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 3h6o_1_C DATA FIRST_RESID 14 DATA SEQUENCE QTQQLHAAMA DTFLEHMCRL DIDSPPITAR NTGIICTIGP ASRSVETLKE DATA SEQUENCE MIKSGMNVAR LNFSHGTHEY HAETIKNVRT ATESFASDPI LYRPVAVALD DATA SEQUENCE TKGPEIRTXX XXXXXXXXXX XXXXXXXXXX XXXXXXXXXD ENILWLDYKN DATA SEQUENCE ICKVVEVGSK IYVDDGLISL QXXXXXXXXX XXXXENGGXX XXXXGVNLPG DATA SEQUENCE AAVDLPAVSE KDIQDLKFGV EQDVDMVFAS FIRKASDVHE VRKVLGEKGK DATA SEQUENCE NIKIISKIEN HEGVRRFDEI LEASDGIMVA RGDLGIEIPA EKVFLAQKMM DATA SEQUENCE IGRCNRAGKP VICATQMLES MIKKPRPTRA EGSDVANAVL DGADCIMLSG DATA SEQUENCE ETAKGDYPLE AVRMQHLIAR EAEAAIYHLQ LFEELRRLAP ITSDPTEATA DATA SEQUENCE VGAVEASFKC CSGAIIVLTK SGRSAHQVAR YRPRAPIIAV TRNPQTARQA DATA SEQUENCE HLYRGIFPVL CKDPVQEAWA EDVDLRVNFA MNVGKARGFF KKGDVVIVLT DATA SEQUENCE GWRPGSGFTN TMRVVPVP 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 14 Q HA 0.000 nan 4.340 nan 0.000 0.214 14 Q C 0.000 176.019 176.000 0.032 0.000 1.003 14 Q CA 0.000 55.817 55.803 0.023 0.000 1.022 14 Q CB 0.000 28.738 28.738 0.000 0.000 1.108 15 T N -3.411 111.166 114.554 0.038 0.000 2.927 15 T HA 0.572 4.921 4.350 -0.001 0.000 0.281 15 T C 1.025 175.756 174.700 0.052 0.000 0.998 15 T CA 1.660 63.783 62.100 0.039 0.000 1.019 15 T CB 1.207 70.096 68.868 0.035 0.000 1.061 15 T HN 2.117 nan 8.240 nan 0.000 0.518 16 Q N 0.427 120.258 119.800 0.051 0.000 2.481 16 Q HA -0.224 4.115 4.340 -0.001 0.000 0.272 16 Q C 0.796 176.851 176.000 0.092 0.000 1.157 16 Q CA 1.728 57.570 55.803 0.065 0.000 0.935 16 Q CB -2.891 25.881 28.738 0.058 0.000 1.338 16 Q HN 1.106 nan 8.270 nan 0.000 0.494 17 Q N -2.893 116.957 119.800 0.082 0.000 2.453 17 Q HA -0.240 4.100 4.340 -0.001 0.000 0.294 17 Q C 0.964 177.041 176.000 0.127 0.000 1.295 17 Q CA 1.332 57.190 55.803 0.091 0.000 0.853 17 Q CB -2.395 26.398 28.738 0.091 0.000 1.193 17 Q HN 0.895 nan 8.270 nan 0.000 0.461 18 L N -1.376 119.920 121.223 0.121 0.000 2.240 18 L HA -0.118 4.221 4.340 -0.001 0.000 0.211 18 L C 2.238 179.198 176.870 0.149 0.000 1.106 18 L CA 1.113 56.030 54.840 0.128 0.000 0.793 18 L CB -0.259 41.859 42.059 0.098 0.000 0.927 18 L HN 0.367 nan 8.230 nan 0.000 0.446 19 H N 0.467 119.565 119.070 0.046 0.000 2.293 19 H HA -0.145 4.411 4.556 -0.001 0.000 0.300 19 H C 2.154 177.508 175.328 0.043 0.000 1.082 19 H CA 1.702 57.769 56.048 0.033 0.000 1.308 19 H CB 0.035 29.800 29.762 0.005 0.000 1.375 19 H HN 0.238 nan 8.280 nan 0.000 0.495 20 A N 0.766 123.556 122.820 -0.049 0.000 1.978 20 A HA -0.080 4.239 4.320 -0.001 0.000 0.220 20 A C 2.576 180.275 177.584 0.193 0.000 1.170 20 A CA 1.691 53.647 52.037 -0.136 0.000 0.636 20 A CB -1.273 17.530 19.000 -0.329 0.000 0.810 20 A HN 0.626 nan 8.150 nan 0.000 0.448 21 A N -1.279 121.693 122.820 0.252 0.000 2.019 21 A HA -0.045 4.274 4.320 -0.001 0.000 0.219 21 A C 1.911 179.639 177.584 0.241 0.000 1.164 21 A CA 1.663 53.901 52.037 0.335 0.000 0.644 21 A CB -0.358 18.785 19.000 0.240 0.000 0.805 21 A HN 0.414 nan 8.150 nan 0.000 0.449 22 M N -0.302 119.376 119.600 0.130 0.000 2.561 22 M HA 0.234 4.713 4.480 -0.001 0.000 0.238 22 M C 1.039 177.385 176.300 0.076 0.000 1.131 22 M CA -0.159 55.188 55.300 0.079 0.000 1.046 22 M CB -1.382 31.239 32.600 0.036 0.000 1.532 22 M HN 0.371 nan 8.290 nan 0.000 0.497 23 A N 1.146 124.029 122.820 0.105 0.000 2.488 23 A HA 0.064 4.383 4.320 -0.001 0.000 0.249 23 A C 0.816 178.511 177.584 0.185 0.000 1.083 23 A CA -0.023 52.052 52.037 0.063 0.000 0.768 23 A CB 0.118 19.104 19.000 -0.025 0.000 1.017 23 A HN 0.288 nan 8.150 nan 0.000 0.496 24 D N 0.596 121.064 120.400 0.113 0.000 2.347 24 D HA 0.006 4.645 4.640 -0.001 0.000 0.215 24 D C 0.898 177.307 176.300 0.182 0.000 0.976 24 D CA 1.710 55.793 54.000 0.138 0.000 0.884 24 D CB 0.152 40.996 40.800 0.073 0.000 0.915 24 D HN 0.751 nan 8.370 nan 0.000 0.526 25 T N -3.646 110.988 114.554 0.133 0.000 2.906 25 T HA 0.290 4.639 4.350 -0.001 0.000 0.295 25 T C 0.592 175.257 174.700 -0.058 0.000 1.075 25 T CA -0.907 61.261 62.100 0.113 0.000 1.005 25 T CB 1.456 70.357 68.868 0.055 0.000 1.136 25 T HN -0.128 nan 8.240 nan 0.000 0.498 26 F N 1.151 120.991 119.950 -0.183 0.000 2.206 26 F HA 0.079 4.605 4.527 -0.002 0.000 0.298 26 F C 1.837 177.509 175.800 -0.212 0.000 1.090 26 F CA 0.824 58.570 58.000 -0.424 0.000 1.323 26 F CB -0.169 38.728 39.000 -0.170 0.000 1.028 26 F HN 0.526 nan 8.300 nan 0.000 0.492 27 L N 1.161 122.301 121.223 -0.138 0.000 1.990 27 L HA -0.234 4.105 4.340 -0.001 0.000 0.213 27 L C 2.293 179.007 176.870 -0.259 0.000 1.072 27 L CA 2.373 57.099 54.840 -0.191 0.000 0.755 27 L CB -1.249 40.780 42.059 -0.051 0.000 0.889 27 L HN 0.252 nan 8.230 nan 0.000 0.432 28 E N -1.507 118.578 120.200 -0.192 0.000 2.204 28 E HA -0.278 4.072 4.350 -0.001 0.000 0.194 28 E C 2.196 178.639 176.600 -0.261 0.000 0.989 28 E CA 1.465 57.757 56.400 -0.180 0.000 0.824 28 E CB -0.290 29.344 29.700 -0.109 0.000 0.756 28 E HN 0.734 nan 8.360 nan 0.000 0.477 29 H N -0.400 118.385 119.070 -0.474 0.000 2.321 29 H HA -0.063 4.492 4.556 -0.001 0.000 0.300 29 H C 1.924 176.963 175.328 -0.482 0.000 1.087 29 H CA 2.437 58.158 56.048 -0.544 0.000 1.319 29 H CB -0.127 29.053 29.762 -0.970 0.000 1.379 29 H HN 0.170 nan 8.280 nan 0.000 0.501 30 M N -0.717 118.481 119.600 -0.669 0.000 2.080 30 M HA -0.226 4.253 4.480 -0.001 0.000 0.260 30 M C 2.506 178.600 176.300 -0.343 0.000 1.068 30 M CA 1.685 56.667 55.300 -0.529 0.000 1.109 30 M CB -0.305 31.997 32.600 -0.497 0.000 1.342 30 M HN 0.433 nan 8.290 nan 0.000 0.405 31 C N -0.201 118.933 119.300 -0.276 0.000 2.419 31 C HA -0.113 4.346 4.460 -0.001 0.000 0.281 31 C C 2.442 177.342 174.990 -0.151 0.000 1.336 31 C CA 0.830 59.744 59.018 -0.174 0.000 1.770 31 C CB -1.341 26.320 27.740 -0.131 0.000 1.929 31 C HN 0.458 nan 8.230 nan 0.000 0.509 32 R N -0.134 120.241 120.500 -0.208 0.000 2.317 32 R HA 0.231 4.570 4.340 -0.001 0.000 0.208 32 R C 0.167 176.390 176.300 -0.129 0.000 0.914 32 R CA -0.112 55.912 56.100 -0.126 0.000 1.060 32 R CB -0.041 30.139 30.300 -0.201 0.000 1.015 32 R HN 0.481 nan 8.270 nan 0.000 0.498 33 L N 1.917 123.008 121.223 -0.220 0.000 2.499 33 L HA -0.003 4.336 4.340 -0.001 0.000 0.273 33 L C -0.166 176.653 176.870 -0.084 0.000 1.195 33 L CA 0.359 55.093 54.840 -0.177 0.000 0.882 33 L CB 0.225 42.164 42.059 -0.200 0.000 1.133 33 L HN -0.041 nan 8.230 nan 0.000 0.483 34 D N 3.227 123.599 120.400 -0.047 0.000 2.542 34 D HA 0.193 4.833 4.640 -0.001 0.000 0.252 34 D C 0.781 177.072 176.300 -0.015 0.000 1.222 34 D CA -0.559 53.428 54.000 -0.022 0.000 0.895 34 D CB 1.259 42.059 40.800 -0.000 0.000 1.207 34 D HN 0.445 nan 8.370 nan 0.000 0.558 35 I N -0.115 120.444 120.570 -0.017 0.000 2.700 35 I HA -0.042 4.127 4.170 -0.001 0.000 0.261 35 I C 0.254 176.367 176.117 -0.007 0.000 1.219 35 I CA 0.946 62.239 61.300 -0.012 0.000 1.463 35 I CB 0.181 38.173 38.000 -0.013 0.000 1.092 35 I HN 0.054 nan 8.210 nan 0.000 0.452 36 D N 1.187 121.583 120.400 -0.007 0.000 2.339 36 D HA 0.074 4.713 4.640 -0.001 0.000 0.217 36 D C 0.652 176.952 176.300 0.000 0.000 1.050 36 D CA 0.380 54.377 54.000 -0.005 0.000 0.856 36 D CB 0.429 41.223 40.800 -0.010 0.000 0.922 36 D HN 0.247 nan 8.370 nan 0.000 0.518 37 S N 2.222 117.925 115.700 0.005 0.000 2.404 37 S HA 0.326 4.795 4.470 -0.001 0.000 0.309 37 S C -2.582 172.028 174.600 0.018 0.000 1.076 37 S CA -1.412 56.797 58.200 0.015 0.000 1.095 37 S CB 0.848 64.063 63.200 0.024 0.000 0.972 37 S HN -0.125 nan 8.310 nan 0.000 0.484 38 P HA 0.393 nan 4.420 nan 0.000 0.284 38 P C -2.675 174.640 177.300 0.025 0.000 1.253 38 P CA -1.823 61.289 63.100 0.019 0.000 0.800 38 P CB 0.289 32.000 31.700 0.019 0.000 0.961 39 P HA 0.122 nan 4.420 nan 0.000 0.274 39 P C 0.437 177.753 177.300 0.025 0.000 1.260 39 P CA -0.221 62.892 63.100 0.021 0.000 0.793 39 P CB 0.512 32.214 31.700 0.003 0.000 1.048 40 I N -2.618 117.966 120.570 0.024 0.000 3.322 40 I HA 0.139 4.308 4.170 -0.001 0.000 0.296 40 I C 1.101 177.243 176.117 0.042 0.000 1.101 40 I CA -0.389 60.931 61.300 0.032 0.000 1.166 40 I CB -0.497 37.512 38.000 0.016 0.000 1.475 40 I HN 0.154 nan 8.210 nan 0.000 0.665 41 T N 1.718 116.324 114.554 0.087 0.000 2.857 41 T HA 0.097 4.446 4.350 -0.001 0.000 0.266 41 T C 1.018 175.817 174.700 0.165 0.000 1.048 41 T CA 0.973 63.162 62.100 0.149 0.000 1.139 41 T CB -0.288 68.710 68.868 0.217 0.000 0.874 41 T HN 0.742 nan 8.240 nan 0.000 0.455 42 A N 2.152 124.990 122.820 0.031 0.000 2.477 42 A HA 0.447 4.766 4.320 -0.001 0.000 0.246 42 A C 0.517 178.044 177.584 -0.096 0.000 1.078 42 A CA -0.239 51.675 52.037 -0.204 0.000 0.770 42 A CB 0.175 18.708 19.000 -0.777 0.000 1.011 42 A HN 0.228 nan 8.150 nan 0.000 0.494 43 R N 2.575 123.059 120.500 -0.028 0.000 2.360 43 R HA 0.205 4.544 4.340 -0.001 0.000 0.318 43 R C -0.645 175.656 176.300 0.001 0.000 0.950 43 R CA -0.586 55.501 56.100 -0.022 0.000 0.837 43 R CB 0.694 30.988 30.300 -0.010 0.000 1.165 43 R HN 0.854 nan 8.270 nan 0.000 0.458 44 N N 1.186 119.881 118.700 -0.008 0.000 2.376 44 N HA -0.019 4.720 4.740 -0.001 0.000 0.177 44 N C -0.266 175.276 175.510 0.052 0.000 1.024 44 N CA 0.747 53.807 53.050 0.016 0.000 0.893 44 N CB 0.381 38.881 38.487 0.021 0.000 0.980 44 N HN 0.436 nan 8.380 nan 0.000 0.439 45 T N 0.857 115.438 114.554 0.046 0.000 2.729 45 T HA 0.381 4.730 4.350 -0.001 0.000 0.296 45 T C 0.755 175.493 174.700 0.065 0.000 0.928 45 T CA -0.616 61.514 62.100 0.050 0.000 1.045 45 T CB 1.123 70.011 68.868 0.033 0.000 0.902 45 T HN 0.106 nan 8.240 nan 0.000 0.500 46 G N 2.973 111.818 108.800 0.075 0.000 2.432 46 G HA2 0.445 4.404 3.960 -0.001 0.000 0.239 46 G HA3 0.445 4.404 3.960 -0.001 0.000 0.239 46 G C -0.302 174.626 174.900 0.047 0.000 1.291 46 G CA -0.482 44.664 45.100 0.078 0.000 0.863 46 G HN 0.762 nan 8.290 nan 0.000 0.560 47 I N 1.955 122.542 120.570 0.028 0.000 2.354 47 I HA 0.315 4.484 4.170 -0.001 0.000 0.292 47 I C -0.104 176.027 176.117 0.023 0.000 0.989 47 I CA -0.457 60.861 61.300 0.030 0.000 1.188 47 I CB 1.705 39.727 38.000 0.038 0.000 1.342 47 I HN 0.217 nan 8.210 nan 0.000 0.457 48 I N 5.675 126.276 120.570 0.052 0.000 2.354 48 I HA 0.373 4.542 4.170 -0.001 0.000 0.292 48 I C -0.710 175.460 176.117 0.088 0.000 0.989 48 I CA -0.422 60.931 61.300 0.088 0.000 1.188 48 I CB 1.492 39.581 38.000 0.149 0.000 1.342 48 I HN 0.515 nan 8.210 nan 0.000 0.457 49 C N 3.882 123.232 119.300 0.082 0.000 2.345 49 C HA 0.457 4.916 4.460 -0.001 0.000 0.323 49 C C 0.576 175.624 174.990 0.096 0.000 1.276 49 C CA -0.601 58.464 59.018 0.079 0.000 1.543 49 C CB 1.188 28.961 27.740 0.056 0.000 2.211 49 C HN 0.688 nan 8.230 nan 0.000 0.493 50 T N 4.831 119.449 114.554 0.107 0.000 2.869 50 T HA 0.410 4.759 4.350 -0.001 0.000 0.295 50 T C 0.099 174.862 174.700 0.105 0.000 0.987 50 T CA -0.100 62.071 62.100 0.119 0.000 1.109 50 T CB 0.251 69.197 68.868 0.130 0.000 0.932 50 T HN 0.359 nan 8.240 nan 0.000 0.518 51 I N 2.547 123.186 120.570 0.116 0.000 2.412 51 I HA 0.716 4.885 4.170 -0.001 0.000 0.296 51 I C 0.817 177.015 176.117 0.135 0.000 0.987 51 I CA -0.452 60.910 61.300 0.103 0.000 1.180 51 I CB 0.970 39.021 38.000 0.085 0.000 1.340 51 I HN 0.841 nan 8.210 nan 0.000 0.455 52 G N 5.747 114.616 108.800 0.114 0.000 2.871 52 G HA2 0.468 4.428 3.960 -0.001 0.000 0.282 52 G HA3 0.468 4.428 3.960 -0.001 0.000 0.282 52 G C -2.590 172.377 174.900 0.112 0.000 1.212 52 G CA -0.342 44.845 45.100 0.145 0.000 0.812 52 G HN 0.278 nan 8.290 nan 0.000 0.547 53 P HA -0.003 nan 4.420 nan 0.000 0.218 53 P C 1.892 179.211 177.300 0.032 0.000 1.148 53 P CA 2.169 65.310 63.100 0.068 0.000 0.822 53 P CB 0.107 31.832 31.700 0.042 0.000 0.784 54 A N -0.444 122.392 122.820 0.026 0.000 2.067 54 A HA -0.049 4.270 4.320 -0.001 0.000 0.219 54 A C 1.668 179.260 177.584 0.014 0.000 1.158 54 A CA 1.791 53.834 52.037 0.009 0.000 0.661 54 A CB -0.802 18.202 19.000 0.007 0.000 0.801 54 A HN 0.327 nan 8.150 nan 0.000 0.452 55 S N -2.287 113.429 115.700 0.026 0.000 3.073 55 S HA 0.308 4.777 4.470 -0.001 0.000 0.252 55 S C 0.700 175.312 174.600 0.020 0.000 0.953 55 S CA 0.020 58.236 58.200 0.026 0.000 1.105 55 S CB -0.016 63.207 63.200 0.039 0.000 1.070 55 S HN 0.596 nan 8.310 nan 0.000 0.574 56 R N 1.861 122.365 120.500 0.007 0.000 2.316 56 R HA 0.246 4.585 4.340 -0.001 0.000 0.201 56 R C 0.452 176.734 176.300 -0.030 0.000 0.888 56 R CA 0.718 56.806 56.100 -0.020 0.000 1.041 56 R CB 0.183 30.453 30.300 -0.050 0.000 1.115 56 R HN 0.444 nan 8.270 nan 0.000 0.559 57 S N -0.064 115.625 115.700 -0.017 0.000 2.573 57 S HA 0.035 4.505 4.470 -0.001 0.000 0.277 57 S C 1.453 176.047 174.600 -0.010 0.000 1.346 57 S CA -0.541 57.649 58.200 -0.017 0.000 1.034 57 S CB 1.666 64.860 63.200 -0.011 0.000 0.879 57 S HN -0.004 nan 8.310 nan 0.000 0.528 58 V N 2.613 122.519 119.914 -0.014 0.000 2.332 58 V HA -0.181 3.938 4.120 -0.001 0.000 0.248 58 V C 3.267 179.358 176.094 -0.005 0.000 1.055 58 V CA 2.658 64.952 62.300 -0.011 0.000 1.038 58 V CB -2.103 29.708 31.823 -0.021 0.000 0.651 58 V HN 1.047 nan 8.190 nan 0.000 0.450 59 E N -0.008 120.188 120.200 -0.007 0.000 2.038 59 E HA -0.327 4.022 4.350 -0.001 0.000 0.195 59 E C 2.149 178.757 176.600 0.014 0.000 1.000 59 E CA 2.379 58.778 56.400 -0.001 0.000 0.803 59 E CB -1.444 28.254 29.700 -0.003 0.000 0.750 59 E HN 0.701 nan 8.360 nan 0.000 0.448 60 T N 0.694 115.255 114.554 0.012 0.000 2.821 60 T HA 0.022 4.371 4.350 -0.001 0.000 0.267 60 T C 2.160 176.879 174.700 0.032 0.000 1.046 60 T CA 1.132 63.244 62.100 0.020 0.000 1.139 60 T CB -0.217 68.659 68.868 0.013 0.000 0.871 60 T HN 0.318 nan 8.240 nan 0.000 0.454 61 L N 0.402 121.644 121.223 0.032 0.000 2.093 61 L HA -0.076 4.263 4.340 -0.001 0.000 0.208 61 L C 2.651 179.571 176.870 0.083 0.000 1.085 61 L CA 1.320 56.188 54.840 0.047 0.000 0.755 61 L CB -0.400 41.682 42.059 0.038 0.000 0.904 61 L HN 0.210 nan 8.230 nan 0.000 0.435 62 K N -0.325 120.131 120.400 0.094 0.000 2.063 62 K HA -0.181 4.138 4.320 -0.001 0.000 0.208 62 K C 2.022 178.736 176.600 0.190 0.000 1.048 62 K CA 1.219 57.619 56.287 0.188 0.000 0.928 62 K CB -0.056 32.498 32.500 0.091 0.000 0.713 62 K HN 0.239 nan 8.250 nan 0.000 0.442 63 E N 0.326 120.588 120.200 0.103 0.000 2.152 63 E HA -0.092 4.257 4.350 -0.001 0.000 0.192 63 E C 1.991 178.615 176.600 0.039 0.000 0.983 63 E CA 0.810 57.252 56.400 0.069 0.000 0.818 63 E CB -0.047 29.682 29.700 0.048 0.000 0.758 63 E HN 0.313 nan 8.360 nan 0.000 0.467 64 M N 0.200 119.824 119.600 0.040 0.000 2.108 64 M HA -0.119 4.360 4.480 -0.001 0.000 0.261 64 M C 2.435 178.732 176.300 -0.005 0.000 1.066 64 M CA 1.177 56.490 55.300 0.021 0.000 1.107 64 M CB -0.738 31.879 32.600 0.029 0.000 1.356 64 M HN 0.085 nan 8.290 nan 0.000 0.406 65 I N 0.020 120.595 120.570 0.009 0.000 2.163 65 I HA -0.293 3.876 4.170 -0.001 0.000 0.240 65 I C 2.377 178.413 176.117 -0.135 0.000 1.081 65 I CA 1.254 62.522 61.300 -0.053 0.000 1.353 65 I CB -0.382 37.622 38.000 0.008 0.000 1.054 65 I HN 0.263 nan 8.210 nan 0.000 0.407 66 K N 0.426 120.762 120.400 -0.108 0.000 2.113 66 K HA -0.150 4.169 4.320 -0.001 0.000 0.208 66 K C 2.211 178.727 176.600 -0.141 0.000 1.047 66 K CA 1.670 57.869 56.287 -0.146 0.000 0.928 66 K CB -0.201 32.273 32.500 -0.042 0.000 0.716 66 K HN 0.187 nan 8.250 nan 0.000 0.446 67 S N -0.931 114.709 115.700 -0.099 0.000 2.428 67 S HA -0.018 4.452 4.470 -0.001 0.000 0.230 67 S C 1.290 175.783 174.600 -0.178 0.000 1.014 67 S CA 1.134 59.264 58.200 -0.117 0.000 0.957 67 S CB 0.399 63.572 63.200 -0.046 0.000 0.784 67 S HN 0.638 nan 8.310 nan 0.000 0.499 68 G N 0.577 109.293 108.800 -0.139 0.000 2.456 68 G HA2 -0.132 3.827 3.960 -0.001 0.000 0.208 68 G HA3 -0.132 3.827 3.960 -0.001 0.000 0.208 68 G C 0.006 174.864 174.900 -0.070 0.000 1.004 68 G CA -0.353 44.678 45.100 -0.116 0.000 0.791 68 G HN 0.355 nan 8.290 nan 0.000 0.537 69 M N 1.346 120.903 119.600 -0.071 0.000 2.303 69 M HA 0.293 4.773 4.480 -0.001 0.000 0.350 69 M C 0.983 177.196 176.300 -0.146 0.000 1.518 69 M CA 0.768 56.027 55.300 -0.068 0.000 1.070 69 M CB 0.025 32.604 32.600 -0.035 0.000 1.910 69 M HN 0.250 nan 8.290 nan 0.000 0.458 70 N N 2.656 121.234 118.700 -0.203 0.000 2.414 70 N HA 0.156 4.895 4.740 -0.001 0.000 0.177 70 N C -0.991 