 D CB 0.915 41.729 40.800 0.024 0.000 1.160 123 D HN 0.219 nan 8.370 nan 0.000 0.484 124 P HA -0.162 nan 4.420 nan 0.000 0.219 124 P C 0.747 178.071 177.300 0.039 0.000 1.146 124 P CA 1.065 64.183 63.100 0.030 0.000 0.808 124 P CB 0.194 31.919 31.700 0.041 0.000 0.779 125 E N -0.161 120.064 120.200 0.042 0.000 2.265 125 E HA -0.090 4.260 4.350 -0.000 0.000 0.196 125 E C 1.781 178.408 176.600 0.046 0.000 0.996 125 E CA 1.135 57.563 56.400 0.048 0.000 0.832 125 E CB -0.281 29.445 29.700 0.043 0.000 0.756 125 E HN 0.244 nan 8.360 nan 0.000 0.491 126 V N -2.660 117.273 119.914 0.033 0.000 3.608 126 V HA 0.014 4.134 4.120 -0.000 0.000 0.269 126 V C 1.872 177.975 176.094 0.015 0.000 1.245 126 V CA 0.258 62.575 62.300 0.028 0.000 1.138 126 V CB 0.203 32.038 31.823 0.019 0.000 0.841 126 V HN -0.021 nan 8.190 nan 0.000 0.451 127 V N 1.506 121.424 119.914 0.007 0.000 2.343 127 V HA -0.178 3.942 4.120 -0.000 0.000 0.247 127 V C 3.149 179.208 176.094 -0.058 0.000 1.051 127 V CA 2.369 64.644 62.300 -0.041 0.000 1.036 127 V CB -1.112 30.679 31.823 -0.053 0.000 0.654 127 V HN 0.668 nan 8.190 nan 0.000 0.451 128 A N 0.708 123.561 122.820 0.056 0.000 1.948 128 A HA -0.253 4.067 4.320 -0.000 0.000 0.220 128 A C 2.527 180.178 177.584 0.112 0.000 1.177 128 A CA 2.539 54.689 52.037 0.189 0.000 0.636 128 A CB -0.768 18.438 19.000 0.342 0.000 0.815 128 A HN 0.715 nan 8.150 nan 0.000 0.449 129 S N -0.808 114.943 115.700 0.085 0.000 2.428 129 S HA -0.082 4.388 4.470 -0.000 0.000 0.230 129 S C 1.476 176.065 174.600 -0.019 0.000 1.014 129 S CA 1.109 59.349 58.200 0.067 0.000 0.957 129 S CB -0.232 63.009 63.200 0.068 0.000 0.784 129 S HN 0.494 nan 8.310 nan 0.000 0.499 130 E N 1.358 121.522 120.200 -0.061 0.000 2.268 130 E HA 0.123 4.473 4.350 -0.000 0.000 0.195 130 E C 1.190 177.685 176.600 -0.175 0.000 0.995 130 E CA 0.562 56.916 56.400 -0.077 0.000 0.836 130 E CB -0.216 29.438 29.700 -0.076 0.000 0.763 130 E HN 0.606 nan 8.360 nan 0.000 0.491 131 L N -0.337 120.639 121.223 -0.411 0.000 2.872 131 L HA 0.260 4.600 4.340 -0.000 0.000 0.245 131 L C 1.836 178.059 176.870 -1.079 0.000 1.211 131 L CA -0.142 54.186 54.840 -0.853 0.000 1.013 131 L CB 0.373 41.864 42.059 -0.947 0.000 1.326 131 L HN 0.027 nan 8.230 nan 0.000 0.525 132 G N 0.897 109.345 108.800 -0.586 0.000 2.469 132 G HA2 -0.367 3.593 3.960 -0.000 0.000 0.220 132 G HA3 -0.367 3.593 3.960 -0.000 0.000 0.220 132 G C 1.362 176.144 174.900 -0.198 0.000 1.136 132 G CA 1.420 46.338 45.100 -0.303 0.000 0.759 132 G HN 0.611 nan 8.290 nan 0.000 0.562 133 Y N 0.461 120.676 120.300 -0.141 0.000 2.256 133 Y HA -0.043 4.507 4.550 -0.000 0.000 0.288 133 Y C 2.419 178.286 175.900 -0.055 0.000 1.155 133 Y CA 1.071 59.130 58.100 -0.069 0.000 1.203 133 Y CB -0.861 37.563 38.460 -0.060 0.000 0.980 133 Y HN 0.033 nan 8.280 nan 0.000 0.530 134 V N 0.704 120.290 119.914 -0.546 0.000 2.379 134 V HA -0.229 3.891 4.120 -0.000 0.000 0.245 134 V C 2.291 178.369 176.094 -0.025 0.000 1.044 134 V CA 1.887 64.020 62.300 -0.278 0.000 1.036 134 V CB -1.032 30.568 31.823 -0.372 0.000 0.664 134 V HN 0.504 nan 8.190 nan 0.000 0.453 135 F N 0.286 120.215 119.950 -0.035 0.000 2.126 135 F HA -0.260 4.267 4.527 -0.000 0.000 0.299 135 F C 2.742 178.564 175.800 0.036 0.000 1.096 135 F CA 1.431 59.432 58.000 0.003 0.000 1.255 135 F CB -0.443 38.566 39.000 0.016 0.000 0.997 135 F HN 0.157 nan 8.300 nan 0.000 0.479 136 Q N 0.591 120.519 119.800 0.213 0.000 2.050 136 Q HA -0.197 4.142 4.340 -0.000 0.000 0.202 136 Q C 2.591 178.675 176.000 0.140 0.000 0.980 136 Q CA 1.411 57.312 55.803 0.164 0.000 0.840 136 Q CB -0.469 28.353 28.738 0.139 0.000 0.898 136 Q HN 0.468 nan 8.270 nan 0.000 0.424 137 A N 1.012 123.911 122.820 0.133 0.000 1.908 137 A HA -0.205 4.115 4.320 -0.000 0.000 0.218 137 A C 2.060 179.706 177.584 0.104 0.000 1.181 137 A CA 1.344 53.453 52.037 0.121 0.000 0.627 137 A CB -0.706 18.377 19.000 0.139 0.000 0.818 137 A HN 0.315 nan 8.150 nan 0.000 0.445 138 I N -0.657 119.975 120.570 0.103 0.000 2.179 138 I HA -0.232 3.938 4.170 -0.000 0.000 0.242 138 I C 2.649 178.785 176.117 0.032 0.000 1.088 138 I CA 1.798 63.133 61.300 0.057 0.000 1.357 138 I CB -0.659 37.373 38.000 0.053 0.000 1.051 138 I HN 0.265 nan 8.210 nan 0.000 0.409 139 T N 1.233 115.848 114.554 0.101 0.000 2.684 139 T HA -0.199 4.151 4.350 -0.000 0.000 0.267 139 T C 1.860 176.665 174.700 0.175 0.000 1.036 139 T CA 1.482 63.691 62.100 0.182 0.000 1.148 139 T CB -0.397 68.624 68.868 0.254 0.000 0.863 139 T HN 0.180 nan 8.240 nan 0.000 0.436 140 L N 1.099 122.400 121.223 0.131 0.000 2.012 140 L HA -0.095 4.245 4.340 -0.000 0.000 0.210 140 L C 2.471 179.390 176.870 0.081 0.000 1.073 140 L CA 1.935 56.839 54.840 0.106 0.000 0.748 140 L CB -1.272 40.838 42.059 0.085 0.000 0.891 140 L HN 0.194 nan 8.230 nan 0.000 0.431 141 T N -0.787 113.803 114.554 0.060 0.000 2.777 141 T HA -0.197 4.153 4.350 -0.000 0.000 0.266 141 T C 1.970 176.673 174.700 0.004 0.000 1.040 141 T CA 1.519 63.641 62.100 0.036 0.000 1.141 141 T CB -0.238 68.654 68.868 0.040 0.000 0.868 141 T HN 0.277 nan 8.240 nan 0.000 0.444 142 R N 1.318 121.791 120.500 -0.045 0.000 2.081 142 R HA -0.067 4.273 4.340 -0.000 0.000 0.235 142 R C 2.389 178.694 176.300 0.007 0.000 1.131 142 R CA 1.617 57.631 56.100 -0.142 0.000 0.960 142 R CB -0.410 29.587 30.300 -0.506 0.000 0.856 142 R HN 0.455 nan 8.270 nan 0.000 0.436 143 Q N -0.449 119.433 119.800 0.137 0.000 2.030 143 Q HA -0.134 4.206 4.340 -0.000 0.000 0.204 143 Q C 2.158 178.217 176.000 0.098 0.000 0.986 143 Q CA 1.663 57.578 55.803 0.187 0.000 0.843 143 Q CB -0.118 28.732 28.738 0.187 0.000 0.904 143 Q HN 0.226 nan 8.270 nan 0.000 0.420 144 R N 0.391 120.932 120.500 0.068 0.000 2.115 144 R HA -0.032 4.308 4.340 -0.000 0.000 0.230 144 R C 2.252 178.572 176.300 0.033 0.000 1.111 144 R CA 0.757 56.883 56.100 0.045 0.000 0.976 144 R CB -0.487 29.834 30.300 0.036 0.000 0.870 144 R HN 0.326 nan 8.270 nan 0.000 0.445 145 L N 0.588 121.826 121.223 0.026 0.000 2.191 145 L HA -0.064 4.276 4.340 -0.000 0.000 0.212 145 L C 1.049 177.933 176.870 0.023 0.000 1.103 145 L CA 0.915 55.765 54.840 0.016 0.000 0.769 145 L CB -0.392 41.665 42.059 -0.004 0.000 0.908 145 L HN 0.234 nan 8.230 nan 0.000 0.438 146 A N -0.031 122.812 122.820 0.038 0.000 2.822 146 A HA -0.158 4.162 4.320 -0.000 0.000 0.287 146 A C 1.323 178.932 177.584 0.042 0.000 1.479 146 A CA 0.827 52.893 52.037 0.048 0.000 0.779 146 A CB -2.058 16.966 19.000 0.040 0.000 1.022 146 A HN 0.993 nan 8.150 nan 0.000 0.532 147 G N -1.619 107.203 108.800 0.036 0.000 2.159 147 G HA2 -0.386 3.574 3.960 -0.000 0.000 0.256 147 G HA3 -0.386 3.574 3.960 -0.000 0.000 0.256 147 G C 0.882 175.799 174.900 0.028 0.000 0.977 147 G CA 1.395 46.516 45.100 0.034 0.000 0.652 147 G HN 1.401 nan 8.290 nan 0.000 0.531 148 R N 0.184 120.698 120.500 0.023 0.000 2.082 148 R HA 0.135 4.475 4.340 -0.000 0.000 0.234 148 R C 1.306 177.624 176.300 0.030 0.000 1.136 148 R CA 2.505 58.620 56.100 0.026 0.000 0.935 148 R CB -0.212 30.102 30.300 0.023 0.000 0.842 148 R HN 1.098 nan 8.270 nan 0.000 0.430 149 V N -3.530 116.392 119.914 0.013 0.000 3.188 149 V HA 0.546 4.666 4.120 -0.000 0.000 0.305 149 V C -2.831 173.243 176.094 -0.033 0.000 1.232 149 V CA -2.817 59.486 62.300 0.004 0.000 1.043 149 V CB 1.759 33.577 31.823 -0.010 0.000 1.068 149 V HN 0.017 nan 8.190 nan 0.000 0.439 150 P HA 0.363 nan 4.420 nan 0.000 0.269 150 P C -0.965 176.229 177.300 -0.178 0.000 1.215 150 P CA -0.115 62.944 63.100 -0.068 0.000 0.780 150 P CB 0.513 32.233 31.700 0.034 0.000 0.898 151 L N 3.303 124.434 121.223 -0.154 0.000 2.287 151 L HA 0.421 4.761 4.340 -0.000 0.000 0.287 151 L C -0.695 176.070 176.870 -0.176 0.000 1.022 151 L CA -0.394 54.344 54.840 -0.170 0.000 0.814 151 L CB 0.083 42.065 42.059 -0.129 0.000 1.217 151 L HN 0.213 nan 8.230 nan 0.000 0.420 152 I N 5.083 125.504 120.570 -0.249 0.000 2.342 152 I HA 0.461 4.631 4.170 -0.000 0.000 0.291 152 I C 0.979 177.090 176.117 -0.010 0.000 1.010 152 I CA -0.197 60.987 61.300 -0.195 0.000 1.308 152 I CB 1.215 38.937 38.000 -0.464 0.000 1.400 152 I HN 0.746 nan 8.210 nan 0.000 0.488 153 G N 5.345 114.163 108.800 0.030 0.000 2.511 153 G HA2 0.769 4.729 3.960 -0.000 0.000 0.316 153 G HA3 0.769 4.729 3.960 -0.000 0.000 0.316 153 G C -1.023 174.009 174.900 0.220 0.000 1.210 153 G CA -0.352 44.787 45.100 0.065 0.000 0.969 153 G HN 0.630 nan 8.290 nan 0.000 0.492 154 F N -2.533 117.446 119.950 0.048 0.000 2.773 154 F HA 