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 2y4m_1_B DATA FIRST_RESID 2 DATA SEQUENCE SLVVFPFKHE HPEVLLHNVR VAAAHPRVHE VLCIGYERDQ TYEAVERAAP DATA SEQUENCE EISRATGTPV SVRLQERLGT LRPGKGDGMN TALRYFLEET QWERIHFYDA DATA SEQUENCE DITSFGPDWI TKAEEAADFG YGLVRHYFPR ASTDAMITWM ITRTGFALLW DATA SEQUENCE PHTELSWIEQ PLGGELLMRR EVAAMLYEDE RVRRRSDWGI DTLYTFVTVA DATA SEQUENCE AGVSIYECYI PEGKAHRLYG GLDDLRTMLV ECFAAIQSLQ HEVVGQPAIH DATA SEQUENCE RQEHPHRVPV HIAERVGYDV EATLHRLMQH WTPRQVELLE LFTTPVREGL DATA SEQUENCE RTCQRRPAFN FMDEMAWAAT YHVLLEHFQP GDPDWEELLF KLWTTRVLNY DATA SEQUENCE TMTVALRGYD YAQQYLYRML GRYRYQAALE VARS RESID RESNAME ATOMNAME SS_SHIFT SHIFT RC_SHIFT HM_SHIFT EF_SHIFT SIGMA FORMAT %4d %4s %4s %9.3f %9.3f %9.3f %9.3f %9.3f %9.3f 2 S HA 0.000 nan 4.470 nan 0.000 0.327 2 S C 0.000 174.448 174.600 -0.253 0.000 1.055 2 S CA 0.000 58.134 58.200 -0.111 0.000 1.107 2 S CB 0.000 63.156 63.200 -0.073 0.000 0.593 3 L N 3.292 124.510 121.223 -0.008 0.000 2.276 3 L HA 0.718 5.058 4.340 -0.000 0.000 0.286 3 L C -1.008 175.765 176.870 -0.161 0.000 1.061 3 L CA -0.023 54.809 54.840 -0.014 0.000 0.807 3 L CB 0.980 43.224 42.059 0.309 0.000 1.177 3 L HN 0.450 nan 8.230 nan 0.000 0.429 4 V N 6.283 126.074 119.914 -0.205 0.000 2.370 4 V HA 0.465 4.584 4.120 -0.000 0.000 0.283 4 V C -0.245 175.657 176.094 -0.321 0.000 1.023 4 V CA -0.634 61.496 62.300 -0.283 0.000 0.857 4 V CB 1.653 33.319 31.823 -0.261 0.000 0.985 4 V HN 0.543 nan 8.190 nan 0.000 0.443 5 V N 5.494 125.108 119.914 -0.499 0.000 2.483 5 V HA 0.550 4.670 4.120 -0.000 0.000 0.295 5 V C -0.728 175.122 176.094 -0.407 0.000 1.035 5 V CA -0.522 61.540 62.300 -0.398 0.000 0.896 5 V CB 1.632 33.090 31.823 -0.608 0.000 0.986 5 V HN 0.683 nan 8.190 nan 0.000 0.447 6 F N 5.025 125.006 119.950 0.053 0.000 2.434 6 F HA 0.515 5.042 4.527 -0.000 0.000 0.355 6 F C -2.465 173.483 175.800 0.246 0.000 1.115 6 F CA -2.445 55.624 58.000 0.116 0.000 1.010 6 F CB 1.959 40.963 39.000 0.007 0.000 1.234 6 F HN 0.307 nan 8.300 nan 0.000 0.439 7 P HA 0.314 nan 4.420 nan 0.000 0.286 7 P C -1.085 176.435 177.300 0.367 0.000 1.269 7 P CA -0.265 63.033 63.100 0.331 0.000 0.787 7 P CB 0.558 32.403 31.700 0.242 0.000 0.920 8 F N 0.954 120.956 119.950 0.087 0.000 2.601 8 F HA 0.680 5.207 4.527 -0.000 0.000 0.309 8 F C 0.220 176.023 175.800 0.004 0.000 1.089 8 F CA -1.057 56.971 58.000 0.046 0.000 0.940 8 F CB 1.636 40.654 39.000 0.030 0.000 1.273 8 F HN 0.132 nan 8.300 nan 0.000 0.450 9 K N -0.139 120.249 120.400 -0.020 0.000 2.758 9 K HA 0.307 4.627 4.320 -0.000 0.000 0.247 9 K C -0.570 175.858 176.600 -0.286 0.000 1.155 9 K CA -0.238 55.891 56.287 -0.263 0.000 1.011 9 K CB 0.313 32.593 32.500 -0.366 0.000 1.633 9 K HN 0.763 nan 8.250 nan 0.000 0.438 10 H N 1.711 120.852 119.070 0.118 0.000 2.762 10 H HA 0.337 4.892 4.556 -0.000 0.000 0.310 10 H C -0.903 174.471 175.328 0.077 0.000 1.004 10 H CA -0.445 55.666 56.048 0.105 0.000 1.267 10 H CB 1.413 31.201 29.762 0.044 0.000 1.437 10 H HN 0.292 nan 8.280 nan 0.000 0.498 11 E N 1.877 122.175 120.200 0.164 0.000 2.317 11 E HA 0.205 4.555 4.350 -0.000 0.000 0.270 11 E C -0.115 176.491 176.600 0.011 0.000 0.885 11 E CA -0.896 55.562 56.400 0.096 0.000 0.760 11 E CB 1.982 31.749 29.700 0.112 0.000 1.227 11 E HN 0.535 nan 8.360 nan 0.000 0.434 12 H N 2.400 121.502 119.070 0.053 0.000 3.046 12 H HA 0.015 4.571 4.556 -0.000 0.000 0.303 12 H C -1.512 173.805 175.328 -0.018 0.000 1.002 12 H CA -0.847 55.215 56.048 0.023 0.000 1.460 12 H CB 0.400 30.172 29.762 0.017 0.000 1.493 12 H HN 0.168 nan 8.280 nan 0.000 0.559 13 P HA -0.110 nan 4.420 nan 0.000 0.219 13 P C 1.018 178.294 177.300 -0.040 0.000 1.150 13 P CA 0.923 64.003 63.100 -0.033 0.000 0.814 13 P CB 0.367 32.047 31.700 -0.034 0.000 0.787 14 E N -0.511 119.693 120.200 0.006 0.000 2.219 14 E HA -0.134 4.216 4.350 -0.000 0.000 0.198 14 E C 1.820 178.419 176.600 -0.000 0.000 0.998 14 E CA 1.052 57.450 56.400 -0.003 0.000 0.818 14 E CB -1.041 28.666 29.700 0.011 0.000 0.741 14 E HN 0.138 nan 8.360 nan 0.000 0.477 15 V N 0.266 120.178 119.914 -0.005 0.000 2.374 15 V HA -0.109 4.011 4.120 -0.000 0.000 0.241 15 V C 2.031 178.053 176.094 -0.120 0.000 1.034 15 V CA 1.037 63.318 62.300 -0.031 0.000 1.037 15 V CB -0.483 31.339 31.823 -0.001 0.000 0.682 15 V HN 0.206 nan 8.190 nan 0.000 0.463 16 L N 0.223 121.346 121.223 -0.167 0.000 2.012 16 L HA -0.137 4.203 4.340 -0.000 0.000 0.210 16 L C 2.201 178.833 176.870 -0.397 0.000 1.073 16 L CA 1.922 56.562 54.840 -0.333 0.000 0.748 16 L CB -0.723 41.121 42.059 -0.357 0.000 0.891 16 L HN 0.203 nan 8.230 nan 0.000 0.431 17 L N -0.977 120.091 121.223 -0.259 0.000 2.012 17 L HA -0.262 4.078 4.340 -0.000 0.000 0.210 17 L C 2.732 179.517 176.870 -0.142 0.000 1.073 17 L CA 1.496 56.207 54.840 -0.214 0.000 0.748 17 L CB -1.131 40.840 42.059 -0.147 0.000 0.891 17 L HN 0.485 nan 8.230 nan 0.000 0.431 18 H N 1.183 120.134 119.070 -0.198 0.000 2.289 18 H HA -0.213 4.343 4.556 -0.000 0.000 0.294 18 H C 2.055 177.275 175.328 -0.179 0.000 1.095 18 H CA 2.240 58.197 56.048 -0.152 0.000 1.256 18 H CB -0.222 29.470 29.762 -0.117 0.000 1.359 18 H HN 0.302 nan 8.280 nan 0.000 0.487 19 N N 0.282 118.913 118.700 -0.114 0.000 2.104 19 N HA -0.145 4.595 4.740 -0.000 0.000 0.190 19 N C 2.277 177.597 175.510 -0.316 0.000 1.024 19 N CA 1.415 54.273 53.050 -0.320 0.000 0.853 19 N CB -0.823 37.148 38.487 -0.860 0.000 1.008 19 N HN 0.349 nan 8.380 nan 0.000 0.424 20 V N 1.110 120.715 119.914 -0.515 0.000 2.548 20 V HA -0.116 4.003 4.120 -0.000 0.000 0.249 20 V C 2.259 178.319 176.094 -0.056 0.000 1.055 20 V CA 1.318 63.437 62.300 -0.302 0.000 1.065 20 V CB -0.175 31.433 31.823 -0.359 0.000 0.681 20 V HN 0.140 nan 8.190 nan 0.000 0.462 21 R N -0.374 120.091 120.500 -0.059 0.000 2.080 21 R HA -0.141 4.199 4.340 -0.000 0.000 0.236 21 R C 2.256 178.584 176.300 0.047 0.000 1.137 21 R CA 2.181 58.270 56.100 -0.017 0.000 0.943 21 R CB -0.715 29.547 30.300 -0.062 0.000 0.846 21 R HN 0.511 nan 8.270 nan 0.000 0.431 22 V N 0.688 120.676 119.914 0.122 0.000 2.287 22 V HA -0.278 3.842 4.120 -0.000 0.000 0.248 22 V C 2.347 178.546 176.094 0.176 0.000 1.053 22 V CA 2.061 64.455 62.300 0.156 0.000 1.027 22 V CB -0.773 31.190 31.823 0.232 0.000 0.646 22 V HN 0.492 nan 8.190 nan 0.000 0.447 23 A N -0.239 122.743 122.820 0.270 0.000 1.930 23 A HA -0.020 4.300 4.320 -0.000 0.000 0.217 23 A C 2.348 180.009 177.584 0.128 0.000 1.175 23 A CA 1.857 54.039 52.037 0.243 0.000 0.627 23 A CB -0.615 18.599 19.000 0.357 0.000 0.815 23 A HN 0.577 nan 8.150 nan 0.000 0.443 24 A N -0.488 122.391 122.820 0.099 0.000 2.014 24 A HA 0.338 4.658 4.320 -0.000 0.000 0.218 24 A C 2.318 179.924 177.584 0.037 0.000 1.163 24 A CA 1.494 53.561 52.037 0.051 0.000 0.652 24 A CB -0.626 18.393 19.000 0.032 0.000 0.808 24 A HN 0.923 nan 8.150 nan 0.000 0.449 25 A N -1.437 121.410 122.820 0.046 0.000 2.016 25 A HA -0.005 4.315 4.320 -0.000 0.000 0.217 25 A C 1.243 178.837 177.584 0.017 0.000 1.162 25 A CA 0.203 52.252 52.037 0.020 0.000 0.662 25 A CB -0.614 18.392 19.000 0.008 0.000 0.812 25 A HN 0.598 nan 8.150 nan 0.000 0.450 26 H N 0.624 119.673 119.070 -0.035 0.000 3.004 26 H HA 0.073 4.629 4.556 -0.000 0.000 0.316 26 H C -1.618 173.670 175.328 -0.067 0.000 1.014 26 H CA -1.173 54.845 56.048 -0.050 0.000 1.454 26 H CB 1.025 30.752 29.762 -0.059 0.000 1.472 26 H HN 0.044 nan 8.280 nan 0.000 0.571 27 P HA -0.146 nan 4.420 nan 0.000 0.218 27 P C 0.804 178.091 177.300 -0.021 0.000 1.146 27 P CA 1.537 64.562 63.100 -0.126 0.000 0.820 27 P CB 0.181 31.762 31.700 -0.198 0.000 0.778 28 R N -1.451 119.150 120.500 0.169 0.000 2.393 28 R HA 0.200 4.540 4.340 -0.000 0.000 0.244 28 R C -0.295 175.846 176.300 -0.265 0.000 0.920 28 R CA -0.075 56.031 56.100 0.011 0.000 1.076 28 R CB 0.539 30.924 30.300 0.142 0.000 1.119 28 R HN 0.053 nan 8.270 nan 0.000 0.524 29 V N 0.945 120.723 119.914 -0.227 0.000 2.350 29 V HA 0.127 4.247 4.120 -0.000 0.000 0.276 29 V C 0.486 176.336 176.094 -0.406 0.000 1.028 29 V CA -0.453 61.638 62.300 -0.349 0.000 0.860 29 V CB 1.334 33.049 31.823 -0.180 0.000 0.990 29 V HN 0.304 nan 8.190 nan 0.000 0.453 30 H N 2.268 121.065 119.070 -0.455 0.000 2.431 30 H HA 0.277 4.832 4.556 -0.000 0.000 0.295 30 H C 0.755 175.797 175.328 -0.477 0.000 1.038 30 H CA 0.579 56.211 56.048 -0.693 0.000 1.360 30 H CB 0.830 29.561 29.762 -1.718 0.000 1.433 30 H HN 0.616 nan 8.280 nan 0.000 0.536 31 E N 0.592 120.620 120.200 -0.287 0.000 2.343 31 E HA 0.354 4.704 4.350 -0.000 0.000 0.278 31 E C -1.743 174.854 176.600 -0.004 0.000 0.910 31 E CA -0.613 55.774 56.400 -0.020 0.000 0.757 31 E CB 2.505 32.345 29.700 0.232 0.000 1.218 31 E HN -0.126 nan 8.360 nan 0.000 0.435 32 V N 4.125 124.069 119.914 0.049 0.000 2.409 32 V HA 0.402 4.522 4.120 -0.000 0.000 0.291 32 V C -0.654 175.479 176.094 0.066 0.000 1.020 32 V CA -0.781 61.556 62.300 0.062 0.000 0.848 32 V CB 1.285 33.172 31.823 0.108 0.000 0.990 32 V HN 0.523 nan 8.190 nan 0.000 0.430 33 L N 6.279 127.527 121.223 0.041 0.000 2.313 33 L HA 0.685 5.025 4.340 -0.000 0.000 0.283 33 L C -0.336 176.582 176.870 0.080 0.000 1.013 33 L CA 0.138 54.971 54.840 -0.013 0.000 0.816 33 L CB 1.163 43.150 42.059 -0.120 0.000 1.236 33 L HN 0.742 nan 8.230 nan 0.000 0.419 34 C N 5.362 124.714 119.300 0.087 0.000 2.330 34 C HA 0.602 5.062 4.460 -0.000 0.000 0.344 34 C C 0.133 175.305 174.990 0.304 0.000 1.273 34 C CA -0.756 58.408 59.018 0.243 0.000 1.879 34 C CB 0.416 28.206 27.740 0.083 0.000 2.376 34 C HN 0.744 nan 8.230 nan 0.000 0.534 35 I N 3.092 123.870 120.570 0.346 0.000 2.437 35 I HA 0.566 4.736 4.170 -0.000 0.000 0.279 35 I C 0.536 176.521 176.117 -0.219 0.000 1.028 35 I CA 0.413 61.784 61.300 0.118 0.000 1.142 35 I CB 0.468 38.534 38.000 0.109 0.000 1.266 35 I HN 0.798 nan 8.210 nan 0.000 0.461 36 G N 4.607 113.135 108.800 -0.453 0.000 2.451 36 G HA2 0.131 4.091 3.960 -0.000 0.000 0.303 36 G HA3 0.131 4.091 3.960 -0.000 0.000 0.303 36 G C -0.150 174.507 174.900 -0.405 0.000 1.166 36 G CA -0.260 44.132 45.100 -1.179 0.000 0.884 36 G HN 0.632 nan 8.290 nan 0.000 0.514 37 Y N 0.107 120.087 120.300 -0.533 0.000 2.314 37 Y HA 0.179 4.729 4.550 -0.000 0.000 0.294 37 Y C 1.077 176.869 175.900 -0.180 0.000 1.119 37 Y CA 1.352 59.272 58.100 -0.301 0.000 1.179 37 Y CB 0.371 38.636 38.460 -0.325 0.000 1.025 37 Y HN 0.675 nan 8.280 nan 0.000 0.541 38 E N -0.551 119.514 120.200 -0.224 0.000 2.437 38 E HA 0.212 4.562 4.350 -0.000 0.000 0.280 38 E C -1.175 175.328 176.600 -0.162 0.000 1.044 38 E CA -1.107 55.127 56.400 -0.278 0.000 0.826 38 E CB 0.752 30.236 29.700 -0.360 0.000 1.358 38 E HN 0.072 nan 8.360 nan 0.000 0.459 39 R N 1.958 122.256 120.500 -0.337 0.000 2.609 39 R HA 0.053 4.393 4.340 -0.000 0.000 0.271 39 R C -0.626 175.629 176.300 -0.075 0.000 1.403 39 R CA 0.258 56.108 56.100 -0.415 0.000 1.138 39 R CB -0.307 29.701 30.300 -0.487 0.000 1.142 39 R HN 0.525 nan 8.270 nan 0.000 0.559 40 D N 1.227 121.693 120.400 0.110 0.000 2.650 40 D HA 0.030 4.670 4.640 -0.000 0.000 0.255 40 D C 0.421 176.839 176.300 0.197 0.000 1.135 40 D CA -0.559 53.541 54.000 0.166 0.000 1.099 40 D CB 0.464 41.420 40.800 0.260 0.000 1.273 40 D HN 0.175 nan 8.370 nan 0.000 0.628 41 Q N -0.295 119.611 119.800 0.176 0.000 2.028 41 Q HA -0.195 4.145 4.340 -0.000 0.000 0.213 41 Q C 2.084 178.179 176.000 0.158 0.000 1.017 41 Q CA 2.795 58.683 55.803 0.142 0.000 0.875 41 Q CB -1.087 27.721 28.738 0.117 0.000 0.962 41 Q HN 0.628 nan 8.270 nan 0.000 0.413 42 T N 0.525 115.201 114.554 0.204 0.000 2.674 42 T HA -0.179 4.171 4.350 -0.000 0.000 0.265 42 T C 1.625 176.434 174.700 0.183 0.000 1.039 42 T CA 1.416 63.614 62.100 0.165 0.000 1.150 42 T CB -0.674 68.327 68.868 0.222 0.000 0.864 42 T HN 0.291 nan 8.240 nan 0.000 0.427 43 Y N 2.073 122.521 120.300 0.247 0.000 2.040 43 Y HA -0.273 4.277 4.550 -0.000 0.000 0.275 43 Y C 2.410 178.369 175.900 0.100 0.000 1.171 43 Y CA 1.838 60.093 58.100 0.258 0.000 1.123 43 Y CB -0.439 38.163 38.460 0.238 0.000 0.963 43 Y HN 0.329 nan 8.280 nan 0.000 0.493 44 E N -0.486 119.926 120.200 0.354 0.000 2.049 44 E HA -0.295 4.055 4.350 -0.000 0.000 0.198 44 E C 2.385 179.046 176.600 0.102 0.000 1.007 44 E CA 1.181 57.714 56.400 0.222 0.000 0.809 44 E CB -0.479 29.308 29.700 0.145 0.000 0.749 44 E HN 0.575 nan 8.360 nan 0.000 0.450 45 A N 0.847 123.701 122.820 0.056 0.000 1.917 45 A HA -0.205 4.115 4.320 -0.000 0.000 0.219 45 A C 2.516 180.065 177.584 -0.058 0.000 1.182 45 A CA 1.640 53.675 