174.325 175.510 -0.323 0.000 1.062 70 N CA -0.088 52.670 53.050 -0.486 0.000 0.890 70 N CB 0.888 38.980 38.487 -0.657 0.000 1.070 70 N HN 0.392 nan 8.380 nan 0.000 0.454 71 V N 0.606 120.455 119.914 -0.108 0.000 2.686 71 V HA 0.641 4.761 4.120 -0.001 0.000 0.306 71 V C -1.106 175.005 176.094 0.029 0.000 1.065 71 V CA -1.214 61.086 62.300 0.000 0.000 0.894 71 V CB 1.740 33.614 31.823 0.085 0.000 1.004 71 V HN 0.050 nan 8.190 nan 0.000 0.424 72 A N 4.550 127.387 122.820 0.028 0.000 2.280 72 A HA 0.681 5.000 4.320 -0.001 0.000 0.320 72 A C 0.054 177.654 177.584 0.027 0.000 1.366 72 A CA -0.452 51.607 52.037 0.038 0.000 0.938 72 A CB 0.203 19.225 19.000 0.037 0.000 1.157 72 A HN 0.864 nan 8.150 nan 0.000 0.536 73 R N 2.795 123.330 120.500 0.059 0.000 2.357 73 R HA 0.589 4.928 4.340 -0.001 0.000 0.296 73 R C -1.488 174.863 176.300 0.084 0.000 1.052 73 R CA -0.337 55.788 56.100 0.042 0.000 0.988 73 R CB 0.414 30.813 30.300 0.165 0.000 1.025 73 R HN 0.622 nan 8.270 nan 0.000 0.469 74 L N 4.047 125.316 121.223 0.077 0.000 2.343 74 L HA 0.330 4.669 4.340 -0.001 0.000 0.278 74 L C -0.446 176.545 176.870 0.201 0.000 0.996 74 L CA -0.861 54.074 54.840 0.159 0.000 0.831 74 L CB 1.651 43.834 42.059 0.206 0.000 1.232 74 L HN 0.581 nan 8.230 nan 0.000 0.413 75 N N 2.504 121.328 118.700 0.207 0.000 2.469 75 N HA 0.186 4.925 4.740 -0.001 0.000 0.239 75 N C 0.064 175.697 175.510 0.204 0.000 1.053 75 N CA -0.197 52.987 53.050 0.224 0.000 0.937 75 N CB 0.468 39.080 38.487 0.209 0.000 1.163 75 N HN 0.357 nan 8.380 nan 0.000 0.509 76 F N 1.355 121.275 119.950 -0.049 0.000 2.769 76 F HA 0.119 4.645 4.527 -0.001 0.000 0.304 76 F C 2.095 177.892 175.800 -0.006 0.000 1.158 76 F CA 0.018 57.999 58.000 -0.031 0.000 1.398 76 F CB -0.158 38.783 39.000 -0.099 0.000 1.094 76 F HN 0.442 nan 8.300 nan 0.000 0.553 77 S N -1.375 114.373 115.700 0.079 0.000 2.400 77 S HA -0.110 4.359 4.470 -0.001 0.000 0.232 77 S C 0.616 174.926 174.600 -0.483 0.000 1.025 77 S CA 1.119 59.211 58.200 -0.179 0.000 0.993 77 S CB -0.262 62.828 63.200 -0.182 0.000 0.808 77 S HN 0.357 nan 8.310 nan 0.000 0.478 78 H N -1.224 117.879 119.070 0.056 0.000 2.949 78 H HA 0.549 5.104 4.556 -0.001 0.000 0.356 78 H C 0.326 175.619 175.328 -0.058 0.000 1.212 78 H CA -0.159 55.874 56.048 -0.025 0.000 1.136 78 H CB 1.357 31.075 29.762 -0.074 0.000 1.869 78 H HN 0.360 nan 8.280 nan 0.000 0.556 79 G N 1.010 109.749 108.800 -0.101 0.000 2.712 79 G HA2 -0.128 3.831 3.960 -0.001 0.000 0.686 79 G HA3 -0.128 3.831 3.960 -0.001 0.000 0.686 79 G C 0.002 174.761 174.900 -0.235 0.000 1.181 79 G CA -0.362 44.488 45.100 -0.416 0.000 0.762 79 G HN 0.818 nan 8.290 nan 0.000 0.641 80 T N -1.121 113.302 114.554 -0.220 0.000 2.788 80 T HA 0.525 4.874 4.350 -0.001 0.000 0.280 80 T C 1.331 176.026 174.700 -0.008 0.000 0.984 80 T CA 0.455 62.503 62.100 -0.086 0.000 0.972 80 T CB 1.210 70.042 68.868 -0.060 0.000 1.039 80 T HN 0.668 nan 8.240 nan 0.000 0.530 81 H N -0.632 118.315 119.070 -0.205 0.000 2.389 81 H HA -0.055 4.500 4.556 -0.001 0.000 0.299 81 H C 2.302 177.566 175.328 -0.108 0.000 1.081 81 H CA 1.396 57.183 56.048 -0.435 0.000 1.345 81 H CB 0.290 29.750 29.762 -0.503 0.000 1.393 81 H HN 0.843 nan 8.280 nan 0.000 0.520 82 E N 0.646 120.921 120.200 0.126 0.000 2.051 82 E HA -0.227 4.122 4.350 -0.001 0.000 0.192 82 E C 1.948 178.609 176.600 0.103 0.000 0.991 82 E CA 0.943 57.423 56.400 0.133 0.000 0.799 82 E CB -0.136 29.620 29.700 0.093 0.000 0.748 82 E HN 0.414 nan 8.360 nan 0.000 0.449 83 Y N 1.220 121.471 120.300 -0.083 0.000 2.030 83 Y HA -0.340 4.209 4.550 -0.002 0.000 0.274 83 Y C 2.431 178.246 175.900 -0.142 0.000 1.153 83 Y CA 2.491 60.489 58.100 -0.170 0.000 1.115 83 Y CB -0.480 37.777 38.460 -0.338 0.000 0.969 83 Y HN 0.238 nan 8.280 nan 0.000 0.488 84 H N -0.417 118.683 119.070 0.049 0.000 2.387 84 H HA -0.112 4.443 4.556 -0.001 0.000 0.299 84 H C 2.349 177.766 175.328 0.148 0.000 1.090 84 H CA 1.199 57.247 56.048 0.000 0.000 1.332 84 H CB -0.899 28.764 29.762 -0.166 0.000 1.386 84 H HN 0.536 nan 8.280 nan 0.000 0.516 85 A N 0.978 124.038 122.820 0.401 0.000 1.917 85 A HA -0.232 4.087 4.320 -0.001 0.000 0.219 85 A C 2.367 180.032 177.584 0.135 0.000 1.182 85 A CA 1.987 54.245 52.037 0.367 0.000 0.633 85 A CB -0.449 18.782 19.000 0.386 0.000 0.819 85 A HN 0.508 nan 8.150 nan 0.000 0.448 86 E N -1.048 119.173 120.200 0.035 0.000 2.158 86 E HA -0.105 4.245 4.350 -0.001 0.000 0.191 86 E C 1.910 178.462 176.600 -0.079 0.000 0.982 86 E CA 1.236 57.612 56.400 -0.039 0.000 0.823 86 E CB -0.056 29.592 29.700 -0.086 0.000 0.766 86 E HN 0.613 nan 8.360 nan 0.000 0.468 87 T N 1.506 115.982 114.554 -0.130 0.000 2.684 87 T HA -0.161 4.188 4.350 -0.001 0.000 0.267 87 T C 1.918 176.619 174.700 0.001 0.000 1.036 87 T CA 1.344 63.387 62.100 -0.096 0.000 1.148 87 T CB -0.193 68.627 68.868 -0.080 0.000 0.863 87 T HN 0.186 nan 8.240 nan 0.000 0.436 88 I N 0.930 121.532 120.570 0.053 0.000 2.226 88 I HA -0.186 3.983 4.170 -0.001 0.000 0.245 88 I C 2.671 178.807 176.117 0.032 0.000 1.100 88 I CA 1.314 62.648 61.300 0.057 0.000 1.374 88 I CB -0.376 37.669 38.000 0.076 0.000 1.057 88 I HN 0.224 nan 8.210 nan 0.000 0.413 89 K N 1.155 121.569 120.400 0.025 0.000 2.044 89 K HA -0.238 4.081 4.320 -0.001 0.000 0.210 89 K C 1.852 178.457 176.600 0.008 0.000 1.049 89 K CA 1.987 58.282 56.287 0.014 0.000 0.927 89 K CB -0.049 32.457 32.500 0.010 0.000 0.713 89 K HN 0.249 nan 8.250 nan 0.000 0.443 90 N N 0.235 118.933 118.700 -0.003 0.000 2.270 90 N HA -0.094 4.645 4.740 -0.001 0.000 0.181 90 N C 1.693 177.209 175.510 0.011 0.000 1.016 90 N CA 0.872 53.919 53.050 -0.006 0.000 0.870 90 N CB -0.103 38.369 38.487 -0.025 0.000 0.979 90 N HN 0.018 nan 8.380 nan 0.000 0.431 91 V N 1.200 121.126 119.914 0.021 0.000 2.427 91 V HA -0.153 3.966 4.120 -0.001 0.000 0.248 91 V C 2.220 178.345 176.094 0.053 0.000 1.051 91 V CA 1.455 63.778 62.300 0.038 0.000 1.048 91 V CB -0.289 31.558 31.823 0.041 0.000 0.666 91 V HN 0.242 nan 8.190 nan 0.000 0.456 92 R N -0.458 120.071 120.500 0.048 0.000 2.073 92 R HA -0.085 4.254 4.340 -0.001 0.000 0.229 92 R C 2.453 178.788 176.300 0.059 0.000 1.120 92 R CA 1.719 57.856 56.100 0.063 0.000 0.967 92 R CB -0.725 29.605 30.300 0.050 0.000 0.862 92 R HN 0.459 nan 8.270 nan 0.000 0.436 93 T N 1.113 115.686 114.554 0.031 0.000 2.635 93 T HA -0.230 4.119 4.350 -0.001 0.000 0.267 93 T C 1.961 176.662 174.700 0.002 0.000 1.040 93 T CA 1.743 63.850 62.100 0.011 0.000 1.156 93 T CB -0.341 68.524 68.868 -0.004 0.000 0.863 93 T HN 0.403 nan 8.240 nan 0.000 0.430 94 A N 1.123 123.950 122.820 0.012 0.000 1.877 94 A HA -0.120 4.200 4.320 -0.001 0.000 0.216 94 A C 2.590 180.218 177.584 0.073 0.000 1.186 94 A CA 2.146 54.188 52.037 0.008 0.000 0.620 94 A CB -1.262 17.765 19.000 0.045 0.000 0.822 94 A HN 0.494 nan 8.150 nan 0.000 0.443 95 T N 0.210 114.849 114.554 0.142 0.000 2.708 95 T HA -0.105 4.244 4.350 -0.001 0.000 0.266 95 T C 1.621 176.525 174.700 0.339 0.000 1.037 95 T CA 1.527 63.769 62.100 0.236 0.000 1.146 95 T CB -0.245 68.722 68.868 0.164 0.000 0.865 95 T HN 0.453 nan 8.240 nan 0.000 0.435 96 E N 1.597 121.941 120.200 0.239 0.000 2.478 96 E HA -0.005 4.344 4.350 -0.001 0.000 0.198 96 E C 2.382 179.047 176.600 0.108 0.000 1.046 96 E CA 0.499 57.039 56.400 0.234 0.000 0.870 96 E CB -0.455 29.317 29.700 0.120 0.000 0.818 96 E HN 0.657 nan 8.360 nan 0.000 0.527 97 S N -0.385 115.292 115.700 -0.037 0.000 2.507 97 S HA -0.068 4.401 4.470 -0.001 0.000 0.235 97 S C 1.449 175.868 174.600 -0.303 0.000 0.988 97 S CA 0.421 58.483 58.200 -0.232 0.000 0.944 97 S CB -0.361 62.596 63.200 -0.405 0.000 0.762 97 S HN 0.110 nan 8.310 nan 0.000 0.526 98 F N 1.243 121.290 119.950 0.162 0.000 2.746 98 F HA 0.548 5.075 4.527 -0.001 0.000 0.297 98 F C 2.431 178.396 175.800 0.274 0.000 1.113 98 F CA -0.353 57.764 58.000 0.195 0.000 1.367 98 F CB -0.580 38.522 39.000 0.169 0.000 1.111 98 F HN 0.255 nan 8.300 nan 0.000 0.590 99 A N 0.318 123.372 122.820 0.391 0.000 2.131 99 A HA -0.205 4.114 4.320 -0.001 0.000 0.220 99 A C 2.343 179.938 177.584 0.017 0.000 1.158 99 A CA 1.823 53.883 52.037 0.038 0.000 0.665 99 A CB -1.062 17.821 19.000 -0.196 0.000 0.795 99 A HN 0.402 nan 8.150 nan 0.000 0.460 100 S N -0.278 115.464 115.700 0.070 0.000 2.374 100 S HA -0.177 4.292 4.470 -0.001 0.000 0.227 100 S C 0.814 175.447 174.600 0.055 0.000 1.037 100 S CA 1.236 59.461 58.200 0.042 0.000 1.024 100 S CB -0.368 62.858 63.200 0.043 0.000 0.861 100 S HN 0.556 nan 8.310 nan 0.000 0.456 101 D N 2.265 122.729 120.400 0.107 0.000 2.472 101 D HA 0.422 5.061 4.640 -0.001 0.000 0.234 101 D C -2.225 174.175 176.300 0.167 0.000 1.088 101 D CA -2.740 51.328 54.000 0.115 0.000 0.882 101 D CB 1.567 42.433 40.800 0.110 0.000 1.037 101 D HN -0.006 nan 8.370 nan 0.000 0.520 102 P HA 0.003 nan 4.420 nan 0.000 0.225 102 P C 1.546 179.094 177.300 0.412 0.000 1.148 102 P CA 0.533 63.773 63.100 0.233 0.000 0.779 102 P CB 0.354 32.114 31.700 0.100 0.000 0.780 103 I N -1.237 119.525 120.570 0.319 0.000 2.252 103 I HA -0.181 3.988 4.170 -0.001 0.000 0.245 103 I C 1.948 178.091 176.117 0.043 0.000 1.102 103 I CA 1.432 62.830 61.300 0.162 0.000 1.385 103 I CB -0.353 37.698 38.000 0.085 0.000 1.064 103 I HN -0.077 nan 8.210 nan 0.000 0.414 104 L N -1.159 120.115 121.223 0.085 0.000 2.590 104 L HA 0.081 4.420 4.340 -0.001 0.000 0.227 104 L C 0.654 177.557 176.870 0.056 0.000 1.099 104 L CA -0.358 54.493 54.840 0.018 0.000 0.872 104 L CB -0.203 41.857 42.059 0.001 0.000 1.088 104 L HN 0.161 nan 8.230 nan 0.000 0.479 105 Y N 2.690 123.021 120.300 0.052 0.000 2.620 105 Y HA 0.054 4.603 4.550 -0.002 0.000 0.330 105 Y C 0.321 176.252 175.900 0.052 0.000 1.186 105 Y CA -0.003 58.146 58.100 0.081 0.000 1.467 105 Y CB 0.326 38.871 38.460 0.142 0.000 1.262 105 Y HN 0.002 nan 8.280 nan 0.000 0.550 106 R N 7.708 127.843 120.500 -0.608 0.000 2.393 106 R HA 0.364 4.703 4.340 -0.001 0.000 0.315 106 R C -2.610 173.322 176.300 -0.614 0.000 0.952 106 R CA -1.963 53.881 56.100 -0.427 0.000 0.842 106 R CB 1.152 31.274 30.300 -0.297 0.000 1.163 106 R HN 0.499 nan 8.270 nan 0.000 0.450 107 P HA 0.065 nan 4.420 nan 0.000 0.271 107 P C -0.901 176.476 177.300 0.127 0.000 1.218 107 P CA -0.287 62.810 63.100 -0.004 0.000 0.780 107 P CB 0.803 32.614 31.700 0.186 0.000 0.901 108 V N 1.696 121.661 119.914 0.085 0.000 2.525 108 V HA 0.584 4.703 4.120 -0.001 0.000 0.299 108 V C 0.187 176.340 176.094 0.100 0.000 1.034 108 V CA -0.891 61.435 62.300 0.043 0.000 0.863 108 V CB 1.412 33.233 31.823 -0.003 0.000 0.999 108 V HN 0.686 nan 8.190 nan 0.000 0.423 109 A N 4.410 127.302 122.820 0.120 0.000 2.304 109 A HA 0.826 5.145 4.320 -0.001 0.000 0.271 109 A C -0.393 177.221 177.584 0.051 0.000 1.091 109 A CA -0.433 51.672 52.037 0.112 0.000 0.812 109 A CB 1.089 20.183 19.000 0.156 0.000 1.056 109 A HN 0.766 nan 8.150 nan 0.000 0.489 110 V N 1.007 120.936 119.914 0.024 0.000 2.378 110 V HA 0.595 4.714 4.120 -0.001 0.000 0.288 110 V C 0.320 176.360 176.094 -0.090 0.000 1.016 110 V CA -0.214 62.077 62.300 -0.015 0.000 0.840 110 V CB 1.029 32.851 31.823 -0.001 0.000 0.994 110 V HN 1.135 nan 8.190 nan 0.000 0.431 111 A N 5.485 128.195 122.820 -0.184 0.000 2.288 111 A HA 0.798 5.117 4.320 -0.001 0.000 0.320 111 A C -0.761 176.562 177.584 -0.434 0.000 1.217 111 A CA -0.490 51.267 52.037 -0.466 0.000 0.840 111 A CB 0.948 19.381 19.000 -0.945 0.000 1.179 111 A HN 0.917 nan 8.150 nan 0.000 0.504 112 L N 2.909 123.888 121.223 -0.407 0.000 2.260 112 L HA 0.370 4.709 4.340 -0.001 0.000 0.289 112 L C -0.710 175.952 176.870 -0.348 0.000 1.057 112 L CA -0.418 54.214 54.840 -0.347 0.000 0.811 112 L CB 0.743 42.549 42.059 -0.422 0.000 1.184 112 L HN 0.684 nan 8.230 nan 0.000 0.429 113 D N 3.902 124.201 120.400 -0.168 0.000 2.329 113 D HA 0.185 4.824 4.640 -0.001 0.000 0.232 113 D C -0.297 176.031 176.300 0.048 0.000 1.088 113 D CA -0.205 53.804 54.000 0.016 0.000 0.835 113 D CB 1.503 42.405 40.800 0.169 0.000 1.078 113 D HN 0.610 nan 8.370 nan 0.000 0.495 114 T N 0.805 115.375 114.554 0.025 0.000 2.868 114 T HA 0.156 4.505 4.350 -0.001 0.000 0.292 114 T C 1.281 176.028 174.700 0.078 0.000 1.028 114 T CA -0.533 61.579 62.100 0.019 0.000 1.059 114 T CB 2.075 70.940 68.868 -0.005 0.000 0.991 114 T HN 0.411 nan 8.240 nan 0.000 0.531 115 K N 1.548 121.995 120.400 0.079 0.000 2.025 115 K HA 0.190 4.509 4.320 -0.001 0.000 0.207 115 K C 1.139 177.743 176.600 0.007 0.000 1.049 115 K CA 1.135 57.442 56.287 0.034 0.000 0.933 115 K CB -0.993 31.515 32.500 0.015 0.000 0.714 115 K HN 1.189 nan 8.250 nan 0.000 0.438 116 G N 0.743 109.553 108.800 0.017 0.000 2.795 116 G HA2 -0.180 3.779 3.960 -0.001 0.000 0.664 116 G HA3 -0.180 3.779 3.960 -0.001 0.000 0.664 116 G C -2.723 172.158 174.900 -0.032 0.000 1.381 116 G CA -0.448 44.662 45.100 0.018 0.000 0.853 116 G HN 0.216 nan 8.290 nan 0.000 0.545 117 P HA 0.353 nan 4.420 nan 0.000 0.269 117 P C -0.228 176.906 177.300 -0.276 0.000 1.215 117 P CA 0.453 63.495 63.100 -0.096 0.000 0.780 117 P CB 0.940 32.637 31.700 -0.006 0.000 0.898 118 E N 0.796 120.849 120.200 -0.245 0.000 2.433 118 E HA 0.550 4.899 4.350 -0.001 0.000 0.278 118 E C -0.763 175.695 176.600 -0.238 0.000 0.976 118 E CA -0.826 55.403 56.400 -0.284 0.000 0.793 118 E CB 1.908 31.501 29.700 -0.179 0.000 1.311 118 E HN 0.341 nan 8.360 nan 0.000 0.460 119 I N 1.848 122.278 120.570 -0.234 0.000 2.389 119 I HA 0.453 4.623 4.170 -0.001 0.000 0.288 119 I C -0.161 175.891 176.117 -0.108 0.000 0.999 119 I CA -0.812 60.388 61.300 -0.167 0.000 1.129 119 I CB 0.979 38.869 38.000 -0.183 0.000 1.288 119 I HN 0.169 nan 8.210 nan 0.000 0.444 120 R N 2.978 123.430 120.500 -0.080 0.000 2.939 120 R HA 0.728 5.067 4.340 -0.001 0.000 0.254 120 R C -0.252 176.038 176.300 -0.018 0.000 1.123 120 R CA -0.657 55.426 56.100 -0.029 0.000 1.020 120 R CB 2.173 32.480 30.300 0.012 0.000 1.206 120 R HN 0.735 nan 8.270 nan 0.000 0.491 154 E N -0.818 119.399 120.200 0.028 0.000 2.209 154 E HA -0.127 4.222 4.350 -0.001 0.000 0.196 154 E C 1.775 178.392 176.600 0.028 0.000 0.993 154 E CA 2.650 59.067 56.400 0.027 0.000 0.819 154 E CB -1.703 28.009 29.700 0.021 0.000 0.745 154 E HN 0.680 nan 8.360 nan 0.000 0.477 155 N N -0.246 118.470 118.700 0.027 0.000 2.051 155 N HA 0.341 5.080 4.740 -0.001 0.000 0.192 155 N C 1.269 176.800 175.510 0.035 0.000 1.049 155 N CA 2.460 55.527 53.050 0.027 0.000 0.845 155 N CB -0.376 38.126 38.487 0.023 0.000 1.031 155 N HN 1.215 nan 8.380 nan 0.000 0.425 156 I N -0.251 120.345 120.570 0.043 0.000 2.465 156 I HA 0.790 4.959 4.170 -0.001 0.000 0.291 156 I C -0.774 175.391 176.117 0.081 0.000 1.014 156 I CA -1.002 60.333 61.300 0.059 0.000 1.093 156 I CB 0.958 38.994 38.000 0.061 0.000 1.267 156 I HN 0.556 nan 8.210 nan 0.000 0.431 157 L N 5.430 126.709 121.223 0.093 0.000 2.362 157 L HA 0.859 5.198 4.340 -0.001 0.000 0.275 157 L C -0.879 176.094 176.870 0.171 0.000 0.998 157 L CA -0.745 54.167 54.840 0.121 0.000 0.820 157 L CB 1.647 43.754 42.059 0.080 0.000 1.270 157 L HN 0.859 nan 8.230 nan 0.000 0.415 158 W N 6.418 127.727 121.300 0.015 0.000 2.469 158 W HA 0.722 5.381 4.660 -0.001 0.000 0.320 158 W C -1.201 175.332 176.519 0.023 0.000 1.086 158 W CA -0.276 57.079 57.345 0.016 0.000 1.211 158 W CB 1.424 30.891 29.460 0.012 0.000 1.298 158 W HN 0.679 nan 8.180 nan 0.000 0.525 159 L N 3.714 124.489 121.223 -0.747 0.000 2.309 159 L HA 0.547 4.886 4.340 -0.001 0.000 0.261 159 L C 0.449 176.510 176.870 -1.350 0.000 1.021 159 L CA -0.367 53.998 54.840 -0.791 0.000 0.823 159 L CB 1.647 43.506 42.059 -0.333 0.000 1.366 159 L HN 0.652 nan 8.230 nan 0.000 0.423 160 D N -1.751 118.131 120.400 -0.863 0.000 2.349 160 D HA -0.004 4.635 4.640 -0.001 0.000 0.214 160 D C 0.298 176.485 176.300 -0.188 0.000 1.063 160 D CA 0.284 53.923 54.000 -0.601 0.000 0.847 160 D CB -0.204 40.447 40.800 -0.248 0.000 0.933 160 D HN 0.631 nan 8.370 nan 0.000 0.513 161 Y N 2.005 122.134 120.300 -0.285 0.000 2.556 161 Y HA 0.187 4.736 4.550 -0.001 0.000 0.352 161 Y C 1.126 176.945 175.900 -0.135 0.000 1.006 161 Y CA -0.680 57.325 58.100 -0.159 0.000 1.277 161 Y CB 0.647 39.031 38.460 -0.128 0.000 1.136 161 Y HN -0.292 nan 8.280 nan 