0.835 5.361 4.527 -0.000 0.000 0.314 154 F C -0.555 175.360 175.800 0.192 0.000 1.160 154 F CA -1.116 56.990 58.000 0.176 0.000 0.920 154 F CB 1.187 40.432 39.000 0.409 0.000 1.323 154 F HN 1.039 nan 8.300 nan 0.000 0.457 155 A N 0.460 123.572 122.820 0.487 0.000 2.610 155 A HA 0.782 5.102 4.320 -0.000 0.000 0.291 155 A C -0.695 177.216 177.584 0.545 0.000 1.086 155 A CA -0.500 51.785 52.037 0.414 0.000 0.677 155 A CB 0.880 20.058 19.000 0.297 0.000 1.278 155 A HN 1.859 nan 8.150 nan 0.000 0.414 156 G N -0.108 108.948 108.800 0.428 0.000 2.467 156 G HA2 0.654 4.614 3.960 -0.000 0.000 0.257 156 G HA3 0.654 4.614 3.960 -0.000 0.000 0.257 156 G C 0.371 175.451 174.900 0.301 0.000 1.227 156 G CA 0.390 45.714 45.100 0.374 0.000 0.835 156 G HN 1.747 nan 8.290 nan 0.000 0.556 157 A N 3.039 126.030 122.820 0.286 0.000 2.351 157 A HA 0.569 4.889 4.320 -0.000 0.000 0.257 157 A C -0.860 176.846 177.584 0.203 0.000 1.087 157 A CA -0.999 51.185 52.037 0.245 0.000 0.798 157 A CB 0.681 19.828 19.000 0.245 0.000 1.033 157 A HN 0.454 nan 8.150 nan 0.000 0.488 158 P HA -0.213 nan 4.420 nan 0.000 0.215 158 P C 1.586 178.953 177.300 0.111 0.000 1.163 158 P CA 1.847 65.012 63.100 0.108 0.000 0.894 158 P CB -0.202 31.537 31.700 0.065 0.000 0.791 159 W N 0.155 121.460 121.300 0.009 0.000 2.335 159 W HA -0.202 4.458 4.660 -0.000 0.000 0.311 159 W C 1.522 178.066 176.519 0.042 0.000 1.213 159 W CA 2.010 59.351 57.345 -0.006 0.000 1.274 159 W CB -1.238 28.232 29.460 0.017 0.000 1.148 159 W HN -0.062 nan 8.180 nan 0.000 0.498 160 T N 2.339 116.827 114.554 -0.110 0.000 2.720 160 T HA -0.208 4.142 4.350 -0.000 0.000 0.268 160 T C 1.974 176.641 174.700 -0.054 0.000 1.037 160 T CA 1.989 63.988 62.100 -0.168 0.000 1.144 160 T CB -0.566 68.361 68.868 0.099 0.000 0.864 160 T HN 0.160 nan 8.240 nan 0.000 0.444 161 L N 0.465 121.699 121.223 0.018 0.000 2.093 161 L HA -0.042 4.298 4.340 -0.000 0.000 0.208 161 L C 2.637 179.431 176.870 -0.126 0.000 1.085 161 L CA 1.211 56.077 54.840 0.044 0.000 0.755 161 L CB -0.533 41.555 42.059 0.048 0.000 0.904 161 L HN 0.349 nan 8.230 nan 0.000 0.435 162 M N 0.177 119.628 119.600 -0.248 0.000 2.108 162 M HA -0.238 4.242 4.480 -0.000 0.000 0.261 162 M C 2.397 178.349 176.300 -0.579 0.000 1.066 162 M CA 2.517 57.576 55.300 -0.401 0.000 1.107 162 M CB -0.318 32.080 32.600 -0.338 0.000 1.356 162 M HN 0.384 nan 8.290 nan 0.000 0.406 163 T N -1.599 112.504 114.554 -0.752 0.000 2.720 163 T HA -0.219 4.131 4.350 -0.000 0.000 0.268 163 T C 1.514 175.813 174.700 -0.669 0.000 1.037 163 T CA 1.708 63.310 62.100 -0.830 0.000 1.144 163 T CB -1.233 67.023 68.868 -1.019 0.000 0.864 163 T HN 0.614 nan 8.240 nan 0.000 0.444 164 Y N 1.220 121.253 120.300 -0.445 0.000 2.293 164 Y HA 0.151 4.701 4.550 -0.000 0.000 0.291 164 Y C 2.719 178.008 175.900 -1.019 0.000 1.137 164 Y CA 1.079 58.864 58.100 -0.524 0.000 1.202 164 Y CB -0.480 37.811 38.460 -0.282 0.000 0.990 164 Y HN 0.192 nan 8.280 nan 0.000 0.537 165 M N -1.727 117.451 119.600 -0.704 0.000 2.419 165 M HA -0.101 4.379 4.480 -0.000 0.000 0.264 165 M C 1.465 177.427 176.300 -0.562 0.000 1.082 165 M CA 0.821 55.672 55.300 -0.748 0.000 1.119 165 M CB 0.100 32.415 32.600 -0.476 0.000 1.398 165 M HN 0.060 nan 8.290 nan 0.000 0.453 166 V N -1.368 118.216 119.914 -0.551 0.000 3.523 166 V HA 0.097 4.217 4.120 -0.000 0.000 0.255 166 V C 0.767 176.691 176.094 -0.282 0.000 1.226 166 V CA 0.464 62.481 62.300 -0.473 0.000 1.092 166 V CB 0.200 31.539 31.823 -0.806 0.000 0.817 166 V HN 0.200 nan 8.190 nan 0.000 0.458 167 E N 1.212 121.219 120.200 -0.322 0.000 2.277 167 E HA 0.259 4.609 4.350 -0.000 0.000 0.274 167 E C 0.213 176.735 176.600 -0.131 0.000 1.022 167 E CA -0.438 55.828 56.400 -0.223 0.000 0.853 167 E CB 1.038 30.552 29.700 -0.310 0.000 1.086 167 E HN 0.424 nan 8.360 nan 0.000 0.397 168 R N 0.659 121.120 120.500 -0.066 0.000 4.031 168 R HA 0.402 4.742 4.340 -0.000 0.000 0.269 168 R C 0.471 176.768 176.300 -0.005 0.000 1.668 168 R CA -0.096 55.997 56.100 -0.011 0.000 1.432 168 R CB -0.535 29.771 30.300 0.011 0.000 1.374 168 R HN 0.555 nan 8.270 nan 0.000 0.681 169 G N -0.055 108.730 108.800 -0.026 0.000 2.850 169 G HA2 0.131 4.091 3.960 -0.000 0.000 0.686 169 G HA3 0.131 4.091 3.960 -0.000 0.000 0.686 169 G C 0.513 175.403 174.900 -0.016 0.000 1.164 169 G CA -0.307 44.796 45.100 0.006 0.000 0.826 169 G HN 1.028 nan 8.290 nan 0.000 0.586 170 G N -0.313 108.477 108.800 -0.017 0.000 2.272 170 G HA2 0.126 4.086 3.960 -0.000 0.000 0.280 170 G HA3 0.126 4.086 3.960 -0.000 0.000 0.280 170 G C 0.562 175.440 174.900 -0.037 0.000 1.067 170 G CA 1.318 46.411 45.100 -0.010 0.000 0.902 170 G HN 2.225 nan 8.290 nan 0.000 0.500 171 S N -0.507 115.135 115.700 -0.098 0.000 2.480 171 S HA 0.632 5.102 4.470 -0.000 0.000 0.286 171 S C 1.511 176.068 174.600 -0.070 0.000 1.180 171 S CA 0.554 58.695 58.200 -0.099 0.000 1.075 171 S CB 1.125 64.227 63.200 -0.163 0.000 0.996 171 S HN 1.402 nan 8.310 nan 0.000 0.487 172 S N 2.594 118.297 115.700 0.005 0.000 2.593 172 S HA 0.033 4.503 4.470 -0.000 0.000 0.217 172 S C 1.171 175.861 174.600 0.149 0.000 0.966 172 S CA 0.595 58.846 58.200 0.085 0.000 0.914 172 S CB -0.303 62.940 63.200 0.071 0.000 0.776 172 S HN 0.856 nan 8.310 nan 0.000 0.523 173 T N -2.925 111.669 114.554 0.067 0.000 2.966 173 T HA 0.297 4.647 4.350 -0.000 0.000 0.254 173 T C 0.662 175.371 174.700 0.015 0.000 0.961 173 T CA -0.049 62.120 62.100 0.115 0.000 0.915 173 T CB -0.207 68.698 68.868 0.062 0.000 1.186 173 T HN 0.155 nan 8.240 nan 0.000 0.505 174 M N 1.087 120.550 119.600 -0.228 0.000 2.253 174 M HA -0.211 4.268 4.480 -0.000 0.000 0.199 174 M C 1.368 177.631 176.300 -0.062 0.000 0.342 174 M CA 0.686 55.812 55.300 -0.290 0.000 0.417 174 M CB -2.531 29.784 32.600 -0.475 0.000 1.338 174 M HN 0.625 nan 8.290 nan 0.000 0.920 175 A N -0.362 122.446 122.820 -0.021 0.000 1.933 175 A HA -0.187 4.133 4.320 -0.000 0.000 0.218 175 A C 2.042 179.663 177.584 0.063 0.000 1.175 175 A CA 1.921 53.982 52.037 0.040 0.000 0.628 175 A CB -0.202 18.815 19.000 0.028 0.000 0.814 175 A HN 0.750 nan 8.150 nan 0.000 0.444 176 Q N -0.575 119.244 119.800 0.032 0.000 2.046 176 Q HA -0.036 4.304 4.340 -0.000 0.000 0.200 176 Q C 2.447 178.552 176.000 0.175 0.000 0.975 176 Q CA 1.305 57.163 55.803 0.092 0.000 0.836 176 Q CB -0.396 28.369 28.738 0.045 0.000 0.896 176 Q HN 0.652 nan 8.270 nan 0.000 0.428 177 A N 1.675 124.510 122.820 0.025 0.000 1.902 177 A HA -0.208 4.112 4.320 -0.000 0.000 0.217 177 A C 1.925 179.649 177.584 0.233 0.000 1.181 177 A CA 1.536 53.571 52.037 -0.003 0.000 0.623 177 A CB -0.277 18.560 19.000 -0.273 0.000 0.818 177 A HN 0.174 nan 8.150 nan 0.000 0.443 178 K N -0.963 119.575 120.400 0.230 0.000 2.155 178 K HA -0.065 4.255 4.320 -0.000 0.000 0.203 178 K C 2.295 179.008 176.600 0.190 0.000 1.052 178 K CA 1.131 57.520 56.287 0.170 0.000 0.948 178 K CB -0.112 32.503 32.500 0.192 0.000 0.728 178 K HN 0.447 nan 8.250 nan 0.000 0.448 179 R N 0.141 120.768 120.500 0.212 0.000 2.096 179 R HA -0.163 4.177 4.340 -0.000 0.000 0.235 179 R C 1.642 178.029 176.300 0.144 0.000 1.127 179 R CA 1.461 57.670 56.100 0.183 0.000 0.968 179 R CB -0.162 30.205 30.300 0.111 0.000 0.861 179 R HN 0.227 nan 8.270 nan 0.000 0.440 180 W N 1.004 122.279 121.300 -0.040 0.000 2.318 180 W HA -0.198 4.461 4.660 -0.000 0.000 0.313 180 W C 1.959 178.358 176.519 -0.201 0.000 1.221 180 W CA 1.367 58.657 57.345 -0.091 0.000 1.266 180 W CB -0.508 28.895 29.460 -0.095 0.000 1.150 180 W HN 0.087 nan 8.180 nan 0.000 0.496 181 L N -1.790 119.352 121.223 -0.135 0.000 2.042 181 L HA -0.264 4.076 4.340 -0.000 0.000 0.210 181 L C 2.129 178.732 176.870 -0.446 0.000 1.076 181 L CA 1.557 55.968 54.840 -0.716 0.000 0.749 181 L CB -1.215 40.151 42.059 -1.154 0.000 0.893 181 L HN 0.086 nan 8.230 nan 0.000 0.432 182 Y N -0.356 119.874 120.300 -0.118 0.000 2.243 182 Y HA -0.129 4.420 4.550 -0.000 0.000 0.293 182 Y C 2.784 178.674 175.900 -0.017 0.000 1.124 182 Y CA 0.829 58.911 58.100 -0.031 0.000 1.159 182 Y CB 0.073 38.518 38.460 -0.024 0.000 1.008 182 Y HN 0.163 nan 8.280 nan 0.000 0.527 183 Q N -0.270 119.595 119.800 0.109 0.000 2.339 183 Q HA 0.084 4.424 4.340 -0.000 0.000 0.205 183 Q C 0.519 176.494 176.000 -0.042 0.000 0.925 183 Q CA 0.621 56.433 55.803 0.015 0.000 0.898 183 Q CB 0.371 29.084 28.738 -0.042 0.000 1.013 183 Q HN 0.325 nan 8.270 nan 0.000 0.504 184 R N 0.673 121.134 120.500 -0.066 0.000 2.881 184 R HA 0.171 4.511 4.340 -0.000 0.000 0.331 