52.037 -0.004 0.000 0.633 45 A CB -0.810 18.181 19.000 -0.015 0.000 0.819 45 A HN 0.146 nan 8.150 nan 0.000 0.448 46 V N -0.340 119.501 119.914 -0.122 0.000 2.343 46 V HA -0.269 3.851 4.120 -0.000 0.000 0.247 46 V C 2.455 178.462 176.094 -0.144 0.000 1.051 46 V CA 2.281 64.455 62.300 -0.210 0.000 1.036 46 V CB -0.790 30.788 31.823 -0.409 0.000 0.654 46 V HN 0.705 nan 8.190 nan 0.000 0.451 47 E N -0.200 119.946 120.200 -0.090 0.000 2.085 47 E HA -0.284 4.066 4.350 -0.000 0.000 0.194 47 E C 2.402 179.001 176.600 -0.001 0.000 0.994 47 E CA 1.513 57.903 56.400 -0.016 0.000 0.801 47 E CB -0.017 29.747 29.700 0.107 0.000 0.743 47 E HN 0.418 nan 8.360 nan 0.000 0.453 48 R N -0.081 120.420 120.500 0.002 0.000 2.061 48 R HA -0.069 4.271 4.340 -0.000 0.000 0.230 48 R C 2.154 178.444 176.300 -0.017 0.000 1.140 48 R CA 1.529 57.630 56.100 0.002 0.000 0.940 48 R CB -0.355 29.948 30.300 0.006 0.000 0.839 48 R HN 0.155 nan 8.270 nan 0.000 0.429 49 A N 0.199 122.997 122.820 -0.038 0.000 2.070 49 A HA -0.050 4.270 4.320 -0.000 0.000 0.220 49 A C 2.194 179.748 177.584 -0.050 0.000 1.159 49 A CA 1.538 53.546 52.037 -0.049 0.000 0.656 49 A CB -0.722 18.235 19.000 -0.071 0.000 0.800 49 A HN 0.521 nan 8.150 nan 0.000 0.453 50 A N 0.875 123.664 122.820 -0.052 0.000 1.835 50 A HA -0.053 4.267 4.320 -0.000 0.000 0.215 50 A C 0.350 177.923 177.584 -0.019 0.000 1.199 50 A CA 1.760 53.769 52.037 -0.046 0.000 0.615 50 A CB -1.505 17.465 19.000 -0.051 0.000 0.838 50 A HN 0.494 nan 8.150 nan 0.000 0.444 51 P HA -0.092 nan 4.420 nan 0.000 0.229 51 P C 1.177 178.479 177.300 0.003 0.000 1.160 51 P CA 1.041 64.145 63.100 0.007 0.000 0.777 51 P CB 0.038 31.747 31.700 0.016 0.000 0.814 52 E N 0.859 121.055 120.200 -0.006 0.000 2.031 52 E HA -0.129 4.221 4.350 -0.000 0.000 0.193 52 E C 1.998 178.590 176.600 -0.012 0.000 0.994 52 E CA 1.071 57.466 56.400 -0.009 0.000 0.800 52 E CB -0.722 28.969 29.700 -0.016 0.000 0.752 52 E HN 0.237 nan 8.360 nan 0.000 0.447 53 I N 0.858 121.416 120.570 -0.020 0.000 2.493 53 I HA -0.205 3.965 4.170 -0.000 0.000 0.254 53 I C 2.192 178.304 176.117 -0.008 0.000 1.160 53 I CA 0.779 62.066 61.300 -0.022 0.000 1.445 53 I CB -0.014 37.963 38.000 -0.038 0.000 1.086 53 I HN -0.010 nan 8.210 nan 0.000 0.433 54 S N 0.429 116.130 115.700 0.002 0.000 2.423 54 S HA -0.137 4.333 4.470 -0.000 0.000 0.231 54 S C 2.430 177.041 174.600 0.018 0.000 1.014 54 S CA 1.312 59.523 58.200 0.017 0.000 0.965 54 S CB -0.471 62.746 63.200 0.028 0.000 0.785 54 S HN 0.589 nan 8.310 nan 0.000 0.495 55 R N 1.445 121.952 120.500 0.011 0.000 2.055 55 R HA 0.375 4.715 4.340 -0.000 0.000 0.226 55 R C 2.434 178.737 176.300 0.005 0.000 1.135 55 R CA 1.401 57.508 56.100 0.010 0.000 0.959 55 R CB -1.533 28.771 30.300 0.007 0.000 0.854 55 R HN 0.450 nan 8.270 nan 0.000 0.431 56 A N 0.829 123.648 122.820 -0.002 0.000 2.172 56 A HA -0.051 4.269 4.320 -0.000 0.000 0.216 56 A C 2.255 179.835 177.584 -0.006 0.000 1.154 56 A CA 2.202 54.235 52.037 -0.007 0.000 0.701 56 A CB -0.495 18.495 19.000 -0.015 0.000 0.789 56 A HN 0.724 nan 8.150 nan 0.000 0.465 57 T N -6.627 107.926 114.554 -0.000 0.000 2.987 57 T HA 0.429 4.779 4.350 -0.000 0.000 0.248 57 T C 1.454 176.160 174.700 0.010 0.000 0.997 57 T CA 1.092 63.193 62.100 0.002 0.000 1.013 57 T CB 0.164 69.033 68.868 0.003 0.000 1.077 57 T HN 1.619 nan 8.240 nan 0.000 0.483 58 G N 1.460 110.271 108.800 0.017 0.000 2.141 58 G HA2 -0.185 3.775 3.960 -0.000 0.000 0.242 58 G HA3 -0.185 3.775 3.960 -0.000 0.000 0.242 58 G C 0.063 174.986 174.900 0.037 0.000 0.982 58 G CA 0.165 45.282 45.100 0.028 0.000 0.662 58 G HN 0.844 nan 8.290 nan 0.000 0.527 59 T N 2.168 116.741 114.554 0.032 0.000 2.758 59 T HA 0.557 4.907 4.350 -0.000 0.000 0.285 59 T C -2.562 172.169 174.700 0.052 0.000 0.981 59 T CA -1.265 60.857 62.100 0.037 0.000 0.965 59 T CB 2.412 71.290 68.868 0.016 0.000 0.927 59 T HN 0.033 nan 8.240 nan 0.000 0.448 60 P HA 0.163 nan 4.420 nan 0.000 0.263 60 P C -0.867 176.488 177.300 0.090 0.000 1.195 60 P CA -0.178 62.984 63.100 0.105 0.000 0.762 60 P CB 0.341 32.144 31.700 0.171 0.000 0.799 61 V N 4.167 124.120 119.914 0.065 0.000 2.325 61 V HA 0.202 4.322 4.120 -0.000 0.000 0.280 61 V C 0.123 176.233 176.094 0.027 0.000 1.016 61 V CA -0.329 61.995 62.300 0.040 0.000 0.818 61 V CB 1.156 32.985 31.823 0.010 0.000 1.019 61 V HN 0.467 nan 8.190 nan 0.000 0.434 62 S N 3.851 119.563 115.700 0.020 0.000 2.616 62 S HA 0.811 5.281 4.470 -0.000 0.000 0.277 62 S C -0.275 174.289 174.600 -0.060 0.000 1.234 62 S CA -0.740 57.450 58.200 -0.017 0.000 1.028 62 S CB 2.184 65.345 63.200 -0.065 0.000 0.988 62 S HN 0.432 nan 8.310 nan 0.000 0.522 63 V N 1.791 121.674 119.914 -0.053 0.000 2.709 63 V HA 0.662 4.782 4.120 -0.000 0.000 0.308 63 V C -0.134 175.968 176.094 0.014 0.000 1.062 63 V CA -0.772 61.479 62.300 -0.081 0.000 0.901 63 V CB 1.687 33.373 31.823 -0.228 0.000 1.003 63 V HN 0.829 nan 8.190 nan 0.000 0.425 64 R N 2.654 123.193 120.500 0.065 0.000 2.734 64 R HA 0.663 5.003 4.340 -0.000 0.000 0.271 64 R C -1.768 174.672 176.300 0.233 0.000 1.021 64 R CA -0.926 55.264 56.100 0.150 0.000 0.893 64 R CB 2.574 32.892 30.300 0.030 0.000 1.244 64 R HN 0.538 nan 8.270 nan 0.000 0.464 65 L N 2.102 123.446 121.223 0.202 0.000 2.343 65 L HA 0.322 4.662 4.340 -0.000 0.000 0.275 65 L C 0.546 177.447 176.870 0.052 0.000 1.056 65 L CA -0.615 54.299 54.840 0.123 0.000 0.804 65 L CB 1.571 43.645 42.059 0.024 0.000 1.203 65 L HN 0.537 nan 8.230 nan 0.000 0.440 66 Q N 1.536 121.341 119.800 0.007 0.000 2.364 66 Q HA 0.234 4.574 4.340 -0.000 0.000 0.267 66 Q C -1.050 174.955 176.000 0.008 0.000 0.999 66 Q CA -0.308 55.506 55.803 0.018 0.000 0.886 66 Q CB 0.920 29.662 28.738 0.006 0.000 1.243 66 Q HN 0.505 nan 8.270 nan 0.000 0.415 67 E N 1.396 121.621 120.200 0.042 0.000 2.222 67 E HA 0.339 4.689 4.350 -0.000 0.000 0.267 67 E C -1.031 175.590 176.600 0.034 0.000 0.963 67 E CA -1.132 55.290 56.400 0.037 0.000 0.837 67 E CB 1.297 31.038 29.700 0.069 0.000 1.183 67 E HN 0.484 nan 8.360 nan 0.000 0.403 68 R N 1.812 122.324 120.500 0.019 0.000 2.248 68 R HA 0.137 4.477 4.340 -0.000 0.000 0.337 68 R C -0.425 175.892 176.300 0.028 0.000 1.085 68 R CA 0.294 56.402 56.100 0.014 0.000 0.934 68 R CB -0.137 30.162 30.300 -0.001 0.000 1.034 68 R HN 0.536 nan 8.270 nan 0.000 0.465 69 L N 3.166 124.410 121.223 0.035 0.000 2.817 69 L HA 0.447 4.787 4.340 -0.000 0.000 0.248 69 L C 1.063 177.936 176.870 0.005 0.000 1.133 69 L CA 0.231 55.090 54.840 0.033 0.000 0.935 69 L CB 0.956 43.058 42.059 0.071 0.000 1.266 69 L HN 0.723 nan 8.230 nan 0.000 0.535 70 G N -0.974 107.827 108.800 0.001 0.000 2.753 70 G HA2 0.433 4.393 3.960 -0.000 0.000 0.285 70 G HA3 0.433 4.393 3.960 -0.000 0.000 0.285 70 G C 0.619 175.511 174.900 -0.012 0.000 1.344 70 G CA 0.538 45.631 45.100 -0.011 0.000 1.050 70 G HN 0.050 nan 8.290 nan 0.000 0.532 71 T N -2.584 111.961 114.554 -0.015 0.000 2.985 71 T HA 0.346 4.696 4.350 -0.000 0.000 0.254 71 T C 0.609 175.303 174.700 -0.010 0.000 1.021 71 T CA -0.007 62.086 62.100 -0.012 0.000 0.957 71 T CB -0.003 68.858 68.868 -0.013 0.000 1.047 71 T HN 0.107 nan 8.240 nan 0.000 0.511 72 L N 1.283 122.498 121.223 -0.014 0.000 2.578 72 L HA 0.563 4.903 4.340 -0.000 0.000 0.259 72 L C 0.757 177.619 176.870 -0.013 0.000 1.082 72 L CA -1.439 53.395 54.840 -0.010 0.000 0.843 72 L CB 0.491 42.543 42.059 -0.012 0.000 1.535 72 L HN 0.221 nan 8.230 nan 0.000 0.510 73 R N 1.059 121.552 120.500 -0.011 0.000 2.583 73 R HA 0.012 4.351 4.340 -0.000 0.000 0.274 73 R C -2.186 174.094 176.300 -0.033 0.000 0.998 73 R CA -0.879 55.212 56.100 -0.016 0.000 1.081 73 R CB 0.124 30.415 30.300 -0.015 0.000 0.940 73 R HN 0.237 nan 8.270 nan 0.000 0.413 74 P HA 0.088 nan 4.420 nan 0.000 0.267 74 P C -0.656 176.647 177.300 0.005 0.000 1.328 74 P CA 0.279 63.385 63.100 0.008 0.000 0.990 74 P CB 1.081 32.804 31.700 0.039 0.000 1.168 75 G N 2.628 111.355 108.800 -0.122 0.000 3.195 75 G HA2 0.181 4.141 3.960 -0.000 0.000 0.217 75 G HA3 0.181 4.141 3.960 -0.000 0.000 0.217 75 G C 0.571 175.281 174.900 -0.317 0.000 1.166 75 G CA -0.423 44.482 45.100 -0.326 0.000 0.812 75 G HN 0.232 nan 8.290 nan 0.000 0.617 76 K N -0.340 119.753 120.400 -0.512 0.000 2.209 76 K HA -0.002 4.318 4.320 -0.000 0.000 0.204 76 K C 2.259 178.738 176.600 -0.202 0.000 1.048 76 K CA 1.707 57.785 56.287 -0.350 0.000 0.940 76 K CB -0.701 31.554 32.500 -0.409 0.000 0.729 76 K HN 0.421 nan 8.250 nan 0.000 0.451 77 G N 1.154 109.831 108.800 -0.206 0.000 2.440 77 G HA2 -0.281 3.679 3.960 -0.000 0.000 0.218 77 G HA3 -0.281 3.679 3.960 -0.000 0.000 0.218 77 G C 1.068 175.933 174.900 -0.059 0.000 1.154 77 G CA 1.171 46.180 45.100 -0.152 0.000 0.767 77 G HN 0.327 nan 8.290 nan 0.000 0.552 78 D N 0.585 120.961 120.400 -0.039 0.000 2.097 78 D HA -0.058 4.582 4.640 -0.000 0.000 0.195 78 D C 2.692 179.023 176.300 0.053 0.000 0.989 78 D CA 1.260 55.272 54.000 0.020 0.000 0.827 78 D CB -0.887 39.921 40.800 0.012 0.000 0.966 78 D HN 0.269 nan 8.370 nan 0.000 0.456 79 G N 0.770 109.582 108.800 0.021 0.000 2.529 79 G HA2 -0.309 3.651 3.960 -0.000 0.000 0.219 79 G HA3 -0.309 3.651 3.960 -0.000 0.000 0.219 79 G C 1.674 176.660 174.900 0.143 0.000 1.177 79 G CA 1.089 46.221 45.100 0.053 0.000 0.773 79 G HN 0.232 nan 8.290 nan 0.000 0.573 80 M N 0.121 119.791 119.600 0.116 0.000 2.156 80 M HA 0.009 4.489 4.480 -0.000 0.000 0.264 80 M C 2.424 178.920 176.300 0.327 0.000 1.067 80 M CA 0.849 56.267 55.300 0.197 0.000 1.131 80 M CB -0.315 32.223 32.600 -0.103 0.000 1.368 80 M HN 0.109 nan 8.290 nan 0.000 0.416 81 N N 0.072 118.930 118.700 0.263 0.000 2.223 81 N HA -0.110 4.630 4.740 -0.000 0.000 0.185 81 N C 1.628 177.351 175.510 0.355 0.000 1.016 81 N CA 1.586 54.847 53.050 0.352 0.000 0.863 81 N CB -0.555 38.098 38.487 0.277 0.000 0.983 81 N HN 0.307 nan 8.380 nan 0.000 0.429 82 T N 0.913 115.624 114.554 0.262 0.000 2.737 82 T HA -0.030 4.320 4.350 -0.000 0.000 0.265 82 T C 1.968 176.816 174.700 0.245 0.000 1.038 82 T CA 1.334 63.572 62.100 0.231 0.000 1.144 82 T CB -0.353 68.614 68.868 0.165 0.000 0.866 82 T HN 0.327 nan 8.240 nan 0.000 0.434 83 A N 1.088 124.073 122.820 0.275 0.000 1.948 83 A HA -0.074 4.246 4.320 -0.000 0.000 0.220 83 A C 2.197 179.983 177.584 0.337 0.000 1.177 83 A CA 1.293 53.508 52.037 0.297 0.000 0.636 83 A CB -0.850 18.336 19.000 0.310 0.000 0.815 83 A HN 0.365 nan 8.150 nan 0.000 0.449 84 L N -0.258 121.171 121.223 0.342 0.000 2.046 84 L HA -0.171 4.168 4.340 -0.000 0.000 0.208 84 L C 2.598 179.439 176.870 -0.049 0.000 1.077 84 L CA 2.374 57.361 54.840 0.245 0.000 0.747 84 L CB -0.665 41.579 42.059 0.308 0.000 0.896 84 L HN 0.628 nan 8.230 nan 0.000 0.432 85 R N -1.526 118.857 120.500 -0.195 0.000 2.070 85 R HA -0.279 4.061 4.340 -0.000 0.000 0.232 85 R C 2.422 178.693 176.300 -0.049 0.000 1.138 85 R CA 1.986 57.884 56.100 -0.337 0.000 0.936 85 R CB -1.205 29.048 30.300 -0.078 0.000 0.839 85 R HN 0.300 nan 8.270 nan 0.000 0.429 86 Y N 0.475 120.781 120.300 0.010 0.000 2.096 86 Y HA -0.344 4.206 4.550 -0.000 0.000 0.278 86 Y C 1.975 177.914 175.900 0.064 0.000 1.192 86 Y CA 2.396 60.529 58.100 0.055 0.000 1.143 86 Y CB -0.640 37.888 38.460 0.114 0.000 0.963 86 Y HN 0.293 nan 8.280 nan 0.000 0.505 87 F N -0.323 119.674 119.950 0.078 0.000 2.146 87 F HA -0.146 4.381 4.527 -0.000 0.000 0.298 87 F C 1.754 177.496 175.800 -0.097 0.000 1.096 87 F CA 1.682 59.707 58.000 0.042 0.000 1.275 87 F CB -0.539 38.533 39.000 0.121 0.000 1.008 87 F HN 0.046 nan 8.300 nan 0.000 0.480 88 L N -0.221 120.835 121.223 -0.279 0.000 2.095 88 L HA -0.048 4.292 4.340 -0.000 0.000 0.204 88 L C 2.155 178.823 176.870 -0.336 0.000 1.080 88 L CA 1.358 55.968 54.840 -0.384 0.000 0.759 88 L CB -0.549 41.367 42.059 -0.238 0.000 0.914 88 L HN 0.079 nan 8.230 nan 0.000 0.439 89 E N -0.504 119.529 120.200 -0.279 0.000 2.400 89 E HA -0.039 4.311 4.350 -0.000 0.000 0.195 89 E C 0.950 177.393 176.600 -0.260 0.000 1.012 89 E CA 0.364 56.633 56.400 -0.217 0.000 0.875 89 E CB 0.453 30.071 29.700 -0.137 0.000 0.859 89 E HN 0.469 nan 8.360 nan 0.000 0.498 90 E N 0.130 120.102 120.200 -0.380 0.000 2.641 90 E HA 0.047 4.397 4.350 -0.000 0.000 0.224 90 E C 0.065 176.319 176.600 -0.577 0.000 0.951 90 E CA 0.114 56.241 56.400 -0.455 0.000 1.102 90 E CB 1.394 30.780 29.700 -0.525 0.000 1.091 90 E HN 0.054 nan 8.360 nan 0.000 0.507 91 T N -2.388 111.810 114.554 -0.594 0.000 2.865 91 T HA 0.307 4.657 4.350 -0.000 0.000 0.294 91 T C 0.161 174.424 