0.000 0.523 162 K N 2.828 123.082 120.400 -0.244 0.000 2.148 162 K HA -0.128 4.191 4.320 -0.001 0.000 0.204 162 K C 0.701 177.057 176.600 -0.406 0.000 1.050 162 K CA 0.904 57.035 56.287 -0.259 0.000 0.942 162 K CB 0.100 32.532 32.500 -0.113 0.000 0.724 162 K HN 0.581 nan 8.250 nan 0.000 0.446 163 N N 1.243 119.518 118.700 -0.708 0.000 2.313 163 N HA 0.063 4.802 4.740 -0.001 0.000 0.207 163 N C 1.107 176.205 175.510 -0.686 0.000 1.141 163 N CA 0.080 52.780 53.050 -0.584 0.000 0.830 163 N CB 0.077 38.348 38.487 -0.361 0.000 1.008 163 N HN 0.188 nan 8.380 nan 0.000 0.481 164 I N -0.523 119.562 120.570 -0.810 0.000 2.361 164 I HA -0.326 3.844 4.170 -0.001 0.000 0.251 164 I C 1.556 177.577 176.117 -0.160 0.000 1.133 164 I CA 0.944 62.007 61.300 -0.396 0.000 1.413 164 I CB 0.149 38.043 38.000 -0.177 0.000 1.073 164 I HN 0.164 nan 8.210 nan 0.000 0.424 165 C N 1.175 120.378 119.300 -0.162 0.000 2.432 165 C HA -0.179 4.280 4.460 -0.001 0.000 0.277 165 C C 3.175 178.124 174.990 -0.069 0.000 1.249 165 C CA 1.671 60.634 59.018 -0.091 0.000 1.725 165 C CB -1.368 26.323 27.740 -0.081 0.000 2.028 165 C HN 0.613 nan 8.230 nan 0.000 0.477 166 K N 0.117 120.467 120.400 -0.084 0.000 2.026 166 K HA -0.010 4.309 4.320 -0.001 0.000 0.208 166 K C 1.962 178.547 176.600 -0.024 0.000 1.048 166 K CA 2.061 58.318 56.287 -0.051 0.000 0.929 166 K CB -1.453 31.014 32.500 -0.055 0.000 0.713 166 K HN 0.598 nan 8.250 nan 0.000 0.439 167 V N -0.094 119.813 119.914 -0.012 0.000 3.141 167 V HA 0.482 4.602 4.120 -0.001 0.000 0.265 167 V C 1.400 177.511 176.094 0.028 0.000 1.126 167 V CA 1.725 64.049 62.300 0.040 0.000 1.141 167 V CB -1.023 30.883 31.823 0.138 0.000 0.743 167 V HN 0.684 nan 8.190 nan 0.000 0.492 168 V N -1.059 118.859 119.914 0.007 0.000 2.864 168 V HA 0.989 5.109 4.120 -0.001 0.000 0.314 168 V C -0.324 175.761 176.094 -0.014 0.000 1.073 168 V CA -0.287 62.010 62.300 -0.004 0.000 0.956 168 V CB 1.461 33.282 31.823 -0.004 0.000 1.023 168 V HN 0.643 nan 8.190 nan 0.000 0.435 169 E N 1.495 121.685 120.200 -0.017 0.000 2.369 169 E HA 0.870 5.219 4.350 -0.001 0.000 0.270 169 E C -0.282 176.309 176.600 -0.016 0.000 0.909 169 E CA -0.429 55.961 56.400 -0.016 0.000 0.775 169 E CB 1.286 30.977 29.700 -0.015 0.000 1.270 169 E HN 2.574 nan 8.360 nan 0.000 0.445 170 V N 0.295 120.202 119.914 -0.012 0.000 2.509 170 V HA 0.461 4.580 4.120 -0.001 0.000 0.297 170 V C 1.656 177.744 176.094 -0.010 0.000 1.014 170 V CA 1.919 64.213 62.300 -0.009 0.000 1.127 170 V CB -0.321 31.498 31.823 -0.006 0.000 0.925 170 V HN 2.151 nan 8.190 nan 0.000 0.480 171 G N 2.468 111.263 108.800 -0.009 0.000 2.284 171 G HA2 0.116 4.075 3.960 -0.001 0.000 0.216 171 G HA3 0.116 4.075 3.960 -0.001 0.000 0.216 171 G C 0.774 175.663 174.900 -0.017 0.000 1.009 171 G CA 0.467 45.561 45.100 -0.009 0.000 0.625 171 G HN 2.429 nan 8.290 nan 0.000 0.501 172 S N 0.759 116.444 115.700 -0.026 0.000 2.572 172 S HA 0.646 5.115 4.470 -0.001 0.000 0.279 172 S C 0.277 174.848 174.600 -0.048 0.000 1.341 172 S CA 0.757 58.929 58.200 -0.045 0.000 1.043 172 S CB 0.362 63.534 63.200 -0.047 0.000 0.887 172 S HN 0.536 nan 8.310 nan 0.000 0.516 173 K N 0.942 121.289 120.400 -0.089 0.000 2.156 173 K HA 0.707 5.026 4.320 -0.001 0.000 0.254 173 K C -1.095 175.377 176.600 -0.213 0.000 0.950 173 K CA -0.275 55.951 56.287 -0.102 0.000 0.849 173 K CB 1.448 33.905 32.500 -0.071 0.000 1.100 173 K HN 0.617 nan 8.250 nan 0.000 0.434 174 I N 3.059 123.555 120.570 -0.124 0.000 2.447 174 I HA 0.294 4.463 4.170 -0.001 0.000 0.287 174 I C -0.923 175.233 176.117 0.065 0.000 1.023 174 I CA -0.836 60.398 61.300 -0.111 0.000 1.083 174 I CB 1.166 39.153 38.000 -0.022 0.000 1.245 174 I HN 0.512 nan 8.210 nan 0.000 0.434 175 Y N 4.837 125.140 120.300 0.005 0.000 2.361 175 Y HA 0.693 5.242 4.550 -0.002 0.000 0.332 175 Y C 0.009 175.909 175.900 0.000 0.000 1.101 175 Y CA -1.314 56.789 58.100 0.004 0.000 1.137 175 Y CB 2.169 40.633 38.460 0.007 0.000 1.207 175 Y HN 0.172 nan 8.280 nan 0.000 0.463 176 V N 1.450 121.465 119.914 0.168 0.000 2.823 176 V HA 0.197 4.317 4.120 -0.001 0.000 0.312 176 V C -0.508 175.624 176.094 0.062 0.000 1.072 176 V CA -0.977 61.376 62.300 0.087 0.000 0.937 176 V CB 1.676 33.536 31.823 0.063 0.000 1.013 176 V HN 0.920 nan 8.190 nan 0.000 0.430 177 D N 3.073 123.500 120.400 0.045 0.000 2.812 177 D HA -0.168 4.471 4.640 -0.001 0.000 0.237 177 D C 0.084 176.402 176.300 0.030 0.000 1.162 177 D CA 1.091 55.111 54.000 0.033 0.000 0.740 177 D CB -1.009 39.806 40.800 0.026 0.000 1.000 177 D HN 0.906 nan 8.370 nan 0.000 0.416 178 D N -0.041 120.382 120.400 0.040 0.000 2.697 178 D HA -0.093 4.546 4.640 -0.001 0.000 0.238 178 D C 1.312 177.624 176.300 0.020 0.000 1.152 178 D CA 2.435 56.459 54.000 0.039 0.000 0.666 178 D CB -1.402 39.415 40.800 0.028 0.000 1.037 178 D HN 0.990 nan 8.370 nan 0.000 0.423 179 G N -1.173 107.646 108.800 0.030 0.000 2.166 179 G HA2 -0.382 3.577 3.960 -0.001 0.000 0.260 179 G HA3 -0.382 3.577 3.960 -0.001 0.000 0.260 179 G C 0.976 175.783 174.900 -0.155 0.000 0.986 179 G CA 0.663 45.694 45.100 -0.115 0.000 0.683 179 G HN 0.542 nan 8.290 nan 0.000 0.527 180 L N -0.201 120.985 121.223 -0.062 0.000 2.179 180 L HA 0.482 4.821 4.340 -0.001 0.000 0.208 180 L C 1.358 178.199 176.870 -0.048 0.000 1.096 180 L CA 1.181 55.990 54.840 -0.052 0.000 0.779 180 L CB 0.132 42.179 42.059 -0.019 0.000 0.922 180 L HN 0.410 nan 8.230 nan 0.000 0.443 181 I N -1.479 119.078 120.570 -0.023 0.000 2.603 181 I HA 0.340 4.509 4.170 -0.001 0.000 0.300 181 I C -0.236 175.898 176.117 0.029 0.000 1.017 181 I CA -0.489 60.813 61.300 0.002 0.000 1.098 181 I CB 1.878 39.895 38.000 0.029 0.000 1.279 181 I HN -0.212 nan 8.210 nan 0.000 0.437 182 S N 5.588 121.317 115.700 0.049 0.000 2.547 182 S HA 0.806 5.275 4.470 -0.001 0.000 0.281 182 S C -1.160 173.517 174.600 0.130 0.000 1.118 182 S CA -0.505 57.786 58.200 0.151 0.000 0.947 182 S CB 0.984 64.221 63.200 0.061 0.000 1.053 182 S HN 0.458 nan 8.310 nan 0.000 0.482 183 L N 3.283 124.598 121.223 0.154 0.000 2.388 183 L HA 0.601 4.940 4.340 -0.001 0.000 0.264 183 L C -0.112 176.799 176.870 0.069 0.000 0.998 183 L CA -0.716 54.175 54.840 0.085 0.000 0.817 183 L CB 2.188 44.283 42.059 0.061 0.000 1.338 183 L HN 0.643 nan 8.230 nan 0.000 0.414 199 N N 1.207 119.911 118.700 0.008 0.000 2.442 199 N HA 0.577 5.316 4.740 -0.001 0.000 0.274 199 N C -0.105 175.404 175.510 -0.002 0.000 1.002 199 N CA 0.031 53.075 53.050 -0.009 0.000 0.910 199 N CB 1.609 40.072 38.487 -0.040 0.000 1.244 199 N HN 0.262 nan 8.380 nan 0.000 0.492 200 G N -0.552 108.249 108.800 0.000 0.000 2.510 200 G HA2 0.886 4.845 3.960 -0.001 0.000 0.280 200 G HA3 0.886 4.845 3.960 -0.001 0.000 0.280 200 G C 0.711 175.611 174.900 0.001 0.000 1.386 200 G CA 0.114 45.217 45.100 0.005 0.000 1.047 200 G HN 1.843 nan 8.290 nan 0.000 0.527 209 V N 2.171 122.064 119.914 -0.035 0.000 2.435 209 V HA 0.565 4.684 4.120 -0.001 0.000 0.290 209 V C -0.273 175.796 176.094 -0.042 0.000 1.030 209 V CA -0.936 61.352 62.300 -0.021 0.000 0.881 209 V CB 1.860 33.662 31.823 -0.035 0.000 0.983 209 V HN 0.679 nan 8.190 nan 0.000 0.445 210 N N 3.755 122.458 118.700 0.004 0.000 2.314 210 N HA 0.643 5.382 4.740 -0.001 0.000 0.304 210 N C -0.989 174.462 175.510 -0.098 0.000 1.073 210 N CA -0.583 52.460 53.050 -0.011 0.000 0.822 210 N CB 2.091 40.630 38.487 0.087 0.000 1.280 210 N HN 0.544 nan 8.380 nan 0.000 0.489 211 L N 2.526 123.696 121.223 -0.088 0.000 2.506 211 L HA 0.408 4.747 4.340 -0.001 0.000 0.247 211 L C -2.177 174.601 176.870 -0.153 0.000 1.141 211 L CA -1.704 53.061 54.840 -0.125 0.000 0.973 211 L CB 0.566 42.602 42.059 -0.038 0.000 1.319 211 L HN 0.280 nan 8.230 nan 0.000 0.455 212 P HA -0.033 nan 4.420 nan 0.000 0.258 212 P C 0.998 178.180 177.300 -0.196 0.000 1.172 212 P CA 0.981 63.932 63.100 -0.248 0.000 0.762 212 P CB 0.835 32.276 31.700 -0.432 0.000 0.764 213 G N 1.977 110.678 108.800 -0.165 0.000 2.155 213 G HA2 -0.130 3.829 3.960 -0.001 0.000 0.257 213 G HA3 -0.130 3.829 3.960 -0.001 0.000 0.257 213 G C 0.296 175.123 174.900 -0.121 0.000 0.983 213 G CA 0.114 45.050 45.100 -0.274 0.000 0.676 213 G HN 0.910 nan 8.290 nan 0.000 0.528 214 A N -0.372 122.414 122.820 -0.057 0.000 2.312 214 A HA 0.932 5.251 4.320 -0.001 0.000 0.328 214 A C 0.556 178.146 177.584 0.011 0.000 1.158 214 A CA 0.456 52.483 52.037 -0.016 0.000 0.821 214 A CB 1.350 20.349 19.000 -0.003 0.000 1.170 214 A HN 1.964 nan 8.150 nan 0.000 0.490 215 A N 2.042 124.875 122.820 0.021 0.000 2.671 215 A HA 0.508 4.827 4.320 -0.001 0.000 0.306 215 A C -0.095 177.519 177.584 0.050 0.000 1.473 215 A CA -0.229 51.819 52.037 0.019 0.000 1.155 215 A CB -0.810 18.202 19.000 0.019 0.000 1.123 215 A HN 0.867 nan 8.150 nan 0.000 0.545 216 V N 3.563 123.496 119.914 0.032 0.000 2.455 216 V HA 0.105 4.224 4.120 -0.001 0.000 0.273 216 V C 0.667 176.802 176.094 0.069 0.000 1.045 216 V CA 0.168 62.499 62.300 0.053 0.000 0.976 216 V CB 1.081 32.922 31.823 0.030 0.000 0.993 216 V HN 0.954 nan 8.190 nan 0.000 0.475 217 D N 3.897 124.397 120.400 0.168 0.000 2.395 217 D HA 0.100 4.739 4.640 -0.001 0.000 0.226 217 D C 0.391 176.786 176.300 0.158 0.000 1.146 217 D CA -0.295 53.794 54.000 0.149 0.000 0.830 217 D CB -0.093 40.799 40.800 0.153 0.000 0.958 217 D HN 0.419 nan 8.370 nan 0.000 0.501 218 L N 0.862 122.148 121.223 0.106 0.000 2.492 218 L HA 0.160 4.499 4.340 -0.001 0.000 0.280 218 L C -1.493 175.430 176.870 0.089 0.000 1.240 218 L CA -1.267 53.623 54.840 0.083 0.000 0.831 218 L CB -0.124 41.927 42.059 -0.013 0.000 1.100 218 L HN 0.013 nan 8.230 nan 0.000 0.505 219 P HA 0.019 nan 4.420 nan 0.000 0.272 219 P C 0.041 177.382 177.300 0.069 0.000 1.223 219 P CA -0.233 62.906 63.100 0.065 0.000 0.784 219 P CB 0.875 32.608 31.700 0.056 0.000 0.923 220 A N 3.212 126.064 122.820 0.054 0.000 1.927 220 A HA -0.099 4.221 4.320 -0.001 0.000 0.220 220 A C 1.096 178.715 177.584 0.058 0.000 1.185 220 A CA 2.333 54.399 52.037 0.048 0.000 0.639 220 A CB -1.140 17.876 19.000 0.027 0.000 0.820 220 A HN 0.588 nan 8.150 nan 0.000 0.451 221 V N -2.762 117.182 119.914 0.049 0.000 2.760 221 V HA 0.665 4.784 4.120 -0.001 0.000 0.309 221 V C -0.099 176.020 176.094 0.040 0.000 1.077 221 V CA -0.477 61.849 62.300 0.044 0.000 0.910 221 V CB 1.214 33.057 31.823 0.035 0.000 1.008 221 V HN 0.617 nan 8.190 nan 0.000 0.424 222 S N 2.178 117.899 115.700 0.035 0.000 2.626 222 S HA 0.243 4.713 4.470 -0.001 0.000 0.257 222 S C 1.010 175.631 174.600 0.034 0.000 1.288 222 S CA 0.369 58.588 58.200 0.031 0.000 0.980 222 S CB 1.066 64.278 63.200 0.019 0.000 0.975 222 S HN 0.906 nan 8.310 nan 0.000 0.577 223 E N 0.374 120.594 120.200 0.033 0.000 2.077 223 E HA -0.140 4.209 4.350 -0.001 0.000 0.193 223 E C 2.035 178.660 176.600 0.041 0.000 0.989 223 E CA 1.497 57.919 56.400 0.036 0.000 0.800 223 E CB -0.667 29.052 29.700 0.032 0.000 0.746 223 E HN 0.774 nan 8.360 nan 0.000 0.452 224 K N 0.559 120.983 120.400 0.039 0.000 2.063 224 K HA -0.233 4.086 4.320 -0.001 0.000 0.208 224 K C 1.855 178.501 176.600 0.076 0.000 1.048 224 K CA 1.959 58.278 56.287 0.054 0.000 0.928 224 K CB -0.255 32.272 32.500 0.045 0.000 0.713 224 K HN 0.112 nan 8.250 nan 0.000 0.442 225 D N 0.818 121.250 120.400 0.054 0.000 2.133 225 D HA -0.192 4.447 4.640 -0.001 0.000 0.195 225 D C 1.890 178.214 176.300 0.039 0.000 0.997 225 D CA 1.321 55.344 54.000 0.038 0.000 0.840 225 D CB -0.161 40.655 40.800 0.028 0.000 0.947 225 D HN 0.338 nan 8.370 nan 0.000 0.452 226 I N 0.293 120.893 120.570 0.049 0.000 2.179 226 I HA -0.284 3.886 4.170 -0.001 0.000 0.242 226 I C 2.178 178.341 176.117 0.077 0.000 1.088 226 I CA 1.159 62.490 61.300 0.051 0.000 1.357 226 I CB -0.121 37.907 38.000 0.047 0.000 1.051 226 I HN -0.089 nan 8.210 nan 0.000 0.409 227 Q N 0.321 120.187 119.800 0.111 0.000 2.297 227 Q HA -0.159 4.180 4.340 -0.001 0.000 0.204 227 Q C 1.627 177.796 176.000 0.283 0.000 0.962 227 Q CA 1.058 56.973 55.803 0.186 0.000 0.879 227 Q CB -0.073 28.772 28.738 0.177 0.000 0.947 227 Q HN 0.416 nan 8.270 nan 0.000 0.462 228 D N -0.137 120.388 120.400 0.208 0.000 2.123 228 D HA -0.076 4.564 4.640 -0.001 0.000 0.200 228 D C 1.682 177.948 176.300 -0.057 0.000 0.976 228 D CA 0.806 54.869 54.000 0.105 0.000 0.831 228 D CB -0.024 40.786 40.800 0.018 0.000 0.974 228 D HN 0.215 nan 8.370 nan 0.000 0.469 229 L N 0.736 121.932 121.223 -0.045 0.000 2.056 229 L HA -0.138 4.201 4.340 -0.001 0.000 0.207 229 L C 2.473 179.336 176.870 -0.013 0.000 1.078 229 L CA 1.058 55.861 54.840 -0.061 0.000 0.749 229 L CB -0.379 41.658 42.059 -0.037 0.000 0.901 229 L HN -0.010 nan 8.230 nan 0.000 0.433 230 K N 0.270 120.697 120.400 0.045 0.000 2.044 230 K HA -0.286 4.033 4.320 -0.001 0.000 0.210 230 K C 2.244 178.887 176.600 0.071 0.000 1.049 230 K CA 2.090 58.416 56.287 0.065 0.000 0.927 230 K CB -0.317 32.247 32.500 0.108 0.000 0.713 230 K HN 0.141 nan 8.250 nan 0.000 0.443 231 F N 1.017 120.932 119.950 -0.057 0.000 2.134 231 F HA -0.087 4.439 4.527 -0.001 0.000 0.299 231 F C 1.977 177.699 175.800 -0.130 0.000 1.097 231 F CA 1.972 59.898 58.000 -0.124 0.000 1.264 231 F CB -0.726 38.041 39.000 -0.388 0.000 1.001 231 F HN 0.126 nan 8.300 nan 0.000 0.479 232 G N 0.027 108.772 108.800 -0.092 0.000 2.440 232 G HA2 -0.227 3.732 3.960 -0.001 0.000 0.218 232 G HA3 -0.227 3.732 3.960 -0.001 0.000 0.218 232 G C 1.748 176.539 174.900 -0.182 0.000 1.154 232 G CA 1.213 46.202 45.100 -0.185 0.000 0.767 232 G HN 0.351 nan 8.290 nan 0.000 0.552 233 V N 0.781 120.622 119.914 -0.122 0.000 2.255 233 V HA -0.212 3.907 4.120 -0.001 0.000 0.247 233 V C 2.687 178.707 176.094 -0.122 0.000 1.051 233 V CA 2.373 64.617 62.300 -0.093 0.000 1.018 233 V CB -0.648 31.146 31.823 -0.050 0.000 0.641 233 V HN 0.480 nan 8.190 nan 0.000 0.445 234 E N -0.343 119.765 120.200 -0.153 0.000 2.097 234 E HA -0.258 4.091 4.350 -0.001 0.000 0.196 234 E C 2.124 178.579 176.600 -0.242 0.000 1.000 234 E CA 1.308 57.601 56.400 -0.177 0.000 0.804 234 E CB -0.132 29.453 29.700 -0.192 0.000 0.740 234 E HN 0.546 nan 8.360 nan 0.000 0.454 235 Q N 0.344 119.918 119.800 -0.378 0.000 2.403 235 Q HA -0.041 4.298 4.340 -0.001 0.000 0.203 235 Q C -0.205 175.682 176.000 -0.190 0.000 0.932 235 Q CA 0.329 55.918 55.803 -0.357 0.000 0.945 235 Q CB 0.442 28.828 28.738 -0.586 0.000 1.045 235 Q HN 0.197 nan 8.270 nan 0.000 0.511 236 D N 0.283 120.597 120.400 -0.145 0.000 2.723 236 D HA -0.148 4.491 4.640 -0.001 0.000 0.236 236 D C -0.173 176.088 176.300 -0.065 0.000 1.138 236 D CA 0.587 54.538 54.000 -0.082 0.000 0.676 236 D CB -1.303 39.465 40.800 -0.054 0.000 1.069 236 D HN 0.176 nan 8.370 nan 0.000 0.430 237 V N -2.603 117.258 119.914 -0.088 0.000 2.963 237 V HA 0.230 4.350 4.120 -0.001 0.000 0.306 237 V C 1.381 177.447 176.094 -0.047 0.000 1.077 237 V CA 0.460 62.717 62.300 -0.073 0.000 1.124 237 V CB 1.277 33.033 31.823 -0.111 0.000 0.987 237 V HN 0.062 nan 8.190 nan 0.000 0.487 238 D N 2.698 123.080 120.400 -0.030 0.000 2.271 238 D HA 0.164 4.803 4.640 -0.001 0.000 0.206 238 D C 0.658 176.961 176.300 0.005 0.000 0.967 238 D CA 1.473 55.477 54.000 0.006 0.000 0.867 238 D CB 0.461 41.287 40.800 0.043 0.000 0.960 238 D HN 0.832 nan 8.370 nan 0.000 0.509 239 M N -1.197 118.377 119.600 -0.043 0.000 2.578 239 M HA 0.484 4.963 4.480 -0.001 0.000 0.276 239 M C -1.799 174.424 176.300 -0.129 0.000 1.245 239 M CA -0.906 54.377 55.300 -0.028 0.000 0.871 239 M CB 2.936 35.576 32.600 0.067 0.000 1.722 239 M HN -0.435 nan 8.290 nan 0.000 0.473 240 V N 2.517 122.406 119.914 -0.042 0.000 2.448 240 V HA 0.503 4.622 4.120 -0.001 0.000 0.295 240 V C -1.211 174.983 176.094 0.166 0.000 1.025 240 V CA -0.393 61.869 62.300 -0.064 0.000 0.859 240 V CB 1.731 33.528 31.823 -0.044 0.000 0.988 240 V HN 0.677 nan 8.190 nan 0.000 0.431 241 F N 3.690 123.626 119.950 -0.023 0.000 2.377 241 F HA 0.583 5.110 4.527 -0.001 0.000 0.360 241 F C 0.838 176.635 175.800 -0.006 0.000 1.147 241 F CA -1.500 56.495 58.000 -0.007 0.000 1.170 241 F CB 0.427 39.434 39.000 0.011 0.000 1.339 241 F HN 0.517 nan 8.300 nan 0.000 0.552 242 A N 2.560 125.479 122.820 0.165 0.000 2.354 242 A HA 0.481 4.800 4.320 -0.001 0.000 0.281 242 A C 0.545 178.188 177.584 0.099 0.000 