184 R C -2.039 174.289 176.300 0.047 0.000 1.207 184 R CA -1.167 54.884 56.100 -0.082 0.000 1.265 184 R CB 0.805 30.920 30.300 -0.308 0.000 1.351 184 R HN 0.068 nan 8.270 nan 0.000 0.613 185 P HA -0.192 nan 4.420 nan 0.000 0.217 185 P C 0.827 178.320 177.300 0.321 0.000 1.150 185 P CA 1.320 64.567 63.100 0.244 0.000 0.832 185 P CB 0.442 32.345 31.700 0.339 0.000 0.787 186 Q N -0.129 119.822 119.800 0.251 0.000 2.046 186 Q HA -0.047 4.292 4.340 -0.000 0.000 0.200 186 Q C 2.470 178.616 176.000 0.244 0.000 0.975 186 Q CA 1.679 57.637 55.803 0.258 0.000 0.836 186 Q CB -0.768 28.067 28.738 0.161 0.000 0.896 186 Q HN 0.166 nan 8.270 nan 0.000 0.428 187 A N 0.484 123.419 122.820 0.191 0.000 1.933 187 A HA -0.186 4.134 4.320 -0.000 0.000 0.218 187 A C 2.231 180.012 177.584 0.328 0.000 1.175 187 A CA 1.698 53.876 52.037 0.235 0.000 0.628 187 A CB -0.488 18.616 19.000 0.174 0.000 0.814 187 A HN 0.249 nan 8.150 nan 0.000 0.444 188 S N -0.839 115.051 115.700 0.317 0.000 2.345 188 S HA -0.145 4.325 4.470 -0.000 0.000 0.220 188 S C 1.921 176.617 174.600 0.161 0.000 1.031 188 S CA 1.155 59.486 58.200 0.219 0.000 0.996 188 S CB -0.590 62.625 63.200 0.025 0.000 0.882 188 S HN 0.705 nan 8.310 nan 0.000 0.445 189 H N 1.349 120.611 119.070 0.321 0.000 2.352 189 H HA -0.102 4.454 4.556 -0.000 0.000 0.299 189 H C 2.395 177.809 175.328 0.144 0.000 1.097 189 H CA 1.678 57.891 56.048 0.274 0.000 1.311 189 H CB -0.490 29.446 29.762 0.290 0.000 1.377 189 H HN 0.503 nan 8.280 nan 0.000 0.504 190 Q N 0.236 120.190 119.800 0.256 0.000 2.050 190 Q HA -0.147 4.193 4.340 -0.000 0.000 0.202 190 Q C 2.381 178.434 176.000 0.087 0.000 0.980 190 Q CA 1.354 57.254 55.803 0.163 0.000 0.840 190 Q CB -0.112 28.718 28.738 0.154 0.000 0.898 190 Q HN 0.263 nan 8.270 nan 0.000 0.424 191 L N 0.639 121.902 121.223 0.065 0.000 2.046 191 L HA -0.160 4.180 4.340 -0.000 0.000 0.208 191 L C 2.034 178.842 176.870 -0.102 0.000 1.077 191 L CA 1.630 56.453 54.840 -0.028 0.000 0.747 191 L CB -0.500 41.501 42.059 -0.098 0.000 0.896 191 L HN 0.318 nan 8.230 nan 0.000 0.432 192 L N -1.048 120.068 121.223 -0.179 0.000 2.141 192 L HA -0.156 4.184 4.340 -0.000 0.000 0.209 192 L C 2.700 179.287 176.870 -0.471 0.000 1.094 192 L CA 1.024 55.584 54.840 -0.467 0.000 0.763 192 L CB -0.484 41.043 42.059 -0.887 0.000 0.908 192 L HN 0.251 nan 8.230 nan 0.000 0.437 193 R N 0.950 121.339 120.500 -0.184 0.000 2.066 193 R HA -0.092 4.248 4.340 -0.000 0.000 0.232 193 R C 2.088 178.419 176.300 0.051 0.000 1.131 193 R CA 1.543 57.684 56.100 0.068 0.000 0.955 193 R CB -0.599 29.808 30.300 0.179 0.000 0.851 193 R HN 0.208 nan 8.270 nan 0.000 0.432 194 I N 0.305 120.889 120.570 0.023 0.000 2.151 194 I HA -0.347 3.823 4.170 -0.000 0.000 0.243 194 I C 2.115 178.244 176.117 0.019 0.000 1.080 194 I CA 1.503 62.817 61.300 0.025 0.000 1.339 194 I CB -0.308 37.699 38.000 0.012 0.000 1.039 194 I HN 0.180 nan 8.210 nan 0.000 0.409 195 L N -0.183 121.032 121.223 -0.012 0.000 2.046 195 L HA -0.230 4.109 4.340 -0.000 0.000 0.208 195 L C 2.632 179.538 176.870 0.060 0.000 1.077 195 L CA 1.669 56.513 54.840 0.006 0.000 0.747 195 L CB -0.825 41.217 42.059 -0.027 0.000 0.896 195 L HN 0.263 nan 8.230 nan 0.000 0.432 196 T N -0.980 113.618 114.554 0.073 0.000 2.708 196 T HA -0.189 4.161 4.350 -0.000 0.000 0.266 196 T C 1.409 176.188 174.700 0.132 0.000 1.037 196 T CA 1.592 63.780 62.100 0.146 0.000 1.146 196 T CB -0.251 68.761 68.868 0.240 0.000 0.865 196 T HN 0.314 nan 8.240 nan 0.000 0.435 197 D N 0.991 121.456 120.400 0.109 0.000 2.264 197 D HA 0.073 4.713 4.640 -0.000 0.000 0.208 197 D C 2.153 178.507 176.300 0.091 0.000 0.966 197 D CA 0.837 54.894 54.000 0.096 0.000 0.864 197 D CB -0.255 40.593 40.800 0.081 0.000 0.933 197 D HN 0.428 nan 8.370 nan 0.000 0.499 198 A N 0.232 123.103 122.820 0.084 0.000 1.903 198 A HA 0.016 4.336 4.320 -0.000 0.000 0.213 198 A C 2.286 179.954 177.584 0.139 0.000 1.185 198 A CA 0.403 52.489 52.037 0.081 0.000 0.628 198 A CB -0.535 18.487 19.000 0.037 0.000 0.830 198 A HN 0.148 nan 8.150 nan 0.000 0.446 199 L N -0.429 120.890 121.223 0.161 0.000 2.027 199 L HA -0.154 4.186 4.340 -0.000 0.000 0.206 199 L C 2.541 179.538 176.870 0.212 0.000 1.074 199 L CA 1.017 55.996 54.840 0.232 0.000 0.745 199 L CB -0.611 41.574 42.059 0.210 0.000 0.898 199 L HN 0.231 nan 8.230 nan 0.000 0.433 200 V N 0.499 120.508 119.914 0.158 0.000 2.219 200 V HA -0.212 3.908 4.120 -0.000 0.000 0.248 200 V C -0.197 175.968 176.094 0.118 0.000 1.053 200 V CA 2.405 64.778 62.300 0.120 0.000 1.009 200 V CB -1.875 30.006 31.823 0.098 0.000 0.636 200 V HN 0.373 nan 8.190 nan 0.000 0.445 201 P HA -0.196 nan 4.420 nan 0.000 0.218 201 P C 1.536 178.970 177.300 0.224 0.000 1.149 201 P CA 1.619 64.800 63.100 0.136 0.000 0.817 201 P CB -0.180 31.598 31.700 0.129 0.000 0.785 202 Y N 1.278 121.660 120.300 0.138 0.000 2.114 202 Y HA -0.152 4.397 4.550 -0.000 0.000 0.284 202 Y C 2.317 178.332 175.900 0.191 0.000 1.143 202 Y CA 1.262 59.492 58.100 0.216 0.000 1.135 202 Y CB -1.365 37.159 38.460 0.107 0.000 0.980 202 Y HN -0.240 nan 8.280 nan 0.000 0.499 203 L N -1.170 120.040 121.223 -0.022 0.000 2.046 203 L HA -0.226 4.113 4.340 -0.000 0.000 0.208 203 L C 2.450 179.260 176.870 -0.101 0.000 1.077 203 L CA 1.237 55.990 54.840 -0.145 0.000 0.747 203 L CB -0.876 41.162 42.059 -0.035 0.000 0.896 203 L HN 0.072 nan 8.230 nan 0.000 0.432 204 V N 0.322 120.209 119.914 -0.044 0.000 2.287 204 V HA -0.274 3.845 4.120 -0.000 0.000 0.248 204 V C 2.642 178.633 176.094 -0.172 0.000 1.053 204 V CA 2.146 64.402 62.300 -0.072 0.000 1.027 204 V CB -1.425 30.377 31.823 -0.034 0.000 0.646 204 V HN 0.600 nan 8.190 nan 0.000 0.447 205 G N -1.314 107.336 108.800 -0.251 0.000 2.442 205 G HA2 -0.292 3.668 3.960 -0.000 0.000 0.219 205 G HA3 -0.292 3.668 3.960 -0.000 0.000 0.219 205 G C 1.490 175.944 174.900 -0.744 0.000 1.141 205 G CA 0.878 45.515 45.100 -0.772 0.000 0.763 205 G HN 0.559 nan 8.290 nan 0.000 0.554 206 Q N -0.325 119.297 119.800 -0.296 0.000 2.084 206 Q HA -0.079 4.261 4.340 -0.000 0.000 0.202 206 Q C 2.873 178.784 176.000 -0.148 0.000 0.978 206 Q CA 1.451 57.170 55.803 -0.140 0.000 0.844 206 Q CB -0.226 28.398 28.738 -0.190 0.000 0.898 206 Q HN 0.434 nan 8.270 nan 0.000 0.426 207 V N 0.088 119.914 119.914 -0.146 0.000 2.379 207 V HA -0.201 3.919 4.120 -0.000 0.000 0.245 207 V C 2.278 178.320 176.094 -0.087 0.000 1.044 207 V CA 1.219 63.461 62.300 -0.097 0.000 1.036 207 V CB -0.443 31.342 31.823 -0.063 0.000 0.664 207 V HN 0.166 nan 8.190 nan 0.000 0.453 208 V N 0.687 120.523 119.914 -0.131 0.000 2.324 208 V HA -0.311 3.809 4.120 -0.000 0.000 0.250 208 V C 2.632 178.704 176.094 -0.036 0.000 1.060 208 V CA 2.245 64.485 62.300 -0.100 0.000 1.042 208 V CB -1.120 30.595 31.823 -0.179 0.000 0.650 208 V HN 0.579 nan 8.190 nan 0.000 0.450 209 A N -1.223 121.533 122.820 -0.106 0.000 2.168 209 A HA 0.326 4.646 4.320 -0.000 0.000 0.215 209 A C 1.950 179.550 177.584 0.026 0.000 1.152 209 A CA 1.506 53.553 52.037 0.017 0.000 0.716 209 A CB -0.224 18.788 19.000 0.020 0.000 0.794 209 A HN 1.103 nan 8.150 nan 0.000 0.465 210 G N -2.766 105.968 108.800 -0.109 0.000 2.425 210 G HA2 0.253 4.213 3.960 -0.000 0.000 0.177 210 G HA3 0.253 4.213 3.960 -0.000 0.000 0.177 210 G C 0.378 175.104 174.900 -0.291 0.000 0.999 210 G CA -0.030 44.831 45.100 -0.398 0.000 0.723 210 G HN 1.350 nan 8.290 nan 0.000 0.491 211 A N 0.267 122.991 122.820 -0.159 0.000 2.540 211 A HA 0.561 4.881 4.320 -0.000 0.000 0.239 211 A C 1.008 178.540 177.584 -0.086 0.000 1.061 211 A CA 1.212 53.181 52.037 -0.114 0.000 0.758 211 A CB 0.251 19.201 19.000 -0.082 0.000 0.991 211 A HN 0.465 nan 8.150 nan 0.000 0.502 212 Q N 0.222 119.983 119.800 -0.065 0.000 2.247 212 Q HA 0.451 4.790 4.340 -0.000 0.000 0.211 212 Q C 0.096 176.118 176.000 0.036 0.000 0.861 212 Q CA 0.674 56.472 55.803 -0.007 0.000 0.949 212 Q CB 0.613 29.349 28.738 -0.003 0.000 1.115 212 Q HN 0.935 nan 8.270 nan 0.000 0.507 213 A N 0.438 123.268 122.820 0.016 0.000 2.608 213 A HA 0.671 4.991 4.320 -0.000 0.000 0.292 213 A C -1.952 175.642 177.584 0.016 0.000 1.066 213 A CA -0.658 51.397 52.037 0.029 0.000 0.676 213 A CB 1.076 20.176 19.000 0.168 0.000 1.277 213 A HN 0.144 nan 8.150 nan 0.000 0.413 214 L N 0.919 122.158 121.223 0.027 0.000 2.385 214 L HA 0.654 4.994 4.340 -0.000 0.000 0.273 214 L C -0.274 176.661 176.870 0.108 0.000 0.990 214 L CA -0.415 54.464 54.840 0.064 0.000 0.821 214 L CB 2.241 44.328 42.059 0.048 0.000 