174.700 -0.729 0.000 1.119 91 T CA -0.676 61.006 62.100 -0.696 0.000 1.007 91 T CB 2.201 70.682 68.868 -0.645 0.000 1.225 91 T HN -0.249 nan 8.240 nan 0.000 0.515 92 Q N -0.283 118.937 119.800 -0.966 0.000 2.282 92 Q HA 0.367 4.707 4.340 -0.000 0.000 0.206 92 Q C -0.640 175.077 176.000 -0.471 0.000 0.878 92 Q CA -0.350 55.044 55.803 -0.683 0.000 0.944 92 Q CB 0.039 28.404 28.738 -0.622 0.000 1.100 92 Q HN 0.728 nan 8.270 nan 0.000 0.509 93 W N 0.591 121.813 121.300 -0.129 0.000 2.148 93 W HA 0.056 4.716 4.660 0.000 0.000 0.347 93 W C 1.452 178.048 176.519 0.128 0.000 1.288 93 W CA -0.631 56.760 57.345 0.076 0.000 1.252 93 W CB 0.714 30.358 29.460 0.306 0.000 1.156 93 W HN 0.055 nan 8.180 nan 0.000 0.580 94 E N 1.019 121.551 120.200 0.553 0.000 2.086 94 E HA 0.016 4.366 4.350 -0.000 0.000 0.190 94 E C 0.324 177.212 176.600 0.481 0.000 0.975 94 E CA 1.002 57.639 56.400 0.394 0.000 0.813 94 E CB 0.138 30.028 29.700 0.316 0.000 0.768 94 E HN 0.417 nan 8.360 nan 0.000 0.457 95 R N 0.005 120.803 120.500 0.496 0.000 2.686 95 R HA 0.539 4.879 4.340 -0.000 0.000 0.286 95 R C -0.627 175.733 176.300 0.100 0.000 0.969 95 R CA -0.468 55.809 56.100 0.295 0.000 0.898 95 R CB 2.509 32.938 30.300 0.215 0.000 1.183 95 R HN -0.034 nan 8.270 nan 0.000 0.456 96 I N 1.984 122.361 120.570 -0.322 0.000 2.441 96 I HA 0.364 4.534 4.170 -0.000 0.000 0.295 96 I C -0.594 175.393 176.117 -0.216 0.000 0.994 96 I CA -0.550 60.425 61.300 -0.542 0.000 1.144 96 I CB 1.005 38.239 38.000 -1.277 0.000 1.314 96 I HN 0.608 nan 8.210 nan 0.000 0.445 97 H N 6.454 125.291 119.070 -0.389 0.000 2.499 97 H HA 0.424 4.980 4.556 -0.000 0.000 0.340 97 H C -1.473 173.468 175.328 -0.645 0.000 1.148 97 H CA -0.579 55.261 56.048 -0.346 0.000 1.215 97 H CB 1.987 31.663 29.762 -0.143 0.000 1.529 97 H HN 0.381 nan 8.280 nan 0.000 0.510 98 F N 1.540 121.267 119.950 -0.373 0.000 2.520 98 F HA 0.328 4.855 4.527 -0.000 0.000 0.322 98 F C -0.923 174.462 175.800 -0.693 0.000 1.103 98 F CA -0.629 57.150 58.000 -0.369 0.000 0.926 98 F CB 1.347 40.261 39.000 -0.143 0.000 1.154 98 F HN 0.408 nan 8.300 nan 0.000 0.453 99 Y N 0.909 121.189 120.300 -0.033 0.000 2.421 99 Y HA 0.311 4.860 4.550 -0.000 0.000 0.339 99 Y C -0.390 175.563 175.900 0.089 0.000 0.996 99 Y CA -1.532 56.564 58.100 -0.007 0.000 1.046 99 Y CB 1.214 39.536 38.460 -0.230 0.000 1.226 99 Y HN 0.450 nan 8.280 nan 0.000 0.445 100 D N 1.157 121.727 120.400 0.283 0.000 2.449 100 D HA 0.129 4.769 4.640 -0.000 0.000 0.236 100 D C 0.912 177.369 176.300 0.262 0.000 1.149 100 D CA 0.533 54.684 54.000 0.251 0.000 0.878 100 D CB 1.391 42.299 40.800 0.179 0.000 1.198 100 D HN 0.781 nan 8.370 nan 0.000 0.446 101 A N 2.543 125.515 122.820 0.254 0.000 1.930 101 A HA -0.172 4.148 4.320 -0.000 0.000 0.217 101 A C 1.435 179.039 177.584 0.033 0.000 1.175 101 A CA 1.375 53.495 52.037 0.139 0.000 0.627 101 A CB -0.206 18.890 19.000 0.160 0.000 0.815 101 A HN 0.638 nan 8.150 nan 0.000 0.443 102 D N -0.135 120.323 120.400 0.097 0.000 2.363 102 D HA 0.040 4.680 4.640 -0.000 0.000 0.226 102 D C 0.488 176.824 176.300 0.061 0.000 1.020 102 D CA -0.146 53.910 54.000 0.092 0.000 0.892 102 D CB -0.711 40.185 40.800 0.161 0.000 0.900 102 D HN 0.466 nan 8.370 nan 0.000 0.531 103 I N 1.339 121.914 120.570 0.008 0.000 2.710 103 I HA -0.052 4.118 4.170 -0.000 0.000 0.286 103 I C 1.662 177.720 176.117 -0.100 0.000 1.181 103 I CA 0.612 61.891 61.300 -0.035 0.000 1.430 103 I CB 1.021 38.965 38.000 -0.092 0.000 1.367 103 I HN 0.036 nan 8.210 nan 0.000 0.577 104 T N -1.293 113.226 114.554 -0.058 0.000 3.003 104 T HA 0.067 4.417 4.350 -0.000 0.000 0.261 104 T C 0.914 175.554 174.700 -0.100 0.000 1.003 104 T CA 0.281 62.320 62.100 -0.100 0.000 0.917 104 T CB 0.085 68.932 68.868 -0.036 0.000 1.084 104 T HN 0.609 nan 8.240 nan 0.000 0.522 105 S N 0.334 116.015 115.700 -0.031 0.000 2.568 105 S HA 0.391 4.861 4.470 -0.000 0.000 0.232 105 S C -0.036 174.518 174.600 -0.077 0.000 0.975 105 S CA -0.809 57.421 58.200 0.050 0.000 0.949 105 S CB -0.716 62.626 63.200 0.237 0.000 0.829 105 S HN 0.403 nan 8.310 nan 0.000 0.479 106 F N 3.093 122.647 119.950 -0.660 0.000 2.563 106 F HA 0.519 5.046 4.527 -0.000 0.000 0.363 106 F C 0.798 176.125 175.800 -0.789 0.000 1.123 106 F CA 0.531 57.756 58.000 -1.291 0.000 1.307 106 F CB 0.203 38.595 39.000 -1.014 0.000 1.115 106 F HN 0.300 nan 8.300 nan 0.000 0.592 107 G N 4.864 112.748 108.800 -1.528 0.000 2.682 107 G HA2 0.403 4.363 3.960 -0.000 0.000 0.290 107 G HA3 0.403 4.363 3.960 -0.000 0.000 0.290 107 G C -2.720 171.695 174.900 -0.808 0.000 1.425 107 G CA -0.898 43.750 45.100 -0.753 0.000 0.807 107 G HN 0.300 nan 8.290 nan 0.000 0.482 108 P HA -0.024 nan 4.420 nan 0.000 0.220 108 P C 0.881 178.214 177.300 0.056 0.000 1.148 108 P CA 0.852 63.917 63.100 -0.058 0.000 0.803 108 P CB 0.370 32.138 31.700 0.113 0.000 0.782 109 D N -0.765 119.689 120.400 0.089 0.000 2.158 109 D HA -0.176 4.464 4.640 -0.000 0.000 0.197 109 D C 1.747 178.202 176.300 0.257 0.000 0.995 109 D CA 1.055 55.165 54.000 0.183 0.000 0.846 109 D CB -0.494 40.416 40.800 0.183 0.000 0.941 109 D HN 0.165 nan 8.370 nan 0.000 0.456 110 W N 1.050 122.275 121.300 -0.124 0.000 2.338 110 W HA -0.068 4.592 4.660 -0.000 0.000 0.304 110 W C 2.472 179.112 176.519 0.201 0.000 1.212 110 W CA 0.213 57.580 57.345 0.037 0.000 1.264 110 W CB -1.092 28.241 29.460 -0.211 0.000 1.142 110 W HN 0.031 nan 8.180 nan 0.000 0.512 111 I N -0.610 120.081 120.570 0.203 0.000 2.193 111 I HA -0.264 3.906 4.170 -0.000 0.000 0.240 111 I C 2.329 178.530 176.117 0.140 0.000 1.084 111 I CA 1.702 63.101 61.300 0.164 0.000 1.365 111 I CB -1.154 36.595 38.000 -0.419 0.000 1.064 111 I HN -0.139 nan 8.210 nan 0.000 0.410 112 T N 0.859 115.483 114.554 0.116 0.000 2.624 112 T HA -0.273 4.077 4.350 -0.000 0.000 0.268 112 T C 1.918 176.719 174.700 0.168 0.000 1.041 112 T CA 1.683 63.916 62.100 0.221 0.000 1.159 112 T CB -0.301 68.722 68.868 0.258 0.000 0.863 112 T HN 0.260 nan 8.240 nan 0.000 0.434 113 K N 0.863 121.360 120.400 0.163 0.000 2.032 113 K HA -0.043 4.277 4.320 -0.000 0.000 0.209 113 K C 2.679 179.319 176.600 0.068 0.000 1.048 113 K CA 1.327 57.676 56.287 0.103 0.000 0.927 113 K CB -0.376 32.170 32.500 0.077 0.000 0.712 113 K HN 0.321 nan 8.250 nan 0.000 0.441 114 A N 1.443 124.320 122.820 0.095 0.000 1.902 114 A HA -0.194 4.126 4.320 -0.000 0.000 0.217 114 A C 1.970 179.575 177.584 0.036 0.000 1.181 114 A CA 1.456 53.492 52.037 -0.001 0.000 0.623 114 A CB -0.336 18.655 19.000 -0.015 0.000 0.818 114 A HN 0.189 nan 8.150 nan 0.000 0.443 115 E N 0.148 120.417 120.200 0.116 0.000 2.038 115 E HA -0.212 4.138 4.350 -0.000 0.000 0.195 115 E C 1.932 178.598 176.600 0.110 0.000 1.000 115 E CA 1.605 58.085 56.400 0.134 0.000 0.803 115 E CB -0.449 29.355 29.700 0.174 0.000 0.750 115 E HN 0.775 nan 8.360 nan 0.000 0.448 116 E N 0.460 120.720 120.200 0.100 0.000 2.153 116 E HA -0.133 4.217 4.350 -0.000 0.000 0.194 116 E C 1.973 178.620 176.600 0.078 0.000 0.988 116 E CA 0.847 57.300 56.400 0.089 0.000 0.811 116 E CB -0.074 29.671 29.700 0.074 0.000 0.746 116 E HN 0.198 nan 8.360 nan 0.000 0.466 117 A N 1.386 124.221 122.820 0.025 0.000 1.930 117 A HA -0.077 4.243 4.320 -0.000 0.000 0.217 117 A C 2.360 180.069 177.584 0.208 0.000 1.175 117 A CA 1.540 53.573 52.037 -0.006 0.000 0.627 117 A CB -0.470 18.444 19.000 -0.144 0.000 0.815 117 A HN 0.291 nan 8.150 nan 0.000 0.443 118 A N 0.100 123.010 122.820 0.150 0.000 1.898 118 A HA -0.135 4.185 4.320 -0.000 0.000 0.216 118 A C 1.739 179.407 177.584 0.141 0.000 1.181 118 A CA 1.729 53.861 52.037 0.157 0.000 0.620 118 A CB -0.579 18.487 19.000 0.109 0.000 0.819 118 A HN 0.432 nan 8.150 nan 0.000 0.442 119 D N -0.733 119.746 120.400 0.133 0.000 2.133 119 D HA -0.197 4.442 4.640 -0.000 0.000 0.192 119 D C 1.524 177.886 176.300 0.103 0.000 1.001 119 D CA 1.384 55.449 54.000 0.109 0.000 0.844 119 D CB -0.530 40.336 40.800 0.111 0.000 0.944 119 D HN 0.481 nan 8.370 nan 0.000 0.447 120 F N -0.205 119.737 119.950 -0.013 0.000 2.307 120 F HA -0.034 4.493 4.527 -0.000 0.000 0.301 120 F C 1.753 177.448 175.800 -0.175 0.000 1.076 120 F CA 1.694 59.654 58.000 -0.067 0.000 1.383 120 F CB 0.337 39.313 39.000 -0.040 0.000 1.055 120 F HN 0.128 nan 8.300 nan 0.000 0.526 121 G N -2.356 106.423 108.800 -0.036 0.000 2.672 121 G HA2 -0.193 3.767 3.960 -0.000 0.000 0.197 121 G HA3 -0.193 3.767 3.960 -0.000 0.000 0.197 121 G C -0.228 174.571 174.900 -0.167 0.000 0.995 121 G CA -0.340 44.642 45.100 -0.197 0.000 0.754 121 G HN 0.187 nan 8.290 nan 0.000 0.505 122 Y N 1.237 121.595 120.300 0.097 0.000 2.411 122 Y HA 0.443 4.993 4.550 -0.000 0.000 0.333 122 Y C 1.817 177.749 175.900 0.054 0.000 1.186 122 Y CA 1.077 59.228 58.100 0.085 0.000 1.381 122 Y CB 1.406 39.927 38.460 0.102 0.000 1.273 122 Y HN 0.062 nan 8.280 nan 0.000 0.546 123 G N 2.575 111.488 108.800 0.188 0.000 2.426 123 G HA2 0.015 3.975 3.960 -0.000 0.000 0.214 123 G HA3 0.015 3.975 3.960 -0.000 0.000 0.214 123 G C 0.073 175.031 174.900 0.097 0.000 1.156 123 G CA 0.101 45.268 45.100 0.112 0.000 0.802 123 G HN 0.477 nan 8.290 nan 0.000 0.534 124 L N 1.031 122.320 121.223 0.110 0.000 2.362 124 L HA 0.646 4.986 4.340 -0.000 0.000 0.271 124 L C -1.341 175.563 176.870 0.055 0.000 1.002 124 L CA -0.730 54.141 54.840 0.051 0.000 0.818 124 L CB 2.605 44.675 42.059 0.018 0.000 1.298 124 L HN -0.137 nan 8.230 nan 0.000 0.420 125 V N 4.403 124.315 119.914 -0.003 0.000 2.483 125 V HA 0.494 4.614 4.120 -0.000 0.000 0.297 125 V C -0.380 175.660 176.094 -0.091 0.000 1.027 125 V CA -0.710 61.561 62.300 -0.048 0.000 0.855 125 V CB 1.945 33.721 31.823 -0.078 0.000 0.995 125 V HN 0.733 nan 8.190 nan 0.000 0.424 126 R N 3.397 123.840 120.500 -0.094 0.000 2.407 126 R HA 0.554 4.894 4.340 -0.000 0.000 0.303 126 R C -0.624 175.604 176.300 -0.120 0.000 0.981 126 R CA -0.729 55.342 56.100 -0.048 0.000 0.905 126 R CB 1.296 31.586 30.300 -0.017 0.000 1.099 126 R HN 0.704 nan 8.270 nan 0.000 0.459 127 H N 3.234 122.259 119.070 -0.075 0.000 2.562 127 H HA 0.115 4.671 4.556 -0.000 0.000 0.314 127 H C -0.596 174.469 175.328 -0.438 0.000 1.079 127 H CA -0.169 55.700 56.048 -0.297 0.000 1.349 127 H CB 1.002 30.573 29.762 -0.319 0.000 1.432 127 H HN 0.578 nan 8.280 nan 0.000 0.479 128 Y N 1.661 121.574 120.300 -0.645 0.000 2.598 128 Y HA 0.647 5.197 4.550 -0.000 0.000 0.340 128 Y C -1.836 173.550 175.900 -0.857 0.000 1.038 128 Y CA -1.764 56.000 58.100 -0.560 0.000 1.100 128 Y CB 1.073 39.441 38.460 -0.153 0.000 1.281 128 Y HN 0.251 nan 8.280 nan 0.000 0.488 129 F N 1.336 121.191 119.950 -0.158 0.000 2.599 129 F HA 0.648 5.175 4.527 -0.000 0.000 0.311 129 F C -2.469 173.282 175.800 -0.082 0.000 1.076 129 F CA -2.514 55.289 58.000 -0.328 0.000 0.937 129 F CB 2.030 40.931 39.000 -0.166 0.000 1.282 129 F HN 0.343 nan 8.300 nan 0.000 0.460 130 P HA 0.200 nan 4.420 nan 0.000 0.269 130 P C -0.738 176.711 177.300 0.248 0.000 1.215 130 P CA -0.218 63.027 63.100 0.242 0.000 0.780 130 P CB 0.822 32.616 31.700 0.158 0.000 0.898 131 R N 0.586 121.276 120.500 0.316 0.000 2.744 131 R HA 0.664 5.004 4.340 -0.000 0.000 0.279 131 R C -0.334 176.170 176.300 0.341 0.000 0.977 131 R CA -1.049 55.232 56.100 0.301 0.000 0.906 131 R CB 2.259 32.760 30.300 0.335 0.000 1.197 131 R HN 0.556 nan 8.270 nan 0.000 0.463 132 A N 0.721 123.696 122.820 0.259 0.000 2.386 132 A HA 0.174 4.493 4.320 -0.000 0.000 0.248 132 A C 1.232 178.976 177.584 0.267 0.000 1.082 132 A CA 0.305 52.508 52.037 0.276 0.000 0.789 132 A CB 0.303 19.403 19.000 0.167 0.000 1.025 132 A HN 0.840 nan 8.150 nan 0.000 0.490 133 S N 0.089 115.939 115.700 0.249 0.000 2.469 133 S HA -0.137 4.333 4.470 -0.000 0.000 0.238 133 S C 1.185 175.906 174.600 0.202 0.000 0.998 133 S CA 1.688 59.959 58.200 0.118 0.000 0.957 133 S CB -0.728 62.483 63.200 0.018 0.000 0.764 133 S HN 1.188 nan 8.310 nan 0.000 0.514 134 T N -2.169 112.498 114.554 0.190 0.000 3.069 134 T HA 0.269 4.619 4.350 -0.000 0.000 0.252 134 T C 0.014 174.839 174.700 0.207 0.000 1.053 134 T CA -0.505 61.738 62.100 0.238 0.000 0.964 134 T CB -0.094 68.907 68.868 0.222 0.000 1.005 134 T HN 0.120 nan 8.240 nan 0.000 0.532 135 D N 1.518 122.032 120.400 0.190 0.000 2.354 135 D HA 0.537 5.177 4.640 -0.000 0.000 0.247 135 D C 0.924 177.352 176.300 0.212 0.000 1.138 135 D CA 0.659 54.773 54.000 0.189 0.000 0.958 135 D CB 1.116 42.036 40.800 0.200 0.000 1.144 135 D HN 0.347 nan 8.370 nan 0.000 0.458 136 A N 1.554 124.498 122.820 0.206 0.000 