1.174 242 A CA -0.292 51.801 52.037 0.093 0.000 0.828 242 A CB 0.039 19.070 19.000 0.051 0.000 1.099 242 A HN 0.563 nan 8.150 nan 0.000 0.516 243 S N 1.353 117.119 115.700 0.110 0.000 2.565 243 S HA 0.415 4.884 4.470 -0.001 0.000 0.276 243 S C 0.045 174.775 174.600 0.215 0.000 1.326 243 S CA 0.070 58.356 58.200 0.144 0.000 1.045 243 S CB -0.144 63.130 63.200 0.122 0.000 0.918 243 S HN 1.230 nan 8.310 nan 0.000 0.505 244 F N 1.490 121.442 119.950 0.003 0.000 3.040 244 F HA -0.156 4.370 4.527 -0.001 0.000 0.298 244 F C -0.659 175.131 175.800 -0.017 0.000 0.948 244 F CA -0.186 57.808 58.000 -0.011 0.000 1.022 244 F CB -1.135 37.852 39.000 -0.022 0.000 1.023 244 F HN 0.401 nan 8.300 nan 0.000 0.742 245 I N 2.125 122.654 120.570 -0.069 0.000 2.352 245 I HA 0.145 4.315 4.170 -0.001 0.000 0.290 245 I C 1.370 177.363 176.117 -0.207 0.000 1.036 245 I CA 0.223 61.452 61.300 -0.119 0.000 1.336 245 I CB 1.235 39.192 38.000 -0.072 0.000 1.407 245 I HN 0.344 nan 8.210 nan 0.000 0.497 246 R N 4.550 124.909 120.500 -0.235 0.000 2.287 246 R HA 0.180 4.519 4.340 -0.001 0.000 0.197 246 R C -0.181 176.027 176.300 -0.154 0.000 0.900 246 R CA 0.341 56.297 56.100 -0.239 0.000 1.052 246 R CB 0.637 30.758 30.300 -0.298 0.000 1.117 246 R HN 0.598 nan 8.270 nan 0.000 0.568 247 K N -2.150 118.166 120.400 -0.140 0.000 2.548 247 K HA 0.573 4.892 4.320 -0.001 0.000 0.282 247 K C -0.045 176.458 176.600 -0.162 0.000 1.006 247 K CA -0.403 55.809 56.287 -0.124 0.000 0.892 247 K CB 1.190 33.636 32.500 -0.090 0.000 1.499 247 K HN -0.160 nan 8.250 nan 0.000 0.433 248 A N 0.854 123.567 122.820 -0.178 0.000 1.933 248 A HA -0.191 4.128 4.320 -0.001 0.000 0.218 248 A C 2.153 179.475 177.584 -0.437 0.000 1.175 248 A CA 2.336 54.186 52.037 -0.311 0.000 0.628 248 A CB -1.169 17.697 19.000 -0.223 0.000 0.814 248 A HN 0.818 nan 8.150 nan 0.000 0.444 249 S N 0.345 115.941 115.700 -0.173 0.000 2.399 249 S HA -0.198 4.271 4.470 -0.001 0.000 0.231 249 S C 1.340 175.905 174.600 -0.059 0.000 1.022 249 S CA 1.461 59.638 58.200 -0.039 0.000 0.983 249 S CB -0.547 62.674 63.200 0.035 0.000 0.803 249 S HN 0.523 nan 8.310 nan 0.000 0.480 250 D N 1.835 122.178 120.400 -0.094 0.000 2.123 250 D HA -0.057 4.583 4.640 -0.001 0.000 0.196 250 D C 2.132 178.383 176.300 -0.081 0.000 0.992 250 D CA 1.244 55.204 54.000 -0.066 0.000 0.833 250 D CB -0.666 40.090 40.800 -0.073 0.000 0.954 250 D HN 0.390 nan 8.370 nan 0.000 0.455 251 V N 1.332 121.141 119.914 -0.175 0.000 2.407 251 V HA -0.217 3.902 4.120 -0.001 0.000 0.248 251 V C 2.184 178.229 176.094 -0.083 0.000 1.055 251 V CA 1.505 63.705 62.300 -0.166 0.000 1.049 251 V CB -0.609 31.059 31.823 -0.259 0.000 0.662 251 V HN 0.273 nan 8.190 nan 0.000 0.455 252 H N 0.236 119.295 119.070 -0.019 0.000 2.423 252 H HA -0.081 4.474 4.556 -0.002 0.000 0.297 252 H C 2.506 177.830 175.328 -0.006 0.000 1.075 252 H CA 1.487 57.527 56.048 -0.013 0.000 1.342 252 H CB -0.334 29.419 29.762 -0.015 0.000 1.395 252 H HN 0.463 nan 8.280 nan 0.000 0.530 253 E N 0.192 120.453 120.200 0.101 0.000 2.051 253 E HA -0.087 4.262 4.350 -0.001 0.000 0.192 253 E C 2.750 179.377 176.600 0.044 0.000 0.991 253 E CA 0.888 57.325 56.400 0.061 0.000 0.799 253 E CB -0.736 28.989 29.700 0.042 0.000 0.748 253 E HN 0.308 nan 8.360 nan 0.000 0.449 254 V N 0.818 120.751 119.914 0.031 0.000 2.343 254 V HA -0.247 3.872 4.120 -0.001 0.000 0.247 254 V C 2.514 178.624 176.094 0.028 0.000 1.051 254 V CA 2.183 64.496 62.300 0.023 0.000 1.036 254 V CB -0.626 31.204 31.823 0.013 0.000 0.654 254 V HN 0.180 nan 8.190 nan 0.000 0.451 255 R N 0.850 121.377 120.500 0.044 0.000 2.083 255 R HA -0.208 4.131 4.340 -0.001 0.000 0.237 255 R C 2.332 178.654 176.300 0.037 0.000 1.137 255 R CA 2.187 58.316 56.100 0.049 0.000 0.951 255 R CB -0.570 29.782 30.300 0.088 0.000 0.851 255 R HN 0.520 nan 8.270 nan 0.000 0.434 256 K N -0.539 119.886 120.400 0.042 0.000 2.026 256 K HA -0.106 4.213 4.320 -0.001 0.000 0.208 256 K C 1.819 178.432 176.600 0.023 0.000 1.048 256 K CA 1.733 58.038 56.287 0.029 0.000 0.929 256 K CB -0.069 32.450 32.500 0.033 0.000 0.713 256 K HN 0.109 nan 8.250 nan 0.000 0.439 257 V N 1.823 121.751 119.914 0.024 0.000 2.343 257 V HA -0.248 3.871 4.120 -0.001 0.000 0.247 257 V C 2.342 178.444 176.094 0.014 0.000 1.051 257 V CA 1.557 63.870 62.300 0.020 0.000 1.036 257 V CB -0.363 31.473 31.823 0.021 0.000 0.654 257 V HN 0.332 nan 8.190 nan 0.000 0.451 258 L N -0.277 120.952 121.223 0.010 0.000 2.042 258 L HA 0.036 4.375 4.340 -0.001 0.000 0.210 258 L C 1.600 178.473 176.870 0.004 0.000 1.076 258 L CA 1.312 56.153 54.840 0.002 0.000 0.749 258 L CB -1.108 40.951 42.059 -0.000 0.000 0.893 258 L HN 0.608 nan 8.230 nan 0.000 0.432 259 G N -0.465 108.341 108.800 0.009 0.000 2.598 259 G HA2 -0.336 3.623 3.960 -0.001 0.000 0.244 259 G HA3 -0.336 3.623 3.960 -0.001 0.000 0.244 259 G C 0.575 175.478 174.900 0.005 0.000 1.302 259 G CA 0.305 45.410 45.100 0.008 0.000 0.903 259 G HN 0.225 nan 8.290 nan 0.000 0.575 260 E N 0.437 120.639 120.200 0.003 0.000 2.107 260 E HA -0.087 4.262 4.350 -0.001 0.000 0.191 260 E C 3.022 179.622 176.600 0.001 0.000 0.982 260 E CA 2.292 58.693 56.400 0.002 0.000 0.809 260 E CB -0.415 29.286 29.700 0.001 0.000 0.756 260 E HN 0.864 nan 8.360 nan 0.000 0.459 261 K N 0.368 120.767 120.400 -0.001 0.000 2.148 261 K HA -0.037 4.282 4.320 -0.001 0.000 0.204 261 K C 1.861 178.457 176.600 -0.007 0.000 1.050 261 K CA 1.394 57.678 56.287 -0.004 0.000 0.942 261 K CB -0.847 31.649 32.500 -0.006 0.000 0.724 261 K HN 0.218 nan 8.250 nan 0.000 0.446 262 G N 1.348 110.144 108.800 -0.006 0.000 3.609 262 G HA2 0.129 4.089 3.960 -0.001 0.000 0.280 262 G HA3 0.129 4.089 3.960 -0.001 0.000 0.280 262 G C 1.175 176.076 174.900 0.001 0.000 1.155 262 G CA 0.472 45.567 45.100 -0.008 0.000 0.876 262 G HN 0.688 nan 8.290 nan 0.000 0.535 263 K N -0.198 120.205 120.400 0.005 0.000 2.148 263 K HA -0.017 4.303 4.320 -0.001 0.000 0.204 263 K C 1.295 177.905 176.600 0.017 0.000 1.050 263 K CA 0.947 57.240 56.287 0.010 0.000 0.942 263 K CB -0.054 32.451 32.500 0.008 0.000 0.724 263 K HN 0.047 nan 8.250 nan 0.000 0.446 264 N N 0.794 119.504 118.700 0.017 0.000 2.398 264 N HA 0.134 4.873 4.740 -0.001 0.000 0.188 264 N C 0.001 175.530 175.510 0.031 0.000 1.122 264 N CA 0.198 53.264 53.050 0.027 0.000 0.866 264 N CB 0.179 38.681 38.487 0.026 0.000 0.970 264 N HN 0.233 nan 8.380 nan 0.000 0.462 265 I N 2.044 122.625 120.570 0.019 0.000 2.517 265 I HA -0.020 4.150 4.170 -0.001 0.000 0.285 265 I C 0.405 176.539 176.117 0.028 0.000 1.106 265 I CA -0.170 61.139 61.300 0.016 0.000 1.402 265 I CB 0.519 38.515 38.000 -0.007 0.000 1.399 265 I HN -0.350 nan 8.210 nan 0.000 0.535 266 K N 7.697 128.123 120.400 0.043 0.000 2.322 266 K HA 0.397 4.716 4.320 -0.001 0.000 0.283 266 K C -0.325 176.310 176.600 0.058 0.000 1.042 266 K CA -0.169 56.152 56.287 0.057 0.000 0.958 266 K CB 0.951 33.496 32.500 0.076 0.000 0.984 266 K HN 0.513 nan 8.250 nan 0.000 0.473 267 I N 4.821 125.420 120.570 0.048 0.000 2.312 267 I HA 0.163 4.332 4.170 -0.001 0.000 0.291 267 I C 0.091 176.238 176.117 0.051 0.000 1.031 267 I CA -0.600 60.730 61.300 0.050 0.000 1.293 267 I CB 0.664 38.679 38.000 0.025 0.000 1.403 267 I HN 0.183 nan 8.210 nan 0.000 0.484 268 I N 5.366 126.000 120.570 0.106 0.000 2.330 268 I HA 0.212 4.382 4.170 -0.001 0.000 0.289 268 I C 0.301 176.436 176.117 0.031 0.000 1.001 268 I CA -0.253 61.079 61.300 0.053 0.000 1.193 268 I CB 1.300 39.338 38.000 0.064 0.000 1.345 268 I HN 0.446 nan 8.210 nan 0.000 0.461 269 S N 6.479 122.164 115.700 -0.025 0.000 2.474 269 S HA 0.248 4.717 4.470 -0.001 0.000 0.276 269 S C 0.265 174.853 174.600 -0.020 0.000 1.227 269 S CA -0.575 57.611 58.200 -0.023 0.000 1.050 269 S CB 0.405 63.568 63.200 -0.062 0.000 0.939 269 S HN 0.355 nan 8.310 nan 0.000 0.490 270 K N 3.142 123.547 120.400 0.009 0.000 2.316 270 K HA 0.251 4.570 4.320 -0.001 0.000 0.289 270 K C -0.492 176.124 176.600 0.026 0.000 1.070 270 K CA -0.270 56.025 56.287 0.012 0.000 0.928 270 K CB 0.336 32.870 32.500 0.057 0.000 1.039 270 K HN 0.406 nan 8.250 nan 0.000 0.480 271 I N 3.729 124.314 120.570 0.025 0.000 2.312 271 I HA 0.075 4.244 4.170 -0.001 0.000 0.291 271 I C 0.719 176.852 176.117 0.027 0.000 1.031 271 I CA 0.280 61.597 61.300 0.028 0.000 1.293 271 I CB 0.853 38.891 38.000 0.064 0.000 1.403 271 I HN 0.758 nan 8.210 nan 0.000 0.484 272 E N 4.380 124.603 120.200 0.038 0.000 2.676 272 E HA 0.094 4.444 4.350 -0.001 0.000 0.225 272 E C -0.168 176.492 176.600 0.101 0.000 0.944 272 E CA -0.128 56.330 56.400 0.096 0.000 1.156 272 E CB 0.794 30.619 29.700 0.208 0.000 1.117 272 E HN 0.752 nan 8.360 nan 0.000 0.523 273 N N -0.826 117.887 118.700 0.022 0.000 3.020 273 N HA -0.018 4.721 4.740 -0.001 0.000 0.248 273 N C 0.284 175.800 175.510 0.009 0.000 1.480 273 N CA -0.511 52.560 53.050 0.035 0.000 0.874 273 N CB 0.640 39.142 38.487 0.025 0.000 1.433 273 N HN -0.181 nan 8.380 nan 0.000 0.530 274 H N -0.147 118.898 119.070 -0.042 0.000 2.457 274 H HA -0.052 4.503 4.556 -0.001 0.000 0.297 274 H C 0.936 176.227 175.328 -0.062 0.000 1.092 274 H CA 2.039 58.059 56.048 -0.046 0.000 1.309 274 H CB 0.472 30.213 29.762 -0.036 0.000 1.382 274 H HN 0.757 nan 8.280 nan 0.000 0.535 275 E N -0.453 119.734 120.200 -0.020 0.000 2.076 275 E HA -0.064 4.285 4.350 -0.001 0.000 0.190 275 E C 2.444 178.973 176.600 -0.118 0.000 0.979 275 E CA 0.583 56.939 56.400 -0.072 0.000 0.807 275 E CB -0.169 29.482 29.700 -0.082 0.000 0.761 275 E HN 0.548 nan 8.360 nan 0.000 0.454 276 G N 0.794 109.511 108.800 -0.137 0.000 2.469 276 G HA2 -0.268 3.691 3.960 -0.001 0.000 0.219 276 G HA3 -0.268 3.691 3.960 -0.001 0.000 0.219 276 G C 1.613 176.502 174.900 -0.017 0.000 1.150 276 G CA 1.174 46.219 45.100 -0.091 0.000 0.763 276 G HN 0.214 nan 8.290 nan 0.000 0.561 277 V N 0.209 120.073 119.914 -0.083 0.000 2.270 277 V HA -0.090 4.029 4.120 -0.001 0.000 0.245 277 V C 2.784 178.810 176.094 -0.113 0.000 1.043 277 V CA 1.947 64.178 62.300 -0.115 0.000 1.014 277 V CB -0.492 31.199 31.823 -0.220 0.000 0.645 277 V HN 0.296 nan 8.190 nan 0.000 0.447 278 R N 0.018 120.393 120.500 -0.207 0.000 2.120 278 R HA -0.049 4.290 4.340 -0.001 0.000 0.234 278 R C 1.767 178.032 176.300 -0.058 0.000 1.123 278 R CA 1.120 57.122 56.100 -0.164 0.000 0.975 278 R CB -0.017 30.165 30.300 -0.197 0.000 0.866 278 R HN 0.456 nan 8.270 nan 0.000 0.446 279 R N -0.438 120.037 120.500 -0.043 0.000 2.586 279 R HA 0.035 4.374 4.340 -0.001 0.000 0.306 279 R C 0.844 177.139 176.300 -0.008 0.000 1.079 279 R CA -0.297 55.785 56.100 -0.031 0.000 1.083 279 R CB 0.047 30.312 30.300 -0.059 0.000 1.306 279 R HN 0.159 nan 8.270 nan 0.000 0.567 280 F N 1.913 121.797 119.950 -0.109 0.000 2.171 280 F HA -0.174 4.352 4.527 -0.002 0.000 0.300 280 F C 1.380 177.129 175.800 -0.086 0.000 1.090 280 F CA 1.648 59.586 58.000 -0.103 0.000 1.293 280 F CB 0.232 39.169 39.000 -0.104 0.000 1.013 280 F HN -0.002 nan 8.300 nan 0.000 0.486 281 D N 0.339 120.683 120.400 -0.092 0.000 2.097 281 D HA -0.194 4.445 4.640 -0.001 0.000 0.197 281 D C 2.199 178.376 176.300 -0.205 0.000 0.984 281 D CA 1.692 55.595 54.000 -0.162 0.000 0.826 281 D CB -0.548 40.235 40.800 -0.028 0.000 0.973 281 D HN 0.655 nan 8.370 nan 0.000 0.460 282 E N 0.685 120.797 120.200 -0.148 0.000 2.153 282 E HA -0.141 4.208 4.350 -0.001 0.000 0.194 282 E C 2.179 178.658 176.600 -0.202 0.000 0.988 282 E CA 0.762 57.080 56.400 -0.136 0.000 0.811 282 E CB -0.427 29.217 29.700 -0.092 0.000 0.746 282 E HN 0.272 nan 8.360 nan 0.000 0.466 283 I N 0.547 120.957 120.570 -0.266 0.000 2.202 283 I HA -0.204 3.965 4.170 -0.001 0.000 0.242 283 I C 2.498 178.397 176.117 -0.363 0.000 1.091 283 I CA 0.550 61.669 61.300 -0.302 0.000 1.368 283 I CB -0.207 37.623 38.000 -0.285 0.000 1.058 283 I HN 0.170 nan 8.210 nan 0.000 0.410 284 L N 0.975 121.864 121.223 -0.556 0.000 2.046 284 L HA -0.223 4.116 4.340 -0.001 0.000 0.208 284 L C 2.495 179.207 176.870 -0.263 0.000 1.077 284 L CA 1.920 56.459 54.840 -0.501 0.000 0.747 284 L CB -0.924 40.713 42.059 -0.704 0.000 0.896 284 L HN 0.225 nan 8.230 nan 0.000 0.432 285 E N 0.007 120.079 120.200 -0.214 0.000 2.085 285 E HA -0.233 4.116 4.350 -0.001 0.000 0.194 285 E C 1.896 178.451 176.600 -0.075 0.000 0.994 285 E CA 1.570 57.902 56.400 -0.113 0.000 0.801 285 E CB -0.059 29.593 29.700 -0.081 0.000 0.743 285 E HN 0.603 nan 8.360 nan 0.000 0.453 286 A N 0.237 122.995 122.820 -0.103 0.000 2.081 286 A HA 0.095 4.414 4.320 -0.001 0.000 0.214 286 A C 1.445 178.991 177.584 -0.063 0.000 1.158 286 A CA 0.300 52.303 52.037 -0.058 0.000 0.724 286 A CB 0.121 18.986 19.000 -0.225 0.000 0.826 286 A HN 0.173 nan 8.150 nan 0.000 0.463 287 S N 0.118 115.755 115.700 -0.105 0.000 2.707 287 S HA 0.311 4.780 4.470 -0.001 0.000 0.276 287 S C -0.015 174.555 174.600 -0.050 0.000 1.179 287 S CA -0.453 57.699 58.200 -0.079 0.000 0.992 287 S CB 0.781 63.914 63.200 -0.112 0.000 1.030 287 S HN 0.371 nan 8.310 nan 0.000 0.554 288 D N 0.102 120.485 120.400 -0.029 0.000 2.366 288 D HA 0.291 4.930 4.640 -0.001 0.000 0.205 288 D C 0.777 177.042 176.300 -0.058 0.000 1.022 288 D CA 0.491 54.481 54.000 -0.017 0.000 0.868 288 D CB 0.457 41.267 40.800 0.017 0.000 0.953 288 D HN 0.616 nan 8.370 nan 0.000 0.514 289 G N -0.126 108.629 108.800 -0.075 0.000 2.495 289 G HA2 0.482 4.441 3.960 -0.001 0.000 0.294 289 G HA3 0.482 4.441 3.960 -0.001 0.000 0.294 289 G C -1.855 172.989 174.900 -0.094 0.000 1.397 289 G CA -0.566 44.469 45.100 -0.108 0.000 0.790 289 G HN -0.084 nan 8.290 nan 0.000 0.486 290 I N 0.604 121.119 120.570 -0.092 0.000 2.619 290 I HA 0.468 4.637 4.170 -0.001 0.000 0.292 290 I C -0.445 175.609 176.117 -0.106 0.000 1.100 290 I CA -0.629 60.641 61.300 -0.049 0.000 1.043 290 I CB 1.983 40.038 38.000 0.091 0.000 1.239 290 I HN 0.671 nan 8.210 nan 0.000 0.420 291 M N 6.141 125.667 119.600 -0.124 0.000 2.149 291 M HA 0.412 4.891 4.480 -0.001 0.000 0.342 291 M C -1.080 175.176 176.300 -0.073 0.000 1.068 291 M CA -0.608 54.593 55.300 -0.165 0.000 0.991 291 M CB 1.357 33.800 32.600 -0.261 0.000 1.596 291 M HN 0.303 nan 8.290 nan 0.000 0.439 292 V N 5.821 125.694 119.914 -0.069 0.000 2.302 292 V HA 0.155 4.275 4.120 -0.001 0.000 0.244 292 V C 0.704 176.777 176.094 -0.036 0.000 1.160 292 V CA -0.172 62.097 62.300 -0.051 0.000 1.127 292 V CB -0.435 31.352 31.823 -0.060 0.000 1.253 292 V HN 0.888 nan 8.190 nan 0.000 0.496 293 A N 5.905 128.715 122.820 -0.016 0.000 2.981 293 A HA 0.246 4.565 4.320 -0.001 0.000 0.280 293 A C 1.562 179.160 177.584 0.023 0.000 1.743 293 A CA -0.249 51.794 52.037 0.009 0.000 1.430 293 A CB -0.424 18.597 19.000 0.034 0.000 1.085 293 A HN 0.823 nan 8.150 nan 0.000 0.597 294 R N 1.475 121.985 120.500 0.017 0.000 2.148 294 R HA -0.114 4.225 4.340 -0.001 0.000 0.227 294 R C 2.234 178.558 176.300 0.039 0.000 1.103 294 R CA 1.137 57.252 56.100 0.025 0.000 0.983 294 R CB -0.124 30.190 30.300 0.023 0.000 0.874 294 R HN 0.698 nan 8.270 nan 0.000 0.451 295 G N 1.891 110.717 108.800 0.044 0.000 2.701 295 G HA2 -0.294 3.665 3.960 -0.001 0.000 0.215 295 G HA3 -0.294 3.665 3.960 -0.001 0.000 0.215 295 G C 0.875 175.811 174.900 0.059 0.000 1.297 295 G CA 1.114 46.245 45.100 0.050 0.000 0.807 295 G HN 0.170 nan 8.290 nan 0.000 0.608 296 D N 0.034 120.475 120.400 0.069 0.000 2.149 296 D HA -0.091 4.548 4.640 -0.001 0.000 0.198 296 D C 2.417 178.776 176.300 0.098 0.000 0.990 296 D CA 0.558 54.609 54.000 0.086 0.000 0.839 296 D CB -0.327 40.533 40.800 0.101 0.000 0.948 296 D HN 0.156 nan 8.370 nan 0.000 0.460 297 L N 0.784 122.056 121.223 0.082 0.000 2.127 297 L HA -0.036 4.303 4.340 -0.001 0.000 0.211 297 L C 2.142 179.058 176.870 0.075 0.000 1.089 297 L CA 1.790 56.673 54.840 0.072 0.000 0.757 297 L CB -0.797 41.285 42.059 0.038 0.000 0.899 297 L HN 0.045 nan 8.230 nan 0.000 0.434 298 G N -1.073 107.768 108.800 0.068 0.000 2.534 298 G HA2 -0.129 3.830 3.960 -0.001 0.000 0.217 298 G HA3 -0.129 3.830 3.960 -0.001 0.000 0.217 298 G C 1.550 176.497 174.900 0.079 0.000 1.128 298 G CA 0.750 45.889 45.100 0.067 0.000 0.784 298 G HN 0.478 nan 8.290 nan 0.000 0.542 299 I N 0.122 120.751 120.570 0.098 0.000 2.400 299 I HA -0.013 4.157 4.170 -0.001 0.000 