1.279 214 L HN 0.878 nan 8.230 nan 0.000 0.412 215 Q N 2.635 122.522 119.800 0.146 0.000 2.331 215 Q HA 0.544 4.884 4.340 -0.000 0.000 0.267 215 Q C -1.619 174.439 176.000 0.096 0.000 1.006 215 Q CA -0.788 55.053 55.803 0.064 0.000 0.818 215 Q CB 2.243 30.939 28.738 -0.070 0.000 1.276 215 Q HN 0.515 nan 8.270 nan 0.000 0.450 216 L N 4.643 125.907 121.223 0.068 0.000 2.272 216 L HA 0.458 4.798 4.340 -0.000 0.000 0.289 216 L C -1.505 175.398 176.870 0.054 0.000 1.032 216 L CA 0.042 54.975 54.840 0.156 0.000 0.810 216 L CB 0.620 42.806 42.059 0.211 0.000 1.205 216 L HN 0.629 nan 8.230 nan 0.000 0.422 217 F N 3.468 123.594 119.950 0.293 0.000 2.368 217 F HA 0.253 4.780 4.527 -0.000 0.000 0.362 217 F C 0.718 176.644 175.800 0.210 0.000 1.137 217 F CA -0.366 57.814 58.000 0.300 0.000 1.161 217 F CB 0.707 39.892 39.000 0.307 0.000 1.265 217 F HN 0.480 nan 8.300 nan 0.000 0.530 218 E N 1.547 121.908 120.200 0.269 0.000 2.122 218 E HA 0.155 4.504 4.350 -0.000 0.000 0.288 218 E C 0.723 177.407 176.600 0.140 0.000 1.260 218 E CA 0.005 56.542 56.400 0.228 0.000 1.344 218 E CB -0.023 29.818 29.700 0.235 0.000 1.337 218 E HN 0.471 nan 8.360 nan 0.000 0.484 219 S N 0.736 116.521 115.700 0.141 0.000 2.447 219 S HA -0.115 4.355 4.470 -0.000 0.000 0.233 219 S C 0.562 175.142 174.600 -0.034 0.000 1.006 219 S CA 0.861 59.061 58.200 0.001 0.000 0.957 219 S CB -0.254 62.939 63.200 -0.013 0.000 0.773 219 S HN 0.622 nan 8.310 nan 0.000 0.507 220 H N -0.104 119.119 119.070 0.255 0.000 2.488 220 H HA 0.484 5.039 4.556 -0.000 0.000 0.294 220 H C 1.634 177.371 175.328 0.682 0.000 1.088 220 H CA 0.017 56.307 56.048 0.403 0.000 1.086 220 H CB 0.192 30.050 29.762 0.159 0.000 1.569 220 H HN 0.349 nan 8.280 nan 0.000 0.548 221 A N 0.526 123.686 122.820 0.567 0.000 1.933 221 A HA -0.126 4.194 4.320 -0.000 0.000 0.218 221 A C 2.549 180.419 177.584 0.477 0.000 1.175 221 A CA 1.557 53.939 52.037 0.576 0.000 0.628 221 A CB -0.869 18.309 19.000 0.297 0.000 0.814 221 A HN 0.559 nan 8.150 nan 0.000 0.444 222 G N -1.616 107.339 108.800 0.259 0.000 2.559 222 G HA2 -0.137 3.823 3.960 -0.000 0.000 0.216 222 G HA3 -0.137 3.823 3.960 -0.000 0.000 0.216 222 G C 1.142 176.081 174.900 0.064 0.000 1.126 222 G CA 1.061 46.255 45.100 0.157 0.000 0.778 222 G HN 0.763 nan 8.290 nan 0.000 0.543 223 H N -0.361 118.880 119.070 0.283 0.000 2.495 223 H HA 0.167 4.723 4.556 -0.000 0.000 0.287 223 H C 2.407 177.802 175.328 0.110 0.000 1.033 223 H CA 0.655 56.832 56.048 0.214 0.000 1.307 223 H CB 0.098 30.045 29.762 0.309 0.000 1.401 223 H HN 0.295 nan 8.280 nan 0.000 0.555 224 L N -0.830 120.502 121.223 0.181 0.000 2.084 224 L HA 0.164 4.504 4.340 -0.000 0.000 0.202 224 L C 1.068 177.797 176.870 -0.235 0.000 1.074 224 L CA 0.469 55.279 54.840 -0.051 0.000 0.757 224 L CB -0.490 41.529 42.059 -0.067 0.000 0.918 224 L HN 0.482 nan 8.230 nan 0.000 0.444 225 G N -0.544 107.852 108.800 -0.674 0.000 2.785 225 G HA2 -0.178 3.782 3.960 -0.000 0.000 0.685 225 G HA3 -0.178 3.782 3.960 -0.000 0.000 0.685 225 G C -2.268 172.161 174.900 -0.786 0.000 1.480 225 G CA -0.428 43.999 45.100 -1.121 0.000 0.915 225 G HN 0.035 nan 8.290 nan 0.000 0.576 226 P HA -0.126 nan 4.420 nan 0.000 0.215 226 P C 1.944 179.243 177.300 -0.003 0.000 1.157 226 P CA 2.041 65.028 63.100 -0.189 0.000 0.874 226 P CB 0.016 31.657 31.700 -0.098 0.000 0.790 227 Q N -0.962 118.814 119.800 -0.040 0.000 2.050 227 Q HA -0.100 4.239 4.340 -0.000 0.000 0.202 227 Q C 2.290 178.307 176.000 0.028 0.000 0.980 227 Q CA 1.181 56.991 55.803 0.011 0.000 0.840 227 Q CB -0.707 28.041 28.738 0.018 0.000 0.898 227 Q HN 0.234 nan 8.270 nan 0.000 0.424 228 L N -0.530 120.694 121.223 0.002 0.000 2.093 228 L HA -0.151 4.189 4.340 -0.000 0.000 0.208 228 L C 2.255 179.145 176.870 0.032 0.000 1.085 228 L CA 0.825 55.670 54.840 0.009 0.000 0.755 228 L CB -0.317 41.645 42.059 -0.160 0.000 0.904 228 L HN 0.247 nan 8.230 nan 0.000 0.435 229 F N 1.459 121.352 119.950 -0.096 0.000 2.095 229 F HA -0.277 4.250 4.527 -0.000 0.000 0.298 229 F C 2.347 178.161 175.800 0.024 0.000 1.104 229 F CA 1.803 59.791 58.000 -0.019 0.000 1.232 229 F CB -0.179 38.933 39.000 0.187 0.000 0.987 229 F HN 0.148 nan 8.300 nan 0.000 0.475 230 N N 0.432 119.265 118.700 0.221 0.000 2.289 230 N HA -0.139 4.601 4.740 -0.000 0.000 0.184 230 N C 1.678 177.152 175.510 -0.059 0.000 1.016 230 N CA 1.148 54.254 53.050 0.094 0.000 0.872 230 N CB -0.299 38.252 38.487 0.107 0.000 0.973 230 N HN 0.402 nan 8.380 nan 0.000 0.433 231 K N -0.886 119.450 120.400 -0.106 0.000 2.098 231 K HA 0.086 4.406 4.320 -0.000 0.000 0.203 231 K C 0.987 177.360 176.600 -0.379 0.000 1.051 231 K CA 0.863 56.970 56.287 -0.301 0.000 0.957 231 K CB 0.051 32.269 32.500 -0.470 0.000 0.738 231 K HN 0.149 nan 8.250 nan 0.000 0.447 232 F N -1.156 118.753 119.950 -0.070 0.000 2.712 232 F HA 0.225 4.752 4.527 -0.000 0.000 0.297 232 F C 1.801 177.619 175.800 0.029 0.000 1.114 232 F CA -0.045 57.948 58.000 -0.012 0.000 1.305 232 F CB 0.585 39.439 39.000 -0.244 0.000 1.086 232 F HN -0.054 nan 8.300 nan 0.000 0.599 233 A N -0.427 122.314 122.820 -0.131 0.000 1.970 233 A HA 0.136 4.456 4.320 -0.000 0.000 0.204 233 A C 1.714 179.117 177.584 -0.303 0.000 1.325 233 A CA 0.304 52.157 52.037 -0.308 0.000 0.767 233 A CB -0.791 17.609 19.000 -1.000 0.000 0.949 233 A HN 0.189 nan 8.150 nan 0.000 0.481 234 L N 0.845 121.775 121.223 -0.488 0.000 2.046 234 L HA 0.004 4.344 4.340 -0.000 0.000 0.208 234 L C -1.001 175.814 176.870 -0.091 0.000 1.077 234 L CA 2.265 56.981 54.840 -0.207 0.000 0.747 234 L CB -1.010 41.034 42.059 -0.025 0.000 0.896 234 L HN 0.153 nan 8.230 nan 0.000 0.432 235 P HA -0.181 nan 4.420 nan 0.000 0.215 235 P C 1.026 178.141 177.300 -0.308 0.000 1.153 235 P CA 1.764 64.672 63.100 -0.320 0.000 0.853 235 P CB -0.150 31.198 31.700 -0.587 0.000 0.788 236 Y N -1.350 118.975 120.300 0.043 0.000 2.286 236 Y HA -0.037 4.513 4.550 -0.000 0.000 0.293 236 Y C 2.377 178.345 175.900 0.113 0.000 1.124 236 Y CA 0.467 58.617 58.100 0.083 0.000 1.178 236 Y CB -1.035 37.486 38.460 0.102 0.000 1.010 236 Y HN -0.155 nan 8.280 nan 0.000 0.536 237 I N 0.150 120.859 120.570 0.230 0.000 2.151 237 I HA -0.373 3.797 4.170 -0.000 0.000 0.243 237 I C 2.424 178.730 176.117 0.315 0.000 1.080 237 I CA 1.572 63.019 61.300 0.245 0.000 1.339 237 I CB -0.374 37.713 38.000 0.146 0.000 1.039 237 I HN 0.191 nan 8.210 nan 0.000 0.409 238 R N 0.563 121.183 120.500 0.199 0.000 2.083 238 R HA -0.186 4.154 4.340 -0.000 0.000 0.237 238 R C 2.000 178.360 176.300 0.100 0.000 1.137 238 R CA 1.866 58.060 56.100 0.157 0.000 0.951 238 R CB -0.433 29.906 30.300 0.066 0.000 0.851 238 R HN 0.374 nan 8.270 nan 0.000 0.434 239 D N 0.128 120.573 120.400 0.075 0.000 2.123 239 D HA -0.133 4.507 4.640 -0.000 0.000 0.196 239 D C 1.984 178.342 176.300 0.096 0.000 0.992 239 D CA 0.999 55.040 54.000 0.068 0.000 0.833 239 D CB -0.333 40.513 40.800 0.076 0.000 0.954 239 D HN 0.007 nan 8.370 nan 0.000 0.455 240 V N 1.460 121.467 119.914 0.154 0.000 2.287 240 V HA -0.288 3.832 4.120 -0.000 0.000 0.248 240 V C 2.534 178.664 176.094 0.060 0.000 1.053 240 V CA 2.052 64.443 62.300 0.152 0.000 1.027 240 V CB -0.820 31.143 31.823 0.234 0.000 0.646 240 V HN 0.219 nan 8.190 nan 0.000 0.447 241 A N -0.443 122.368 122.820 -0.014 0.000 1.877 241 A HA -0.263 4.056 4.320 -0.000 0.000 0.216 241 A C 2.346 179.853 177.584 -0.128 0.000 1.186 241 A CA 2.188 54.076 52.037 -0.249 0.000 0.620 241 A CB -0.535 18.057 19.000 -0.680 0.000 0.822 241 A HN 0.537 nan 8.150 nan 0.000 0.443 242 K N -0.505 119.859 120.400 -0.059 0.000 2.032 242 K HA -0.233 4.087 4.320 -0.000 0.000 0.209 242 K C 2.244 178.837 176.600 -0.012 0.000 1.048 242 K CA 1.913 58.182 56.287 -0.029 0.000 0.927 242 K CB -0.246 32.250 32.500 -0.007 0.000 0.712 242 K HN 0.628 nan 8.250 nan 0.000 0.441 243 Q N -0.036 119.768 119.800 0.007 0.000 2.123 243 Q HA -0.098 4.242 4.340 -0.000 0.000 0.199 243 Q C 2.177 178.186 176.000 0.014 0.000 0.966 243 Q CA 1.291 57.105 55.803 0.020 0.000 0.845 243 Q CB 0.142 28.905 28.738 0.042 0.000 0.907 243 Q HN 0.162 nan 8.270 nan 0.000 0.439 244 V N 1.431 121.349 119.914 0.007 0.000 2.261 244 V HA -0.284 3.836 4.120 -0.000 0.000 0.246 244 V C 2.085 178.174 176.094 -0.008 0.000 1.047 244 V CA 1.824 64.125 62.300 0.001 0.000 1.015 244 V CB -0.452 31.367 31.823 -0.006 0.000 0.642 244 V HN 0.302 nan 8.190 nan 0.000 0.446 245 K N 0.203 120.591 120.400 -0.020 0.000 2.074 245 K HA -0.226 4.094 4.320 -0.000 0.000 0.209 