2.930 136 A HA -0.204 4.116 4.320 -0.000 0.000 0.273 136 A C 1.468 179.212 177.584 0.268 0.000 1.435 136 A CA 0.680 52.849 52.037 0.221 0.000 0.780 136 A CB -1.725 17.432 19.000 0.262 0.000 1.034 136 A HN 0.459 nan 8.150 nan 0.000 0.562 137 M N -1.238 118.499 119.600 0.228 0.000 2.476 137 M HA 0.038 4.518 4.480 -0.000 0.000 0.262 137 M C 1.957 178.514 176.300 0.428 0.000 1.079 137 M CA 1.504 56.944 55.300 0.233 0.000 1.104 137 M CB -0.828 31.784 32.600 0.021 0.000 1.409 137 M HN 0.718 nan 8.290 nan 0.000 0.467 138 I N -0.484 120.275 120.570 0.315 0.000 2.235 138 I HA -0.217 3.953 4.170 -0.000 0.000 0.241 138 I C 2.272 178.425 176.117 0.059 0.000 1.085 138 I CA 1.074 62.437 61.300 0.104 0.000 1.378 138 I CB -0.557 37.363 38.000 -0.133 0.000 1.076 138 I HN 0.203 nan 8.210 nan 0.000 0.415 139 T N 0.010 114.563 114.554 -0.002 0.000 2.620 139 T HA -0.278 4.072 4.350 -0.000 0.000 0.267 139 T C 1.420 176.015 174.700 -0.175 0.000 1.044 139 T CA 2.204 64.219 62.100 -0.141 0.000 1.161 139 T CB -0.446 68.293 68.868 -0.215 0.000 0.862 139 T HN 0.393 nan 8.240 nan 0.000 0.438 140 W N 0.222 121.508 121.300 -0.024 0.000 2.441 140 W HA 0.150 4.810 4.660 -0.000 0.000 0.302 140 W C 2.378 178.910 176.519 0.021 0.000 1.191 140 W CA 0.205 57.508 57.345 -0.069 0.000 1.327 140 W CB -0.113 29.232 29.460 -0.192 0.000 1.128 140 W HN 0.122 nan 8.180 nan 0.000 0.522 141 M N -0.837 118.964 119.600 0.335 0.000 2.514 141 M HA 0.042 4.522 4.480 -0.000 0.000 0.258 141 M C 1.380 178.079 176.300 0.665 0.000 1.119 141 M CA 0.986 56.519 55.300 0.389 0.000 1.111 141 M CB -0.617 32.041 32.600 0.097 0.000 1.390 141 M HN 0.032 nan 8.290 nan 0.000 0.475 142 I N -0.921 119.905 120.570 0.426 0.000 3.345 142 I HA 0.000 4.170 4.170 -0.000 0.000 0.258 142 I C 1.977 178.212 176.117 0.198 0.000 1.134 142 I CA 1.117 62.671 61.300 0.422 0.000 1.457 142 I CB -1.111 36.986 38.000 0.162 0.000 1.425 142 I HN 0.140 nan 8.210 nan 0.000 0.461 143 T N 1.468 115.995 114.554 -0.044 0.000 2.735 143 T HA -0.004 4.346 4.350 -0.000 0.000 0.256 143 T C 2.013 176.447 174.700 -0.444 0.000 1.042 143 T CA 0.930 62.821 62.100 -0.348 0.000 1.147 143 T CB -0.186 68.459 68.868 -0.372 0.000 0.865 143 T HN 0.173 nan 8.240 nan 0.000 0.421 144 R N 0.841 121.208 120.500 -0.221 0.000 2.096 144 R HA -0.033 4.307 4.340 -0.000 0.000 0.235 144 R C 2.752 179.068 176.300 0.026 0.000 1.127 144 R CA 1.481 57.533 56.100 -0.079 0.000 0.968 144 R CB -0.846 29.305 30.300 -0.249 0.000 0.861 144 R HN 0.305 nan 8.270 nan 0.000 0.440 145 T N 0.254 114.839 114.554 0.051 0.000 2.652 145 T HA -0.147 4.203 4.350 -0.000 0.000 0.267 145 T C 1.919 176.449 174.700 -0.284 0.000 1.039 145 T CA 1.700 63.810 62.100 0.016 0.000 1.153 145 T CB -0.587 68.348 68.868 0.112 0.000 0.863 145 T HN 0.553 nan 8.240 nan 0.000 0.428 146 G N 0.852 109.445 108.800 -0.345 0.000 2.433 146 G HA2 -0.165 3.795 3.960 -0.000 0.000 0.216 146 G HA3 -0.165 3.795 3.960 -0.000 0.000 0.216 146 G C 1.288 176.211 174.900 0.039 0.000 1.186 146 G CA 0.471 45.377 45.100 -0.323 0.000 0.779 146 G HN 0.363 nan 8.290 nan 0.000 0.543 147 F N 2.003 122.037 119.950 0.140 0.000 2.087 147 F HA -0.121 4.406 4.527 -0.000 0.000 0.299 147 F C 3.062 178.975 175.800 0.188 0.000 1.100 147 F CA 0.557 58.747 58.000 0.317 0.000 1.226 147 F CB -1.077 38.050 39.000 0.212 0.000 0.983 147 F HN 0.278 nan 8.300 nan 0.000 0.479 148 A N -0.299 122.671 122.820 0.250 0.000 1.930 148 A HA -0.090 4.230 4.320 -0.000 0.000 0.217 148 A C 2.290 179.908 177.584 0.058 0.000 1.175 148 A CA 1.224 53.347 52.037 0.144 0.000 0.627 148 A CB -0.972 18.102 19.000 0.123 0.000 0.815 148 A HN 0.392 nan 8.150 nan 0.000 0.443 149 L N -1.135 120.035 121.223 -0.089 0.000 2.395 149 L HA 0.059 4.399 4.340 -0.000 0.000 0.218 149 L C 1.976 178.744 176.870 -0.169 0.000 1.130 149 L CA 0.447 55.182 54.840 -0.176 0.000 0.826 149 L CB -0.095 41.710 42.059 -0.423 0.000 0.941 149 L HN 0.339 nan 8.230 nan 0.000 0.451 150 L N -2.394 118.676 121.223 -0.254 0.000 2.537 150 L HA 0.100 4.440 4.340 -0.000 0.000 0.224 150 L C 0.349 176.728 176.870 -0.819 0.000 1.065 150 L CA 0.028 54.459 54.840 -0.682 0.000 0.860 150 L CB 0.433 41.713 42.059 -1.297 0.000 1.086 150 L HN 0.301 nan 8.230 nan 0.000 0.482 151 W N 0.537 121.921 121.300 0.140 0.000 1.402 151 W HA 0.299 4.959 4.660 -0.000 0.000 0.300 151 W C -2.071 174.520 176.519 0.120 0.000 0.853 151 W CA -1.243 56.181 57.345 0.132 0.000 2.057 151 W CB -0.022 29.499 29.460 0.101 0.000 2.087 151 W HN -0.066 nan 8.180 nan 0.000 0.466 152 P HA -0.186 nan 4.420 nan 0.000 0.221 152 P C 1.090 178.434 177.300 0.073 0.000 1.145 152 P CA 1.717 64.877 63.100 0.101 0.000 0.795 152 P CB 0.215 31.895 31.700 -0.032 0.000 0.775 153 H N -1.223 117.984 119.070 0.227 0.000 2.592 153 H HA 0.114 4.670 4.556 -0.000 0.000 0.265 153 H C 1.119 176.549 175.328 0.169 0.000 0.955 153 H CA 0.773 56.933 56.048 0.187 0.000 1.175 153 H CB 0.154 29.994 29.762 0.130 0.000 1.433 153 H HN 0.224 nan 8.280 nan 0.000 0.537 154 T N -1.502 113.221 114.554 0.282 0.000 2.862 154 T HA 0.107 4.457 4.350 -0.000 0.000 0.276 154 T C 1.225 176.025 174.700 0.166 0.000 0.974 154 T CA -0.606 61.583 62.100 0.148 0.000 0.966 154 T CB 2.122 71.014 68.868 0.040 0.000 1.072 154 T HN -0.093 nan 8.240 nan 0.000 0.538 155 E N -0.271 119.956 120.200 0.045 0.000 2.478 155 E HA 0.120 4.470 4.350 -0.000 0.000 0.198 155 E C 1.775 178.426 176.600 0.084 0.000 1.046 155 E CA 0.409 56.866 56.400 0.095 0.000 0.870 155 E CB -0.771 28.908 29.700 -0.036 0.000 0.818 155 E HN 0.674 nan 8.360 nan 0.000 0.527 156 L N 0.114 121.265 121.223 -0.121 0.000 1.990 156 L HA -0.262 4.077 4.340 -0.000 0.000 0.213 156 L C 2.286 179.071 176.870 -0.140 0.000 1.072 156 L CA 1.831 56.410 54.840 -0.436 0.000 0.755 156 L CB -0.641 40.890 42.059 -0.881 0.000 0.889 156 L HN 0.231 nan 8.230 nan 0.000 0.432 157 S N -2.151 113.612 115.700 0.104 0.000 2.607 157 S HA -0.127 4.343 4.470 -0.000 0.000 0.224 157 S C 1.236 175.811 174.600 -0.040 0.000 0.969 157 S CA 0.016 58.298 58.200 0.137 0.000 0.927 157 S CB -0.576 62.675 63.200 0.086 0.000 0.772 157 S HN 0.475 nan 8.310 nan 0.000 0.533 158 W N 1.371 122.708 121.300 0.062 0.000 3.197 158 W HA 0.454 5.114 4.660 -0.000 0.000 0.274 158 W C 0.224 176.810 176.519 0.110 0.000 1.297 158 W CA -0.874 56.535 57.345 0.108 0.000 1.662 158 W CB 0.025 29.582 29.460 0.163 0.000 1.106 158 W HN 0.149 nan 8.180 nan 0.000 0.663 159 I N 2.071 122.731 120.570 0.151 0.000 2.618 159 I HA -0.059 4.111 4.170 -0.000 0.000 0.284 159 I C 1.526 177.622 176.117 -0.034 0.000 1.146 159 I CA 0.137 61.444 61.300 0.012 0.000 1.425 159 I CB 0.768 38.719 38.000 -0.083 0.000 1.383 159 I HN 0.034 nan 8.210 nan 0.000 0.562 160 E N 4.397 124.537 120.200 -0.100 0.000 2.077 160 E HA -0.135 4.215 4.350 -0.000 0.000 0.193 160 E C 0.273 176.771 176.600 -0.170 0.000 0.989 160 E CA 1.403 57.694 56.400 -0.181 0.000 0.800 160 E CB 0.175 29.620 29.700 -0.424 0.000 0.746 160 E HN 0.588 nan 8.360 nan 0.000 0.452 161 Q N -0.341 119.406 119.800 -0.088 0.000 3.429 161 Q HA 0.141 4.481 4.340 -0.000 0.000 0.237 161 Q C -2.088 173.914 176.000 0.002 0.000 0.932 161 Q CA -1.066 54.717 55.803 -0.033 0.000 0.731 161 Q CB 1.912 30.706 28.738 0.094 0.000 1.383 161 Q HN 0.019 nan 8.270 nan 0.000 0.446 162 P HA -0.123 nan 4.420 nan 0.000 0.226 162 P C 0.567 177.905 177.300 0.063 0.000 1.153 162 P CA 0.891 64.038 63.100 0.078 0.000 0.777 162 P CB 0.448 32.265 31.700 0.194 0.000 0.794 163 L N -1.121 120.112 121.223 0.017 0.000 2.628 163 L HA 0.284 4.624 4.340 -0.000 0.000 0.229 163 L C 1.303 178.202 176.870 0.049 0.000 1.137 163 L CA -0.395 54.453 54.840 0.013 0.000 0.909 163 L CB -0.422 41.617 42.059 -0.033 0.000 1.137 163 L HN -0.092 nan 8.230 nan 0.000 0.470 164 G N -0.150 108.699 108.800 0.081 0.000 2.365 164 G HA2 0.275 4.235 3.960 -0.000 0.000 0.249 164 G HA3 0.275 4.235 3.960 -0.000 0.000 0.249 164 G C 0.920 175.900 174.900 0.134 0.000 1.288 164 G CA 0.069 45.251 45.100 0.137 0.000 0.887 164 G HN 0.288 nan 8.290 nan 0.000 0.524 165 G N 1.284 110.174 108.800 0.149 0.000 3.042 165 G HA2 0.226 4.185 3.960 -0.000 0.000 0.212 165 G HA3 0.226 4.185 3.960 -0.000 0.000 0.212 165 G C 0.278 175.275 174.900 0.161 0.000 1.166 165 G CA -0.131 45.047 45.100 0.131 0.000 0.767 165 G HN 0.533 nan 8.290 nan 0.000 0.546 166 E N 0.368 120.703 120.200 0.226 0.000 2.092 166 E HA 0.575 4.924 4.350 -0.000 0.000 0.271 166 E C -0.409 176.343 176.600 0.254 0.000 0.919 166 E CA -0.426 56.091 56.400 0.196 0.000 0.760 166 E CB 1.565 31.499 29.700 0.391 0.000 1.106 166 E HN 0.281 nan 8.360 nan 0.000 0.408 167 L N 0.380 121.667 121.223 0.106 0.000 2.720 167 L HA 0.667 5.007 4.340 -0.000 0.000 0.261 167 L C -1.550 175.298 176.870 -0.037 0.000 1.046 167 L CA -1.143 53.763 54.840 0.110 0.000 0.886 167 L CB 1.017 43.128 42.059 0.086 0.000 1.493 167 L HN 0.423 nan 8.230 nan 0.000 0.407 168 L N 0.967 122.138 121.223 -0.088 0.000 2.408 168 L HA 0.851 5.191 4.340 -0.000 0.000 0.268 168 L C -1.495 175.324 176.870 -0.084 0.000 0.986 168 L CA -0.549 54.176 54.840 -0.191 0.000 0.820 168 L CB 2.038 43.866 42.059 -0.386 0.000 1.303 168 L HN 0.832 nan 8.230 nan 0.000 0.411 169 M N 3.636 123.192 119.600 -0.074 0.000 2.465 169 M HA 0.580 5.059 4.480 -0.000 0.000 0.316 169 M C -0.562 175.746 176.300 0.012 0.000 1.121 169 M CA -0.716 54.566 55.300 -0.030 0.000 0.934 169 M CB 2.218 34.789 32.600 -0.047 0.000 1.692 169 M HN 0.513 nan 8.290 nan 0.000 0.444 170 R N 0.669 121.210 120.500 0.068 0.000 2.694 170 R HA 0.168 4.508 4.340 -0.000 0.000 0.268 170 R C 1.273 177.692 176.300 0.199 0.000 1.061 170 R CA -0.162 56.017 56.100 0.132 0.000 1.133 170 R CB 0.638 31.002 30.300 0.107 0.000 1.020 170 R HN 0.685 nan 8.270 nan 0.000 0.475 171 R N 2.037 122.715 120.500 0.296 0.000 2.133 171 R HA -0.279 4.061 4.340 -0.000 0.000 0.245 171 R C 1.237 177.662 176.300 0.208 0.000 1.137 171 R CA 2.603 58.910 56.100 0.346 0.000 0.947 171 R CB -0.101 30.312 30.300 0.188 0.000 0.865 171 R HN 0.742 nan 8.270 nan 0.000 0.437 172 E N -0.439 119.838 120.200 0.128 0.000 2.209 172 E HA -0.155 4.195 4.350 -0.000 0.000 0.196 172 E C 1.933 178.583 176.600 0.083 0.000 0.993 172 E CA 1.420 57.871 56.400 0.086 0.000 0.819 172 E CB -0.041 29.694 29.700 0.059 0.000 0.745 172 E HN 0.224 nan 8.360 nan 0.000 0.477 173 V N 1.293 121.259 119.914 0.087 0.000 2.379 173 V HA -0.118 4.002 4.120 -0.000 0.000 0.243 173 V C 2.416 178.542 176.094 0.053 0.000 1.035 173 V CA 1.379 63.709 62.300 0.050 0.000 1.035 173 V CB -0.657 31.182 31.823 0.027 0.000 0.673 173 V HN 0.382 nan 8.190 nan 0.000 0.457 174 A N 0.537 123.418 122.820 0.100 0.000 1.903 174 A HA -0.266 4.054 4.320 -0.000 0.000 0.219 174 A C 2.417 180.105 177.584 0.174 0.000 1.191 174 A CA 2.725 54.845 52.037 0.138 0.000 0.638 174 A CB -0.953 18.237 19.000 0.316 0.000 0.823 174 A HN 0.589 nan 8.150 nan 0.000 0.451 175 A N -1.067 121.857 122.820 0.172 0.000 1.858 175 A HA -0.146 4.174 4.320 -0.000 0.000 0.216 175 A C 2.230 179.908 177.584 0.157 0.000 1.190 175 A CA 2.127 54.264 52.037 0.165 0.000 0.617 175 A CB -0.594 18.471 19.000 0.108 0.000 0.827 175 A HN 0.549 nan 8.150 nan 0.000 0.443 176 M N -0.246 119.416 119.600 0.104 0.000 2.144 176 M HA -0.154 4.326 4.480 -0.000 0.000 0.260 176 M C 1.898 178.250 176.300 0.087 0.000 1.067 176 M CA 1.787 57.133 55.300 0.078 0.000 1.095 176 M CB -0.830 31.799 32.600 0.048 0.000 1.365 176 M HN 0.442 nan 8.290 nan 0.000 0.406 177 L N -1.593 119.687 121.223 0.095 0.000 2.131 177 L HA -0.201 4.139 4.340 -0.000 0.000 0.206 177 L C 2.445 179.421 176.870 0.176 0.000 1.087 177 L CA 0.871 55.772 54.840 0.103 0.000 0.767 177 L CB -0.865 41.193 42.059 -0.001 0.000 0.917 177 L HN 0.215 nan 8.230 nan 0.000 0.441 178 Y N 1.165 121.512 120.300 0.079 0.000 2.224 178 Y HA -0.274 4.276 4.550 -0.000 0.000 0.289 178 Y C 2.423 178.370 175.900 0.078 0.000 1.146 178 Y CA 1.626 59.785 58.100 0.099 0.000 1.182 178 Y CB -0.002 38.523 38.460 0.108 0.000 0.983 178 Y HN 0.143 nan 8.280 nan 0.000 0.524 179 E N 0.271 120.522 120.200 0.084 0.000 2.268 179 E HA -0.141 4.209 4.350 -0.000 0.000 0.195 179 E C 0.298 176.880 176.600 -0.030 0.000 0.995 179 E CA 0.663 57.065 56.400 0.003 0.000 0.836 179 E CB -0.154 29.576 29.700 0.050 0.000 0.763 179 E HN 0.287 nan 8.360 nan 0.000 0.491 180 D N 0.240 120.639 120.400 -0.001 0.000 2.317 180 D HA -0.024 4.616 4.640 -0.000 0.000 0.252 180 D C 0.395 176.685 176.300 -0.016 0.000 1.174 180 D CA 0.127 54.134 54.000 0.012 0.000 0.866 180 D CB 0.867 41.700 