0.248 299 I C 2.528 178.794 176.117 0.247 0.000 1.109 299 I CA 0.625 62.006 61.300 0.136 0.000 1.425 299 I CB -0.009 38.070 38.000 0.132 0.000 1.094 299 I HN 0.068 nan 8.210 nan 0.000 0.425 300 E N 1.419 121.737 120.200 0.196 0.000 2.072 300 E HA -0.029 4.320 4.350 -0.001 0.000 0.190 300 E C 0.916 177.625 176.600 0.181 0.000 0.982 300 E CA 0.882 57.392 56.400 0.183 0.000 0.803 300 E CB -0.005 29.780 29.700 0.142 0.000 0.755 300 E HN 0.532 nan 8.360 nan 0.000 0.453 301 I N -1.605 119.056 120.570 0.153 0.000 2.750 301 I HA 0.439 4.608 4.170 -0.001 0.000 0.308 301 I C -2.656 173.532 176.117 0.117 0.000 1.016 301 I CA -3.016 58.364 61.300 0.132 0.000 1.098 301 I CB 1.726 39.793 38.000 0.111 0.000 1.279 301 I HN -0.342 nan 8.210 nan 0.000 0.454 302 P HA 0.027 nan 4.420 nan 0.000 0.262 302 P C 0.306 177.648 177.300 0.070 0.000 1.182 302 P CA 0.159 63.305 63.100 0.076 0.000 0.761 302 P CB 0.950 32.691 31.700 0.067 0.000 0.795 303 A N 4.577 127.433 122.820 0.059 0.000 2.019 303 A HA -0.182 4.137 4.320 -0.001 0.000 0.219 303 A C 1.777 179.417 177.584 0.095 0.000 1.164 303 A CA 1.294 53.370 52.037 0.064 0.000 0.644 303 A CB -0.819 18.206 19.000 0.042 0.000 0.805 303 A HN 0.660 nan 8.150 nan 0.000 0.449 304 E N 0.609 120.868 120.200 0.098 0.000 2.409 304 E HA -0.158 4.191 4.350 -0.001 0.000 0.198 304 E C 1.083 177.834 176.600 0.252 0.000 1.024 304 E CA 1.172 57.663 56.400 0.152 0.000 0.861 304 E CB -0.247 29.519 29.700 0.111 0.000 0.788 304 E HN 0.646 nan 8.360 nan 0.000 0.521 305 K N 0.528 121.010 120.400 0.137 0.000 2.367 305 K HA 0.152 4.471 4.320 -0.001 0.000 0.194 305 K C 1.887 178.453 176.600 -0.056 0.000 1.027 305 K CA 0.120 56.418 56.287 0.018 0.000 1.075 305 K CB 0.648 33.144 32.500 -0.008 0.000 0.845 305 K HN -0.080 nan 8.250 nan 0.000 0.529 306 V N 1.889 121.842 119.914 0.066 0.000 2.407 306 V HA -0.267 3.852 4.120 -0.001 0.000 0.248 306 V C 2.008 178.114 176.094 0.021 0.000 1.055 306 V CA 1.926 64.248 62.300 0.037 0.000 1.049 306 V CB -0.593 31.276 31.823 0.076 0.000 0.662 306 V HN 0.371 nan 8.190 nan 0.000 0.455 307 F N -0.454 119.478 119.950 -0.029 0.000 2.234 307 F HA -0.079 4.447 4.527 -0.002 0.000 0.299 307 F C 1.908 177.677 175.800 -0.052 0.000 1.087 307 F CA 1.310 59.289 58.000 -0.036 0.000 1.340 307 F CB -0.827 38.158 39.000 -0.025 0.000 1.031 307 F HN 0.071 nan 8.300 nan 0.000 0.500 308 L N 1.134 121.747 121.223 -1.016 0.000 2.005 308 L HA -0.117 4.222 4.340 -0.001 0.000 0.207 308 L C 3.088 179.727 176.870 -0.385 0.000 1.072 308 L CA 1.254 55.644 54.840 -0.750 0.000 0.744 308 L CB -1.284 40.367 42.059 -0.680 0.000 0.895 308 L HN 0.324 nan 8.230 nan 0.000 0.433 309 A N -0.402 122.236 122.820 -0.304 0.000 1.908 309 A HA -0.308 4.011 4.320 -0.001 0.000 0.218 309 A C 2.287 179.726 177.584 -0.241 0.000 1.181 309 A CA 2.087 53.972 52.037 -0.254 0.000 0.627 309 A CB -0.681 18.206 19.000 -0.189 0.000 0.818 309 A HN 0.537 nan 8.150 nan 0.000 0.445 310 Q N -0.246 119.455 119.800 -0.165 0.000 2.050 310 Q HA -0.223 4.117 4.340 -0.001 0.000 0.202 310 Q C 1.967 177.890 176.000 -0.129 0.000 0.980 310 Q CA 2.053 57.786 55.803 -0.116 0.000 0.840 310 Q CB -0.145 28.573 28.738 -0.033 0.000 0.898 310 Q HN 0.686 nan 8.270 nan 0.000 0.424 311 K N -0.088 120.241 120.400 -0.119 0.000 2.103 311 K HA -0.088 4.231 4.320 -0.001 0.000 0.204 311 K C 2.202 178.714 176.600 -0.148 0.000 1.052 311 K CA 1.091 57.319 56.287 -0.099 0.000 0.945 311 K CB -0.202 32.264 32.500 -0.056 0.000 0.722 311 K HN 0.305 nan 8.250 nan 0.000 0.443 312 M N 0.989 120.463 119.600 -0.210 0.000 2.080 312 M HA -0.189 4.290 4.480 -0.001 0.000 0.260 312 M C 1.932 178.042 176.300 -0.317 0.000 1.068 312 M CA 1.881 57.032 55.300 -0.247 0.000 1.109 312 M CB -0.279 32.144 32.600 -0.295 0.000 1.342 312 M HN 0.204 nan 8.290 nan 0.000 0.405 313 M N -0.445 118.895 119.600 -0.434 0.000 2.132 313 M HA -0.174 4.305 4.480 -0.001 0.000 0.263 313 M C 2.147 178.342 176.300 -0.175 0.000 1.065 313 M CA 1.354 56.320 55.300 -0.557 0.000 1.122 313 M CB -0.439 31.804 32.600 -0.596 0.000 1.365 313 M HN 0.267 nan 8.290 nan 0.000 0.411 314 I N -0.106 120.388 120.570 -0.127 0.000 2.179 314 I HA -0.189 3.980 4.170 -0.001 0.000 0.242 314 I C 2.630 178.723 176.117 -0.039 0.000 1.088 314 I CA 1.415 62.680 61.300 -0.058 0.000 1.357 314 I CB -1.016 36.953 38.000 -0.052 0.000 1.051 314 I HN 0.349 nan 8.210 nan 0.000 0.409 315 G N 0.853 109.618 108.800 -0.059 0.000 2.491 315 G HA2 -0.260 3.699 3.960 -0.001 0.000 0.218 315 G HA3 -0.260 3.699 3.960 -0.001 0.000 0.218 315 G C 1.798 176.691 174.900 -0.012 0.000 1.180 315 G CA 0.628 45.703 45.100 -0.043 0.000 0.774 315 G HN 0.295 nan 8.290 nan 0.000 0.562 316 R N -0.779 119.726 120.500 0.008 0.000 2.120 316 R HA -0.030 4.309 4.340 -0.001 0.000 0.234 316 R C 2.655 179.026 176.300 0.118 0.000 1.123 316 R CA 1.060 57.217 56.100 0.095 0.000 0.975 316 R CB -0.572 29.866 30.300 0.229 0.000 0.866 316 R HN 0.399 nan 8.270 nan 0.000 0.446 317 C N 0.495 119.865 119.300 0.116 0.000 2.466 317 C HA -0.028 4.431 4.460 -0.001 0.000 0.278 317 C C 2.146 177.146 174.990 0.016 0.000 1.288 317 C CA 0.686 59.748 59.018 0.072 0.000 1.722 317 C CB -1.089 26.690 27.740 0.064 0.000 2.017 317 C HN 0.576 nan 8.230 nan 0.000 0.488 318 N N 0.159 118.862 118.700 0.004 0.000 2.166 318 N HA -0.179 4.560 4.740 -0.001 0.000 0.186 318 N C 2.002 177.498 175.510 -0.023 0.000 1.019 318 N CA 0.799 53.843 53.050 -0.010 0.000 0.856 318 N CB -0.248 38.233 38.487 -0.010 0.000 0.993 318 N HN 0.502 nan 8.380 nan 0.000 0.426 319 R N 0.953 121.446 120.500 -0.013 0.000 2.096 319 R HA -0.035 4.304 4.340 -0.001 0.000 0.235 319 R C 1.800 178.084 176.300 -0.026 0.000 1.127 319 R CA 1.310 57.398 56.100 -0.020 0.000 0.968 319 R CB -0.021 30.276 30.300 -0.005 0.000 0.861 319 R HN 0.170 nan 8.270 nan 0.000 0.440 320 A N -0.688 122.124 122.820 -0.013 0.000 2.195 320 A HA 0.225 4.545 4.320 -0.001 0.000 0.210 320 A C 1.308 178.882 177.584 -0.016 0.000 1.165 320 A CA 0.661 52.688 52.037 -0.017 0.000 0.806 320 A CB 0.055 19.044 19.000 -0.017 0.000 0.847 320 A HN 0.510 nan 8.150 nan 0.000 0.482 321 G N -0.304 108.485 108.800 -0.018 0.000 2.176 321 G HA2 -0.255 3.704 3.960 -0.001 0.000 0.252 321 G HA3 -0.255 3.704 3.960 -0.001 0.000 0.252 321 G C 0.045 174.987 174.900 0.069 0.000 1.024 321 G CA 0.648 45.754 45.100 0.009 0.000 0.755 321 G HN 0.552 nan 8.290 nan 0.000 0.507 322 K N 0.430 120.837 120.400 0.011 0.000 2.164 322 K HA 0.451 4.770 4.320 -0.001 0.000 0.258 322 K C -2.558 173.953 176.600 -0.147 0.000 0.951 322 K CA -2.134 54.129 56.287 -0.041 0.000 0.844 322 K CB 1.836 34.305 32.500 -0.051 0.000 1.099 322 K HN -0.070 nan 8.250 nan 0.000 0.435 323 P HA -0.059 nan 4.420 nan 0.000 0.262 323 P C -0.914 176.263 177.300 -0.206 0.000 1.182 323 P CA -0.089 62.771 63.100 -0.401 0.000 0.761 323 P CB 0.558 31.899 31.700 -0.597 0.000 0.795 324 V N 5.768 125.592 119.914 -0.150 0.000 2.588 324 V HA 0.491 4.610 4.120 -0.001 0.000 0.304 324 V C -0.656 175.373 176.094 -0.109 0.000 1.042 324 V CA -0.880 61.361 62.300 -0.098 0.000 0.877 324 V CB 1.293 33.091 31.823 -0.042 0.000 0.996 324 V HN 0.288 nan 8.190 nan 0.000 0.425 325 I N 6.399 126.890 120.570 -0.131 0.000 2.377 325 I HA 0.425 4.594 4.170 -0.001 0.000 0.293 325 I C -0.105 175.951 176.117 -0.100 0.000 0.987 325 I CA -0.359 60.859 61.300 -0.137 0.000 1.185 325 I CB 1.553 39.410 38.000 -0.239 0.000 1.341 325 I HN 0.626 nan 8.210 nan 0.000 0.455 326 C N 6.648 125.909 119.300 -0.065 0.000 2.285 326 C HA 0.856 5.315 4.460 -0.001 0.000 0.335 326 C C 0.432 175.402 174.990 -0.033 0.000 1.267 326 C CA -0.123 58.870 59.018 -0.042 0.000 1.762 326 C CB -0.698 27.029 27.740 -0.022 0.000 2.365 326 C HN 0.874 nan 8.230 nan 0.000 0.527 327 A N 4.638 127.442 122.820 -0.027 0.000 2.423 327 A HA 0.934 5.253 4.320 -0.001 0.000 0.304 327 A C -0.119 177.474 177.584 0.013 0.000 1.104 327 A CA -0.157 51.875 52.037 -0.008 0.000 0.757 327 A CB 1.037 20.024 19.000 -0.021 0.000 1.313 327 A HN 1.477 nan 8.150 nan 0.000 0.423 328 T N 1.090 115.661 114.554 0.029 0.000 0.643 328 T HA -0.072 4.277 4.350 -0.001 0.000 0.764 328 T C -0.014 174.706 174.700 0.035 0.000 0.990 328 T CA 0.666 62.789 62.100 0.038 0.000 4.027 328 T CB -1.481 67.411 68.868 0.040 0.000 2.276 328 T HN 1.576 nan 8.240 nan 0.000 0.395 329 Q N -0.021 119.801 119.800 0.038 0.000 2.489 329 Q HA -0.246 4.093 4.340 -0.001 0.000 0.259 329 Q C 1.520 177.538 176.000 0.029 0.000 0.934 329 Q CA 1.410 57.233 55.803 0.033 0.000 1.131 329 Q CB -1.166 27.590 28.738 0.030 0.000 1.472 329 Q HN 0.844 nan 8.270 nan 0.000 0.560 330 M N -0.506 119.112 119.600 0.030 0.000 2.117 330 M HA -0.104 4.375 4.480 -0.001 0.000 0.262 330 M C 0.986 177.301 176.300 0.025 0.000 1.065 330 M CA 1.555 56.870 55.300 0.026 0.000 1.114 330 M CB 0.144 32.760 32.600 0.027 0.000 1.361 330 M HN 0.266 nan 8.290 nan 0.000 0.408 331 L N -0.591 120.650 121.223 0.030 0.000 3.059 331 L HA 0.191 4.530 4.340 -0.001 0.000 0.298 331 L C 1.009 177.899 176.870 0.034 0.000 1.304 331 L CA -0.389 54.468 54.840 0.028 0.000 0.855 331 L CB 0.341 42.419 42.059 0.033 0.000 1.266 331 L HN 0.026 nan 8.230 nan 0.000 0.572 332 E N 1.217 121.435 120.200 0.031 0.000 2.160 332 E HA -0.216 4.133 4.350 -0.001 0.000 0.195 332 E C 2.149 178.771 176.600 0.037 0.000 0.991 332 E CA 1.916 58.337 56.400 0.035 0.000 0.810 332 E CB 0.243 29.961 29.700 0.030 0.000 0.742 332 E HN 0.537 nan 8.360 nan 0.000 0.466 333 S N -0.615 115.102 115.700 0.028 0.000 2.474 333 S HA -0.101 4.368 4.470 -0.001 0.000 0.235 333 S C 1.778 176.401 174.600 0.038 0.000 0.997 333 S CA 0.865 59.080 58.200 0.026 0.000 0.949 333 S CB -0.268 62.938 63.200 0.010 0.000 0.766 333 S HN 0.285 nan 8.310 nan 0.000 0.517 334 M N 0.601 120.227 119.600 0.044 0.000 2.659 334 M HA 0.250 4.729 4.480 -0.001 0.000 0.243 334 M C 1.347 177.741 176.300 0.157 0.000 1.111 334 M CA 0.411 55.752 55.300 0.070 0.000 1.070 334 M CB -0.511 32.119 32.600 0.051 0.000 1.525 334 M HN 0.351 nan 8.290 nan 0.000 0.517 335 I N -0.222 120.418 120.570 0.118 0.000 2.315 335 I HA -0.261 3.908 4.170 -0.001 0.000 0.248 335 I C 2.290 178.495 176.117 0.147 0.000 1.117 335 I CA 1.229 62.598 61.300 0.115 0.000 1.404 335 I CB -0.154 37.887 38.000 0.069 0.000 1.071 335 I HN 0.143 nan 8.210 nan 0.000 0.419 336 K N -0.610 119.881 120.400 0.151 0.000 2.350 336 K HA 0.148 4.468 4.320 -0.001 0.000 0.196 336 K C 0.624 177.387 176.600 0.271 0.000 1.084 336 K CA 0.193 56.581 56.287 0.169 0.000 0.967 336 K CB 0.397 32.952 32.500 0.092 0.000 0.950 336 K HN 0.098 nan 8.250 nan 0.000 0.512 337 K N 0.830 121.325 120.400 0.158 0.000 2.208 337 K HA 0.357 4.676 4.320 -0.001 0.000 0.247 337 K C -2.493 173.831 176.600 -0.460 0.000 0.953 337 K CA -1.882 54.376 56.287 -0.048 0.000 0.837 337 K CB 1.430 33.897 32.500 -0.054 0.000 1.131 337 K HN 0.030 nan 8.250 nan 0.000 0.431 338 P HA 0.000 nan 4.420 nan 0.000 0.241 338 P C -0.241 176.789 177.300 -0.450 0.000 1.191 338 P CA 0.623 63.028 63.100 -1.158 0.000 0.771 338 P CB 0.211 31.383 31.700 -0.879 0.000 0.929 339 R N -1.224 119.116 120.500 -0.266 0.000 2.739 339 R HA 0.617 4.956 4.340 -0.001 0.000 0.271 339 R C -3.324 172.926 176.300 -0.084 0.000 1.010 339 R CA -2.095 53.924 56.100 -0.134 0.000 0.897 339 R CB 0.631 30.869 30.300 -0.103 0.000 1.236 339 R HN -0.245 nan 8.270 nan 0.000 0.466 340 P HA 0.142 nan 4.420 nan 0.000 0.280 340 P C -0.316 176.970 177.300 -0.022 0.000 1.272 340 P CA -0.329 62.755 63.100 -0.025 0.000 0.819 340 P CB 1.219 32.913 31.700 -0.010 0.000 1.122 341 T N -0.940 113.606 114.554 -0.014 0.000 2.766 341 T HA 0.179 4.528 4.350 -0.001 0.000 0.295 341 T C 1.462 176.155 174.700 -0.012 0.000 1.024 341 T CA -0.537 61.555 62.100 -0.013 0.000 1.018 341 T CB 0.352 69.214 68.868 -0.009 0.000 1.002 341 T HN 0.203 nan 8.240 nan 0.000 0.532 342 R N 0.808 121.301 120.500 -0.013 0.000 2.115 342 R HA 0.081 4.420 4.340 -0.001 0.000 0.226 342 R C 2.688 178.981 176.300 -0.012 0.000 1.100 342 R CA 1.360 57.452 56.100 -0.012 0.000 0.980 342 R CB -1.825 28.467 30.300 -0.014 0.000 0.875 342 R HN 0.844 nan 8.270 nan 0.000 0.445 343 A N 1.408 124.220 122.820 -0.012 0.000 1.933 343 A HA -0.173 4.146 4.320 -0.001 0.000 0.218 343 A C 2.022 179.601 177.584 -0.007 0.000 1.175 343 A CA 1.435 53.464 52.037 -0.013 0.000 0.628 343 A CB -0.267 18.725 19.000 -0.015 0.000 0.814 343 A HN 0.364 nan 8.150 nan 0.000 0.444 344 E N -0.771 119.427 120.200 -0.003 0.000 2.072 344 E HA -0.048 4.302 4.350 -0.001 0.000 0.190 344 E C 2.193 178.795 176.600 0.004 0.000 0.982 344 E CA 0.673 57.074 56.400 0.003 0.000 0.803 344 E CB -0.373 29.330 29.700 0.005 0.000 0.755 344 E HN 0.585 nan 8.360 nan 0.000 0.453 345 G N 0.662 109.462 108.800 0.000 0.000 2.440 345 G HA2 -0.329 3.630 3.960 -0.001 0.000 0.218 345 G HA3 -0.329 3.630 3.960 -0.001 0.000 0.218 345 G C 1.643 176.544 174.900 0.002 0.000 1.154 345 G CA 1.064 46.165 45.100 0.001 0.000 0.767 345 G HN 0.293 nan 8.290 nan 0.000 0.552 346 S N 0.324 116.023 115.700 -0.001 0.000 2.382 346 S HA -0.164 4.306 4.470 -0.001 0.000 0.228 346 S C 2.062 176.664 174.600 0.003 0.000 1.027 346 S CA 1.976 60.175 58.200 -0.001 0.000 0.991 346 S CB -0.412 62.782 63.200 -0.009 0.000 0.823 346 S HN 0.424 nan 8.310 nan 0.000 0.469 347 D N 0.188 120.590 120.400 0.003 0.000 2.117 347 D HA -0.073 4.567 4.640 -0.001 0.000 0.198 347 D C 1.891 178.199 176.300 0.013 0.000 0.982 347 D CA 1.378 55.383 54.000 0.008 0.000 0.828 347 D CB -0.250 40.555 40.800 0.009 0.000 0.967 347 D HN 0.302 nan 8.370 nan 0.000 0.464 348 V N 0.798 120.720 119.914 0.013 0.000 2.261 348 V HA -0.211 3.908 4.120 -0.001 0.000 0.246 348 V C 2.613 178.716 176.094 0.016 0.000 1.047 348 V CA 1.848 64.157 62.300 0.015 0.000 1.015 348 V CB -1.050 30.783 31.823 0.016 0.000 0.642 348 V HN 0.344 nan 8.190 nan 0.000 0.446 349 A N 0.259 123.088 122.820 0.015 0.000 1.908 349 A HA -0.264 4.055 4.320 -0.001 0.000 0.218 349 A C 2.073 179.674 177.584 0.028 0.000 1.181 349 A CA 2.186 54.234 52.037 0.020 0.000 0.627 349 A CB -0.719 18.292 19.000 0.018 0.000 0.818 349 A HN 0.616 nan 8.150 nan 0.000 0.445 350 N N -0.020 118.696 118.700 0.026 0.000 2.331 350 N HA -0.048 4.691 4.740 -0.001 0.000 0.180 350 N C 1.855 177.382 175.510 0.029 0.000 1.019 350 N CA 1.178 54.248 53.050 0.033 0.000 0.881 350 N CB -0.297 38.208 38.487 0.029 0.000 0.972 350 N HN 0.498 nan 8.380 nan 0.000 0.435 351 A N 0.667 123.500 122.820 0.022 0.000 1.930 351 A HA -0.036 4.283 4.320 -0.001 0.000 0.217 351 A C 2.453 180.044 177.584 0.013 0.000 1.175 351 A CA 0.936 52.981 52.037 0.015 0.000 0.627 351 A CB -0.456 18.550 19.000 0.011 0.000 0.815 351 A HN 0.083 nan 8.150 nan 0.000 0.443 352 V N 0.069 119.994 119.914 0.018 0.000 2.379 352 V HA -0.200 3.919 4.120 -0.001 0.000 0.245 352 V C 2.512 178.620 176.094 0.022 0.000 1.044 352 V CA 1.698 64.010 62.300 0.020 0.000 1.036 352 V CB -0.754 31.082 31.823 0.023 0.000 0.664 352 V HN 0.554 nan 8.190 nan 0.000 0.453 353 L N -0.145 121.098 121.223 0.033 0.000 2.083 353 L HA -0.187 4.153 4.340 -0.001 0.000 0.209 353 L C 2.371 179.254 176.870 0.022 0.000 1.083 353 L CA 1.481 56.347 54.840 0.042 0.000 0.752 353 L CB -0.796 41.307 42.059 0.075 0.000 0.899 353 L HN 0.320 nan 8.230 nan 0.000 0.433 354 D N 0.265 120.675 120.400 0.017 0.000 2.149 354 D HA -0.122 4.517 4.640 -0.001 0.000 0.198 354 D C 1.575 177.870 176.300 -0.010 0.000 0.990 354 D CA 1.682 55.683 54.000 0.000 0.000 0.839 354 D CB -0.110 40.690 40.800 0.000 0.000 0.948 354 D HN 0.451 nan 8.370 nan 0.000 0.460 355 G N -0.807 107.990 108.800 -0.004 0.000 2.157 355 G HA2 0.033 3.992 3.960 -0.001 0.000 0.114 355 G HA3 0.033 3.992 3.960 -0.001 0.000 0.114 355 G C 0.132 175.029 174.900 -0.006 0.000 1.041 355 G CA 0.030 45.128 45.100 -0.003 0.000 0.714 355 G HN 0.524 nan 8.290 nan 0.000 0.492 356 A N 0.234 123.049 122.820 -0.007 0.000 2.450 356 A HA 0.552 4.871 4.320 -0.001 0.000 0.255 356 A C 1.225 178.801 177.584 -0.013 0.000 1.096 356 A CA 0.664 52.690 52.037 -0.018 0.000 0.778 356 A CB 0.310 19.299 19.000 -0.018 0.000 1.031 356 A HN 0.275 nan 8.150 nan 0.000 0.494 357 D N 0.917 121.298 120.400 -0.032 0.000 2.117 357 D HA -0.063 4.577 4.640 -0.001 0.000 0.198 357 D C 0.172 176.466 176.300 -0.010 0.000 