245 K C 2.278 178.879 176.600 0.001 0.000 1.048 245 K CA 1.700 57.983 56.287 -0.008 0.000 0.926 245 K CB -0.479 32.011 32.500 -0.016 0.000 0.713 245 K HN 0.494 nan 8.250 nan 0.000 0.444 246 A N 1.548 124.367 122.820 -0.001 0.000 1.902 246 A HA -0.160 4.160 4.320 -0.000 0.000 0.217 246 A C 2.068 179.654 177.584 0.003 0.000 1.181 246 A CA 1.267 53.305 52.037 0.002 0.000 0.623 246 A CB -0.358 18.644 19.000 0.004 0.000 0.818 246 A HN 0.208 nan 8.150 nan 0.000 0.443 247 R N -0.620 119.883 120.500 0.005 0.000 2.092 247 R HA -0.000 4.340 4.340 -0.000 0.000 0.231 247 R C 2.039 178.338 176.300 -0.002 0.000 1.119 247 R CA 1.259 57.361 56.100 0.004 0.000 0.970 247 R CB -0.506 29.799 30.300 0.007 0.000 0.864 247 R HN 0.506 nan 8.270 nan 0.000 0.440 248 L N 0.171 121.393 121.223 -0.002 0.000 2.046 248 L HA -0.166 4.174 4.340 -0.000 0.000 0.208 248 L C 2.608 179.479 176.870 0.001 0.000 1.077 248 L CA 1.413 56.252 54.840 -0.002 0.000 0.747 248 L CB -0.362 41.700 42.059 0.004 0.000 0.896 248 L HN 0.138 nan 8.230 nan 0.000 0.432 249 R N 0.139 120.641 120.500 0.003 0.000 2.073 249 R HA -0.171 4.169 4.340 -0.000 0.000 0.234 249 R C 2.176 178.475 176.300 -0.002 0.000 1.134 249 R CA 1.568 57.668 56.100 0.000 0.000 0.952 249 R CB -0.324 29.976 30.300 -0.000 0.000 0.850 249 R HN 0.447 nan 8.270 nan 0.000 0.433 250 E N 0.389 120.589 120.200 -0.001 0.000 2.153 250 E HA -0.156 4.194 4.350 -0.000 0.000 0.194 250 E C 1.684 178.282 176.600 -0.003 0.000 0.988 250 E CA 1.123 57.523 56.400 -0.001 0.000 0.811 250 E CB -0.048 29.652 29.700 0.001 0.000 0.746 250 E HN 0.354 nan 8.360 nan 0.000 0.466 251 A N 0.280 123.097 122.820 -0.004 0.000 2.238 251 A HA 0.236 4.556 4.320 -0.000 0.000 0.208 251 A C 1.729 179.310 177.584 -0.005 0.000 1.177 251 A CA 0.773 52.806 52.037 -0.007 0.000 0.804 251 A CB -0.307 18.686 19.000 -0.012 0.000 0.823 251 A HN 0.331 nan 8.150 nan 0.000 0.482 252 G N -1.452 107.346 108.800 -0.004 0.000 2.136 252 G HA2 -0.198 3.762 3.960 -0.000 0.000 0.242 252 G HA3 -0.198 3.762 3.960 -0.000 0.000 0.242 252 G C 0.017 174.917 174.900 -0.000 0.000 0.989 252 G CA 0.403 45.501 45.100 -0.004 0.000 0.682 252 G HN 0.430 nan 8.290 nan 0.000 0.522 253 L N 0.046 121.270 121.223 0.002 0.000 2.352 253 L HA 0.808 5.147 4.340 -0.000 0.000 0.269 253 L C 1.002 177.880 176.870 0.013 0.000 1.034 253 L CA -0.702 54.144 54.840 0.010 0.000 0.806 253 L CB 1.657 43.721 42.059 0.009 0.000 1.244 253 L HN 0.263 nan 8.230 nan 0.000 0.447 254 A N 2.269 125.103 122.820 0.023 0.000 2.340 254 A HA 0.567 4.887 4.320 -0.000 0.000 0.268 254 A C -2.203 175.419 177.584 0.064 0.000 1.100 254 A CA -1.176 50.879 52.037 0.030 0.000 0.803 254 A CB -0.337 18.681 19.000 0.030 0.000 1.043 254 A HN 0.472 nan 8.150 nan 0.000 0.488 255 P HA 0.280 nan 4.420 nan 0.000 0.270 255 P C -0.315 177.138 177.300 0.254 0.000 1.223 255 P CA 0.087 63.285 63.100 0.163 0.000 0.785 255 P CB 0.634 32.473 31.700 0.232 0.000 0.923 256 V N -2.341 117.685 119.914 0.187 0.000 2.919 256 V HA 0.608 4.728 4.120 -0.000 0.000 0.316 256 V C -2.727 173.335 176.094 -0.054 0.000 1.077 256 V CA -3.226 59.166 62.300 0.154 0.000 0.977 256 V CB 1.185 33.039 31.823 0.050 0.000 1.039 256 V HN 0.309 nan 8.190 nan 0.000 0.441 257 P HA 0.323 nan 4.420 nan 0.000 0.268 257 P C -0.700 176.399 177.300 -0.335 0.000 1.204 257 P CA 0.265 62.877 63.100 -0.813 0.000 0.768 257 P CB 0.331 31.415 31.700 -1.026 0.000 0.842 258 M N 3.196 122.648 119.600 -0.246 0.000 2.436 258 M HA 0.471 4.951 4.480 -0.000 0.000 0.331 258 M C -0.174 176.220 176.300 0.158 0.000 1.135 258 M CA -0.587 54.698 55.300 -0.025 0.000 0.987 258 M CB 1.581 34.114 32.600 -0.111 0.000 1.687 258 M HN 0.143 nan 8.290 nan 0.000 0.445 259 I N 3.129 123.839 120.570 0.233 0.000 2.406 259 I HA 0.422 4.592 4.170 -0.000 0.000 0.290 259 I C -0.927 175.246 176.117 0.092 0.000 0.999 259 I CA -0.733 60.663 61.300 0.160 0.000 1.124 259 I CB 1.931 39.992 38.000 0.101 0.000 1.289 259 I HN 0.514 nan 8.210 nan 0.000 0.441 260 I N 7.099 127.595 120.570 -0.122 0.000 2.336 260 I HA 0.422 4.591 4.170 -0.000 0.000 0.292 260 I C -1.419 174.659 176.117 -0.065 0.000 0.991 260 I CA -0.350 60.734 61.300 -0.360 0.000 1.227 260 I CB 0.930 38.388 38.000 -0.904 0.000 1.366 260 I HN 0.397 nan 8.210 nan 0.000 0.466 261 F N 8.487 128.321 119.950 -0.193 0.000 2.430 261 F HA 0.751 5.278 4.527 -0.000 0.000 0.362 261 F C -0.437 175.347 175.800 -0.026 0.000 1.103 261 F CA -0.920 57.013 58.000 -0.113 0.000 1.045 261 F CB 0.944 39.853 39.000 -0.151 0.000 1.276 261 F HN 0.559 nan 8.300 nan 0.000 0.444 262 A N 6.984 129.573 122.820 -0.385 0.000 2.444 262 A HA 0.312 4.632 4.320 -0.000 0.000 0.332 262 A C -0.030 177.166 177.584 -0.648 0.000 1.430 262 A CA -0.750 51.055 52.037 -0.386 0.000 0.975 262 A CB -0.037 18.817 19.000 -0.243 0.000 1.147 262 A HN 0.726 nan 8.150 nan 0.000 0.524 263 K N 2.412 122.332 120.400 -0.799 0.000 2.416 263 K HA 0.096 4.416 4.320 -0.000 0.000 0.283 263 K C -0.597 175.779 176.600 -0.373 0.000 1.037 263 K CA 0.158 56.005 56.287 -0.733 0.000 0.995 263 K CB 0.160 32.295 32.500 -0.608 0.000 0.938 263 K HN 0.716 nan 8.250 nan 0.000 0.475 264 D N 2.311 122.503 120.400 -0.348 0.000 2.981 264 D HA -0.135 4.505 4.640 -0.000 0.000 0.223 264 D C 0.254 176.408 176.300 -0.243 0.000 1.151 264 D CA 1.264 55.135 54.000 -0.214 0.000 0.827 264 D CB -1.127 39.592 40.800 -0.136 0.000 1.101 264 D HN 0.856 nan 8.370 nan 0.000 0.426 265 G N -0.345 108.159 108.800 -0.493 0.000 3.591 265 G HA2 0.192 4.152 3.960 -0.000 0.000 0.282 265 G HA3 0.192 4.152 3.960 -0.000 0.000 0.282 265 G C 1.049 175.318 174.900 -1.052 0.000 1.238 265 G CA 0.259 44.743 45.100 -1.026 0.000 0.993 265 G HN 0.595 nan 8.290 nan 0.000 0.542 266 H N -0.418 118.297 119.070 -0.592 0.000 2.390 266 H HA -0.222 4.334 4.556 -0.000 0.000 0.298 266 H C 1.859 176.974 175.328 -0.355 0.000 1.106 266 H CA 1.757 57.589 56.048 -0.360 0.000 1.297 266 H CB -0.683 28.970 29.762 -0.183 0.000 1.375 266 H HN 0.479 nan 8.280 nan 0.000 0.509 267 F N -0.227 119.166 119.950 -0.929 0.000 2.604 267 F HA 0.423 4.950 4.527 -0.000 0.000 0.298 267 F C 2.070 177.635 175.800 -0.393 0.000 1.131 267 F CA 0.221 57.868 58.000 -0.588 0.000 1.457 267 F CB -0.260 38.349 39.000 -0.652 0.000 1.095 267 F HN 0.343 nan 8.300 nan 0.000 0.574 268 A N 0.317 122.603 122.820 -0.889 0.000 2.431 268 A HA 0.387 4.707 4.320 -0.000 0.000 0.239 268 A C 1.818 179.192 177.584 -0.350 0.000 1.230 268 A CA -0.205 51.459 52.037 -0.622 0.000 0.928 268 A CB -0.744 17.507 19.000 -1.249 0.000 1.006 268 A HN 0.442 nan 8.150 nan 0.000 0.520 269 L N -0.435 120.608 121.223 -0.299 0.000 2.042 269 L HA -0.220 4.120 4.340 -0.000 0.000 0.210 269 L C 2.490 179.314 176.870 -0.075 0.000 1.076 269 L CA 2.018 56.759 54.840 -0.165 0.000 0.749 269 L CB -0.336 41.652 42.059 -0.119 0.000 0.893 269 L HN 0.615 nan 8.230 nan 0.000 0.432 270 E N 0.017 120.185 120.200 -0.054 0.000 2.051 270 E HA -0.226 4.123 4.350 -0.000 0.000 0.192 270 E C 2.104 178.709 176.600 0.008 0.000 0.991 270 E CA 1.112 57.505 56.400 -0.012 0.000 0.799 270 E CB 0.171 29.870 29.700 -0.002 0.000 0.748 270 E HN 0.374 nan 8.360 nan 0.000 0.449 271 E N 0.541 120.748 120.200 0.011 0.000 2.077 271 E HA -0.179 4.171 4.350 -0.000 0.000 0.193 271 E C 2.340 178.981 176.600 0.067 0.000 0.989 271 E CA 0.795 57.227 56.400 0.054 0.000 0.800 271 E CB -0.236 29.523 29.700 0.099 0.000 0.746 271 E HN 0.407 nan 8.360 nan 0.000 0.452 272 L N 0.501 121.745 121.223 0.035 0.000 2.131 272 L HA -0.128 4.212 4.340 -0.000 0.000 0.210 272 L C 2.413 179.320 176.870 0.062 0.000 1.092 272 L CA 0.969 55.832 54.840 0.038 0.000 0.759 272 L CB -0.470 41.563 42.059 -0.044 0.000 0.903 272 L HN 0.047 nan 8.230 nan 0.000 0.435 273 A N -0.747 122.100 122.820 0.046 0.000 2.168 273 A HA -0.145 4.175 4.320 -0.000 0.000 0.215 273 A C 2.023 179.654 177.584 0.078 0.000 1.152 273 A CA 0.987 53.061 52.037 0.062 0.000 0.716 273 A CB -0.199 18.826 19.000 0.043 0.000 0.794 273 A HN 0.531 nan 8.150 nan 0.000 0.465 274 Q N -1.286 118.563 119.800 0.081 0.000 2.282 274 Q HA 0.309 4.649 4.340 -0.000 0.000 0.206 274 Q C 1.561 177.624 176.000 0.104 0.000 0.878 274 Q CA 0.426 56.276 55.803 0.078 0.000 0.944 274 Q CB 0.248 29.022 28.738 0.059 0.000 1.100 274 Q HN 0.577 nan 8.270 nan 0.000 0.509 275 A N 0.517 123.433 122.820 0.160 0.000 2.251 275 A HA 0.360 4.680 4.320 -0.000 0.000 0.209 275 A C 1.377 179.112 177.584 0.252 0.000 1.187 275 A CA 0.759 52.931 52.037 0.226 0.000 0.823 275 A CB -0.183 18.986 19.000 