40.800 0.054 0.000 1.127 180 D HN 0.128 nan 8.370 nan 0.000 0.467 181 E N 2.745 122.933 120.200 -0.019 0.000 2.085 181 E HA -0.241 4.109 4.350 -0.000 0.000 0.194 181 E C 1.756 178.344 176.600 -0.020 0.000 0.994 181 E CA 1.254 57.636 56.400 -0.030 0.000 0.801 181 E CB 0.292 29.981 29.700 -0.019 0.000 0.743 181 E HN 0.411 nan 8.360 nan 0.000 0.453 182 R N 0.113 120.610 120.500 -0.005 0.000 2.081 182 R HA -0.118 4.222 4.340 -0.000 0.000 0.235 182 R C 2.396 178.696 176.300 -0.000 0.000 1.131 182 R CA 1.053 57.147 56.100 -0.011 0.000 0.960 182 R CB -0.618 29.671 30.300 -0.018 0.000 0.856 182 R HN 0.035 nan 8.270 nan 0.000 0.436 183 V N 0.723 120.658 119.914 0.035 0.000 2.307 183 V HA -0.221 3.899 4.120 -0.000 0.000 0.245 183 V C 2.321 178.441 176.094 0.044 0.000 1.045 183 V CA 1.881 64.226 62.300 0.076 0.000 1.024 183 V CB -0.479 31.450 31.823 0.176 0.000 0.651 183 V HN 0.166 nan 8.190 nan 0.000 0.449 184 R N 0.488 120.993 120.500 0.008 0.000 2.096 184 R HA -0.184 4.156 4.340 -0.000 0.000 0.240 184 R C 2.390 178.677 176.300 -0.023 0.000 1.139 184 R CA 1.851 57.931 56.100 -0.033 0.000 0.952 184 R CB -0.569 29.662 30.300 -0.116 0.000 0.854 184 R HN 0.394 nan 8.270 nan 0.000 0.436 185 R N -0.627 119.857 120.500 -0.026 0.000 2.117 185 R HA -0.093 4.247 4.340 -0.000 0.000 0.243 185 R C 0.681 176.964 176.300 -0.028 0.000 1.143 185 R CA 1.436 57.521 56.100 -0.025 0.000 0.968 185 R CB -0.228 30.057 30.300 -0.026 0.000 0.863 185 R HN -0.077 nan 8.270 nan 0.000 0.444 186 R N 0.816 121.295 120.500 -0.034 0.000 3.247 186 R HA 0.008 4.348 4.340 -0.000 0.000 0.212 186 R C 0.614 176.873 176.300 -0.069 0.000 1.604 186 R CA 0.111 56.179 56.100 -0.053 0.000 1.279 186 R CB -0.148 30.110 30.300 -0.070 0.000 1.277 186 R HN 0.254 nan 8.270 nan 0.000 0.669 187 S N -0.682 114.984 115.700 -0.056 0.000 2.489 187 S HA -0.091 4.379 4.470 -0.000 0.000 0.228 187 S C 0.724 175.255 174.600 -0.115 0.000 0.995 187 S CA 0.383 58.544 58.200 -0.066 0.000 0.934 187 S CB -0.275 62.901 63.200 -0.040 0.000 0.771 187 S HN 0.587 nan 8.310 nan 0.000 0.522 188 D N 0.198 120.533 120.400 -0.109 0.000 2.475 188 D HA 0.111 4.751 4.640 -0.000 0.000 0.286 188 D C 0.639 176.838 176.300 -0.168 0.000 1.205 188 D CA -0.984 52.920 54.000 -0.159 0.000 1.092 188 D CB -0.607 40.154 40.800 -0.065 0.000 1.147 188 D HN 0.297 nan 8.370 nan 0.000 0.575 189 W N -0.602 120.654 121.300 -0.073 0.000 2.538 189 W HA 0.155 4.815 4.660 -0.000 0.000 0.254 189 W C 2.208 178.662 176.519 -0.109 0.000 1.249 189 W CA 0.327 57.619 57.345 -0.088 0.000 1.253 189 W CB -0.083 29.332 29.460 -0.075 0.000 1.130 189 W HN 0.551 nan 8.180 nan 0.000 0.618 190 G N 0.207 109.066 108.800 0.098 0.000 2.776 190 G HA2 -0.206 3.754 3.960 -0.000 0.000 0.209 190 G HA3 -0.206 3.754 3.960 -0.000 0.000 0.209 190 G C 1.270 176.128 174.900 -0.070 0.000 1.145 190 G CA 0.307 45.412 45.100 0.008 0.000 0.791 190 G HN 0.170 nan 8.290 nan 0.000 0.530 191 I N 1.625 122.115 120.570 -0.134 0.000 2.127 191 I HA -0.162 4.008 4.170 -0.000 0.000 0.241 191 I C 2.073 177.932 176.117 -0.430 0.000 1.075 191 I CA 1.370 62.461 61.300 -0.350 0.000 1.334 191 I CB -0.226 37.495 38.000 -0.464 0.000 1.040 191 I HN 0.165 nan 8.210 nan 0.000 0.405 192 D N -0.586 119.665 120.400 -0.249 0.000 2.117 192 D HA -0.174 4.466 4.640 -0.000 0.000 0.197 192 D C 2.026 178.320 176.300 -0.010 0.000 0.987 192 D CA 2.002 55.920 54.000 -0.138 0.000 0.829 192 D CB -0.401 40.382 40.800 -0.028 0.000 0.961 192 D HN 0.374 nan 8.370 nan 0.000 0.460 193 T N 2.111 116.665 114.554 0.000 0.000 2.652 193 T HA -0.129 4.221 4.350 -0.000 0.000 0.267 193 T C 2.048 176.843 174.700 0.158 0.000 1.039 193 T CA 0.515 62.665 62.100 0.082 0.000 1.153 193 T CB -0.179 68.694 68.868 0.009 0.000 0.863 193 T HN 0.062 nan 8.240 nan 0.000 0.428 194 L N -0.055 121.205 121.223 0.061 0.000 2.046 194 L HA -0.074 4.266 4.340 -0.000 0.000 0.208 194 L C 2.514 179.528 176.870 0.240 0.000 1.077 194 L CA 1.882 56.788 54.840 0.111 0.000 0.747 194 L CB -1.290 40.782 42.059 0.023 0.000 0.896 194 L HN 0.310 nan 8.230 nan 0.000 0.432 195 Y N 0.612 120.945 120.300 0.054 0.000 2.165 195 Y HA -0.224 4.326 4.550 -0.000 0.000 0.286 195 Y C 2.895 178.814 175.900 0.032 0.000 1.155 195 Y CA 1.311 59.428 58.100 0.029 0.000 1.164 195 Y CB -1.577 36.871 38.460 -0.020 0.000 0.978 195 Y HN 0.211 nan 8.280 nan 0.000 0.513 196 T N 0.409 115.100 114.554 0.227 0.000 2.708 196 T HA -0.209 4.141 4.350 -0.000 0.000 0.266 196 T C 1.752 176.474 174.700 0.036 0.000 1.037 196 T CA 1.491 63.665 62.100 0.124 0.000 1.146 196 T CB -0.762 68.216 68.868 0.184 0.000 0.865 196 T HN 0.301 nan 8.240 nan 0.000 0.435 197 F N 1.598 121.535 119.950 -0.022 0.000 2.102 197 F HA -0.108 4.419 4.527 -0.000 0.000 0.298 197 F C 2.185 177.875 175.800 -0.184 0.000 1.105 197 F CA 0.939 58.825 58.000 -0.191 0.000 1.239 197 F CB -0.438 38.491 39.000 -0.118 0.000 0.991 197 F HN -0.088 nan 8.300 nan 0.000 0.474 198 V N 0.322 120.334 119.914 0.164 0.000 2.379 198 V HA -0.262 3.858 4.120 -0.000 0.000 0.245 198 V C 2.601 178.658 176.094 -0.061 0.000 1.044 198 V CA 2.116 64.471 62.300 0.091 0.000 1.036 198 V CB -1.349 30.582 31.823 0.180 0.000 0.664 198 V HN 0.604 nan 8.190 nan 0.000 0.453 199 T N -1.295 113.230 114.554 -0.047 0.000 2.699 199 T HA -0.211 4.139 4.350 -0.000 0.000 0.268 199 T C 1.814 176.419 174.700 -0.158 0.000 1.036 199 T CA 1.916 63.968 62.100 -0.081 0.000 1.147 199 T CB -0.738 68.093 68.868 -0.061 0.000 0.862 199 T HN 0.242 nan 8.240 nan 0.000 0.446 200 V N 2.163 121.920 119.914 -0.263 0.000 2.379 200 V HA 0.022 4.142 4.120 -0.000 0.000 0.245 200 V C 3.254 179.120 176.094 -0.381 0.000 1.044 200 V CA 1.475 63.569 62.300 -0.344 0.000 1.036 200 V CB -1.374 30.178 31.823 -0.451 0.000 0.664 200 V HN 0.691 nan 8.190 nan 0.000 0.453 201 A N -0.124 122.378 122.820 -0.529 0.000 2.019 201 A HA -0.005 4.315 4.320 -0.000 0.000 0.219 201 A C 2.175 179.622 177.584 -0.229 0.000 1.164 201 A CA 1.739 53.494 52.037 -0.471 0.000 0.644 201 A CB -0.476 18.165 19.000 -0.598 0.000 0.805 201 A HN 0.581 nan 8.150 nan 0.000 0.449 202 A N -1.748 120.971 122.820 -0.167 0.000 2.251 202 A HA 0.427 4.747 4.320 -0.000 0.000 0.209 202 A C 1.726 179.265 177.584 -0.075 0.000 1.187 202 A CA 1.069 53.053 52.037 -0.088 0.000 0.823 202 A CB -0.899 18.069 19.000 -0.053 0.000 0.846 202 A HN 1.816 nan 8.150 nan 0.000 0.486 203 G N -0.654 108.086 108.800 -0.100 0.000 2.179 203 G HA2 -0.216 3.744 3.960 -0.000 0.000 0.257 203 G HA3 -0.216 3.744 3.960 -0.000 0.000 0.257 203 G C 0.265 175.141 174.900 -0.040 0.000 1.010 203 G CA 0.191 45.249 45.100 -0.069 0.000 0.736 203 G HN 0.802 nan 8.290 nan 0.000 0.513 204 V N 1.276 121.165 119.914 -0.042 0.000 2.720 204 V HA 0.315 4.435 4.120 -0.000 0.000 0.307 204 V C 1.400 177.508 176.094 0.023 0.000 1.071 204 V CA 0.728 63.023 62.300 -0.008 0.000 1.199 204 V CB 1.098 32.913 31.823 -0.014 0.000 0.900 204 V HN 1.147 nan 8.190 nan 0.000 0.494 205 S N 5.877 121.618 115.700 0.069 0.000 2.513 205 S HA 0.684 5.154 4.470 -0.000 0.000 0.276 205 S C -0.762 174.000 174.600 0.270 0.000 1.254 205 S CA -0.662 57.627 58.200 0.149 0.000 1.053 205 S CB 0.576 63.840 63.200 0.106 0.000 0.958 205 S HN 0.455 nan 8.310 nan 0.000 0.491 206 I N 3.459 124.208 120.570 0.297 0.000 2.436 206 I HA 0.405 4.574 4.170 -0.000 0.000 0.289 206 I C -0.942 175.268 176.117 0.156 0.000 1.010 206 I CA -0.786 60.637 61.300 0.205 0.000 1.098 206 I CB 1.568 39.582 38.000 0.024 0.000 1.266 206 I HN 0.757 nan 8.210 nan 0.000 0.434 207 Y N 5.356 125.464 120.300 -0.321 0.000 2.429 207 Y HA 0.480 5.030 4.550 -0.000 0.000 0.342 207 Y C -0.564 175.165 175.900 -0.285 0.000 1.004 207 Y CA -0.648 57.091 58.100 -0.603 0.000 1.075 207 Y CB 1.563 39.224 38.460 -1.331 0.000 1.214 207 Y HN 0.499 nan 8.280 nan 0.000 0.455 208 E N 5.563 125.366 120.200 -0.662 0.000 2.129 208 E HA 0.400 4.750 4.350 -0.000 0.000 0.268 208 E C -1.029 175.280 176.600 -0.484 0.000 0.900 208 E CA -0.804 55.358 56.400 -0.397 0.000 0.755 208 E CB 0.923 30.440 29.700 -0.305 0.000 1.117 208 E HN 0.674 nan 8.360 nan 0.000 0.410 209 C N 1.646 120.786 119.300 -0.266 0.000 2.365 209 C HA 0.569 5.029 4.460 -0.000 0.000 0.349 209 C C -0.292 174.545 174.990 -0.256 0.000 1.191 209 C CA -1.095 57.807 59.018 -0.193 0.000 2.114 209 C CB -0.263 27.443 27.740 -0.057 0.000 2.367 209 C HN 0.789 nan 8.230 nan 0.000 0.530 210 Y N 2.638 122.646 120.300 -0.487 0.000 2.328 210 Y HA 0.686 5.236 4.550 -0.000 0.000 0.337 210 Y C -0.305 175.195 175.900 -0.665 0.000 1.008 210 Y CA -1.309 56.263 58.100 -0.880 0.000 1.129 210 Y CB 0.656 38.602 38.460 -0.858 0.000 1.185 210 Y HN 0.648 nan 8.280 nan 0.000 0.476 211 I N 9.771 129.586 120.570 -1.259 0.000 2.328 211 I HA 0.231 4.401 4.170 -0.000 0.000 0.287 211 I C -2.031 173.530 176.117 -0.928 0.000 1.012 211 I CA -2.451 58.287 61.300 -0.937 0.000 1.195 211 I CB 1.281 38.665 38.000 -1.027 0.000 1.350 211 I HN 0.565 nan 8.210 nan 0.000 0.464 212 P HA -0.089 nan 4.420 nan 0.000 0.215 212 P C 0.345 177.586 177.300 -0.097 0.000 1.157 212 P CA 0.864 63.767 63.100 -0.330 0.000 0.856 212 P CB 0.106 31.817 31.700 0.019 0.000 0.786 213 E N 1.345 121.555 120.200 0.016 0.000 2.442 213 E HA 0.100 4.450 4.350 -0.000 0.000 0.262 213 E C 0.608 177.271 176.600 0.106 0.000 1.004 213 E CA 0.103 56.583 56.400 0.132 0.000 0.928 213 E CB 0.100 29.922 29.700 0.204 0.000 0.937 213 E HN 0.022 nan 8.360 nan 0.000 0.446 214 G N 1.889 110.766 108.800 0.129 0.000 2.525 214 G HA2 0.051 4.011 3.960 -0.000 0.000 0.276 214 G HA3 0.051 4.011 3.960 -0.000 0.000 0.276 214 G C -0.493 174.442 174.900 0.059 0.000 1.388 214 G CA -0.619 44.533 45.100 0.087 0.000 1.050 214 G HN 0.563 nan 8.290 nan 0.000 0.520 215 K N 0.325 120.594 120.400 -0.219 0.000 2.300 215 K HA 0.508 4.828 4.320 -0.000 0.000 0.264 215 K C -0.065 176.518 176.600 -0.029 0.000 1.083 215 K CA -0.454 55.579 56.287 -0.423 0.000 0.958 215 K CB 0.292 32.022 32.500 -1.284 0.000 1.318 215 K HN 0.463 nan 8.250 nan 0.000 0.448 216 A N 4.650 127.534 122.820 0.108 0.000 2.362 216 A HA 0.337 4.657 4.320 -0.000 0.000 0.276 216 A C -0.733 176.993 177.584 0.236 0.000 1.153 216 A CA -0.194 51.956 52.037 0.188 0.000 0.813 216 A CB -0.175 18.907 19.000 0.136 0.000 1.081 216 A HN 1.026 nan 8.150 nan 0.000 0.507 217 H N -0.994 118.081 119.070 0.009 0.000 2.933 217 H HA 0.814 5.370 4.556 -0.000 0.000 0.310 217 H C 0.319 175.669 175.328 0.036 0.000 1.351 217 H CA -0.784 55.275 56.048 0.020 0.000 1.137 217 H CB 0.565 30.337 29.762 0.016 0.000 1.853 217 H HN 0.825 nan 8.280 nan 0.000 0.539 218 R N 0.002 120.509 120.500 0.011 0.000 2.505 218 R HA 0.435 4.775 4.340 -0.000 0.000 0.274 218 R C -0.030 176.160 176.300 -0.183 0.000 0.955 218 R CA 0.985 57.061 56.100 -0.040 0.000 1.109 218 R CB -1.762 28.571 30.300 0.054 0.000 0.890 218 R HN 0.968 nan 8.270 nan 0.000 0.415 219 L N -0.501 120.666 121.223 -0.094 0.000 2.304 219 L HA 0.986 5.326 4.340 -0.000 0.000 0.268 219 L C 0.527 177.380 176.870 -0.029 0.000 1.010 219 L CA -0.724 54.062 54.840 -0.090 0.000 0.813 219 L CB 1.153 43.180 42.059 -0.053 0.000 1.315 219 L HN 1.911 nan 8.230 nan 0.000 0.445 220 Y N 0.143 120.440 120.300 -0.005 0.000 2.349 220 Y HA 0.625 5.175 4.550 -0.000 0.000 0.324 220 Y C 0.841 176.782 175.900 0.068 0.000 1.005 220 Y CA -0.581 57.539 58.100 0.032 0.000 1.240 220 Y CB 1.032 39.513 38.460 0.034 0.000 1.117 220 Y HN 1.603 nan 8.280 nan 0.000 0.463 221 G N 1.812 110.651 108.800 0.064 0.000 2.736 221 G HA2 0.255 4.215 3.960 -0.000 0.000 0.214 221 G HA3 0.255 4.215 3.960 -0.000 0.000 0.214 221 G C 1.064 176.037 174.900 0.121 0.000 1.327 221 G CA 0.888 46.035 45.100 0.077 0.000 0.818 221 G HN 1.613 nan 8.290 nan 0.000 0.611 222 G N -1.491 107.377 108.800 0.114 0.000 2.477 222 G HA2 0.424 4.384 3.960 -0.000 0.000 0.304 222 G HA3 0.424 4.384 3.960 -0.000 0.000 0.304 222 G C 0.475 175.459 174.900 0.141 0.000 1.175 222 G CA -0.636 44.550 45.100 0.143 0.000 0.907 222 G HN 0.151 nan 8.290 nan 0.000 0.509 223 L N 0.803 122.104 121.223 0.130 0.000 2.265 223 L HA -0.036 4.304 4.340 -0.000 0.000 0.215 223 L C 2.419 179.516 176.870 0.379 0.000 1.117 223 L CA 1.535 56.469 54.840 0.156 0.000 0.782 223 L CB -0.510 41.507 42.059 -0.070 0.000 0.914 223 L HN 0.742 nan 8.230 nan 0.000 0.441 224 D N -2.099 118.485 120.400 0.307 0.000 2.371 224 D HA -0.162 4.478 4.640 -0.000 0.000 0.221 224 D C 1.206 177.487 176.300 -0.031 0.000 0.986 224 D CA 0.432 54.452 54.000 0.034 0.000 0.899 224 D CB -0.411 40.271 40.800 -0.196 0.000 0.902 