0.982 357 D CA 1.392 55.376 54.000 -0.026 0.000 0.828 357 D CB 0.132 40.874 40.800 -0.096 0.000 0.967 357 D HN 0.556 nan 8.370 nan 0.000 0.464 358 C N 0.475 119.758 119.300 -0.028 0.000 2.707 358 C HA 0.626 5.085 4.460 -0.001 0.000 0.313 358 C C 0.066 175.047 174.990 -0.014 0.000 1.209 358 C CA -1.017 57.995 59.018 -0.011 0.000 1.635 358 C CB 1.748 29.476 27.740 -0.020 0.000 2.206 358 C HN 0.173 nan 8.230 nan 0.000 0.485 359 I N 0.158 120.731 120.570 0.005 0.000 2.846 359 I HA 0.814 4.983 4.170 -0.001 0.000 0.307 359 I C -0.772 175.357 176.117 0.019 0.000 1.053 359 I CA -0.857 60.447 61.300 0.007 0.000 1.050 359 I CB 1.720 39.730 38.000 0.017 0.000 1.239 359 I HN 0.651 nan 8.210 nan 0.000 0.439 360 M N 4.006 123.619 119.600 0.022 0.000 2.572 360 M HA 0.636 5.115 4.480 -0.001 0.000 0.299 360 M C -2.036 174.294 176.300 0.051 0.000 1.205 360 M CA -0.660 54.665 55.300 0.041 0.000 0.876 360 M CB 2.680 35.300 32.600 0.034 0.000 1.728 360 M HN 0.611 nan 8.290 nan 0.000 0.458 361 L N 1.933 123.196 121.223 0.066 0.000 2.362 361 L HA 0.546 4.885 4.340 -0.001 0.000 0.275 361 L C -0.292 176.626 176.870 0.081 0.000 0.998 361 L CA -0.287 54.594 54.840 0.067 0.000 0.820 361 L CB 2.204 44.301 42.059 0.064 0.000 1.270 361 L HN 0.783 nan 8.230 nan 0.000 0.415 362 S N 1.067 116.814 115.700 0.078 0.000 3.200 362 S HA 0.173 4.642 4.470 -0.001 0.000 0.173 362 S C 1.579 176.227 174.600 0.079 0.000 0.768 362 S CA 0.401 58.653 58.200 0.088 0.000 1.018 362 S CB -0.170 63.082 63.200 0.087 0.000 0.769 362 S HN 0.868 nan 8.310 nan 0.000 0.736 363 G N 1.151 109.993 108.800 0.070 0.000 2.462 363 G HA2 -0.194 3.765 3.960 -0.001 0.000 0.220 363 G HA3 -0.194 3.765 3.960 -0.001 0.000 0.220 363 G C 1.019 175.954 174.900 0.059 0.000 1.121 363 G CA 1.140 46.276 45.100 0.060 0.000 0.758 363 G HN 0.524 nan 8.290 nan 0.000 0.559 364 E N 0.086 120.325 120.200 0.064 0.000 2.097 364 E HA -0.142 4.207 4.350 -0.001 0.000 0.196 364 E C 2.787 179.429 176.600 0.071 0.000 1.000 364 E CA 2.017 58.459 56.400 0.070 0.000 0.804 364 E CB -0.235 29.506 29.700 0.068 0.000 0.740 364 E HN 0.623 nan 8.360 nan 0.000 0.454 365 T N -3.061 111.533 114.554 0.067 0.000 3.000 365 T HA 0.386 4.735 4.350 -0.001 0.000 0.248 365 T C 1.939 176.675 174.700 0.060 0.000 1.034 365 T CA 0.242 62.379 62.100 0.063 0.000 1.060 365 T CB 0.153 69.059 68.868 0.064 0.000 0.983 365 T HN 0.141 nan 8.240 nan 0.000 0.482 366 A N 3.318 126.179 122.820 0.067 0.000 1.872 366 A HA 0.063 4.383 4.320 -0.001 0.000 0.214 366 A C 2.184 179.799 177.584 0.053 0.000 1.187 366 A CA 1.555 53.635 52.037 0.072 0.000 0.614 366 A CB -0.324 18.727 19.000 0.085 0.000 0.826 366 A HN 0.715 nan 8.150 nan 0.000 0.442 367 K N -1.489 118.934 120.400 0.040 0.000 2.477 367 K HA 0.305 4.624 4.320 -0.001 0.000 0.208 367 K C 0.765 177.371 176.600 0.010 0.000 1.117 367 K CA 0.266 56.565 56.287 0.020 0.000 1.039 367 K CB 0.051 32.558 32.500 0.010 0.000 0.937 367 K HN 0.254 nan 8.250 nan 0.000 0.570 368 G N 0.999 109.813 108.800 0.023 0.000 2.636 368 G HA2 -0.001 3.958 3.960 -0.001 0.000 0.246 368 G HA3 -0.001 3.958 3.960 -0.001 0.000 0.246 368 G C -0.157 174.722 174.900 -0.034 0.000 1.216 368 G CA -0.307 44.807 45.100 0.024 0.000 0.854 368 G HN 0.091 nan 8.290 nan 0.000 0.572 369 D N -0.762 119.586 120.400 -0.085 0.000 2.277 369 D HA -0.009 4.630 4.640 -0.001 0.000 0.208 369 D C -0.114 175.820 176.300 -0.610 0.000 0.962 369 D CA 1.188 54.976 54.000 -0.353 0.000 0.865 369 D CB 0.222 40.740 40.800 -0.470 0.000 0.939 369 D HN 0.409 nan 8.370 nan 0.000 0.510 370 Y N -0.110 120.200 120.300 0.017 0.000 2.584 370 Y HA 0.221 4.770 4.550 -0.001 0.000 0.358 370 Y C -1.690 174.222 175.900 0.021 0.000 1.028 370 Y CA -1.774 56.336 58.100 0.017 0.000 1.148 370 Y CB 1.442 39.912 38.460 0.016 0.000 1.126 370 Y HN -0.109 nan 8.280 nan 0.000 0.658 371 P HA -0.158 nan 4.420 nan 0.000 0.215 371 P C 1.421 178.770 177.300 0.081 0.000 1.157 371 P CA 1.437 64.583 63.100 0.076 0.000 0.863 371 P CB 0.693 32.418 31.700 0.043 0.000 0.787 372 L N -0.621 120.650 121.223 0.080 0.000 2.093 372 L HA -0.130 4.210 4.340 -0.001 0.000 0.208 372 L C 2.536 179.451 176.870 0.074 0.000 1.085 372 L CA 1.537 56.417 54.840 0.066 0.000 0.755 372 L CB -1.059 41.034 42.059 0.057 0.000 0.904 372 L HN -0.075 nan 8.230 nan 0.000 0.435 373 E N 0.474 120.739 120.200 0.108 0.000 2.150 373 E HA -0.152 4.197 4.350 -0.001 0.000 0.193 373 E C 2.246 178.887 176.600 0.067 0.000 0.985 373 E CA 1.197 57.647 56.400 0.084 0.000 0.814 373 E CB -0.263 29.489 29.700 0.085 0.000 0.752 373 E HN 0.434 nan 8.360 nan 0.000 0.466 374 A N 0.347 123.217 122.820 0.083 0.000 1.930 374 A HA -0.115 4.204 4.320 -0.001 0.000 0.217 374 A C 2.377 179.998 177.584 0.062 0.000 1.175 374 A CA 1.143 53.221 52.037 0.069 0.000 0.627 374 A CB -0.474 18.574 19.000 0.079 0.000 0.815 374 A HN 0.149 nan 8.150 nan 0.000 0.443 375 V N -0.085 119.865 119.914 0.060 0.000 2.283 375 V HA -0.238 3.881 4.120 -0.001 0.000 0.243 375 V C 2.562 178.698 176.094 0.071 0.000 1.039 375 V CA 2.146 64.478 62.300 0.055 0.000 1.016 375 V CB -0.865 30.978 31.823 0.033 0.000 0.650 375 V HN 0.513 nan 8.190 nan 0.000 0.449 376 R N -0.607 119.928 120.500 0.059 0.000 2.105 376 R HA -0.224 4.115 4.340 -0.001 0.000 0.239 376 R C 2.235 178.607 176.300 0.119 0.000 1.135 376 R CA 2.025 58.171 56.100 0.077 0.000 0.967 376 R CB -0.471 29.858 30.300 0.048 0.000 0.861 376 R HN 0.413 nan 8.270 nan 0.000 0.442 377 M N 0.886 120.533 119.600 0.079 0.000 2.099 377 M HA -0.141 4.339 4.480 -0.001 0.000 0.262 377 M C 1.912 178.250 176.300 0.063 0.000 1.067 377 M CA 1.734 57.070 55.300 0.061 0.000 1.124 377 M CB -0.133 32.489 32.600 0.035 0.000 1.353 377 M HN 0.033 nan 8.290 nan 0.000 0.410 378 Q N -1.284 118.558 119.800 0.070 0.000 2.096 378 Q HA -0.278 4.061 4.340 -0.001 0.000 0.204 378 Q C 2.149 178.194 176.000 0.075 0.000 0.982 378 Q CA 2.164 58.005 55.803 0.063 0.000 0.850 378 Q CB -0.565 28.210 28.738 0.063 0.000 0.901 378 Q HN 0.767 nan 8.270 nan 0.000 0.422 379 H N 0.554 119.635 119.070 0.018 0.000 2.319 379 H HA -0.115 4.440 4.556 -0.001 0.000 0.299 379 H C 1.892 177.233 175.328 0.021 0.000 1.092 379 H CA 1.705 57.764 56.048 0.019 0.000 1.302 379 H CB -0.207 29.565 29.762 0.016 0.000 1.373 379 H HN 0.119 nan 8.280 nan 0.000 0.497 380 L N -0.321 120.887 121.223 -0.025 0.000 2.017 380 L HA -0.156 4.183 4.340 -0.001 0.000 0.208 380 L C 2.568 179.390 176.870 -0.080 0.000 1.073 380 L CA 1.523 56.319 54.840 -0.073 0.000 0.745 380 L CB -0.398 41.678 42.059 0.030 0.000 0.894 380 L HN 0.361 nan 8.230 nan 0.000 0.432 381 I N -0.166 120.384 120.570 -0.033 0.000 2.202 381 I HA -0.244 3.925 4.170 -0.001 0.000 0.242 381 I C 2.849 178.949 176.117 -0.029 0.000 1.091 381 I CA 1.142 62.430 61.300 -0.020 0.000 1.368 381 I CB -0.554 37.446 38.000 -0.000 0.000 1.058 381 I HN 0.165 nan 8.210 nan 0.000 0.410 382 A N 0.878 123.677 122.820 -0.035 0.000 1.908 382 A HA -0.281 4.038 4.320 -0.001 0.000 0.218 382 A C 2.443 180.001 177.584 -0.044 0.000 1.181 382 A CA 2.122 54.144 52.037 -0.026 0.000 0.627 382 A CB -0.747 18.244 19.000 -0.016 0.000 0.818 382 A HN 0.371 nan 8.150 nan 0.000 0.445 383 R N -0.498 119.935 120.500 -0.111 0.000 2.096 383 R HA -0.138 4.201 4.340 -0.001 0.000 0.235 383 R C 1.982 178.255 176.300 -0.045 0.000 1.127 383 R CA 1.597 57.630 56.100 -0.111 0.000 0.968 383 R CB -0.173 29.986 30.300 -0.235 0.000 0.861 383 R HN 0.543 nan 8.270 nan 0.000 0.440 384 E N 0.030 120.206 120.200 -0.039 0.000 2.106 384 E HA -0.147 4.203 4.350 -0.001 0.000 0.192 384 E C 1.869 178.482 176.600 0.022 0.000 0.984 384 E CA 1.240 57.637 56.400 -0.005 0.000 0.806 384 E CB -0.128 29.567 29.700 -0.008 0.000 0.750 384 E HN 0.472 nan 8.360 nan 0.000 0.458 385 A N 1.389 124.222 122.820 0.020 0.000 1.929 385 A HA -0.173 4.146 4.320 -0.001 0.000 0.216 385 A C 2.013 179.635 177.584 0.064 0.000 1.176 385 A CA 1.264 53.325 52.037 0.042 0.000 0.628 385 A CB -0.397 18.621 19.000 0.031 0.000 0.816 385 A HN 0.163 nan 8.150 nan 0.000 0.444 386 E N -0.050 120.184 120.200 0.056 0.000 2.097 386 E HA -0.186 4.163 4.350 -0.001 0.000 0.196 386 E C 2.220 178.919 176.600 0.165 0.000 1.000 386 E CA 1.243 57.697 56.400 0.090 0.000 0.804 386 E CB -0.308 29.432 29.700 0.068 0.000 0.740 386 E HN 0.624 nan 8.360 nan 0.000 0.454 387 A N 0.919 123.822 122.820 0.139 0.000 1.972 387 A HA -0.050 4.269 4.320 -0.001 0.000 0.219 387 A C 2.229 179.948 177.584 0.225 0.000 1.169 387 A CA 1.528 53.673 52.037 0.180 0.000 0.635 387 A CB -0.357 18.706 19.000 0.106 0.000 0.810 387 A HN 0.283 nan 8.150 nan 0.000 0.446 388 A N -0.783 122.142 122.820 0.175 0.000 2.218 388 A HA 0.383 4.702 4.320 -0.001 0.000 0.209 388 A C 0.822 178.598 177.584 0.320 0.000 1.168 388 A CA -0.296 51.863 52.037 0.204 0.000 0.804 388 A CB -0.393 18.677 19.000 0.115 0.000 0.834 388 A HN 0.448 nan 8.150 nan 0.000 0.482 389 I N -0.161 120.514 120.570 0.176 0.000 2.752 389 I HA -0.110 4.059 4.170 -0.001 0.000 0.287 389 I C 0.388 176.502 176.117 -0.006 0.000 1.188 389 I CA 0.080 61.382 61.300 0.003 0.000 1.427 389 I CB 0.364 38.167 38.000 -0.327 0.000 1.365 389 I HN 0.350 nan 8.210 nan 0.000 0.585 390 Y N 6.614 126.769 120.300 -0.241 0.000 2.736 390 Y HA 0.149 4.698 4.550 -0.001 0.000 0.339 390 Y C 1.140 176.924 175.900 -0.193 0.000 1.301 390 Y CA -0.632 57.211 58.100 -0.430 0.000 1.676 390 Y CB -0.762 37.438 38.460 -0.432 0.000 1.725 390 Y HN 0.519 nan 8.280 nan 0.000 0.466 391 H N 1.262 120.271 119.070 -0.101 0.000 2.353 391 H HA -0.226 4.329 4.556 -0.002 0.000 0.298 391 H C 2.009 177.120 175.328 -0.361 0.000 1.103 391 H CA 2.249 58.211 56.048 -0.144 0.000 1.293 391 H CB 0.009 29.730 29.762 -0.068 0.000 1.372 391 H HN 0.568 nan 8.280 nan 0.000 0.501 392 L N 0.754 121.750 121.223 -0.377 0.000 1.997 392 L HA -0.293 4.046 4.340 -0.001 0.000 0.216 392 L C 2.361 178.960 176.870 -0.453 0.000 1.074 392 L CA 2.129 56.700 54.840 -0.449 0.000 0.763 392 L CB -0.640 41.153 42.059 -0.444 0.000 0.890 392 L HN 0.365 nan 8.230 nan 0.000 0.434 393 Q N -1.625 117.724 119.800 -0.751 0.000 2.163 393 Q HA -0.151 4.188 4.340 -0.001 0.000 0.198 393 Q C 2.215 178.082 176.000 -0.222 0.000 0.954 393 Q CA 1.149 56.696 55.803 -0.427 0.000 0.851 393 Q CB -0.152 28.349 28.738 -0.395 0.000 0.928 393 Q HN 0.503 nan 8.270 nan 0.000 0.459 394 L N 0.403 121.506 121.223 -0.200 0.000 1.989 394 L HA -0.161 4.179 4.340 -0.001 0.000 0.211 394 L C 2.012 178.915 176.870 0.055 0.000 1.071 394 L CA 1.946 56.752 54.840 -0.056 0.000 0.749 394 L CB -0.891 41.146 42.059 -0.037 0.000 0.890 394 L HN 0.401 nan 8.230 nan 0.000 0.431 395 F N 0.240 120.144 119.950 -0.075 0.000 2.134 395 F HA -0.222 4.304 4.527 -0.001 0.000 0.299 395 F C 2.344 178.134 175.800 -0.017 0.000 1.097 395 F CA 1.778 59.780 58.000 0.003 0.000 1.264 395 F CB -0.056 38.887 39.000 -0.095 0.000 1.001 395 F HN 0.222 nan 8.300 nan 0.000 0.479 396 E N 0.128 120.239 120.200 -0.148 0.000 2.070 396 E HA -0.271 4.078 4.350 -0.001 0.000 0.197 396 E C 2.060 178.551 176.600 -0.181 0.000 1.004 396 E CA 1.885 58.158 56.400 -0.211 0.000 0.805 396 E CB -0.251 29.367 29.700 -0.137 0.000 0.744 396 E HN 0.605 nan 8.360 nan 0.000 0.451 397 E N 0.446 120.575 120.200 -0.119 0.000 2.072 397 E HA -0.139 4.211 4.350 -0.001 0.000 0.190 397 E C 2.284 178.845 176.600 -0.065 0.000 0.982 397 E CA 0.568 56.919 56.400 -0.082 0.000 0.803 397 E CB -0.032 29.630 29.700 -0.063 0.000 0.755 397 E HN 0.229 nan 8.360 nan 0.000 0.453 398 L N 0.857 122.054 121.223 -0.043 0.000 2.046 398 L HA -0.207 4.133 4.340 -0.001 0.000 0.208 398 L C 2.736 179.625 176.870 0.031 0.000 1.077 398 L CA 1.602 56.450 54.840 0.013 0.000 0.747 398 L CB -0.373 41.757 42.059 0.119 0.000 0.896 398 L HN 0.114 nan 8.230 nan 0.000 0.432 399 R N -0.198 120.223 120.500 -0.130 0.000 2.148 399 R HA -0.083 4.256 4.340 -0.001 0.000 0.223 399 R C 2.191 178.426 176.300 -0.108 0.000 1.088 399 R CA 0.910 56.903 56.100 -0.179 0.000 0.985 399 R CB -0.310 29.640 30.300 -0.584 0.000 0.880 399 R HN 0.194 nan 8.270 nan 0.000 0.451 400 R N 0.390 120.827 120.500 -0.105 0.000 2.090 400 R HA 0.037 4.376 4.340 -0.001 0.000 0.228 400 R C 1.702 177.984 176.300 -0.031 0.000 1.110 400 R CA 1.463 57.524 56.100 -0.065 0.000 0.973 400 R CB -0.208 30.053 30.300 -0.066 0.000 0.869 400 R HN 0.341 nan 8.270 nan 0.000 0.440 401 L N 0.297 121.507 121.223 -0.021 0.000 2.805 401 L HA 0.606 4.945 4.340 -0.001 0.000 0.237 401 L C 0.404 177.279 176.870 0.009 0.000 1.252 401 L CA 0.165 54.999 54.840 -0.010 0.000 1.064 401 L CB -0.543 41.505 42.059 -0.019 0.000 1.361 401 L HN 0.151 nan 8.230 nan 0.000 0.474 402 A N -0.176 122.665 122.820 0.034 0.000 2.449 402 A HA 0.905 5.224 4.320 -0.001 0.000 0.302 402 A C -2.834 174.785 177.584 0.058 0.000 1.048 402 A CA -1.149 50.930 52.037 0.070 0.000 0.708 402 A CB 0.945 20.055 19.000 0.183 0.000 1.274 402 A HN 0.303 nan 8.150 nan 0.000 0.410 403 P HA 0.539 nan 4.420 nan 0.000 0.282 403 P C -0.682 176.640 177.300 0.037 0.000 1.259 403 P CA -0.494 62.627 63.100 0.034 0.000 0.826 403 P CB 0.600 32.317 31.700 0.027 0.000 1.064 404 I N 1.611 122.194 120.570 0.022 0.000 2.349 404 I HA 0.058 4.228 4.170 -0.001 0.000 0.302 404 I C 1.073 177.202 176.117 0.021 0.000 1.180 404 I CA 0.091 61.402 61.300 0.018 0.000 1.405 404 I CB -0.672 37.333 38.000 0.008 0.000 1.474 404 I HN 0.422 nan 8.210 nan 0.000 0.632 405 T N 0.750 115.322 114.554 0.029 0.000 2.897 405 T HA 0.467 4.817 4.350 -0.001 0.000 0.278 405 T C 1.019 175.734 174.700 0.026 0.000 0.981 405 T CA -0.283 61.834 62.100 0.028 0.000 0.973 405 T CB 1.700 70.590 68.868 0.036 0.000 1.092 405 T HN 0.482 nan 8.240 nan 0.000 0.543 406 S N -0.846 114.869 115.700 0.024 0.000 2.577 406 S HA 0.243 4.712 4.470 -0.001 0.000 0.219 406 S C 0.602 175.220 174.600 0.031 0.000 0.962 406 S CA -0.372 57.843 58.200 0.024 0.000 0.921 406 S CB -0.392 62.820 63.200 0.020 0.000 0.789 406 S HN 0.786 nan 8.310 nan 0.000 0.497 407 D N 2.098 122.520 120.400 0.036 0.000 2.346 407 D HA 0.255 4.894 4.640 -0.001 0.000 0.260 407 D C -1.640 174.691 176.300 0.050 0.000 1.252 407 D CA -2.098 51.927 54.000 0.042 0.000 0.895 407 D CB 1.422 42.246 40.800 0.041 0.000 1.097 407 D HN 0.000 nan 8.370 nan 0.000 0.489 408 P HA -0.161 nan 4.420 nan 0.000 0.215 408 P C 1.358 178.702 177.300 0.074 0.000 1.153 408 P CA 1.749 64.891 63.100 0.070 0.000 0.853 408 P CB -0.090 31.672 31.700 0.103 0.000 0.788 409 T N -2.376 112.222 114.554 0.074 0.000 2.759 409 T HA -0.178 4.171 4.350 -0.001 0.000 0.269 409 T C 1.670 176.413 174.700 0.071 0.000 1.042 409 T CA 1.312 63.452 62.100 0.067 0.000 1.140 409 T CB -0.976 67.915 68.868 0.039 0.000 0.864 409 T HN 0.232 nan 8.240 nan 0.000 0.455 410 E N 1.517 121.763 120.200 0.078 0.000 2.072 410 E HA 0.088 4.437 4.350 -0.001 0.000 0.191 410 E C 2.668 179.312 176.600 0.074 0.000 0.985 410 E CA 0.899 57.365 56.400 0.110 0.000 0.801 410 E CB -0.346 29.426 29.700 0.121 0.000 0.750 410 E HN 0.684 nan 8.360 nan 0.000 0.452 411 A N 0.923 123.770 122.820 0.046 0.000 1.898 411 A HA -0.159 4.160 4.320 -0.001 0.000 0.216 411 A C 2.356 179.947 177.584 0.012 0.000 1.181 411 A CA 1.757 53.804 52.037 0.016 0.000 0.620 411 A CB -0.805 18.207 19.000 0.020 0.000 0.819 411 A HN 0.165 nan 8.150 nan 0.000 0.442 412 T N 0.408 114.983 114.554 0.036 0.000 2.746 412 T HA -0.018 4.331 4.350 -0.001 0.000 0.267 412 T C 2.244 176.961 174.700 0.029 0.000 1.039 412 T CA 1.557 63.680 62.100 0.038 0.000 1.142 412 T CB -0.486 68.420 68.868 0.063 0.000 0.866 412 T HN 0.594 nan 8.240 nan 0.000 0.444 413 A N 0.860 123.708 122.820 0.046 0.000 1.865 413 A HA -0.074 4.245 4.320 -0.001 0.000 0.217 413 A C 2.587 180.179 177.584 0.014 0.000 1.191 413 A CA 1.712 53.788 52.037 0.066 0.000 0.623 413 A CB -1.222 17.869 19.000 0.152 0.000 0.826 413 A HN 0.340 nan 8.150 nan 0.000 0.444 414 V N -0.045 119.810 119.914 -0.098 0.000 2.427 414 V HA -0.061 4.058 4.120 -0.001 0.000 0.248 414 V C 2.432 178.483 176.094 -0.071 0.000 1.051 414 V CA 2.292 64.422 62.300 -0.284 0.000 1.048 414 V CB -0.800 30.667 31.823 -0.594 0.000 0.666 414 V HN 0.576 nan 8.190 nan 0.000 0.456 415 G N -0.854 107.924 108.800 -0.037 0.000 2.432 415 G HA2 -0.179 3.780 3.960 -0.001 0.000 0.219 415 G HA3 -0.179 3.780 