0.282 0.000 0.846 275 A HN 0.402 nan 8.150 nan 0.000 0.486 276 G N -2.333 106.561 108.800 0.157 0.000 2.134 276 G HA2 -0.230 3.730 3.960 -0.000 0.000 0.209 276 G HA3 -0.230 3.730 3.960 -0.000 0.000 0.209 276 G C -0.282 174.518 174.900 -0.167 0.000 0.993 276 G CA 0.046 45.137 45.100 -0.015 0.000 0.669 276 G HN 0.376 nan 8.290 nan 0.000 0.519 277 Y N 0.124 120.438 120.300 0.023 0.000 2.360 277 Y HA 0.579 5.128 4.550 -0.000 0.000 0.337 277 Y C 1.383 177.267 175.900 -0.027 0.000 1.039 277 Y CA -0.759 57.339 58.100 -0.004 0.000 1.109 277 Y CB 1.502 39.968 38.460 0.010 0.000 1.201 277 Y HN 0.056 nan 8.280 nan 0.000 0.458 278 E N 1.161 121.365 120.200 0.007 0.000 2.150 278 E HA -0.015 4.335 4.350 -0.000 0.000 0.193 278 E C -0.383 176.199 176.600 -0.030 0.000 0.985 278 E CA 0.893 57.249 56.400 -0.073 0.000 0.814 278 E CB 0.100 29.590 29.700 -0.349 0.000 0.752 278 E HN 0.283 nan 8.360 nan 0.000 0.466 279 V N 0.513 120.432 119.914 0.009 0.000 2.656 279 V HA 0.324 4.444 4.120 -0.000 0.000 0.307 279 V C -0.632 175.502 176.094 0.067 0.000 1.051 279 V CA -0.994 61.315 62.300 0.015 0.000 0.893 279 V CB 2.312 34.113 31.823 -0.036 0.000 0.999 279 V HN -0.250 nan 8.190 nan 0.000 0.426 280 V N 3.349 123.303 119.914 0.066 0.000 2.347 280 V HA 0.657 4.777 4.120 -0.000 0.000 0.280 280 V C 0.799 176.956 176.094 0.104 0.000 1.021 280 V CA -0.310 62.028 62.300 0.062 0.000 0.847 280 V CB 1.509 33.361 31.823 0.049 0.000 0.990 280 V HN 0.989 nan 8.190 nan 0.000 0.444 281 G N 4.959 113.847 108.800 0.147 0.000 2.395 281 G HA2 0.648 4.608 3.960 -0.000 0.000 0.283 281 G HA3 0.648 4.608 3.960 -0.000 0.000 0.283 281 G C -0.827 174.296 174.900 0.372 0.000 1.178 281 G CA -0.436 44.804 45.100 0.233 0.000 0.837 281 G HN 0.590 nan 8.290 nan 0.000 0.518 282 L N 1.257 122.683 121.223 0.337 0.000 2.362 282 L HA 0.369 4.709 4.340 -0.000 0.000 0.271 282 L C -0.172 176.940 176.870 0.405 0.000 1.002 282 L CA -1.197 53.819 54.840 0.293 0.000 0.818 282 L CB 2.250 44.455 42.059 0.242 0.000 1.298 282 L HN 0.745 nan 8.230 nan 0.000 0.420 283 D N -0.569 119.983 120.400 0.253 0.000 2.398 283 D HA 0.008 4.648 4.640 -0.000 0.000 0.247 283 D C 0.724 177.095 176.300 0.118 0.000 1.227 283 D CA -0.495 53.620 54.000 0.190 0.000 0.980 283 D CB 0.537 41.219 40.800 -0.197 0.000 1.106 283 D HN 0.616 nan 8.370 nan 0.000 0.493 284 W N -0.975 120.379 121.300 0.089 0.000 2.937 284 W HA 0.051 4.711 4.660 -0.000 0.000 0.245 284 W C 1.460 177.993 176.519 0.024 0.000 1.306 284 W CA 0.603 57.980 57.345 0.054 0.000 1.470 284 W CB -0.947 28.527 29.460 0.023 0.000 1.132 284 W HN 0.408 nan 8.180 nan 0.000 0.675 285 T N -1.631 112.602 114.554 -0.534 0.000 3.088 285 T HA 0.084 4.434 4.350 -0.000 0.000 0.259 285 T C 0.531 175.116 174.700 -0.193 0.000 1.122 285 T CA 0.161 62.035 62.100 -0.378 0.000 1.095 285 T CB -0.617 67.955 68.868 -0.494 0.000 0.930 285 T HN -0.073 nan 8.240 nan 0.000 0.508 286 V N 2.638 122.471 119.914 -0.136 0.000 2.406 286 V HA 0.642 4.762 4.120 -0.000 0.000 0.272 286 V C 0.835 176.883 176.094 -0.077 0.000 1.043 286 V CA -1.315 60.931 62.300 -0.090 0.000 0.915 286 V CB 0.200 31.991 31.823 -0.053 0.000 0.988 286 V HN 0.642 nan 8.190 nan 0.000 0.466 287 A N 7.519 130.278 122.820 -0.101 0.000 2.520 287 A HA 0.371 4.690 4.320 -0.000 0.000 0.245 287 A C -1.111 176.337 177.584 -0.225 0.000 1.072 287 A CA -0.806 51.147 52.037 -0.141 0.000 0.761 287 A CB 0.003 18.930 19.000 -0.122 0.000 1.004 287 A HN 0.714 nan 8.150 nan 0.000 0.499 288 P HA -0.209 nan 4.420 nan 0.000 0.216 288 P C 1.203 178.233 177.300 -0.451 0.000 1.157 288 P CA 1.714 64.344 63.100 -0.784 0.000 0.880 288 P CB 0.096 30.838 31.700 -1.598 0.000 0.791 289 K N -0.126 120.077 120.400 -0.328 0.000 2.063 289 K HA -0.157 4.163 4.320 -0.000 0.000 0.208 289 K C 2.045 178.572 176.600 -0.122 0.000 1.048 289 K CA 1.487 57.661 56.287 -0.189 0.000 0.928 289 K CB -0.309 32.104 32.500 -0.145 0.000 0.713 289 K HN 0.184 nan 8.250 nan 0.000 0.442 290 K N 0.537 120.869 120.400 -0.114 0.000 2.057 290 K HA -0.090 4.230 4.320 -0.000 0.000 0.206 290 K C 2.260 178.827 176.600 -0.055 0.000 1.050 290 K CA 1.144 57.387 56.287 -0.073 0.000 0.935 290 K CB -0.154 32.305 32.500 -0.068 0.000 0.715 290 K HN 0.123 nan 8.250 nan 0.000 0.439 291 A N 1.620 124.401 122.820 -0.065 0.000 1.908 291 A HA -0.219 4.101 4.320 -0.000 0.000 0.218 291 A C 2.125 179.710 177.584 0.001 0.000 1.181 291 A CA 1.722 53.746 52.037 -0.022 0.000 0.627 291 A CB -0.429 18.576 19.000 0.009 0.000 0.818 291 A HN 0.127 nan 8.150 nan 0.000 0.445 292 R N 0.310 120.802 120.500 -0.014 0.000 2.081 292 R HA -0.125 4.215 4.340 -0.000 0.000 0.235 292 R C 1.959 178.264 176.300 0.008 0.000 1.131 292 R CA 2.072 58.181 56.100 0.015 0.000 0.960 292 R CB -0.541 29.758 30.300 -0.001 0.000 0.856 292 R HN 0.725 nan 8.270 nan 0.000 0.436 293 E N -0.846 119.347 120.200 -0.011 0.000 2.085 293 E HA -0.243 4.107 4.350 -0.000 0.000 0.194 293 E C 2.190 178.789 176.600 -0.001 0.000 0.994 293 E CA 1.538 57.934 56.400 -0.007 0.000 0.801 293 E CB -0.281 29.410 29.700 -0.016 0.000 0.743 293 E HN 0.371 nan 8.360 nan 0.000 0.453 294 C N 0.344 119.642 119.300 -0.004 0.000 2.432 294 C HA -0.099 4.361 4.460 -0.000 0.000 0.277 294 C C 2.863 177.856 174.990 0.006 0.000 1.249 294 C CA 0.990 60.007 59.018 -0.003 0.000 1.725 294 C CB -0.774 26.957 27.740 -0.015 0.000 2.028 294 C HN 0.453 nan 8.230 nan 0.000 0.477 295 V N -0.857 119.067 119.914 0.017 0.000 3.174 295 V HA 0.489 4.609 4.120 -0.000 0.000 0.254 295 V C 1.171 177.285 176.094 0.034 0.000 1.120 295 V CA 0.877 63.194 62.300 0.029 0.000 1.114 295 V CB -1.440 30.409 31.823 0.044 0.000 0.756 295 V HN 0.830 nan 8.190 nan 0.000 0.467 296 G N 0.855 109.674 108.800 0.031 0.000 2.642 296 G HA2 -0.269 3.691 3.960 -0.000 0.000 0.231 296 G HA3 -0.269 3.691 3.960 -0.000 0.000 0.231 296 G C 0.209 175.134 174.900 0.042 0.000 1.338 296 G CA 0.360 45.479 45.100 0.031 0.000 0.883 296 G HN 0.404 nan 8.290 nan 0.000 0.570 297 K N -0.035 120.388 120.400 0.038 0.000 2.358 297 K HA 0.259 4.579 4.320 -0.000 0.000 0.197 297 K C 2.046 178.672 176.600 0.044 0.000 1.025 297 K CA 0.950 57.262 56.287 0.041 0.000 1.104 297 K CB 0.230 32.746 32.500 0.026 0.000 0.855 297 K HN 0.683 nan 8.250 nan 0.000 0.531 298 T N -2.197 112.384 114.554 0.046 0.000 3.085 298 T HA 0.139 4.489 4.350 -0.000 0.000 0.264 298 T C 0.366 175.103 174.700 0.062 0.000 1.019 298 T CA -0.472 61.659 62.100 0.051 0.000 0.910 298 T CB -0.095 68.800 68.868 0.045 0.000 1.059 298 T HN -0.092 nan 8.240 nan 0.000 0.542 299 V N -1.226 118.727 119.914 0.065 0.000 2.769 299 V HA 0.740 4.860 4.120 -0.000 0.000 0.312 299 V C -0.181 175.956 176.094 0.071 0.000 1.058 299 V CA -0.750 61.590 62.300 0.066 0.000 0.952 299 V CB 1.410 33.275 31.823 0.070 0.000 1.019 299 V HN 0.141 nan 8.190 nan 0.000 0.445 300 T N 4.714 119.299 114.554 0.052 0.000 2.889 300 T HA 0.574 4.923 4.350 -0.000 0.000 0.291 300 T C -0.146 174.600 174.700 0.076 0.000 0.995 300 T CA -0.126 62.006 62.100 0.054 0.000 1.092 300 T CB 0.652 69.509 68.868 -0.017 0.000 0.954 300 T HN 0.591 nan 8.240 nan 0.000 0.506 301 L N 3.117 124.419 121.223 0.132 0.000 2.325 301 L HA 0.535 4.875 4.340 -0.000 0.000 0.279 301 L C 0.227 177.161 176.870 0.106 0.000 1.054 301 L CA -0.655 54.285 54.840 0.166 0.000 0.804 301 L CB 1.486 43.727 42.059 0.304 0.000 1.200 301 L HN 0.563 nan 8.230 nan 0.000 0.436 302 Q N 1.749 121.593 119.800 0.074 0.000 2.353 302 Q HA 0.689 5.029 4.340 -0.000 0.000 0.268 302 Q C -0.423 175.575 176.000 -0.003 0.000 1.045 302 Q CA -0.055 55.736 55.803 -0.020 0.000 0.811 302 Q CB 2.431 31.177 28.738 0.014 0.000 1.305 302 Q HN 0.825 nan 8.270 nan 0.000 0.447 303 G N 2.459 111.213 108.800 -0.075 0.000 2.250 303 G HA2 -0.086 3.874 3.960 -0.000 0.000 0.252 303 G HA3 -0.086 3.874 3.960 -0.000 0.000 0.252 303 G C -1.211 173.776 174.900 0.146 0.000 1.325 303 G CA -0.064 45.053 45.100 0.027 0.000 1.091 303 G HN 0.857 nan 8.290 nan 0.000 0.476 304 N N -0.534 118.369 118.700 0.339 0.000 2.475 304 N HA 0.327 5.067 4.740 -0.000 0.000 0.272 304 N C -0.165 175.496 175.510 0.253 0.000 1.482 304 N CA -0.247 52.983 53.050 0.299 0.000 0.863 304 N CB 0.397 39.128 38.487 0.406 0.000 1.400 304 N HN 0.808 nan 8.380 nan 0.000 0.489 305 L N 1.733 123.035 121.223 0.132 0.000 2.499 305 L HA 0.177 4.517 4.340 -0.000 0.000 0.273 305 L C 0.329 177.133 176.870 -0.110 0.000 1.195 305 L CA 0.173 55.026 54.840 0.022 0.000 0.882 305 L CB 0.193 42.198 42.059 -0.090 0.000 1.133 305 L HN 0.181 nan 8.230 