224 D HN 0.278 nan 8.370 nan 0.000 0.530 225 D N 0.340 120.767 120.400 0.046 0.000 2.264 225 D HA -0.028 4.612 4.640 -0.000 0.000 0.208 225 D C 1.672 177.972 176.300 -0.000 0.000 0.966 225 D CA 0.418 54.430 54.000 0.020 0.000 0.864 225 D CB 0.274 41.096 40.800 0.037 0.000 0.933 225 D HN 0.356 nan 8.370 nan 0.000 0.499 226 L N 0.122 121.366 121.223 0.035 0.000 2.667 226 L HA 0.202 4.542 4.340 -0.000 0.000 0.232 226 L C 2.227 179.038 176.870 -0.098 0.000 1.138 226 L CA -0.170 54.645 54.840 -0.041 0.000 0.921 226 L CB 0.220 42.305 42.059 0.042 0.000 1.180 226 L HN -0.146 nan 8.230 nan 0.000 0.487 227 R N 0.146 120.602 120.500 -0.073 0.000 2.070 227 R HA -0.143 4.197 4.340 -0.000 0.000 0.233 227 R C 2.102 178.341 176.300 -0.102 0.000 1.137 227 R CA 2.082 58.096 56.100 -0.144 0.000 0.945 227 R CB -0.150 29.884 30.300 -0.444 0.000 0.845 227 R HN 0.149 nan 8.270 nan 0.000 0.430 228 T N 1.196 115.722 114.554 -0.047 0.000 2.652 228 T HA -0.232 4.118 4.350 -0.000 0.000 0.267 228 T C 1.737 176.471 174.700 0.058 0.000 1.039 228 T CA 1.787 63.920 62.100 0.055 0.000 1.153 228 T CB -0.200 68.762 68.868 0.156 0.000 0.863 228 T HN 0.277 nan 8.240 nan 0.000 0.428 229 M N 0.391 119.930 119.600 -0.102 0.000 2.082 229 M HA -0.136 4.343 4.480 -0.000 0.000 0.258 229 M C 2.209 178.365 176.300 -0.239 0.000 1.069 229 M CA 1.603 56.695 55.300 -0.346 0.000 1.102 229 M CB -0.331 31.827 32.600 -0.736 0.000 1.336 229 M HN 0.248 nan 8.290 nan 0.000 0.404 230 L N 0.232 121.273 121.223 -0.303 0.000 1.990 230 L HA -0.182 4.158 4.340 -0.000 0.000 0.213 230 L C 2.351 179.093 176.870 -0.213 0.000 1.072 230 L CA 2.330 56.924 54.840 -0.409 0.000 0.755 230 L CB -0.954 40.752 42.059 -0.589 0.000 0.889 230 L HN 0.414 nan 8.230 nan 0.000 0.432 231 V N -3.144 116.724 119.914 -0.077 0.000 2.453 231 V HA -0.152 3.968 4.120 -0.000 0.000 0.247 231 V C 2.189 178.333 176.094 0.084 0.000 1.048 231 V CA 1.696 64.020 62.300 0.040 0.000 1.049 231 V CB -0.960 30.973 31.823 0.183 0.000 0.672 231 V HN 0.596 nan 8.190 nan 0.000 0.457 232 E N -0.104 120.143 120.200 0.079 0.000 2.072 232 E HA -0.140 4.210 4.350 -0.000 0.000 0.191 232 E C 2.268 178.887 176.600 0.031 0.000 0.985 232 E CA 1.685 58.142 56.400 0.095 0.000 0.801 232 E CB -0.355 29.449 29.700 0.173 0.000 0.750 232 E HN 0.709 nan 8.360 nan 0.000 0.452 233 C N 0.500 119.792 119.300 -0.014 0.000 2.440 233 C HA -0.110 4.350 4.460 -0.000 0.000 0.278 233 C C 2.402 177.345 174.990 -0.078 0.000 1.295 233 C CA 0.239 59.219 59.018 -0.064 0.000 1.738 233 C CB -0.920 26.752 27.740 -0.114 0.000 1.987 233 C HN 0.421 nan 8.230 nan 0.000 0.492 234 F N 2.352 122.158 119.950 -0.241 0.000 2.146 234 F HA 0.002 4.529 4.527 -0.000 0.000 0.298 234 F C 2.317 177.953 175.800 -0.274 0.000 1.096 234 F CA 1.365 59.171 58.000 -0.323 0.000 1.275 234 F CB -0.505 38.180 39.000 -0.525 0.000 1.008 234 F HN 0.137 nan 8.300 nan 0.000 0.480 235 A N 0.521 123.224 122.820 -0.194 0.000 1.933 235 A HA -0.059 4.261 4.320 -0.000 0.000 0.218 235 A C 2.436 179.890 177.584 -0.216 0.000 1.175 235 A CA 1.718 53.660 52.037 -0.158 0.000 0.628 235 A CB -1.554 17.504 19.000 0.097 0.000 0.814 235 A HN 0.508 nan 8.150 nan 0.000 0.444 236 A N 0.197 122.919 122.820 -0.164 0.000 1.883 236 A HA -0.119 4.201 4.320 -0.000 0.000 0.217 236 A C 2.042 179.506 177.584 -0.200 0.000 1.186 236 A CA 1.716 53.667 52.037 -0.143 0.000 0.624 236 A CB -0.532 18.411 19.000 -0.095 0.000 0.822 236 A HN 0.414 nan 8.150 nan 0.000 0.444 237 I N -0.135 120.273 120.570 -0.270 0.000 2.226 237 I HA -0.255 3.915 4.170 -0.000 0.000 0.245 237 I C 2.670 178.602 176.117 -0.308 0.000 1.100 237 I CA 1.929 63.090 61.300 -0.233 0.000 1.374 237 I CB -1.368 36.490 38.000 -0.237 0.000 1.057 237 I HN 0.580 nan 8.210 nan 0.000 0.413 238 Q N 0.815 120.274 119.800 -0.568 0.000 2.124 238 Q HA -0.209 4.131 4.340 -0.000 0.000 0.202 238 Q C 2.330 178.166 176.000 -0.274 0.000 0.977 238 Q CA 2.418 57.914 55.803 -0.513 0.000 0.850 238 Q CB 0.075 28.439 28.738 -0.623 0.000 0.901 238 Q HN 0.588 nan 8.270 nan 0.000 0.429 239 S N -0.449 115.125 115.700 -0.210 0.000 2.447 239 S HA -0.063 4.407 4.470 -0.000 0.000 0.233 239 S C 1.672 176.199 174.600 -0.121 0.000 1.006 239 S CA 0.625 58.747 58.200 -0.129 0.000 0.957 239 S CB -0.157 62.980 63.200 -0.106 0.000 0.773 239 S HN 0.440 nan 8.310 nan 0.000 0.507 240 L N 1.637 122.772 121.223 -0.148 0.000 2.592 240 L HA 0.156 4.496 4.340 -0.000 0.000 0.227 240 L C 2.685 179.600 176.870 0.075 0.000 1.127 240 L CA 0.384 55.134 54.840 -0.148 0.000 0.884 240 L CB -0.425 41.392 42.059 -0.404 0.000 1.065 240 L HN 0.496 nan 8.230 nan 0.000 0.457 241 Q N -0.205 119.545 119.800 -0.084 0.000 2.376 241 Q HA -0.241 4.099 4.340 -0.000 0.000 0.211 241 Q C 1.080 176.912 176.000 -0.281 0.000 0.986 241 Q CA 1.572 57.226 55.803 -0.247 0.000 0.886 241 Q CB -0.217 28.254 28.738 -0.446 0.000 0.927 241 Q HN 0.561 nan 8.270 nan 0.000 0.457 242 H N -0.148 118.983 119.070 0.102 0.000 2.652 242 H HA 0.272 4.828 4.556 -0.000 0.000 0.274 242 H C 0.098 175.544 175.328 0.197 0.000 1.021 242 H CA -0.129 55.980 56.048 0.101 0.000 1.187 242 H CB 0.499 30.285 29.762 0.040 0.000 1.505 242 H HN 0.259 nan 8.280 nan 0.000 0.530 243 E N 1.391 121.813 120.200 0.370 0.000 2.409 243 E HA 0.154 4.504 4.350 -0.000 0.000 0.257 243 E C 0.018 176.924 176.600 0.510 0.000 1.150 243 E CA -0.134 56.484 56.400 0.364 0.000 0.942 243 E CB 1.692 31.531 29.700 0.233 0.000 0.979 243 E HN -0.116 nan 8.360 nan 0.000 0.447 244 V N 1.325 121.454 119.914 0.358 0.000 2.604 244 V HA 0.208 4.328 4.120 -0.000 0.000 0.305 244 V C -0.244 175.935 176.094 0.141 0.000 1.043 244 V CA -0.865 61.617 62.300 0.304 0.000 0.888 244 V CB 2.179 34.122 31.823 0.200 0.000 0.995 244 V HN 0.333 nan 8.190 nan 0.000 0.429 245 V N 3.794 123.740 119.914 0.054 0.000 2.364 245 V HA 0.430 4.550 4.120 -0.000 0.000 0.272 245 V C 1.176 177.245 176.094 -0.042 0.000 1.036 245 V CA 0.420 62.633 62.300 -0.146 0.000 0.880 245 V CB 1.109 32.739 31.823 -0.322 0.000 0.991 245 V HN 1.043 nan 8.190 nan 0.000 0.460 246 G N 4.487 113.254 108.800 -0.054 0.000 3.088 246 G HA2 0.258 4.218 3.960 -0.000 0.000 0.217 246 G HA3 0.258 4.218 3.960 -0.000 0.000 0.217 246 G C 0.294 175.176 174.900 -0.029 0.000 1.159 246 G CA 0.067 45.156 45.100 -0.018 0.000 0.760 246 G HN 0.723 nan 8.290 nan 0.000 0.550 247 Q N -0.280 119.486 119.800 -0.056 0.000 2.472 247 Q HA 0.469 4.808 4.340 -0.000 0.000 0.281 247 Q C -3.136 172.826 176.000 -0.064 0.000 0.997 247 Q CA -1.854 53.918 55.803 -0.051 0.000 0.828 247 Q CB 1.519 30.227 28.738 -0.049 0.000 1.443 247 Q HN -0.007 nan 8.270 nan 0.000 0.390 248 P HA 0.554 nan 4.420 nan 0.000 0.279 248 P C -1.218 176.053 177.300 -0.048 0.000 1.282 248 P CA -0.398 62.677 63.100 -0.042 0.000 0.788 248 P CB 0.762 32.447 31.700 -0.026 0.000 1.139 249 A N 0.236 123.035 122.820 -0.034 0.000 2.513 249 A HA 0.486 4.806 4.320 -0.000 0.000 0.296 249 A C -0.326 177.279 177.584 0.034 0.000 1.052 249 A CA -0.737 51.290 52.037 -0.016 0.000 0.714 249 A CB 0.566 19.532 19.000 -0.056 0.000 1.279 249 A HN 0.432 nan 8.150 nan 0.000 0.397 250 I N 3.300 123.908 120.570 0.063 0.000 2.683 250 I HA 0.102 4.272 4.170 -0.000 0.000 0.286 250 I C 0.426 176.677 176.117 0.224 0.000 1.175 250 I CA 0.774 62.145 61.300 0.119 0.000 1.429 250 I CB 0.284 38.356 38.000 0.119 0.000 1.371 250 I HN 0.762 nan 8.210 nan 0.000 0.569 251 H N 7.518 126.630 119.070 0.070 0.000 3.017 251 H HA 0.504 5.060 4.556 -0.000 0.000 0.340 251 H C -1.334 174.002 175.328 0.013 0.000 1.014 251 H CA -0.932 55.139 56.048 0.038 0.000 1.341 251 H CB 1.092 30.832 29.762 -0.037 0.000 1.739 251 H HN 0.620 nan 8.280 nan 0.000 0.506 252 R N 3.869 124.300 120.500 -0.116 0.000 2.725 252 R HA 0.281 4.621 4.340 -0.000 0.000 0.277 252 R C -1.165 174.864 176.300 -0.453 0.000 0.987 252 R CA -0.994 54.966 56.100 -0.234 0.000 0.901 252 R CB 3.003 33.363 30.300 0.100 0.000 1.207 252 R HN 0.614 nan 8.270 nan 0.000 0.463 253 Q N 1.200 120.738 119.800 -0.437 0.000 2.331 253 Q HA 0.214 4.554 4.340 -0.000 0.000 0.267 253 Q C -0.935 174.880 176.000 -0.309 0.000 1.006 253 Q CA -0.724 54.798 55.803 -0.468 0.000 0.818 253 Q CB 2.853 31.371 28.738 -0.365 0.000 1.276 253 Q HN 0.457 nan 8.270 nan 0.000 0.450 254 E N 2.048 122.019 120.200 -0.380 0.000 2.465 254 E HA -0.118 4.232 4.350 -0.000 0.000 0.260 254 E C -0.679 175.936 176.600 0.024 0.000 0.980 254 E CA -0.053 56.301 56.400 -0.076 0.000 0.927 254 E CB 0.461 30.141 29.700 -0.034 0.000 0.934 254 E HN 0.511 nan 8.360 nan 0.000 0.459 255 H N 5.835 124.883 119.070 -0.037 0.000 3.070 255 H HA 0.083 4.639 4.556 -0.000 0.000 0.313 255 H C -2.027 173.196 175.328 -0.175 0.000 0.997 255 H CA -1.146 54.865 56.048 -0.061 0.000 1.438 255 H CB 0.609 30.352 29.762 -0.033 0.000 1.455 255 H HN 0.303 nan 8.280 nan 0.000 0.575 256 P HA 0.105 nan 4.420 nan 0.000 0.279 256 P C -0.648 176.181 177.300 -0.786 0.000 1.239 256 P CA -0.314 62.042 63.100 -1.239 0.000 0.789 256 P CB 0.986 32.180 31.700 -0.843 0.000 0.933 257 H N 0.966 119.569 119.070 -0.778 0.000 2.660 257 H HA 0.214 4.770 4.556 -0.000 0.000 0.374 257 H C 1.039 176.287 175.328 -0.133 0.000 1.291 257 H CA -0.189 55.727 56.048 -0.221 0.000 1.437 257 H CB 0.064 29.837 29.762 0.019 0.000 1.509 257 H HN 0.242 nan 8.280 nan 0.000 0.614 258 R N 0.736 121.303 120.500 0.112 0.000 2.500 258 R HA -0.055 4.284 4.340 -0.000 0.000 0.281 258 R C -0.201 176.155 176.300 0.092 0.000 0.953 258 R CA 0.010 56.157 56.100 0.078 0.000 1.108 258 R CB -0.330 30.003 30.300 0.055 0.000 0.901 258 R HN 0.444 nan 8.270 nan 0.000 0.410 259 V N 7.369 127.300 119.914 0.029 0.000 2.584 259 V HA 0.020 4.140 4.120 -0.000 0.000 0.303 259 V C -1.659 174.391 176.094 -0.073 0.000 1.035 259 V CA -1.063 61.218 62.300 -0.032 0.000 1.172 259 V CB 0.572 32.229 31.823 -0.277 0.000 0.896 259 V HN 0.674 nan 8.190 nan 0.000 0.486 260 P HA 0.144 nan 4.420 nan 0.000 0.271 260 P C 0.915 178.152 177.300 -0.104 0.000 1.218 260 P CA -0.138 62.947 63.100 -0.024 0.000 0.780 260 P CB 0.960 32.680 31.700 0.033 0.000 0.901 261 V N 2.037 121.939 119.914 -0.019 0.000 2.287 261 V HA -0.274 3.846 4.120 -0.000 0.000 0.248 261 V C 2.385 178.470 176.094 -0.016 0.000 1.053 261 V CA 2.345 64.629 62.300 -0.027 0.000 1.027 261 V CB -1.573 30.261 31.823 0.018 0.000 0.646 261 V HN 0.775 nan 8.190 nan 0.000 0.447 262 H N -1.054 118.012 119.070 -0.006 0.000 2.518 262 H HA -0.067 4.489 4.556 -0.000 0.000 0.289 262 H C 2.057 177.392 175.328 0.013 0.000 1.051 262 H CA 1.834 57.885 56.048 0.005 0.000 1.280 262 H CB -0.205 29.566 29.762 0.015 0.000 1.380 262 H HN 0.447 nan 8.280 nan 0.000 0.566 263 I N 0.962 121.247 120.570 -0.476 0.000 2.429 263 I HA -0.018 4.152 4.170 -0.000 0.000 0.247 263 I C 2.930 178.977 176.117 -0.116 0.000 1.099 263 I CA 0.777 61.898 61.300 -0.299 0.000 1.422 263 I CB -0.230 37.575 38.000 -0.326 0.000 1.112 263 I HN 0.276 nan 8.210 nan 0.000 0.430 264 A N 0.341 123.062 122.820 -0.166 0.000 1.978 264 A HA -0.207 4.113 4.320 -0.000 0.000 0.220 264 A C 1.988 179.559 177.584 -0.021 0.000 1.170 264 A CA 1.630 53.574 52.037 -0.154 0.000 0.636 264 A CB -0.539 18.208 19.000 -0.423 0.000 0.810 264 A HN 0.465 nan 8.150 nan 0.000 0.448 265 E N -0.681 119.502 120.200 -0.027 0.000 2.476 265 E HA 0.021 4.371 4.350 -0.000 0.000 0.191 265 E C 0.819 177.427 176.600 0.015 0.000 1.064 265 E CA -0.433 55.969 56.400 0.003 0.000 0.866 265 E CB 0.073 29.777 29.700 0.007 0.000 0.952 265 E HN 0.409 nan 8.360 nan 0.000 0.492 266 R N 1.567 122.079 120.500 0.020 0.000 2.590 266 R HA 0.004 4.344 4.340 -0.000 0.000 0.274 266 R C 1.328 177.640 176.300 0.019 0.000 1.061 266 R CA -0.083 56.035 56.100 0.029 0.000 1.081 266 R CB 0.921 31.243 30.300 0.036 0.000 0.984 266 R HN 0.032 nan 8.270 nan 0.000 0.448 267 V N 4.614 124.533 119.914 0.008 0.000 2.232 267 V HA -0.306 3.814 4.120 -0.000 0.000 0.251 267 V C 1.497 177.565 176.094 -0.043 0.000 1.048 267 V CA 3.068 65.356 62.300 -0.019 0.000 1.029 267 V CB -0.819 30.997 31.823 -0.011 0.000 0.658 267 V HN 1.168 nan 8.190 nan 0.000 0.464 268 G N -1.500 107.297 108.800 -0.006 0.000 2.163 268 G HA2 -0.085 3.875 3.960 -0.000 0.000 0.207 268 G HA3 -0.085 3.875 3.960 -0.000 0.000 0.207 268 G C -0.174 174.812 174.900 0.142 0.000 2.263 268 G CA 0.333 45.453 45.100 0.034 0.000 1.616 268 G HN 1.770 nan 8.290 nan 0.000 0.521 269 Y N -0.247 120.038 120.300 -0.025 0.000 2.677 269 Y HA 0.715 5.265 4.550 -0.000 0.000 0.334 269 Y C -1.622 174.259 175.900 -0.033 0.000 1.196 269 Y CA -0.881 57.204 58.100 -0.024 0.000 1.059 269 Y CB 0.957 39.396 38.460 -0.035 0.000 1.315 269 Y HN 0.248 nan 8.280 nan 0.000 0.455 270 D N 1.478 121.939 120.400 0.101 0.000 2.393 270 D HA 0.216 4.856 4.640 -0.000 0.000 0.232 270 D C 0.800 177.120 176.300 0.033 0.000 1.192 270 D CA 0.063 54.066 54.000 0.004 0.000 0.882 270 D CB 1.711 42.545 40.800 0.057 0.000 1.038 270 D HN 0.554 nan 8.370 nan 0.000 0.499 271 V N 4.303 124.124 119.914 -0.156 0.000 2.287 271 V HA -0.217 3.903 4.120 -0.000 0.000 0.248 271 V C 2.370 178.471 176.094 0.012 0.000 1.053 271 V CA 1.812 64.053 62.300 -0.098 0.000 1.027 271 V CB -0.468 31.223 31.823 -0.221 0.000 0.646 271 V HN 0.651 nan 8.190 nan 0.000 0.447 272 E N 0.129 120.331 120.200 0.004 0.000 2.031 272 E HA -0.247 4.102 4.350 -0.000 0.000 0.193 272 E C 2.288 178.949 176.600 0.101 0.000 0.994 272 E CA 1.465 57.888 56.400 0.037 0.000 0.800 272 E CB -0.243 29.469 29.700 0.019 0.000 0.752 272 E HN 0.555 nan 8.360 nan 0.000 0.447 273 A N 0.137 123.024 122.820 0.112 0.000 1.978 273 A HA -0.172 4.148 4.320 -0.000 0.000 0.220 273 A C 2.335 180.014 177.584 0.158 0.000 1.170 273 A CA 2.034 54.164 52.037 0.156 0.000 0.636 273 A CB -0.782 18.293 19.000 0.125 0.000 0.810 273 A HN 0.307 nan 8.150 nan 0.000 0.448 274 T N 0.237 114.876 114.554 0.141 0.000 2.812 274 T HA -0.015 4.335 4.350 -0.000 0.000 0.264 274 T C 1.786 176.535 174.700 0.081 0.000 1.042 274 T CA 1.353 63.516 62.100 0.105 0.000 1.140 274 T CB -0.344 68.602 68.868 0.130 0.000 0.870 274 T HN 0.383 nan 8.240 nan 0.000 0.445 275 L N 0.094 121.376 121.223 0.099 0.000 2.083 275 L HA -0.129 4.211 4.340 -0.000 0.000 0.209 275 L C 2.510 179.502 176.870 0.204 0.000 1.083 275 L CA 1.555 56.471 54.840 0.126 0.000 0.752 275 L CB -0.650 41.480 42.059 0.119 0.000 0.899 275 L HN 0.451 nan 8.230 nan 0.000 0.433 276 H N 0.057 119.178 119.070 0.085 0.000 2.326 276 H HA -0.198 4.358 4.556 -0.000 0.000 0.301 276 H C 2.445 177.844 175.328 0.119 0.000 1.081 276 H CA 1.246 57.352 56.048 0.097 0.000 1.334 276 H CB 0.347 30.157 29.762 0.081 0.000 1.385 276 H HN 0.048 nan 8.280 nan 0.000 0.504 277 R N 0.832 121.387 120.500 0.092 0.000 2.159 277 R HA -0.109 4.231 4.340 -0.000 0.000 0.237 277 R C 2.159 178.519 176.300 0.100 0.000 1.131 277 R CA 0.760 56.880 56.100 0.033 0.000 0.982 277 R CB -0.742 29.614 30.300 0.093 0.000 0.868 277 R HN 0.332 nan 8.270 nan 0.000 0.453 278 L N -0.252 121.049 121.223 0.130 0.000 2.265 278 L HA 0.032 4.372 4.340 -0.000 0.000 0.215 278 L C 1.481 178.527 176.870 0.294 0.000 1.117 278 L CA 1.666 56.596 54.840 0.150 0.000 0.782 278 L CB -0.116 42.036 42.059 0.155 0.000 0.914 278 L HN 0.288 nan 8.230 nan 0.000 0.441 279 M N -1.636 118.151 119.600 0.311 0.000 2.431 279 M HA 0.133 4.613 4.480 -0.000 0.000 0.237 279 M C 0.101 176.681 176.300 0.467 0.000 1.130 279 M CA 0.201 55.757 55.300 0.427 0.000 1.002 279 M CB 0.285 33.072 32.600 0.312 0.000 1.524 279 M HN 0.164 nan 8.290 nan 0.000 0.482 280 Q N -1.212 118.786 119.800 0.329 0.000 2.495 280 Q HA 0.385 4.725 4.340 -0.000 0.000 0.283 280 Q C -0.345 175.820 176.000 0.275 0.000 1.097 280 Q CA -0.921 55.061 55.803 0.298 0.000 0.836 280 Q CB 1.289 30.148 28.738 0.202 0.000 1.426 280 Q HN 0.247 nan 8.270 nan 0.000 0.459 281 H N -1.491 117.608 119.070 0.048 0.000 2.861 281 H HA -0.199 4.357 4.556 -0.000 0.000 0.289 281 H C -1.030 174.271 175.328 -0.047 0.000 1.176 281 H CA 0.080 56.117 56.048 -0.017 0.000 1.146 281 H CB -1.092 28.624 29.762 -0.077 0.000 1.330 281 H HN 0.486 nan 8.280 nan 0.000 0.379 282 W N 1.154 122.517 121.300 0.105 0.000 2.161 282 W HA 0.315 4.975 4.660 -0.000 0.000 0.344 282 W C 0.903 177.433 176.519 0.018 0.000 1.262 282 W CA 0.907 58.285 57.345 0.054 0.000 1.270 282 W CB 0.985 30.468 29.460 0.037 0.000 1.126 282 W HN 0.175 nan 8.180 nan 0.000 0.598 283 T N -1.121 113.615 114.554 0.304 0.000 2.900 283 T HA 0.322 4.672 4.350 -0.000 0.000 0.303 283 T C -2.389 172.405 174.700 0.155 0.000 1.142 283 T CA -1.929 60.266 62.100 0.158 0.000 1.007 283 T CB 1.970 70.878 68.868 0.066 0.000 1.156 283 T HN -0.002 nan 8.240 nan 0.000 0.490 284 P HA -0.037 nan 4.420 nan 0.000 0.218 284 P C 1.551 178.874 177.300 0.039 0.000 1.148 284 P CA 0.795 63.927 63.100 0.053 0.000 0.822 284 P CB 0.119 31.834 31.700 0.024 0.000 0.784 285 R N -0.116 120.395 120.500 0.019 0.000 2.096 285 R HA -0.161 4.179 4.340 -0.000 0.000 0.235 285 R C 2.216 178.487 176.300 -0.049 0.000 1.127 285 R CA 1.509 57.596 56.100 -0.023 0.000 0.968 285 R CB -0.447 29.826 30.300 -0.044 0.000 0.861 285 R HN 0.182 nan 8.270 nan 0.000 0.440 286 Q N -0.342 119.452 119.800 -0.010 0.000 2.002 286 Q HA -0.150 4.190 4.340 -0.000 0.000 0.204 286 Q C 2.115 178.172 176.000 0.094 0.000 0.988 286 Q CA 2.075 57.870 55.803 -0.013 0.000 0.843 286 Q CB -0.113 28.643 28.738 0.029 0.000 0.908 286 Q HN 0.179 nan 8.270 nan 0.000 0.420 287 V N 1.435 121.472 119.914 0.205 0.000 2.428 287 V HA -0.308 3.812 4.120 -0.000 0.000 0.255 287 V C 2.105 178.230 176.094 0.053 0.000 1.080 287 V CA 1.953 64.331 62.300 0.131 0.000 1.083 287 V CB -0.532 31.320 31.823 0.048 0.000 0.665 287 V HN 0.376 nan 8.190 nan 0.000 0.461 288 E N -0.736 119.476 120.200 0.021 0.000 2.076 288 E HA -0.109 4.241 4.350 -0.000 0.000 0.190 288 E C 2.151 178.753 176.600 0.002 0.000 0.979 288 E CA 0.700 57.103 56.400 0.005 0.000 0.807 288 E CB -0.062 29.633 29.700 -0.008 0.000 0.761 288 E HN 0.369 nan 8.360 nan 0.000 0.454 289 L N 0.949 122.142 121.223 -0.050 0.000 2.131 289 L HA -0.155 4.185 4.340 -0.000 0.000 0.210 289 L C 2.286 179.216 176.870 0.101 0.000 1.092 289 L CA 1.236 56.021 54.840 -0.092 0.000 0.759 289 L CB -0.757 41.046 42.059 -0.425 0.000 0.903 289 L HN 0.148 nan 8.230 nan 0.000 0.435 290 L N -1.022 120.271 121.223 0.117 0.000 2.353 290 L HA -0.198 4.141 4.340 -0.000 0.000 0.220 290 L C 2.274 179.313 176.870 0.282 0.000 1.133 290 L CA 0.429 55.411 54.840 0.237 0.000 0.798 290 L CB -0.408 41.703 42.059 0.086 0.000 0.922 290 L HN 0.227 nan 8.230 nan 0.000 0.445 291 E N 0.624 120.918 120.200 0.157 0.000 2.265 291 E HA -0.175 4.175 4.350 -0.000 0.000 0.196 291 E C 2.035 178.700 176.600 0.109 0.000 0.996 291 E CA 0.939 57.402 56.400 0.104 0.000 0.832 291 E CB -0.142 29.588 29.700 0.051 0.000 0.756 291 E HN 0.461 nan 8.360 nan 0.000 0.491 292 L N -0.391 120.911 121.223 0.132 0.000 2.478 292 L HA 0.045 4.385 4.340 -0.000 0.000 0.223 292 L C 0.206 177.021 176.870 -0.093 0.000 1.140 292 L CA -0.081 54.733 54.840 -0.043 0.000 0.842 292 L CB -0.032 41.919 42.059 -0.181 0.000 0.953 292 L HN 0.032 nan 8.230 nan 0.000 0.452 293 F N -0.775 119.225 119.950 0.083 0.000 2.461 293 F HA 0.267 4.794 4.527 -0.000 0.000 0.337 293 F C 1.195 177.044 175.800 0.082 0.000 1.079 293 F CA -1.088 56.975 58.000 0.106 0.000 1.032 293 F CB 0.585 39.660 39.000 0.125 0.000 1.327 293 F HN -0.240 nan 8.300 nan 0.000 0.491 294 T N -2.589 112.151 114.554 0.309 0.000 2.913 294 T HA 0.140 4.489 4.350 -0.000 0.000 0.297 294 T C 1.002 175.794 174.700 0.154 0.000 1.029 294 T CA -0.318 61.896 62.100 0.189 0.000 1.104 294 T CB 0.927 69.906 68.868 0.186 0.000 0.964 294 T HN 0.611 nan 8.240 nan 0.000 0.532 295 T N 3.357 117.970 114.554 0.099 0.000 2.620 295 T HA -0.116 4.234 4.350 -0.000 0.000 0.267 295 T C -0.785 173.931 174.700 0.027 0.000 1.044 295 T CA 1.880 64.013 62.100 0.056 0.000 1.161 295 T CB -1.620 67.272 68.868 0.040 0.000 0.862 295 T HN 0.582 nan 8.240 nan 0.000 0.438 296 P HA 0.016 nan 4.420 nan 0.000 0.216 296 P C 1.697 178.937 177.300 -0.100 0.000 1.153 296 P CA 0.565 63.677 63.100 0.020 0.000 0.848 296 P CB -0.248 31.529 31.700 0.128 0.000 0.787 297 V N -0.008 119.936 119.914 0.049 0.000 2.453 297 V HA -0.188 3.932 4.120 -0.000 0.000 0.247 297 V C 2.705 178.695 176.094 -0.173 0.000 1.048 297 V CA 1.628 63.942 62.300 0.023 0.000 1.049 297 V CB -1.039 30.955 31.823 0.285 0.000 0.672 297 V HN 0.049 nan 8.190 nan 0.000 0.457 298 R N 0.616 121.088 120.500 -0.046 0.000 2.088 298 R HA -0.217 4.123 4.340 -0.000 0.000 0.232 298 R C 2.343 178.557 176.300 -0.144 0.000 1.136 298 R CA 2.307 58.381 56.100 -0.043 0.000 0.926 298 R CB -0.330 29.994 30.300 0.041 0.000 0.837 298 R HN 0.602 nan 8.270 nan 0.000 0.429 299 E N -0.816 119.281 120.200 -0.172 0.000 2.118 299 E HA -0.154 4.195 4.350 -0.000 0.000 0.195 299 E C 1.925 178.324 176.600 -0.334 0.000 0.992 299 E CA 1.078 57.359 56.400 -0.198 0.000 0.804 299 E CB -0.243 29.366 29.700 -0.152 0.000 0.741 299 E HN 0.644 nan 8.360 nan 0.000 0.458 300 G N 1.650 110.053 108.800 -0.660 0.000 2.459 300 G HA2 -0.246 3.714 3.960 -0.000 0.000 0.217 300 G HA3 -0.246 3.714 3.960 -0.000 0.000 0.217 300 G C 1.519 176.034 174.900 -0.641 0.000 1.183 300 G CA 0.286 44.629 45.100 -1.261 0.000 0.776 300 G HN 0.122 nan 8.290 nan 0.000 0.552 301 L N 0.052 121.044 121.223 -0.384 0.000 2.109 301 L HA 0.071 4.410 4.340 -0.000 0.000 0.207 301 L C 3.122 180.093 176.870 0.170 0.000 1.086 301 L CA 0.906 55.810 54.840 0.106 0.000 0.760 301 L CB -0.390 41.768 42.059 0.164 0.000 0.910 301 L HN 0.249 nan 8.230 nan 0.000 0.437 302 R N -0.900 119.580 120.500 -0.032 0.000 2.105 302 R HA -0.157 4.183 4.340 -0.000 0.000 0.239 302 R C 1.970 178.130 176.300 -0.233 0.000 1.135 302 R CA 1.865 57.847 56.100 -0.197 0.000 0.967 302 R CB -0.475 29.718 30.300 -0.178 0.000 0.861 302 R HN 0.364 nan 8.270 nan 0.000 0.442 303 T N 0.262 114.730 114.554 -0.143 0.000 2.849 303 T HA -0.158 4.192 4.350 -0.000 0.000 0.270 303 T C 1.795 176.464 174.700 -0.052 0.000 1.066 303 T CA 1.028 63.064 62.100 -0.106 0.000 1.130 303 T CB -0.318 68.501 68.868 -0.083 0.000 0.864 303 T HN 0.377 nan 8.240 nan 0.000 0.481 304 C N 1.817 121.146 119.300 0.047 0.000 2.485 304 C HA 0.001 4.460 4.460 -0.000 0.000 0.283 304 C C 2.578 177.637 174.990 0.116 0.000 1.478 304 C CA 0.096 59.228 59.018 0.191 0.000 1.741 304 C CB -1.483 26.511 27.740 0.423 0.000 1.675 304 C HN 0.615 nan 8.230 nan 0.000 0.573 305 Q N 0.006 119.657 119.800 -0.250 0.000 2.187 305 Q HA -0.043 4.297 4.340 -0.000 0.000 0.199 305 Q C 2.256 178.167 176.000 -0.147 0.000 0.957 305 Q CA 1.019 56.560 55.803 -0.437 0.000 0.857 305 Q CB 0.026 28.299 28.738 -0.774 0.000 0.929 305 Q HN 0.686 nan 8.270 nan 0.000 0.453 306 R N 0.099 120.537 120.500 -0.104 0.000 2.167 306 R HA 0.120 4.460 4.340 -0.000 0.000 0.201 306 R C 0.096 176.398 176.300 0.003 0.000 1.024 306 R CA 0.457 56.528 56.100 -0.050 0.000 1.053 306 R CB 0.516 30.774 30.300 -0.070 0.000 0.987 306 R HN 0.067 nan 8.270 nan 0.000 0.493 307 R N -0.609 119.904 120.500 0.022 0.000 2.663 307 R HA 0.358 4.698 4.340 -0.000 0.000 0.267 307 R C -3.227 173.128 176.300 0.092 0.000 1.038 307 R CA -2.156 53.976 56.100 0.054 0.000 0.886 307 R CB 0.060 30.374 30.300 0.024 0.000 1.249 307 R HN -0.265 nan 8.270 nan 0.000 0.463 308 P HA 0.263 nan 4.420 nan 0.000 0.267 308 P C -1.073 176.315 177.300 0.146 0.000 1.209 308 P CA -0.008 63.213 63.100 0.203 0.000 0.763 308 P CB 0.971 32.823 31.700 0.254 0.000 0.816 309 A N 3.240 126.181 122.820 0.201 0.000 2.393 309 A HA 0.732 5.052 4.320 -0.000 0.000 0.306 309 A C -0.381 177.351 177.584 0.247 0.000 1.050 309 A CA -0.490 51.597 52.037 0.083 0.000 0.724 309 A CB 0.517 19.614 19.000 0.162 0.000 1.248 309 A HN 0.562 nan 8.150 nan 0.000 0.424 310 F N -0.208 119.802 119.950 0.101 0.000 3.020 310 F HA 0.237 4.763 4.527 -0.000 0.000 0.392 310 F C 0.968 176.576 175.800 -0.321 0.000 1.018 310 F CA -0.340 57.514 58.000 -0.243 0.000 1.045 310 F CB -0.315 38.558 39.000 -0.212 0.000 1.261 310 F HN 0.372 nan 8.300 nan 0.000 0.549 311 N N 2.321 120.834 118.700 -0.312 0.000 2.192 311 N HA -0.205 4.535 4.740 -0.000 0.000 0.188 311 N C 1.714 177.199 175.510 -0.042 0.000 1.013 311 N CA 2.221 55.201 53.050 -0.117 0.000 0.863 311 N CB -0.703 37.711 38.487 -0.122 0.000 0.990 311 N HN 0.627 nan 8.380 nan 0.000 0.430 312 F N -0.331 119.619 119.950 0.000 0.000 2.333 312 F HA 0.091 4.618 4.527 -0.000 0.000 0.300 312 F C 1.332 177.193 175.800 0.101 0.000 1.083 312 F CA 0.270 58.298 58.000 0.047 0.000 1.395 312 F CB -0.562 38.463 39.000 0.041 0.000 1.056 312 F HN -0.139 nan 8.300 nan 0.000 0.529 313 M N 3.468 122.609 119.600 -0.765 0.000 3.690 313 M HA 0.171 4.651 4.480 -0.000 0.000 0.209 313 M C -0.498 175.742 176.300 -0.100 0.000 1.403 313 M CA -1.167 53.866 55.300 -0.445 0.000 1.621 313 M CB -1.681 30.528 32.600 -0.651 0.000 1.056 313 M HN 0.363 nan 8.290 nan 0.000 0.593 314 D N -1.282 119.140 120.400 0.037 0.000 2.433 314 D HA 0.017 4.657 4.640 -0.000 0.000 0.255 314 D C 0.793 177.228 176.300 0.226 0.000 1.226 314 