3.960 -0.001 0.000 0.219 415 G C 1.733 176.626 174.900 -0.011 0.000 1.135 415 G CA 0.951 46.049 45.100 -0.003 0.000 0.767 415 G HN 0.695 nan 8.290 nan 0.000 0.550 416 A N 0.187 122.994 122.820 -0.022 0.000 1.898 416 A HA 0.102 4.421 4.320 -0.001 0.000 0.216 416 A C 2.586 180.112 177.584 -0.098 0.000 1.181 416 A CA 1.739 53.750 52.037 -0.044 0.000 0.620 416 A CB -0.593 18.391 19.000 -0.027 0.000 0.819 416 A HN 0.235 nan 8.150 nan 0.000 0.442 417 V N -0.014 119.838 119.914 -0.104 0.000 2.358 417 V HA -0.236 3.883 4.120 -0.001 0.000 0.246 417 V C 2.549 178.456 176.094 -0.311 0.000 1.047 417 V CA 2.387 64.539 62.300 -0.246 0.000 1.035 417 V CB -0.706 31.044 31.823 -0.121 0.000 0.658 417 V HN 0.733 nan 8.190 nan 0.000 0.452 418 E N 0.984 121.134 120.200 -0.083 0.000 2.023 418 E HA -0.242 4.107 4.350 -0.001 0.000 0.196 418 E C 2.190 178.791 176.600 0.002 0.000 1.003 418 E CA 1.946 58.371 56.400 0.043 0.000 0.809 418 E CB -0.619 29.177 29.700 0.160 0.000 0.755 418 E HN 0.478 nan 8.360 nan 0.000 0.449 419 A N 0.313 123.115 122.820 -0.029 0.000 1.927 419 A HA -0.293 4.026 4.320 -0.001 0.000 0.220 419 A C 2.438 179.970 177.584 -0.087 0.000 1.185 419 A CA 3.021 55.033 52.037 -0.042 0.000 0.639 419 A CB -1.315 17.657 19.000 -0.046 0.000 0.820 419 A HN 0.490 nan 8.150 nan 0.000 0.451 420 S N -1.150 114.441 115.700 -0.182 0.000 2.382 420 S HA -0.141 4.328 4.470 -0.001 0.000 0.228 420 S C 1.723 176.162 174.600 -0.269 0.000 1.027 420 S CA 1.529 59.570 58.200 -0.265 0.000 0.991 420 S CB -0.754 62.208 63.200 -0.398 0.000 0.823 420 S HN 0.355 nan 8.310 nan 0.000 0.469 421 F N 2.296 122.131 119.950 -0.192 0.000 2.186 421 F HA 0.209 4.735 4.527 -0.002 0.000 0.299 421 F C 2.540 178.274 175.800 -0.111 0.000 1.090 421 F CA 1.117 59.004 58.000 -0.187 0.000 1.307 421 F CB -0.631 38.211 39.000 -0.263 0.000 1.019 421 F HN 0.208 nan 8.300 nan 0.000 0.489 422 K N 0.724 121.177 120.400 0.088 0.000 2.097 422 K HA -0.131 4.189 4.320 -0.001 0.000 0.205 422 K C 1.730 178.344 176.600 0.023 0.000 1.050 422 K CA 1.748 58.066 56.287 0.052 0.000 0.938 422 K CB -0.601 31.920 32.500 0.036 0.000 0.718 422 K HN 0.397 nan 8.250 nan 0.000 0.442 423 C N -2.082 117.215 119.300 -0.004 0.000 3.000 423 C HA 0.429 4.889 4.460 -0.001 0.000 0.286 423 C C 0.712 175.689 174.990 -0.021 0.000 1.343 423 C CA -0.836 58.173 59.018 -0.014 0.000 1.742 423 C CB -1.856 25.866 27.740 -0.030 0.000 2.200 423 C HN 0.508 nan 8.230 nan 0.000 0.621 424 C N 3.915 123.204 119.300 -0.019 0.000 3.563 424 C HA -0.094 4.365 4.460 -0.001 0.000 0.284 424 C C 0.997 175.956 174.990 -0.053 0.000 1.356 424 C CA 0.785 59.785 59.018 -0.030 0.000 2.166 424 C CB -2.988 24.754 27.740 0.003 0.000 1.399 424 C HN 1.067 nan 8.230 nan 0.000 0.583 425 S N 1.318 116.963 115.700 -0.092 0.000 2.579 425 S HA 0.466 4.936 4.470 -0.001 0.000 0.275 425 S C 1.419 175.982 174.600 -0.061 0.000 1.345 425 S CA 0.267 58.413 58.200 -0.091 0.000 1.031 425 S CB 1.657 64.784 63.200 -0.122 0.000 0.892 425 S HN 1.431 nan 8.310 nan 0.000 0.529 426 G N 0.852 109.636 108.800 -0.027 0.000 2.484 426 G HA2 0.431 4.390 3.960 -0.001 0.000 0.218 426 G HA3 0.431 4.390 3.960 -0.001 0.000 0.218 426 G C 0.367 175.378 174.900 0.185 0.000 1.130 426 G CA 0.390 45.561 45.100 0.117 0.000 0.784 426 G HN 1.408 nan 8.290 nan 0.000 0.543 427 A N -1.080 121.768 122.820 0.047 0.000 2.601 427 A HA 0.658 4.977 4.320 -0.001 0.000 0.291 427 A C -1.641 175.920 177.584 -0.039 0.000 1.075 427 A CA -0.715 51.360 52.037 0.065 0.000 0.671 427 A CB 0.671 19.863 19.000 0.319 0.000 1.277 427 A HN 0.125 nan 8.150 nan 0.000 0.417 428 I N 1.565 122.113 120.570 -0.036 0.000 2.354 428 I HA 0.357 4.526 4.170 -0.001 0.000 0.286 428 I C -0.774 175.341 176.117 -0.003 0.000 1.007 428 I CA -0.203 61.069 61.300 -0.047 0.000 1.167 428 I CB 1.232 39.191 38.000 -0.069 0.000 1.320 428 I HN 0.449 nan 8.210 nan 0.000 0.458 429 I N 7.080 127.650 120.570 -0.000 0.000 2.342 429 I HA 0.357 4.526 4.170 -0.001 0.000 0.291 429 I C -0.498 175.628 176.117 0.015 0.000 1.010 429 I CA -0.582 60.734 61.300 0.026 0.000 1.308 429 I CB 1.398 39.414 38.000 0.027 0.000 1.400 429 I HN 0.209 nan 8.210 nan 0.000 0.488 430 V N 7.217 127.146 119.914 0.024 0.000 2.569 430 V HA 0.358 4.477 4.120 -0.001 0.000 0.301 430 V C -0.044 176.065 176.094 0.025 0.000 1.044 430 V CA -0.677 61.633 62.300 0.017 0.000 0.874 430 V CB 1.803 33.626 31.823 0.001 0.000 1.002 430 V HN 0.472 nan 8.190 nan 0.000 0.424 431 L N 3.589 124.830 121.223 0.031 0.000 2.349 431 L HA 0.718 5.057 4.340 -0.001 0.000 0.275 431 L C 0.280 177.166 176.870 0.025 0.000 1.115 431 L CA 0.324 55.188 54.840 0.039 0.000 0.820 431 L CB 1.361 43.447 42.059 0.044 0.000 1.135 431 L HN 0.770 nan 8.230 nan 0.000 0.445 432 T N 1.374 115.938 114.554 0.017 0.000 3.159 432 T HA 0.263 4.612 4.350 -0.001 0.000 0.343 432 T C 0.123 174.817 174.700 -0.010 0.000 1.364 432 T CA -0.606 61.483 62.100 -0.019 0.000 1.102 432 T CB 1.605 70.425 68.868 -0.079 0.000 1.263 432 T HN 0.706 nan 8.240 nan 0.000 0.477 433 K N 1.244 121.634 120.400 -0.017 0.000 2.172 433 K HA 0.110 4.429 4.320 -0.001 0.000 0.203 433 K C 2.227 178.812 176.600 -0.024 0.000 1.040 433 K CA 1.022 57.305 56.287 -0.006 0.000 0.974 433 K CB 0.006 32.507 32.500 0.002 0.000 0.857 433 K HN 0.589 nan 8.250 nan 0.000 0.464 434 S N -0.521 115.147 115.700 -0.054 0.000 2.501 434 S HA 0.142 4.611 4.470 -0.001 0.000 0.220 434 S C 1.585 176.117 174.600 -0.113 0.000 0.997 434 S CA 0.557 58.722 58.200 -0.057 0.000 0.919 434 S CB 0.412 63.576 63.200 -0.060 0.000 0.778 434 S HN 0.486 nan 8.310 nan 0.000 0.523 435 G N 1.017 109.688 108.800 -0.215 0.000 2.241 435 G HA2 -0.362 3.597 3.960 -0.001 0.000 0.244 435 G HA3 -0.362 3.597 3.960 -0.001 0.000 0.244 435 G C 1.057 175.335 174.900 -1.037 0.000 0.998 435 G CA 0.629 45.451 45.100 -0.463 0.000 0.621 435 G HN 0.559 nan 8.290 nan 0.000 0.519 436 R N 0.979 121.082 120.500 -0.662 0.000 2.103 436 R HA -0.061 4.278 4.340 -0.001 0.000 0.242 436 R C 3.007 179.107 176.300 -0.334 0.000 1.142 436 R CA 2.896 58.708 56.100 -0.480 0.000 0.960 436 R CB -1.264 28.927 30.300 -0.180 0.000 0.858 436 R HN 0.758 nan 8.270 nan 0.000 0.439 437 S N -0.167 115.391 115.700 -0.236 0.000 2.370 437 S HA -0.088 4.382 4.470 -0.001 0.000 0.226 437 S C 2.194 176.726 174.600 -0.113 0.000 1.033 437 S CA 1.248 59.376 58.200 -0.120 0.000 1.011 437 S CB -0.574 62.585 63.200 -0.070 0.000 0.852 437 S HN 0.745 nan 8.310 nan 0.000 0.457 438 A N 1.622 124.330 122.820 -0.187 0.000 1.930 438 A HA -0.122 4.198 4.320 -0.001 0.000 0.217 438 A C 1.796 179.325 177.584 -0.092 0.000 1.175 438 A CA 1.343 53.308 52.037 -0.120 0.000 0.627 438 A CB -0.796 18.138 19.000 -0.111 0.000 0.815 438 A HN 0.499 nan 8.150 nan 0.000 0.443 439 H N 0.092 118.979 119.070 -0.305 0.000 2.352 439 H HA -0.144 4.411 4.556 -0.002 0.000 0.299 439 H C 2.133 177.348 175.328 -0.189 0.000 1.097 439 H CA 1.745 57.486 56.048 -0.512 0.000 1.311 439 H CB -0.731 28.625 29.762 -0.676 0.000 1.377 439 H HN 0.662 nan 8.280 nan 0.000 0.504 440 Q N 0.022 119.837 119.800 0.026 0.000 2.096 440 Q HA -0.102 4.237 4.340 -0.001 0.000 0.204 440 Q C 2.525 178.626 176.000 0.170 0.000 0.982 440 Q CA 1.547 57.403 55.803 0.088 0.000 0.850 440 Q CB -0.050 28.740 28.738 0.087 0.000 0.901 440 Q HN 0.226 nan 8.270 nan 0.000 0.422 441 V N 0.728 120.719 119.914 0.128 0.000 2.307 441 V HA -0.242 3.877 4.120 -0.001 0.000 0.245 441 V C 2.238 178.428 176.094 0.160 0.000 1.045 441 V CA 1.737 64.132 62.300 0.157 0.000 1.024 441 V CB -0.916 30.947 31.823 0.067 0.000 0.651 441 V HN 0.398 nan 8.190 nan 0.000 0.449 442 A N -0.062 122.823 122.820 0.108 0.000 1.972 442 A HA -0.261 4.058 4.320 -0.001 0.000 0.219 442 A C 2.395 180.061 177.584 0.137 0.000 1.169 442 A CA 1.934 54.047 52.037 0.127 0.000 0.635 442 A CB -0.638 18.454 19.000 0.154 0.000 0.810 442 A HN 0.478 nan 8.150 nan 0.000 0.446 443 R N -1.680 118.874 120.500 0.090 0.000 2.127 443 R HA -0.183 4.156 4.340 -0.001 0.000 0.238 443 R C 0.966 177.192 176.300 -0.122 0.000 1.134 443 R CA 1.754 57.827 56.100 -0.045 0.000 0.975 443 R CB -0.300 29.890 30.300 -0.182 0.000 0.865 443 R HN 0.603 nan 8.270 nan 0.000 0.447 444 Y N 0.337 120.744 120.300 0.178 0.000 2.471 444 Y HA 0.213 4.762 4.550 -0.001 0.000 0.286 444 Y C 0.229 176.317 175.900 0.313 0.000 1.188 444 Y CA -0.052 58.217 58.100 0.281 0.000 1.286 444 Y CB 0.391 39.068 38.460 0.363 0.000 1.072 444 Y HN -0.055 nan 8.280 nan 0.000 0.517 445 R N -0.410 120.267 120.500 0.294 0.000 3.267 445 R HA -0.141 4.198 4.340 -0.001 0.000 0.254 445 R C -2.961 173.518 176.300 0.299 0.000 0.993 445 R CA 0.220 56.478 56.100 0.263 0.000 0.670 445 R CB -2.130 28.324 30.300 0.256 0.000 1.125 445 R HN 0.277 nan 8.270 nan 0.000 0.434 446 P HA 0.062 nan 4.420 nan 0.000 0.271 446 P C 0.786 178.012 177.300 -0.123 0.000 1.218 446 P CA -0.258 62.696 63.100 -0.245 0.000 0.780 446 P CB 0.587 32.066 31.700 -0.368 0.000 0.901 447 R N 2.328 122.631 120.500 -0.328 0.000 2.081 447 R HA -0.063 4.276 4.340 -0.001 0.000 0.235 447 R C 0.774 176.975 176.300 -0.166 0.000 1.131 447 R CA 1.109 57.065 56.100 -0.241 0.000 0.960 447 R CB -0.567 29.492 30.300 -0.402 0.000 0.856 447 R HN 0.643 nan 8.270 nan 0.000 0.436 448 A N 2.304 124.973 122.820 -0.251 0.000 2.425 448 A HA 0.286 4.605 4.320 -0.001 0.000 0.249 448 A C -2.211 175.286 177.584 -0.144 0.000 1.084 448 A CA -1.335 50.595 52.037 -0.179 0.000 0.781 448 A CB 0.105 18.985 19.000 -0.199 0.000 1.019 448 A HN 0.264 nan 8.150 nan 0.000 0.490 449 P HA 0.258 nan 4.420 nan 0.000 0.275 449 P C -0.837 176.407 177.300 -0.093 0.000 1.228 449 P CA 0.131 63.125 63.100 -0.177 0.000 0.786 449 P CB 0.594 32.049 31.700 -0.408 0.000 0.927 450 I N 3.598 124.134 120.570 -0.056 0.000 2.307 450 I HA 0.262 4.431 4.170 -0.001 0.000 0.287 450 I C 0.666 176.795 176.117 0.020 0.000 1.054 450 I CA -0.557 60.737 61.300 -0.011 0.000 1.218 450 I CB 0.211 38.213 38.000 0.004 0.000 1.398 450 I HN 0.118 nan 8.210 nan 0.000 0.475 451 I N 6.267 126.868 120.570 0.053 0.000 2.329 451 I HA 0.225 4.394 4.170 -0.001 0.000 0.295 451 I C 0.756 176.908 176.117 0.058 0.000 1.109 451 I CA 0.018 61.368 61.300 0.083 0.000 1.297 451 I CB 0.507 38.589 38.000 0.137 0.000 1.433 451 I HN 0.587 nan 8.210 nan 0.000 0.509 452 A N 7.334 130.184 122.820 0.049 0.000 2.279 452 A HA 0.565 4.884 4.320 -0.001 0.000 0.306 452 A C -0.214 177.414 177.584 0.073 0.000 1.300 452 A CA -0.432 51.629 52.037 0.040 0.000 0.925 452 A CB 0.382 19.391 19.000 0.015 0.000 1.152 452 A HN 0.469 nan 8.150 nan 0.000 0.544 453 V N 2.904 122.873 119.914 0.091 0.000 2.383 453 V HA 0.625 4.744 4.120 -0.001 0.000 0.275 453 V C 0.550 176.710 176.094 0.109 0.000 1.036 453 V CA -0.060 62.333 62.300 0.155 0.000 0.889 453 V CB 1.016 32.955 31.823 0.193 0.000 0.985 453 V HN 0.932 nan 8.190 nan 0.000 0.459 454 T N 4.359 118.982 114.554 0.116 0.000 2.916 454 T HA 0.415 4.764 4.350 -0.001 0.000 0.305 454 T C 0.561 175.297 174.700 0.060 0.000 1.119 454 T CA -0.651 61.491 62.100 0.069 0.000 1.008 454 T CB 1.753 70.651 68.868 0.051 0.000 1.129 454 T HN 0.648 nan 8.240 nan 0.000 0.480 455 R N 1.708 122.227 120.500 0.032 0.000 2.300 455 R HA 0.179 4.518 4.340 -0.001 0.000 0.199 455 R C 0.454 176.765 176.300 0.018 0.000 0.920 455 R CA -0.167 55.939 56.100 0.009 0.000 1.046 455 R CB 0.175 30.472 30.300 -0.004 0.000 0.984 455 R HN 0.399 nan 8.270 nan 0.000 0.493 456 N N 1.779 120.497 118.700 0.030 0.000 2.420 456 N HA 0.079 4.818 4.740 -0.001 0.000 0.249 456 N C -2.100 173.441 175.510 0.051 0.000 1.033 456 N CA -1.920 51.149 53.050 0.032 0.000 0.944 456 N CB 1.759 40.263 38.487 0.027 0.000 1.113 456 N HN -0.156 nan 8.380 nan 0.000 0.502 457 P HA -0.107 nan 4.420 nan 0.000 0.218 457 P C 1.163 178.515 177.300 0.086 0.000 1.149 457 P CA 1.014 64.163 63.100 0.082 0.000 0.817 457 P CB 0.452 32.196 31.700 0.073 0.000 0.785 458 Q N -0.774 119.066 119.800 0.066 0.000 2.079 458 Q HA -0.113 4.226 4.340 -0.001 0.000 0.200 458 Q C 1.798 177.845 176.000 0.079 0.000 0.974 458 Q CA 1.781 57.625 55.803 0.068 0.000 0.840 458 Q CB -0.514 28.255 28.738 0.051 0.000 0.898 458 Q HN 0.145 nan 8.270 nan 0.000 0.430 459 T N 0.621 115.216 114.554 0.069 0.000 2.684 459 T HA -0.191 4.158 4.350 -0.001 0.000 0.267 459 T C 1.762 176.506 174.700 0.074 0.000 1.036 459 T CA 1.383 63.526 62.100 0.072 0.000 1.148 459 T CB -0.402 68.490 68.868 0.040 0.000 0.863 459 T HN 0.457 nan 8.240 nan 0.000 0.436 460 A N 1.631 124.491 122.820 0.066 0.000 1.908 460 A HA -0.137 4.182 4.320 -0.001 0.000 0.218 460 A C 2.396 179.983 177.584 0.005 0.000 1.181 460 A CA 1.477 53.540 52.037 0.043 0.000 0.627 460 A CB -0.461 18.598 19.000 0.099 0.000 0.818 460 A HN 0.422 nan 8.150 nan 0.000 0.445 461 R N -0.862 119.691 120.500 0.088 0.000 2.073 461 R HA -0.075 4.264 4.340 -0.001 0.000 0.229 461 R C 2.305 178.705 176.300 0.166 0.000 1.120 461 R CA 1.465 57.658 56.100 0.154 0.000 0.967 461 R CB -0.293 30.098 30.300 0.151 0.000 0.862 461 R HN 0.657 nan 8.270 nan 0.000 0.436 462 Q N -0.019 119.863 119.800 0.137 0.000 2.369 462 Q HA 0.011 4.350 4.340 -0.001 0.000 0.206 462 Q C 1.827 177.949 176.000 0.203 0.000 0.963 462 Q CA 0.938 56.841 55.803 0.166 0.000 0.894 462 Q CB 0.164 28.999 28.738 0.162 0.000 0.965 462 Q HN 0.321 nan 8.270 nan 0.000 0.475 463 A N 0.265 123.173 122.820 0.146 0.000 2.119 463 A HA -0.156 4.164 4.320 -0.001 0.000 0.217 463 A C 1.333 179.006 177.584 0.149 0.000 1.153 463 A CA 0.766 52.913 52.037 0.182 0.000 0.692 463 A CB -0.395 18.644 19.000 0.064 0.000 0.799 463 A HN 0.350 nan 8.150 nan 0.000 0.458 464 H N -0.223 118.951 119.070 0.174 0.000 2.543 464 H HA 0.008 4.564 4.556 -0.001 0.000 0.286 464 H C 1.595 176.984 175.328 0.102 0.000 1.037 464 H CA 1.029 57.154 56.048 0.128 0.000 1.250 464 H CB -0.133 29.687 29.762 0.096 0.000 1.373 464 H HN 0.450 nan 8.280 nan 0.000 0.580 465 L N -0.244 121.091 121.223 0.186 0.000 2.465 465 L HA -0.098 4.241 4.340 -0.001 0.000 0.224 465 L C 0.006 176.746 176.870 -0.216 0.000 1.145 465 L CA 0.614 55.431 54.840 -0.039 0.000 0.834 465 L CB -0.116 41.844 42.059 -0.166 0.000 0.944 465 L HN 0.114 nan 8.230 nan 0.000 0.451 466 Y N -0.787 119.520 120.300 0.011 0.000 2.335 466 Y HA 0.400 4.949 4.550 -0.002 0.000 0.338 466 Y C 0.513 176.435 175.900 0.036 0.000 0.977 466 Y CA -1.366 56.733 58.100 -0.003 0.000 1.114 466 Y CB 0.965 39.412 38.460 -0.022 0.000 1.182 466 Y HN -0.131 nan 8.280 nan 0.000 0.463 467 R N 1.758 122.350 120.500 0.153 0.000 2.494 467 R HA 0.252 4.591 4.340 -0.001 0.000 0.291 467 R C 1.135 177.511 176.300 0.126 0.000 0.953 467 R CA 1.468 57.638 56.100 0.116 0.000 1.098 467 R CB -0.536 29.818 30.300 0.090 0.000 0.911 467 R HN 0.986 nan 8.270 nan 0.000 0.407 468 G N 3.861 112.714 108.800 0.089 0.000 2.268 468 G HA2 -0.273 3.686 3.960 -0.001 0.000 0.240 468 G HA3 -0.273 3.686 3.960 -0.001 0.000 0.240 468 G C 0.240 175.165 174.900 0.042 0.000 1.010 468 G CA 0.101 45.230 45.100 0.048 0.000 0.618 468 G HN 0.575 nan 8.290 nan 0.000 0.516 469 I N 1.688 122.312 120.570 0.090 0.000 2.363 469 I HA 0.443 4.612 4.170 -0.001 0.000 0.292 469 I C 0.961 177.116 176.117 0.063 0.000 1.075 469 I CA 0.159 61.504 61.300 0.074 0.000 1.333 469 I CB 0.000 38.064 38.000 0.106 0.000 1.415 469 I HN 0.245 nan 8.210 nan 0.000 0.502 470 F N 8.471 128.450 119.950 0.049 0.000 2.334 470 F HA 0.511 5.037 4.527 -0.001 0.000 0.365 470 F C -2.410 173.422 175.800 0.053 0.000 1.124 470 F CA -2.903 55.147 58.000 0.083 0.000 1.166 470 F CB -0.158 38.924 39.000 0.137 0.000 1.355 470 F HN 0.320 nan 8.300 nan 0.000 0.532 471 P HA 0.428 nan 4.420 nan 0.000 0.280 471 P C -0.694 176.640 177.300 0.055 0.000 1.244 471 P CA 0.158 63.241 63.100 -0.027 0.000 0.784 471 P CB 1.916 33.511 31.700 -0.175 0.000 0.913 472 V N 1.814 121.798 119.914 0.115 0.000 2.638 472 V HA 0.510 4.629 4.120 -0.001 0.000 0.306 472 V C -0.763 175.525 176.094 0.323 0.000 1.052 472 V CA -1.209 61.217 62.300 0.211 0.000 0.885 472 V CB 1.820 33.705 31.823 0.104 0.000 0.999 472 V HN 0.280 nan 8.190 nan 0.000 0.424 473 L N 5.739 127.185 121.223 0.371 0.000 2.255 473 L HA 0.613 4.952 4.340 -0.001 0.000 0.289 473 L C 0.092 177.049 176.870 0.145 0.000 1.046 473 L CA 0.038 55.027 54.840 0.247 0.000 0.816 473 L CB 0.692 