nan 0.000 0.483 306 D N 7.479 127.814 120.400 -0.108 0.000 2.662 306 D HA -0.067 4.573 4.640 -0.000 0.000 0.237 306 D C -1.617 174.299 176.300 -0.641 0.000 1.154 306 D CA -1.034 52.652 54.000 -0.522 0.000 0.861 306 D CB 1.004 41.516 40.800 -0.481 0.000 1.146 306 D HN 0.397 nan 8.370 nan 0.000 0.518 307 P HA -0.133 nan 4.420 nan 0.000 0.218 307 P C 1.392 178.121 177.300 -0.951 0.000 1.148 307 P CA 0.691 63.252 63.100 -0.898 0.000 0.822 307 P CB -0.015 31.036 31.700 -1.082 0.000 0.784 308 C N -0.285 118.494 119.300 -0.869 0.000 2.422 308 C HA 0.077 4.536 4.460 -0.000 0.000 0.286 308 C C 2.934 177.659 174.990 -0.442 0.000 1.412 308 C CA 0.724 59.349 59.018 -0.655 0.000 1.786 308 C CB -1.978 25.629 27.740 -0.222 0.000 1.835 308 C HN 0.250 nan 8.230 nan 0.000 0.533 309 A N 0.531 123.114 122.820 -0.394 0.000 2.076 309 A HA -0.086 4.234 4.320 -0.000 0.000 0.220 309 A C 1.937 179.390 177.584 -0.218 0.000 1.160 309 A CA 1.204 53.102 52.037 -0.232 0.000 0.653 309 A CB -0.521 18.362 19.000 -0.196 0.000 0.801 309 A HN 0.685 nan 8.150 nan 0.000 0.455 310 L N -1.856 119.133 121.223 -0.391 0.000 2.610 310 L HA -0.075 4.265 4.340 -0.000 0.000 0.232 310 L C 1.715 178.487 176.870 -0.163 0.000 1.149 310 L CA 0.522 55.185 54.840 -0.294 0.000 0.872 310 L CB -0.509 41.281 42.059 -0.448 0.000 0.992 310 L HN 0.543 nan 8.230 nan 0.000 0.447 311 Y N 0.380 120.619 120.300 -0.101 0.000 2.516 311 Y HA 0.115 4.664 4.550 -0.000 0.000 0.291 311 Y C 1.917 177.827 175.900 0.017 0.000 1.131 311 Y CA -0.423 57.633 58.100 -0.074 0.000 1.281 311 Y CB -0.024 38.384 38.460 -0.087 0.000 1.013 311 Y HN 0.157 nan 8.280 nan 0.000 0.554 312 A N 0.750 123.669 122.820 0.165 0.000 2.346 312 A HA 0.236 4.556 4.320 -0.000 0.000 0.255 312 A C 0.669 178.360 177.584 0.178 0.000 1.113 312 A CA -0.054 52.060 52.037 0.128 0.000 0.798 312 A CB -0.147 18.887 19.000 0.058 0.000 1.073 312 A HN 0.321 nan 8.150 nan 0.000 0.502 313 S N -0.527 115.234 115.700 0.102 0.000 2.579 313 S HA 0.100 4.570 4.470 -0.000 0.000 0.275 313 S C 0.675 175.227 174.600 -0.079 0.000 1.345 313 S CA 0.400 58.629 58.200 0.047 0.000 1.031 313 S CB 0.452 63.671 63.200 0.031 0.000 0.892 313 S HN 0.683 nan 8.310 nan 0.000 0.529 314 E N 0.924 120.980 120.200 -0.241 0.000 2.097 314 E HA -0.278 4.072 4.350 -0.000 0.000 0.196 314 E C 1.928 178.479 176.600 -0.083 0.000 1.000 314 E CA 1.702 57.964 56.400 -0.231 0.000 0.804 314 E CB -0.192 29.357 29.700 -0.250 0.000 0.740 314 E HN 0.944 nan 8.360 nan 0.000 0.454 315 E N 1.163 121.335 120.200 -0.046 0.000 2.077 315 E HA -0.251 4.099 4.350 -0.000 0.000 0.193 315 E C 1.790 178.394 176.600 0.008 0.000 0.989 315 E CA 1.366 57.762 56.400 -0.007 0.000 0.800 315 E CB 0.071 29.771 29.700 0.000 0.000 0.746 315 E HN 0.261 nan 8.360 nan 0.000 0.452 316 E N 0.450 120.653 120.200 0.004 0.000 2.077 316 E HA -0.166 4.183 4.350 -0.000 0.000 0.193 316 E C 2.201 178.810 176.600 0.015 0.000 0.989 316 E CA 1.419 57.826 56.400 0.012 0.000 0.800 316 E CB -0.119 29.591 29.700 0.017 0.000 0.746 316 E HN 0.373 nan 8.360 nan 0.000 0.452 317 I N 0.865 121.441 120.570 0.010 0.000 2.151 317 I HA -0.263 3.907 4.170 -0.000 0.000 0.243 317 I C 2.526 178.680 176.117 0.063 0.000 1.080 317 I CA 1.360 62.677 61.300 0.029 0.000 1.339 317 I CB -0.677 37.331 38.000 0.013 0.000 1.039 317 I HN 0.209 nan 8.210 nan 0.000 0.409 318 G N 0.113 108.951 108.800 0.063 0.000 2.446 318 G HA2 -0.269 3.691 3.960 -0.000 0.000 0.217 318 G HA3 -0.269 3.691 3.960 -0.000 0.000 0.217 318 G C 1.553 176.500 174.900 0.078 0.000 1.168 318 G CA 0.640 45.820 45.100 0.132 0.000 0.771 318 G HN 0.438 nan 8.290 nan 0.000 0.551 319 Q N -0.186 119.631 119.800 0.028 0.000 2.119 319 Q HA 0.077 4.417 4.340 -0.000 0.000 0.201 319 Q C 2.627 178.600 176.000 -0.044 0.000 0.972 319 Q CA 0.842 56.627 55.803 -0.031 0.000 0.847 319 Q CB -0.259 28.473 28.738 -0.010 0.000 0.903 319 Q HN 0.438 nan 8.270 nan 0.000 0.433 320 L N -0.219 121.002 121.223 -0.003 0.000 2.056 320 L HA -0.168 4.172 4.340 -0.000 0.000 0.207 320 L C 2.313 179.203 176.870 0.033 0.000 1.078 320 L CA 0.670 55.517 54.840 0.012 0.000 0.749 320 L CB -0.442 41.629 42.059 0.020 0.000 0.901 320 L HN 0.091 nan 8.230 nan 0.000 0.433 321 V N 0.200 120.150 119.914 0.061 0.000 2.295 321 V HA -0.340 3.780 4.120 -0.000 0.000 0.246 321 V C 2.600 178.690 176.094 -0.006 0.000 1.049 321 V CA 2.056 64.416 62.300 0.100 0.000 1.024 321 V CB -0.561 31.342 31.823 0.134 0.000 0.648 321 V HN 0.463 nan 8.190 nan 0.000 0.447 322 K N -0.184 120.082 120.400 -0.224 0.000 2.032 322 K HA -0.318 4.002 4.320 -0.000 0.000 0.209 322 K C 2.295 178.801 176.600 -0.157 0.000 1.048 322 K CA 2.206 58.243 56.287 -0.418 0.000 0.927 322 K CB -0.194 31.862 32.500 -0.741 0.000 0.712 322 K HN 0.386 nan 8.250 nan 0.000 0.441 323 Q N 0.965 120.705 119.800 -0.099 0.000 2.030 323 Q HA -0.193 4.146 4.340 -0.000 0.000 0.204 323 Q C 2.068 178.058 176.000 -0.017 0.000 0.986 323 Q CA 2.258 58.031 55.803 -0.051 0.000 0.843 323 Q CB -0.298 28.418 28.738 -0.037 0.000 0.904 323 Q HN 0.452 nan 8.270 nan 0.000 0.420 324 M N -0.946 118.678 119.600 0.041 0.000 2.082 324 M HA -0.217 4.263 4.480 -0.000 0.000 0.258 324 M C 1.377 177.778 176.300 0.169 0.000 1.069 324 M CA 1.527 56.904 55.300 0.127 0.000 1.102 324 M CB -0.114 32.639 32.600 0.256 0.000 1.336 324 M HN 0.348 nan 8.290 nan 0.000 0.404 325 L N 0.642 121.956 121.223 0.152 0.000 2.083 325 L HA -0.220 4.120 4.340 -0.000 0.000 0.209 325 L C 1.989 178.889 176.870 0.049 0.000 1.083 325 L CA 1.705 56.633 54.840 0.146 0.000 0.752 325 L CB -1.217 40.946 42.059 0.174 0.000 0.899 325 L HN 0.303 nan 8.230 nan 0.000 0.433 326 D N -0.250 120.154 120.400 0.006 0.000 2.123 326 D HA -0.194 4.445 4.640 -0.000 0.000 0.196 326 D C 1.770 178.034 176.300 -0.060 0.000 0.992 326 D CA 1.354 55.338 54.000 -0.026 0.000 0.833 326 D CB -0.117 40.660 40.800 -0.039 0.000 0.954 326 D HN 0.310 nan 8.370 nan 0.000 0.455 327 D N -0.741 119.596 120.400 -0.105 0.000 2.144 327 D HA -0.067 4.572 4.640 -0.000 0.000 0.200 327 D C 1.957 178.085 176.300 -0.286 0.000 0.978 327 D CA 0.474 54.347 54.000 -0.212 0.000 0.833 327 D CB -0.380 40.235 40.800 -0.307 0.000 0.961 327 D HN 0.239 nan 8.370 nan 0.000 0.470 328 F N 0.498 120.281 119.950 -0.278 0.000 2.234 328 F HA 0.153 4.680 4.527 -0.000 0.000 0.296 328 F C 1.768 177.409 175.800 -0.266 0.000 1.089 328 F CA 0.859 58.609 58.000 -0.416 0.000 1.343 328 F CB -0.122 38.229 39.000 -1.082 0.000 1.040 328 F HN 0.012 nan 8.300 nan 0.000 0.498 329 G N 0.344 109.133 108.800 -0.019 0.000 2.829 329 G HA2 -0.215 3.745 3.960 -0.000 0.000 0.628 329 G HA3 -0.215 3.745 3.960 -0.000 0.000 0.628 329 G C -2.047 172.845 174.900 -0.014 0.000 1.412 329 G CA -0.383 44.706 45.100 -0.020 0.000 0.864 329 G HN 0.095 nan 8.290 nan 0.000 0.544 330 P HA 0.022 nan 4.420 nan 0.000 0.224 330 P C 0.421 177.663 177.300 -0.096 0.000 1.157 330 P CA 1.023 64.045 63.100 -0.130 0.000 0.799 330 P CB 0.075 31.618 31.700 -0.261 0.000 0.809 331 H N 0.840 119.977 119.070 0.112 0.000 2.511 331 H HA 0.309 4.865 4.556 -0.000 0.000 0.346 331 H C 0.663 176.065 175.328 0.123 0.000 1.128 331 H CA -0.410 55.696 56.048 0.095 0.000 1.342 331 H CB 0.531 30.335 29.762 0.070 0.000 1.470 331 H HN -0.021 nan 8.280 nan 0.000 0.546 332 R N 0.200 120.836 120.500 0.226 0.000 3.264 332 R HA -0.253 4.087 4.340 -0.000 0.000 0.251 332 R C -1.220 175.197 176.300 0.196 0.000 0.971 332 R CA 0.533 56.728 56.100 0.160 0.000 0.658 332 R CB -1.874 28.513 30.300 0.145 0.000 1.095 332 R HN 0.527 nan 8.270 nan 0.000 0.443 333 Y N 0.073 120.361 120.300 -0.020 0.000 2.441 333 Y HA 0.562 5.112 4.550 -0.000 0.000 0.334 333 Y C -1.029 174.799 175.900 -0.121 0.000 1.061 333 Y CA -1.661 56.377 58.100 -0.105 0.000 1.032 333 Y CB 1.373 39.764 38.460 -0.115 0.000 1.266 333 Y HN 0.127 nan 8.280 nan 0.000 0.441 334 I N 5.761 125.978 120.570 -0.587 0.000 2.418 334 I HA 0.650 4.820 4.170 -0.000 0.000 0.287 334 I C -0.137 175.457 176.117 -0.872 0.000 1.008 334 I CA -1.047 59.926 61.300 -0.545 0.000 1.104 334 I CB 1.745 39.671 38.000 -0.123 0.000 1.264 334 I HN 0.832 nan 8.210 nan 0.000 0.438 335 A N 5.804 128.094 122.820 -0.883 0.000 2.425 335 A HA 0.552 4.872 4.320 -0.000 0.000 0.249 335 A C -0.201 177.242 177.584 -0.235 0.000 1.084 335 A CA 0.108 51.805 52.037 -0.568 0.000 0.781 335 A CB 0.417 19.186 19.000 -0.384 0.000 1.019 335 A HN 0.788 nan 8.150 nan 0.000 0.490 336 N N 0.563 119.203 118.700 -0.100 0.000 3.116 336 N HA 0.360 5.100 4.740 -0.000 0.000 0.244 336 