42.878 42.059 0.211 0.000 1.197 473 L HN 1.086 nan 8.230 nan 0.000 0.427 474 C N 5.794 125.073 119.300 -0.034 0.000 2.576 474 C HA 0.267 4.726 4.460 -0.001 0.000 0.401 474 C C 1.464 176.264 174.990 -0.316 0.000 1.314 474 C CA -0.513 58.210 59.018 -0.492 0.000 1.855 474 C CB -0.326 27.182 27.740 -0.387 0.000 2.537 474 C HN 0.880 nan 8.230 nan 0.000 0.578 475 K N 2.827 123.002 120.400 -0.374 0.000 2.353 475 K HA 0.125 4.444 4.320 -0.001 0.000 0.195 475 K C 0.116 176.606 176.600 -0.183 0.000 1.031 475 K CA 0.193 56.349 56.287 -0.218 0.000 1.079 475 K CB 0.047 32.436 32.500 -0.185 0.000 0.857 475 K HN 0.765 nan 8.250 nan 0.000 0.535 476 D N 2.417 122.682 120.400 -0.225 0.000 2.399 476 D HA 0.060 4.700 4.640 -0.001 0.000 0.241 476 D C -2.328 173.910 176.300 -0.103 0.000 1.133 476 D CA -0.918 52.991 54.000 -0.152 0.000 0.890 476 D CB 0.405 41.110 40.800 -0.158 0.000 1.201 476 D HN -0.049 nan 8.370 nan 0.000 0.432 477 P HA 0.057 nan 4.420 nan 0.000 0.272 477 P C -0.673 176.604 177.300 -0.038 0.000 1.230 477 P CA -0.525 62.546 63.100 -0.048 0.000 0.788 477 P CB 0.486 32.165 31.700 -0.036 0.000 0.949 478 V N 3.371 123.273 119.914 -0.019 0.000 2.540 478 V HA -0.036 4.083 4.120 -0.001 0.000 0.297 478 V C 0.852 176.948 176.094 0.003 0.000 1.024 478 V CA 0.202 62.502 62.300 0.000 0.000 1.105 478 V CB -0.307 31.529 31.823 0.023 0.000 0.938 478 V HN 0.464 nan 8.190 nan 0.000 0.482 479 Q N 3.752 123.553 119.800 0.000 0.000 2.373 479 Q HA 0.243 4.582 4.340 -0.001 0.000 0.255 479 Q C 1.516 177.532 176.000 0.026 0.000 0.980 479 Q CA 0.578 56.381 55.803 0.000 0.000 0.882 479 Q CB 0.530 29.256 28.738 -0.019 0.000 1.249 479 Q HN 0.904 nan 8.270 nan 0.000 0.438 480 E N 2.013 122.226 120.200 0.022 0.000 2.049 480 E HA -0.057 4.292 4.350 -0.001 0.000 0.198 480 E C 0.641 177.276 176.600 0.058 0.000 1.007 480 E CA 1.534 57.954 56.400 0.033 0.000 0.809 480 E CB -0.198 29.514 29.700 0.021 0.000 0.749 480 E HN 0.758 nan 8.360 nan 0.000 0.450 481 A N -1.442 121.411 122.820 0.055 0.000 2.331 481 A HA 0.468 4.787 4.320 -0.001 0.000 0.283 481 A C 0.511 178.167 177.584 0.119 0.000 1.142 481 A CA 0.030 52.118 52.037 0.084 0.000 0.812 481 A CB 0.190 19.222 19.000 0.053 0.000 1.074 481 A HN 0.608 nan 8.150 nan 0.000 0.497 482 W N 3.098 124.389 121.300 -0.014 0.000 2.381 482 W HA -0.083 4.575 4.660 -0.002 0.000 0.301 482 W C 2.008 178.522 176.519 -0.008 0.000 1.205 482 W CA 2.254 59.589 57.345 -0.018 0.000 1.285 482 W CB -0.132 29.310 29.460 -0.030 0.000 1.133 482 W HN 0.759 nan 8.180 nan 0.000 0.521 483 A N 0.523 123.319 122.820 -0.041 0.000 1.884 483 A HA -0.309 4.010 4.320 -0.001 0.000 0.219 483 A C 1.814 179.257 177.584 -0.236 0.000 1.197 483 A CA 2.308 54.231 52.037 -0.190 0.000 0.637 483 A CB -0.986 17.999 19.000 -0.025 0.000 0.827 483 A HN 0.500 nan 8.150 nan 0.000 0.450 484 E N -1.037 119.084 120.200 -0.132 0.000 2.152 484 E HA -0.170 4.180 4.350 -0.001 0.000 0.192 484 E C 1.673 178.188 176.600 -0.141 0.000 0.983 484 E CA 0.941 57.277 56.400 -0.108 0.000 0.818 484 E CB -0.179 29.490 29.700 -0.052 0.000 0.758 484 E HN 0.711 nan 8.360 nan 0.000 0.467 485 D N 0.132 120.423 120.400 -0.181 0.000 2.144 485 D HA -0.132 4.507 4.640 -0.001 0.000 0.199 485 D C 1.821 177.975 176.300 -0.243 0.000 0.984 485 D CA 0.751 54.645 54.000 -0.176 0.000 0.834 485 D CB 0.251 40.972 40.800 -0.132 0.000 0.955 485 D HN -0.056 nan 8.370 nan 0.000 0.465 486 V N 0.561 120.218 119.914 -0.429 0.000 2.323 486 V HA -0.166 3.953 4.120 -0.001 0.000 0.244 486 V C 1.824 177.791 176.094 -0.212 0.000 1.041 486 V CA 1.776 63.835 62.300 -0.402 0.000 1.025 486 V CB -0.528 30.887 31.823 -0.681 0.000 0.656 486 V HN 0.168 nan 8.190 nan 0.000 0.451 487 D N 0.115 120.402 120.400 -0.190 0.000 2.149 487 D HA -0.182 4.457 4.640 -0.001 0.000 0.198 487 D C 2.025 178.295 176.300 -0.049 0.000 0.990 487 D CA 1.253 55.193 54.000 -0.100 0.000 0.839 487 D CB -0.317 40.430 40.800 -0.087 0.000 0.948 487 D HN 0.401 nan 8.370 nan 0.000 0.460 488 L N 0.433 121.622 121.223 -0.056 0.000 2.012 488 L HA -0.182 4.157 4.340 -0.001 0.000 0.210 488 L C 2.292 179.187 176.870 0.040 0.000 1.073 488 L CA 1.478 56.309 54.840 -0.015 0.000 0.748 488 L CB 0.037 42.069 42.059 -0.044 0.000 0.891 488 L HN -0.105 nan 8.230 nan 0.000 0.431 489 R N -1.132 119.381 120.500 0.023 0.000 2.115 489 R HA -0.076 4.263 4.340 -0.001 0.000 0.226 489 R C 2.104 178.493 176.300 0.148 0.000 1.100 489 R CA 1.175 57.343 56.100 0.113 0.000 0.980 489 R CB -0.262 30.072 30.300 0.056 0.000 0.875 489 R HN 0.291 nan 8.270 nan 0.000 0.445 490 V N 1.722 121.671 119.914 0.059 0.000 2.358 490 V HA -0.234 3.885 4.120 -0.001 0.000 0.246 490 V C 1.669 177.805 176.094 0.069 0.000 1.047 490 V CA 1.659 63.986 62.300 0.045 0.000 1.035 490 V CB -0.436 31.383 31.823 -0.006 0.000 0.658 490 V HN 0.344 nan 8.190 nan 0.000 0.452 491 N N -0.187 118.559 118.700 0.077 0.000 2.188 491 N HA -0.148 4.591 4.740 -0.001 0.000 0.184 491 N C 1.691 177.287 175.510 0.144 0.000 1.018 491 N CA 1.331 54.434 53.050 0.088 0.000 0.858 491 N CB -0.492 38.036 38.487 0.068 0.000 0.989 491 N HN 0.494 nan 8.380 nan 0.000 0.426 492 F N 1.994 121.957 119.950 0.022 0.000 2.126 492 F HA -0.133 4.393 4.527 -0.002 0.000 0.299 492 F C 2.165 177.999 175.800 0.057 0.000 1.096 492 F CA 1.231 59.249 58.000 0.030 0.000 1.255 492 F CB -0.494 38.518 39.000 0.020 0.000 0.997 492 F HN 0.034 nan 8.300 nan 0.000 0.479 493 A N 0.300 123.098 122.820 -0.037 0.000 1.898 493 A HA -0.146 4.173 4.320 -0.001 0.000 0.216 493 A C 2.204 179.826 177.584 0.063 0.000 1.181 493 A CA 1.694 53.688 52.037 -0.072 0.000 0.620 493 A CB -0.616 18.415 19.000 0.052 0.000 0.819 493 A HN 0.374 nan 8.150 nan 0.000 0.442 494 M N 0.427 120.099 119.600 0.120 0.000 2.086 494 M HA -0.129 4.350 4.480 -0.001 0.000 0.261 494 M C 1.623 178.021 176.300 0.164 0.000 1.067 494 M CA 1.351 56.792 55.300 0.235 0.000 1.116 494 M CB -1.698 30.977 32.600 0.126 0.000 1.348 494 M HN 0.398 nan 8.290 nan 0.000 0.407 495 N N 0.396 119.115 118.700 0.031 0.000 2.142 495 N HA -0.081 4.658 4.740 -0.001 0.000 0.186 495 N C 1.954 177.375 175.510 -0.149 0.000 1.023 495 N CA 0.996 54.029 53.050 -0.029 0.000 0.852 495 N CB -0.677 37.817 38.487 0.012 0.000 0.998 495 N HN 0.153 nan 8.380 nan 0.000 0.424 496 V N 0.942 120.695 119.914 -0.267 0.000 2.287 496 V HA -0.191 3.928 4.120 -0.001 0.000 0.248 496 V C 2.392 178.224 176.094 -0.437 0.000 1.053 496 V CA 2.170 64.254 62.300 -0.359 0.000 1.027 496 V CB -1.224 30.330 31.823 -0.449 0.000 0.646 496 V HN 0.377 nan 8.190 nan 0.000 0.447 497 G N -0.829 107.709 108.800 -0.436 0.000 2.402 497 G HA2 -0.218 3.741 3.960 -0.001 0.000 0.216 497 G HA3 -0.218 3.741 3.960 -0.001 0.000 0.216 497 G C 1.682 175.974 174.900 -1.015 0.000 1.162 497 G CA 0.724 45.215 45.100 -1.014 0.000 0.777 497 G HN 0.458 nan 8.290 nan 0.000 0.539 498 K N 0.421 120.501 120.400 -0.533 0.000 2.057 498 K HA 0.070 4.389 4.320 -0.001 0.000 0.206 498 K C 2.941 179.383 176.600 -0.263 0.000 1.050 498 K CA 0.971 57.098 56.287 -0.266 0.000 0.935 498 K CB -0.184 32.291 32.500 -0.042 0.000 0.715 498 K HN 0.260 nan 8.250 nan 0.000 0.439 499 A N 1.276 123.935 122.820 -0.268 0.000 1.930 499 A HA -0.103 4.216 4.320 -0.001 0.000 0.217 499 A C 1.919 179.311 177.584 -0.320 0.000 1.175 499 A CA 1.111 53.010 52.037 -0.231 0.000 0.627 499 A CB -0.163 18.728 19.000 -0.182 0.000 0.815 499 A HN 0.103 nan 8.150 nan 0.000 0.443 500 R N -1.277 118.902 120.500 -0.535 0.000 2.299 500 R HA 0.077 4.416 4.340 -0.001 0.000 0.197 500 R C 1.273 177.195 176.300 -0.631 0.000 0.971 500 R CA 0.779 56.448 56.100 -0.719 0.000 1.030 500 R CB -0.388 29.125 30.300 -1.313 0.000 0.932 500 R HN 0.801 nan 8.270 nan 0.000 0.477 501 G N 0.703 109.222 108.800 -0.468 0.000 2.143 501 G HA2 -0.260 3.699 3.960 -0.001 0.000 0.248 501 G HA3 -0.260 3.699 3.960 -0.001 0.000 0.248 501 G C 0.536 175.380 174.900 -0.093 0.000 0.991 501 G CA 0.113 45.078 45.100 -0.225 0.000 0.689 501 G HN 0.242 nan 8.290 nan 0.000 0.522 502 F N -0.113 119.634 119.950 -0.338 0.000 2.234 502 F HA 0.336 4.862 4.527 -0.001 0.000 0.299 502 F C 1.443 177.153 175.800 -0.151 0.000 1.087 502 F CA 0.881 58.705 58.000 -0.294 0.000 1.340 502 F CB -0.592 38.159 39.000 -0.415 0.000 1.031 502 F HN 0.454 nan 8.300 nan 0.000 0.500 503 F N -1.534 118.509 119.950 0.155 0.000 2.817 503 F HA 0.564 5.091 4.527 -0.001 0.000 0.317 503 F C -0.882 174.939 175.800 0.034 0.000 1.168 503 F CA -2.465 55.581 58.000 0.077 0.000 0.911 503 F CB 1.016 40.055 39.000 0.065 0.000 1.337 503 F HN -0.204 nan 8.300 nan 0.000 0.464 504 K N 0.280 120.901 120.400 0.368 0.000 2.433 504 K HA 0.503 4.822 4.320 -0.001 0.000 0.252 504 K C -1.189 175.514 176.600 0.172 0.000 1.015 504 K CA -1.256 55.161 56.287 0.217 0.000 0.860 504 K CB 2.379 34.945 32.500 0.110 0.000 1.359 504 K HN 0.792 nan 8.250 nan 0.000 0.452 505 K N -0.020 120.447 120.400 0.112 0.000 2.550 505 K HA -0.040 4.279 4.320 -0.001 0.000 0.280 505 K C 0.669 177.290 176.600 0.036 0.000 0.987 505 K CA 2.017 58.341 56.287 0.062 0.000 1.048 505 K CB -0.303 32.223 32.500 0.044 0.000 0.879 505 K HN 0.885 nan 8.250 nan 0.000 0.491 506 G N 3.064 111.869 108.800 0.009 0.000 2.268 506 G HA2 -0.226 3.733 3.960 -0.001 0.000 0.240 506 G HA3 -0.226 3.733 3.960 -0.001 0.000 0.240 506 G C -0.279 174.610 174.900 -0.019 0.000 1.010 506 G CA 0.233 45.330 45.100 -0.004 0.000 0.618 506 G HN 0.726 nan 8.290 nan 0.000 0.516 507 D N 0.306 120.695 120.400 -0.018 0.000 2.382 507 D HA 0.409 5.049 4.640 -0.001 0.000 0.240 507 D C 0.511 176.743 176.300 -0.113 0.000 1.146 507 D CA -0.027 53.947 54.000 -0.043 0.000 0.897 507 D CB 1.851 42.648 40.800 -0.005 0.000 1.197 507 D HN 0.277 nan 8.370 nan 0.000 0.432 508 V N 2.178 122.030 119.914 -0.103 0.000 2.498 508 V HA 0.391 4.510 4.120 -0.001 0.000 0.279 508 V C -0.164 175.819 176.094 -0.185 0.000 1.048 508 V CA -0.225 62.000 62.300 -0.125 0.000 0.967 508 V CB 1.212 32.987 31.823 -0.081 0.000 0.988 508 V HN 0.379 nan 8.190 nan 0.000 0.473 509 V N 5.890 125.672 119.914 -0.221 0.000 3.040 509 V HA 0.693 4.812 4.120 -0.001 0.000 0.312 509 V C -0.741 175.259 176.094 -0.156 0.000 1.115 509 V CA -1.074 61.080 62.300 -0.244 0.000 0.998 509 V CB 2.150 33.722 31.823 -0.418 0.000 1.042 509 V HN 0.602 nan 8.190 nan 0.000 0.433 510 I N 2.339 122.832 120.570 -0.128 0.000 2.392 510 I HA 0.618 4.787 4.170 -0.001 0.000 0.295 510 I C -0.125 175.949 176.117 -0.071 0.000 0.985 510 I CA -0.853 60.393 61.300 -0.090 0.000 1.221 510 I CB 1.386 39.334 38.000 -0.087 0.000 1.366 510 I HN 0.498 nan 8.210 nan 0.000 0.467 511 V N 6.854 126.738 119.914 -0.050 0.000 2.444 511 V HA 0.451 4.570 4.120 -0.001 0.000 0.294 511 V C -0.073 176.016 176.094 -0.009 0.000 1.022 511 V CA -0.614 61.668 62.300 -0.031 0.000 0.850 511 V CB 2.247 34.049 31.823 -0.035 0.000 0.992 511 V HN 0.415 nan 8.190 nan 0.000 0.426 512 L N 5.552 126.777 121.223 0.004 0.000 2.287 512 L HA 0.752 5.091 4.340 -0.001 0.000 0.287 512 L C 0.280 177.174 176.870 0.039 0.000 1.022 512 L CA -0.141 54.713 54.840 0.024 0.000 0.814 512 L CB 1.859 43.931 42.059 0.022 0.000 1.217 512 L HN 0.826 nan 8.230 nan 0.000 0.420 513 T N -0.599 113.994 114.554 0.065 0.000 2.864 513 T HA 0.760 5.109 4.350 -0.001 0.000 0.289 513 T C 0.017 174.821 174.700 0.173 0.000 1.082 513 T CA -0.645 61.512 62.100 0.096 0.000 1.009 513 T CB 2.155 71.056 68.868 0.055 0.000 1.234 513 T HN 0.541 nan 8.240 nan 0.000 0.526 514 G N -0.742 108.209 108.800 0.253 0.000 2.613 514 G HA2 0.495 4.454 3.960 -0.001 0.000 0.303 514 G HA3 0.495 4.454 3.960 -0.001 0.000 0.303 514 G C 0.416 175.587 174.900 0.452 0.000 1.312 514 G CA -0.785 44.506 45.100 0.317 0.000 1.036 514 G HN 0.968 nan 8.290 nan 0.000 0.513 515 W N -0.300 121.147 121.300 0.245 0.000 3.197 515 W HA 0.305 4.965 4.660 -0.000 0.000 0.274 515 W C 0.234 176.693 176.519 -0.100 0.000 1.297 515 W CA -0.267 57.176 57.345 0.164 0.000 1.662 515 W CB -0.367 29.127 29.460 0.057 0.000 1.106 515 W HN 0.607 nan 8.180 nan 0.000 0.663 516 R N -0.470 119.506 120.500 -0.873 0.000 2.728 516 R HA 0.533 4.872 4.340 -0.001 0.000 0.274 516 R C -3.212 172.357 176.300 -1.220 0.000 1.030 516 R CA -1.618 53.560 56.100 -1.536 0.000 0.876 516 R CB 0.350 29.708 30.300 -1.570 0.000 1.259 516 R HN -0.397 nan 8.270 nan 0.000 0.468 517 P HA 0.373 nan 4.420 nan 0.000 0.275 517 P C -0.170 177.002 177.300 -0.213 0.000 1.266 517 P CA 0.568 63.362 63.100 -0.509 0.000 0.793 517 P CB 0.533 31.930 31.700 -0.505 0.000 1.074 518 G N -0.494 108.301 108.800 -0.008 0.000 2.712 518 G HA2 -0.063 3.896 3.960 -0.001 0.000 0.686 518 G HA3 -0.063 3.896 3.960 -0.001 0.000 0.686 518 G C -0.458 174.509 174.900 0.112 0.000 1.321 518 G CA -0.618 44.528 45.100 0.077 0.000 0.813 518 G HN 0.538 nan 8.290 nan 0.000 0.599 519 S N 0.013 115.704 115.700 -0.016 0.000 2.585 519 S HA 0.589 5.058 4.470 -0.001 0.000 0.273 519 S C 1.568 175.905 174.600 -0.439 0.000 1.339 519 S CA 1.354 59.474 58.200 -0.133 0.000 1.028 519 S CB 1.301 64.431 63.200 -0.117 0.000 0.906 519 S HN 2.610 nan 8.310 nan 0.000 0.528 520 G N 0.486 109.036 108.800 -0.416 0.000 2.176 520 G HA2 -0.214 3.745 3.960 -0.001 0.000 0.232 520 G HA3 -0.214 3.745 3.960 -0.001 0.000 0.232 520 G C 0.146 174.676 174.900 -0.617 0.000 0.986 520 G CA -0.203 44.554 45.100 -0.572 0.000 0.643 520 G HN 0.597 nan 8.290 nan 0.000 0.522 521 F N 2.186 122.106 119.950 -0.049 0.000 2.668 521 F HA 0.361 4.887 4.527 -0.002 0.000 0.301 521 F C 1.263 177.107 175.800 0.073 0.000 1.106 521 F CA -0.070 57.906 58.000 -0.040 0.000 1.289 521 F CB 0.399 39.122 39.000 -0.461 0.000 1.006 521 F HN -0.031 nan 8.300 nan 0.000 0.535 522 T N 3.002 117.652 114.554 0.160 0.000 2.817 522 T HA 0.029 4.378 4.350 -0.001 0.000 0.295 522 T C 1.112 175.931 174.700 0.199 0.000 0.958 522 T CA 0.266 62.463 62.100 0.162 0.000 1.157 522 T CB 0.081 68.998 68.868 0.083 0.000 0.898 522 T HN 0.483 nan 8.240 nan 0.000 0.536 523 N N 0.918 119.760 118.700 0.236 0.000 1.986 523 N HA -0.008 4.731 4.740 -0.001 0.000 0.227 523 N C -0.742 174.861 175.510 0.156 0.000 1.387 523 N CA -0.417 52.761 53.050 0.212 0.000 0.810 523 N CB 0.881 39.550 38.487 0.303 0.000 1.140 523 N HN 0.382 nan 8.380 nan 0.000 0.504 524 T N 1.985 116.627 114.554 0.146 0.000 2.847 524 T HA 0.397 4.746 4.350 -0.001 0.000 0.291 524 T C -0.767 173.974 174.700 0.069 0.000 0.998 524 T CA -0.491 61.674 62.100 0.109 0.000 0.967 524 T CB 1.773 70.721 68.868 0.132 0.000 0.954 524 T HN 0.138 nan 8.240 nan 0.000 0.441 525 M N 4.301 123.927 119.600 0.044 0.000 2.227 525 M HA 0.548 5.027 4.480 -0.001 0.000 0.335 525 M C -1.178 175.127 176.300 0.008 0.000 1.053 525 M CA -0.503 54.808 55.300 0.019 0.000 0.973 525 M CB 1.075 33.681 32.600 0.010 0.000 1.623 525 M HN 0.549 nan 8.290 nan 0.000 0.434 526 R N 2.932 123.429 120.500 -0.006 0.000 2.686 526 R HA 0.677 5.016 4.340 -0.001 0.000 0.286 526 R C -1.378 174.902 176.300 -0.034 0.000 0.969 526 R CA -0.927 55.164 56.100 -0.015 0.000 0.898 526 R CB 2.617 32.910 30.300 -0.013 0.000 1.183 526 R HN 0.520 nan 8.270 nan 0.000 0.456 527 V N 3.568 123.460 119.914 -0.036 0.000 2.328 527 V HA 0.373 4.492 4.120 -0.001 0.000 0.278 527 V C -0.043 176.019 176.094 -0.054 0.000 1.021 527 V CA -0.626 61.644 62.300 -0.051 0.000 0.838 527 V CB 1.143 32.941 31.823 -0.043 0.000 0.999 527 V HN 0.588 nan 8.190 nan 0.000 0.447 528 V N 3.938 123.807 119.914 -0.075 0.000 2.876 528 V HA 0.820 4.939 4.120 -0.001 0.000 0.312 528 V C -2.765 173.268 176.094 -0.101 0.000 1.085 528 V CA -2.539 59.716 62.300 -0.076 0.000 0.945 528 V CB 2.582 34.362 31.823 -0.072 0.000 1.017 528 V HN 0.606 nan 8.190 nan 0.000 0.428 529 P HA 0.304 nan 4.420 nan 0.000 0.278 529 P C -0.294 176.942 177.300 -0.106 0.000 1.238 529 P CA -0.194 62.854 63.100 -0.088 0.000 0.794 529 P CB 1.445 33.114 31.700 -0.052 0.000 0.955 530 V N 5.085 124.920 119.914 -0.132 0.000 2.521 530 V HA 0.110 4.229 4.120 -0.001 0.000 0.286 530 V C -1.217 174.861 176.094 -0.027 0.000 1.034 530 V CA -0.872 61.359 62.300 -0.115 0.000 1.045 530 V CB 0.021 31.769 31.823 -0.124 0.000 0.974 530 V HN 0.655 nan 8.190 nan 0.000 0.480 531 P HA 0.000 nan 4.420 nan 0.000 0.216 531 P CA 0.000 63.104 63.100 0.007 0.000 0.800 531 P CB 0.000 31.704 31.700 0.007 0.000 0.726