N C -1.003 174.446 175.510 -0.101 0.000 1.485 336 N CA -0.600 52.338 53.050 -0.187 0.000 0.884 336 N CB 0.711 38.855 38.487 -0.572 0.000 1.415 336 N HN 0.494 nan 8.380 nan 0.000 0.524 337 L N 0.128 121.144 121.223 -0.345 0.000 2.476 337 L HA 0.317 4.657 4.340 -0.000 0.000 0.255 337 L C 1.877 178.657 176.870 -0.149 0.000 1.218 337 L CA -0.038 54.583 54.840 -0.365 0.000 0.819 337 L CB 0.298 42.040 42.059 -0.528 0.000 1.119 337 L HN 0.816 nan 8.230 nan 0.000 0.485 338 G N -1.870 106.954 108.800 0.039 0.000 2.920 338 G HA2 0.030 3.990 3.960 -0.000 0.000 0.208 338 G HA3 0.030 3.990 3.960 -0.000 0.000 0.208 338 G C 0.137 175.363 174.900 0.545 0.000 1.159 338 G CA 0.421 45.742 45.100 0.368 0.000 0.784 338 G HN 0.635 nan 8.290 nan 0.000 0.535 339 H N -2.042 117.104 119.070 0.126 0.000 2.888 339 H HA 0.483 5.039 4.556 -0.000 0.000 0.267 339 H C 0.316 175.599 175.328 -0.076 0.000 1.482 339 H CA -0.348 55.811 56.048 0.185 0.000 1.165 339 H CB 0.597 30.643 29.762 0.474 0.000 1.866 339 H HN 0.112 nan 8.280 nan 0.000 0.599 340 G N 0.889 109.491 108.800 -0.329 0.000 2.539 340 G HA2 0.417 4.376 3.960 -0.000 0.000 0.258 340 G HA3 0.417 4.376 3.960 -0.000 0.000 0.258 340 G C -0.302 174.416 174.900 -0.302 0.000 1.202 340 G CA -0.568 44.339 45.100 -0.323 0.000 0.851 340 G HN 0.559 nan 8.290 nan 0.000 0.556 341 L N 0.729 121.742 121.223 -0.350 0.000 2.525 341 L HA 0.060 4.400 4.340 -0.000 0.000 0.278 341 L C 0.122 176.911 176.870 -0.136 0.000 1.218 341 L CA 0.140 54.716 54.840 -0.440 0.000 0.878 341 L CB 0.187 41.871 42.059 -0.625 0.000 1.127 341 L HN 0.475 nan 8.230 nan 0.000 0.492 342 Y N 3.209 123.321 120.300 -0.312 0.000 2.307 342 Y HA 0.149 4.699 4.550 -0.000 0.000 0.324 342 Y C -1.251 174.603 175.900 -0.078 0.000 1.238 342 Y CA -2.190 55.810 58.100 -0.168 0.000 1.280 342 Y CB 0.644 39.035 38.460 -0.114 0.000 1.248 342 Y HN 0.512 nan 8.280 nan 0.000 0.508 343 P HA -0.135 nan 4.420 nan 0.000 0.226 343 P C 0.332 177.716 177.300 0.140 0.000 1.153 343 P CA 1.280 64.449 63.100 0.115 0.000 0.777 343 P CB 0.083 31.816 31.700 0.055 0.000 0.794 344 D N -2.077 118.420 120.400 0.161 0.000 2.325 344 D HA 0.019 4.659 4.640 -0.000 0.000 0.225 344 D C 0.498 176.910 176.300 0.187 0.000 1.096 344 D CA 0.043 54.139 54.000 0.160 0.000 0.844 344 D CB -0.645 40.242 40.800 0.145 0.000 0.925 344 D HN 0.145 nan 8.370 nan 0.000 0.513 345 M N 0.547 120.232 119.600 0.141 0.000 2.255 345 M HA 0.137 4.617 4.480 -0.000 0.000 0.336 345 M C 0.055 176.400 176.300 0.076 0.000 1.135 345 M CA -0.503 54.810 55.300 0.021 0.000 1.145 345 M CB 1.067 33.520 32.600 -0.245 0.000 1.473 345 M HN -0.213 nan 8.290 nan 0.000 0.462 346 D N 2.736 123.119 120.400 -0.027 0.000 2.295 346 D HA 0.209 4.849 4.640 -0.000 0.000 0.248 346 D C -1.956 174.453 176.300 0.181 0.000 1.154 346 D CA -2.079 51.935 54.000 0.023 0.000 0.857 346 D CB 1.443 42.100 40.800 -0.238 0.000 1.117 346 D HN 0.169 nan 8.370 nan 0.000 0.468 347 P HA -0.168 nan 4.420 nan 0.000 0.217 347 P C 0.929 178.480 177.300 0.418 0.000 1.151 347 P CA 1.079 64.475 63.100 0.493 0.000 0.849 347 P CB 0.353 32.305 31.700 0.420 0.000 0.787 348 E N -1.469 118.936 120.200 0.342 0.000 2.153 348 E HA -0.196 4.154 4.350 -0.000 0.000 0.194 348 E C 1.827 178.568 176.600 0.234 0.000 0.988 348 E CA 1.301 57.884 56.400 0.304 0.000 0.811 348 E CB -0.872 28.985 29.700 0.262 0.000 0.746 348 E HN 0.498 nan 8.360 nan 0.000 0.466 349 H N -0.283 118.805 119.070 0.031 0.000 2.436 349 H HA 0.017 4.573 4.556 -0.000 0.000 0.294 349 H C 2.172 177.432 175.328 -0.114 0.000 1.048 349 H CA 0.685 56.712 56.048 -0.036 0.000 1.353 349 H CB -0.208 29.522 29.762 -0.054 0.000 1.414 349 H HN -0.066 nan 8.280 nan 0.000 0.536 350 V N 0.066 119.932 119.914 -0.080 0.000 2.307 350 V HA -0.174 3.946 4.120 -0.000 0.000 0.245 350 V C 2.659 178.455 176.094 -0.498 0.000 1.045 350 V CA 1.874 63.959 62.300 -0.357 0.000 1.024 350 V CB -1.138 30.359 31.823 -0.544 0.000 0.651 350 V HN 0.609 nan 8.190 nan 0.000 0.449 351 G N -0.024 108.493 108.800 -0.472 0.000 2.476 351 G HA2 -0.295 3.665 3.960 -0.000 0.000 0.218 351 G HA3 -0.295 3.665 3.960 -0.000 0.000 0.218 351 G C 1.785 176.643 174.900 -0.069 0.000 1.164 351 G CA 1.309 46.327 45.100 -0.136 0.000 0.768 351 G HN 0.625 nan 8.290 nan 0.000 0.560 352 A N 0.282 123.074 122.820 -0.047 0.000 1.908 352 A HA 0.021 4.341 4.320 -0.000 0.000 0.218 352 A C 2.193 179.754 177.584 -0.039 0.000 1.181 352 A CA 1.773 53.780 52.037 -0.051 0.000 0.627 352 A CB -0.570 18.374 19.000 -0.094 0.000 0.818 352 A HN 0.470 nan 8.150 nan 0.000 0.445 353 F N 0.884 120.723 119.950 -0.185 0.000 2.102 353 F HA -0.157 4.370 4.527 -0.000 0.000 0.298 353 F C 2.222 177.901 175.800 -0.203 0.000 1.105 353 F CA 1.957 59.846 58.000 -0.186 0.000 1.239 353 F CB -0.588 38.268 39.000 -0.240 0.000 0.991 353 F HN 0.024 nan 8.300 nan 0.000 0.474 354 V N 0.861 120.531 119.914 -0.407 0.000 2.287 354 V HA -0.330 3.790 4.120 -0.000 0.000 0.248 354 V C 2.199 177.992 176.094 -0.502 0.000 1.053 354 V CA 2.336 64.317 62.300 -0.532 0.000 1.027 354 V CB -0.806 30.845 31.823 -0.287 0.000 0.646 354 V HN 0.304 nan 8.190 nan 0.000 0.447 355 D N 0.285 120.543 120.400 -0.237 0.000 2.144 355 D HA -0.115 4.525 4.640 -0.000 0.000 0.199 355 D C 2.196 178.405 176.300 -0.152 0.000 0.984 355 D CA 1.627 55.553 54.000 -0.124 0.000 0.834 355 D CB -0.306 40.463 40.800 -0.051 0.000 0.955 355 D HN 0.463 nan 8.370 nan 0.000 0.465 356 A N 0.600 123.319 122.820 -0.169 0.000 1.930 356 A HA -0.102 4.218 4.320 -0.000 0.000 0.217 356 A C 2.526 180.074 177.584 -0.060 0.000 1.175 356 A CA 0.957 52.944 52.037 -0.084 0.000 0.627 356 A CB -0.625 18.406 19.000 0.052 0.000 0.815 356 A HN 0.135 nan 8.150 nan 0.000 0.443 357 V N -0.247 119.513 119.914 -0.257 0.000 2.295 357 V HA -0.311 3.809 4.120 -0.000 0.000 0.246 357 V C 2.288 178.375 176.094 -0.011 0.000 1.049 357 V CA 2.353 64.534 62.300 -0.199 0.000 1.024 357 V CB -1.208 30.339 31.823 -0.460 0.000 0.648 357 V HN 0.740 nan 8.190 nan 0.000 0.447 358 H N -0.098 118.923 119.070 -0.081 0.000 2.293 358 H HA -0.192 4.364 4.556 -0.000 0.000 0.300 358 H C 2.458 177.734 175.328 -0.087 0.000 1.082 358 H CA 1.794 57.795 56.048 -0.078 0.000 1.308 358 H CB 0.018 29.679 29.762 -0.169 0.000 1.375 358 H HN 0.318 nan 8.280 nan 0.000 0.495 359 K N 0.287 120.676 120.400 -0.018 0.000 2.009 359 K HA -0.207 4.113 4.320 -0.000 0.000 0.210 359 K C 1.961 178.487 176.600 -0.123 0.000 1.049 359 K CA 1.685 57.889 56.287 -0.138 0.000 0.929 359 K CB -0.035 32.298 32.500 -0.279 0.000 0.714 359 K HN 0.413 nan 8.250 nan 0.000 0.440 360 H N 0.062 119.149 119.070 0.028 0.000 2.423 360 H HA -0.046 4.510 4.556 -0.000 0.000 0.297 360 H C 2.448 177.811 175.328 0.059 0.000 1.075 360 H CA 1.613 57.682 56.048 0.036 0.000 1.342 360 H CB -0.127 29.653 29.762 0.029 0.000 1.395 360 H HN 0.430 nan 8.280 nan 0.000 0.530 361 S N 0.834 116.648 115.700 0.191 0.000 2.402 361 S HA -0.090 4.380 4.470 -0.000 0.000 0.229 361 S C 2.124 176.808 174.600 0.140 0.000 1.021 361 S CA 0.485 58.789 58.200 0.174 0.000 0.974 361 S CB -0.041 63.281 63.200 0.203 0.000 0.800 361 S HN 0.303 nan 8.310 nan 0.000 0.484 362 R N 1.010 121.584 120.500 0.123 0.000 2.062 362 R HA 0.148 4.488 4.340 -0.000 0.000 0.231 362 R C 2.420 178.759 176.300 0.066 0.000 1.136 362 R CA 1.559 57.711 56.100 0.087 0.000 0.948 362 R CB -0.799 29.528 30.300 0.045 0.000 0.845 362 R HN 0.376 nan 8.270 nan 0.000 0.430 363 L N 0.743 122.004 121.223 0.063 0.000 2.081 363 L HA -0.209 4.131 4.340 -0.000 0.000 0.212 363 L C 2.355 179.267 176.870 0.070 0.000 1.080 363 L CA 0.756 55.635 54.840 0.065 0.000 0.754 363 L CB -0.420 41.692 42.059 0.087 0.000 0.893 363 L HN 0.215 nan 8.230 nan 0.000 0.433 364 L N -0.648 120.625 121.223 0.083 0.000 2.376 364 L HA -0.099 4.241 4.340 -0.000 0.000 0.219 364 L C 2.361 179.254 176.870 0.038 0.000 1.133 364 L CA 1.450 56.326 54.840 0.060 0.000 0.816 364 L CB -0.384 41.715 42.059 0.067 0.000 0.933 364 L HN 0.062 nan 8.230 nan 0.000 0.449 365 R N -1.852 118.675 120.500 0.045 0.000 2.121 365 R HA 0.192 4.532 4.340 -0.000 0.000 0.206 365 R C 0.852 177.174 176.300 0.037 0.000 1.094 365 R CA 0.183 56.305 56.100 0.036 0.000 1.055 365 R CB 0.126 30.455 30.300 0.048 0.000 0.964 365 R HN 0.273 nan 8.270 nan 0.000 0.473 366 Q N 0.000 119.824 119.800 0.039 0.000 2.315 366 Q HA 0.000 4.340 4.340 -0.000 0.000 0.214 366 Q CA 0.000 55.823 55.803 0.033 0.000 1.022 366 Q CB 0.000 28.757 28.738 0.032 0.000 1.108 366 Q HN 0.000 nan 8.270 nan 0.000 0.481