D CA -0.245 53.819 54.000 0.106 0.000 1.015 314 D CB 0.389 41.256 40.800 0.111 0.000 1.091 314 D HN 0.468 nan 8.370 nan 0.000 0.527 315 E N -0.941 119.413 120.200 0.257 0.000 2.085 315 E HA -0.222 4.128 4.350 -0.000 0.000 0.194 315 E C 1.987 178.853 176.600 0.442 0.000 0.994 315 E CA 1.285 57.906 56.400 0.368 0.000 0.801 315 E CB -0.000 29.849 29.700 0.249 0.000 0.743 315 E HN 0.457 nan 8.360 nan 0.000 0.453 316 M N -0.023 119.766 119.600 0.315 0.000 2.077 316 M HA -0.145 4.335 4.480 -0.000 0.000 0.261 316 M C 2.569 179.034 176.300 0.275 0.000 1.070 316 M CA 1.370 56.839 55.300 0.282 0.000 1.125 316 M CB -0.604 32.122 32.600 0.209 0.000 1.339 316 M HN 0.209 nan 8.290 nan 0.000 0.409 317 A N 0.183 123.170 122.820 0.279 0.000 1.917 317 A HA -0.260 4.060 4.320 -0.000 0.000 0.219 317 A C 2.058 179.853 177.584 0.352 0.000 1.182 317 A CA 1.699 53.918 52.037 0.303 0.000 0.633 317 A CB -1.512 17.681 19.000 0.321 0.000 0.819 317 A HN 0.817 nan 8.150 nan 0.000 0.448 318 W N 0.530 121.939 121.300 0.183 0.000 2.335 318 W HA -0.207 4.453 4.660 -0.000 0.000 0.311 318 W C 2.377 178.985 176.519 0.149 0.000 1.213 318 W CA 1.935 59.387 57.345 0.178 0.000 1.274 318 W CB -0.272 29.303 29.460 0.192 0.000 1.148 318 W HN 0.445 nan 8.180 nan 0.000 0.498 319 A N 1.084 123.931 122.820 0.046 0.000 1.908 319 A HA -0.174 4.146 4.320 -0.000 0.000 0.218 319 A C 2.123 179.635 177.584 -0.121 0.000 1.181 319 A CA 2.914 54.789 52.037 -0.269 0.000 0.627 319 A CB -1.397 17.487 19.000 -0.193 0.000 0.818 319 A HN 0.379 nan 8.150 nan 0.000 0.445 320 A N -1.229 121.639 122.820 0.080 0.000 1.902 320 A HA -0.074 4.246 4.320 -0.000 0.000 0.217 320 A C 2.311 179.975 177.584 0.134 0.000 1.181 320 A CA 2.280 54.411 52.037 0.157 0.000 0.623 320 A CB -1.306 17.806 19.000 0.187 0.000 0.818 320 A HN 0.437 nan 8.150 nan 0.000 0.443 321 T N -1.574 113.061 114.554 0.134 0.000 2.720 321 T HA -0.185 4.165 4.350 -0.000 0.000 0.268 321 T C 1.774 176.439 174.700 -0.058 0.000 1.037 321 T CA 1.724 63.946 62.100 0.203 0.000 1.144 321 T CB -0.444 68.542 68.868 0.198 0.000 0.864 321 T HN 0.511 nan 8.240 nan 0.000 0.444 322 Y N 1.407 121.391 120.300 -0.526 0.000 2.165 322 Y HA -0.242 4.308 4.550 -0.000 0.000 0.286 322 Y C 2.644 178.344 175.900 -0.333 0.000 1.155 322 Y CA 1.504 59.244 58.100 -0.600 0.000 1.164 322 Y CB -0.313 37.645 38.460 -0.838 0.000 0.978 322 Y HN 0.363 nan 8.280 nan 0.000 0.513 323 H N -1.556 117.528 119.070 0.022 0.000 2.321 323 H HA -0.142 4.414 4.556 -0.000 0.000 0.300 323 H C 2.499 177.787 175.328 -0.066 0.000 1.087 323 H CA 1.855 57.893 56.048 -0.017 0.000 1.319 323 H CB -0.691 29.047 29.762 -0.041 0.000 1.379 323 H HN 0.251 nan 8.280 nan 0.000 0.501 324 V N 1.245 121.176 119.914 0.027 0.000 2.407 324 V HA -0.222 3.898 4.120 -0.000 0.000 0.248 324 V C 2.801 178.839 176.094 -0.094 0.000 1.055 324 V CA 1.293 63.525 62.300 -0.113 0.000 1.049 324 V CB -0.609 30.920 31.823 -0.489 0.000 0.662 324 V HN 0.232 nan 8.190 nan 0.000 0.455 325 L N -1.070 120.125 121.223 -0.046 0.000 2.109 325 L HA -0.115 4.225 4.340 -0.000 0.000 0.207 325 L C 2.379 179.310 176.870 0.102 0.000 1.086 325 L CA 1.202 56.033 54.840 -0.015 0.000 0.760 325 L CB -0.426 41.424 42.059 -0.349 0.000 0.910 325 L HN 0.279 nan 8.230 nan 0.000 0.437 326 L N -0.278 120.998 121.223 0.089 0.000 2.042 326 L HA -0.260 4.080 4.340 -0.000 0.000 0.210 326 L C 2.648 179.466 176.870 -0.087 0.000 1.076 326 L CA 1.536 56.384 54.840 0.013 0.000 0.749 326 L CB -0.340 41.708 42.059 -0.019 0.000 0.893 326 L HN 0.365 nan 8.230 nan 0.000 0.432 327 E N -1.034 119.072 120.200 -0.156 0.000 2.051 327 E HA -0.170 4.180 4.350 -0.000 0.000 0.189 327 E C 1.802 178.131 176.600 -0.451 0.000 0.979 327 E CA 0.843 57.039 56.400 -0.340 0.000 0.803 327 E CB 0.180 29.582 29.700 -0.495 0.000 0.761 327 E HN 0.560 nan 8.360 nan 0.000 0.451 328 H N -1.359 117.574 119.070 -0.227 0.000 2.622 328 H HA 0.064 4.620 4.556 -0.000 0.000 0.269 328 H C -0.074 174.658 175.328 -0.994 0.000 0.977 328 H CA -0.228 55.580 56.048 -0.400 0.000 1.179 328 H CB 0.055 29.667 29.762 -0.251 0.000 1.458 328 H HN 0.116 nan 8.280 nan 0.000 0.531 329 F N 3.332 122.729 119.950 -0.921 0.000 2.484 329 F HA 0.140 4.667 4.527 -0.000 0.000 0.360 329 F C 0.062 175.417 175.800 -0.742 0.000 1.101 329 F CA -0.369 56.940 58.000 -1.151 0.000 1.251 329 F CB 0.777 39.612 39.000 -0.276 0.000 1.132 329 F HN -0.142 nan 8.300 nan 0.000 0.570 330 Q N 7.950 126.829 119.800 -1.536 0.000 2.394 330 Q HA 0.321 4.661 4.340 -0.000 0.000 0.259 330 Q C -2.438 173.046 176.000 -0.860 0.000 1.021 330 Q CA -2.216 53.110 55.803 -0.795 0.000 0.805 330 Q CB 1.197 29.730 28.738 -0.342 0.000 1.226 330 Q HN 0.423 nan 8.270 nan 0.000 0.476 331 P HA 0.019 nan 4.420 nan 0.000 0.266 331 P C 0.924 178.158 177.300 -0.111 0.000 1.195 331 P CA 0.856 63.865 63.100 -0.153 0.000 0.768 331 P CB 0.639 32.395 31.700 0.093 0.000 0.838 332 G N 1.665 110.452 108.800 -0.022 0.000 2.284 332 G HA2 -0.239 3.721 3.960 -0.000 0.000 0.247 332 G HA3 -0.239 3.721 3.960 -0.000 0.000 0.247 332 G C 0.198 175.097 174.900 -0.002 0.000 1.012 332 G CA 0.203 45.305 45.100 0.004 0.000 0.618 332 G HN 0.680 nan 8.290 nan 0.000 0.521 333 D N 1.772 122.152 120.400 -0.034 0.000 2.352 333 D HA 0.427 5.067 4.640 -0.000 0.000 0.245 333 D C -0.373 175.963 176.300 0.059 0.000 1.224 333 D CA -1.973 52.048 54.000 0.035 0.000 0.879 333 D CB 1.172 42.047 40.800 0.127 0.000 1.057 333 D HN 0.141 nan 8.370 nan 0.000 0.491 334 P HA -0.144 nan 4.420 nan 0.000 0.217 334 P C 0.785 178.100 177.300 0.024 0.000 1.151 334 P CA 0.965 64.088 63.100 0.039 0.000 0.849 334 P CB 0.373 32.086 31.700 0.021 0.000 0.787 335 D N -1.905 118.480 120.400 -0.024 0.000 2.117 335 D HA -0.144 4.495 4.640 -0.000 0.000 0.198 335 D C 2.025 178.240 176.300 -0.142 0.000 0.982 335 D CA 1.065 54.993 54.000 -0.119 0.000 0.828 335 D CB -0.742 39.936 40.800 -0.205 0.000 0.967 335 D HN 0.285 nan 8.370 nan 0.000 0.464 336 W N 1.941 123.238 121.300 -0.004 0.000 2.358 336 W HA -0.102 4.558 4.660 -0.000 0.000 0.303 336 W C 2.513 179.157 176.519 0.208 0.000 1.208 336 W CA 0.668 58.030 57.345 0.028 0.000 1.274 336 W CB -0.059 29.230 29.460 -0.285 0.000 1.138 336 W HN 0.030 nan 8.180 nan 0.000 0.515 337 E N -0.133 120.292 120.200 0.375 0.000 2.150 337 E HA -0.238 4.112 4.350 -0.000 0.000 0.193 337 E C 1.739 178.491 176.600 0.255 0.000 0.985 337 E CA 1.341 57.980 56.400 0.398 0.000 0.814 337 E CB -0.274 29.572 29.700 0.243 0.000 0.752 337 E HN 0.239 nan 8.360 nan 0.000 0.466 338 E N 1.195 121.477 120.200 0.138 0.000 2.072 338 E HA -0.141 4.209 4.350 -0.000 0.000 0.190 338 E C 1.915 178.548 176.600 0.055 0.000 0.982 338 E CA 0.454 56.894 56.400 0.068 0.000 0.803 338 E CB -0.139 29.541 29.700 -0.034 0.000 0.755 338 E HN 0.050 nan 8.360 nan 0.000 0.453 339 L N 0.442 121.673 121.223 0.014 0.000 2.013 339 L HA -0.136 4.204 4.340 -0.000 0.000 0.212 339 L C 2.376 179.295 176.870 0.081 0.000 1.073 339 L CA 1.645 56.471 54.840 -0.023 0.000 0.753 339 L CB -1.214 40.831 42.059 -0.024 0.000 0.890 339 L HN 0.369 nan 8.230 nan 0.000 0.432 340 L N -1.446 119.898 121.223 0.202 0.000 2.042 340 L HA -0.245 4.095 4.340 -0.000 0.000 0.210 340 L C 2.353 179.308 176.870 0.143 0.000 1.076 340 L CA 1.693 56.589 54.840 0.094 0.000 0.749 340 L CB -0.919 41.111 42.059 -0.047 0.000 0.893 340 L HN 0.278 nan 8.230 nan 0.000 0.432 341 F N 0.253 120.226 119.950 0.038 0.000 2.171 341 F HA -0.171 4.356 4.527 -0.000 0.000 0.300 341 F C 2.272 178.146 175.800 0.124 0.000 1.090 341 F CA 1.804 59.849 58.000 0.076 0.000 1.293 341 F CB -0.199 38.803 39.000 0.003 0.000 1.013 341 F HN 0.056 nan 8.300 nan 0.000 0.486 342 K N -0.590 119.748 120.400 -0.104 0.000 2.166 342 K HA -0.028 4.292 4.320 -0.000 0.000 0.201 342 K C 1.921 178.465 176.600 -0.094 0.000 1.052 342 K CA 0.529 56.689 56.287 -0.211 0.000 0.969 342 K CB -0.264 32.131 32.500 -0.175 0.000 0.761 342 K HN 0.183 nan 8.250 nan 0.000 0.459 343 L N 0.287 121.523 121.223 0.021 0.000 1.989 343 L HA -0.201 4.139 4.340 -0.000 0.000 0.211 343 L C 2.109 179.096 176.870 0.195 0.000 1.071 343 L CA 1.730 56.663 54.840 0.154 0.000 0.749 343 L CB -1.137 41.022 42.059 0.167 0.000 0.890 343 L HN 0.338 nan 8.230 nan 0.000 0.431 344 W N 0.272 121.552 121.300 -0.033 0.000 2.358 344 W HA -0.204 4.456 4.660 -0.000 0.000 0.303 344 W C 2.481 178.747 176.519 -0.422 0.000 1.208 344 W CA 2.119 59.317 57.345 -0.245 0.000 1.274 344 W CB -0.510 28.860 29.460 -0.151 0.000 1.138 344 W HN 0.066 nan 8.180 nan 0.000 0.515 345 T N 0.202 114.487 114.554 -0.449 0.000 2.665 345 T HA -0.303 4.046 4.350 -0.000 0.000 0.268 345 T C 1.796 176.164 174.700 -0.552 0.000 1.035 345 T CA 3.177 64.856 62.100 -0.703 0.000 1.151 345 T CB -0.992 67.473 68.868 -0.672 0.000 0.862 345 T HN 0.424 nan 8.240 nan 0.000 0.438 346 T N 0.806 115.165 114.554 -0.326 0.000 2.746 346 T HA -0.138 4.212 4.350 -0.000 0.000 0.267 346 T C 2.012 176.482 174.700 -0.384 0.000 1.039 346 T CA 1.255 63.208 62.100 -0.246 0.000 1.142 346 T CB -0.329 68.466 68.868 -0.123 0.000 0.866 346 T HN 0.114 nan 8.240 nan 0.000 0.444 347 R N 1.394 121.605 120.500 -0.482 0.000 2.096 347 R HA -0.024 4.316 4.340 -0.000 0.000 0.240 347 R C 2.327 178.253 176.300 -0.624 0.000 1.139 347 R CA 1.609 57.335 56.100 -0.625 0.000 0.952 347 R CB -1.424 28.176 30.300 -1.168 0.000 0.854 347 R HN 0.421 nan 8.270 nan 0.000 0.436 348 V N 0.613 120.037 119.914 -0.818 0.000 2.407 348 V HA -0.207 3.913 4.120 -0.000 0.000 0.248 348 V C 2.312 178.142 176.094 -0.440 0.000 1.055 348 V CA 1.809 63.676 62.300 -0.721 0.000 1.049 348 V CB -0.413 30.742 31.823 -1.114 0.000 0.662 348 V HN 0.270 nan 8.190 nan 0.000 0.455 349 L N 0.155 121.073 121.223 -0.508 0.000 2.072 349 L HA -0.128 4.212 4.340 -0.000 0.000 0.205 349 L C 2.552 179.112 176.870 -0.516 0.000 1.079 349 L CA 1.560 56.047 54.840 -0.588 0.000 0.752 349 L CB -0.783 40.703 42.059 -0.956 0.000 0.906 349 L HN 0.418 nan 8.230 nan 0.000 0.436 350 N N 0.389 118.901 118.700 -0.313 0.000 2.043 350 N HA -0.307 4.433 4.740 -0.000 0.000 0.193 350 N C 2.097 177.504 175.510 -0.172 0.000 1.037 350 N CA 1.983 54.965 53.050 -0.114 0.000 0.851 350 N CB -0.234 38.187 38.487 -0.109 0.000 1.027 350 N HN 0.362 nan 8.380 nan 0.000 0.422 351 Y N 1.697 121.806 120.300 -0.318 0.000 2.207 351 Y HA -0.152 4.398 4.550 -0.000 0.000 0.287 351 Y C 2.354 178.077 175.900 -0.294 0.000 1.156 351 Y CA 2.203 60.097 58.100 -0.343 0.000 1.182 351 Y CB -0.761 37.490 38.460 -0.349 0.000 0.979 351 Y HN 0.031 nan 8.280 nan 0.000 0.521 352 T N 0.727 115.039 114.554 -0.402 0.000 2.777 352 T HA -0.127 4.223 4.350 -0.000 0.000 0.266 352 T C 1.686 176.147 174.700 -0.398 0.000 1.040 352 T CA 1.756 63.596 62.100 -0.434 0.000 1.141 352 T CB -0.127 68.622 68.868 -0.200 0.000 0.868 352 T HN 0.273 nan 8.240 nan 0.000 0.444 353 M N 1.351 120.765 119.600 -0.311 0.000 2.466 353 M HA 0.128 4.608 4.480 -0.000 0.000 0.265 353 M C 2.514 178.698 176.300 -0.193 0.000 1.122 353 M CA 1.095 56.272 55.300 -0.204 0.000 1.157 353 M CB -1.496 31.061 32.600 -0.071 0.000 1.352 353 M HN 0.415 nan 8.290 nan 0.000 0.464 354 T N -3.204 111.215 114.554 -0.224 0.000 3.037 354 T HA 0.221 4.571 4.350 -0.000 0.000 0.251 354 T C 1.548 176.065 174.700 -0.306 0.000 1.079 354 T CA 0.284 62.256 62.100 -0.213 0.000 1.067 354 T CB 0.071 68.849 68.868 -0.150 0.000 0.948 354 T HN 0.068 nan 8.240 nan 0.000 0.496 355 V N 0.804 120.452 119.914 -0.444 0.000 3.134 355 V HA 0.466 4.586 4.120 -0.000 0.000 0.222 355 V C 2.995 178.811 176.094 -0.463 0.000 1.247 355 V CA 0.542 62.569 62.300 -0.456 0.000 1.281 355 V CB -0.754 30.654 31.823 -0.691 0.000 1.169 355 V HN 0.442 nan 8.190 nan 0.000 0.512 356 A N 0.056 122.413 122.820 -0.772 0.000 1.940 356 A HA -0.198 4.122 4.320 -0.000 0.000 0.219 356 A C 2.054 179.458 177.584 -0.301 0.000 1.176 356 A CA 2.001 53.706 52.037 -0.554 0.000 0.631 356 A CB -0.572 18.039 19.000 -0.649 0.000 0.814 356 A HN 0.397 nan 8.150 nan 0.000 0.446 357 L N -0.248 120.795 121.223 -0.301 0.000 2.275 357 L HA -0.027 4.313 4.340 -0.000 0.000 0.215 357 L C 2.213 178.966 176.870 -0.196 0.000 1.119 357 L CA 1.438 56.150 54.840 -0.213 0.000 0.790 357 L CB -0.601 41.335 42.059 -0.205 0.000 0.919 357 L HN 0.346 nan 8.230 nan 0.000 0.443 358 R N -0.424 119.924 120.500 -0.252 0.000 2.307 358 R HA 0.292 4.632 4.340 -0.000 0.000 0.199 358 R C 0.513 176.726 176.300 -0.146 0.000 1.000 358 R CA 0.545 56.471 56.100 -0.289 0.000 1.023 358 R CB -0.181 29.742 30.300 -0.629 0.000 0.908 358 R HN 0.444 nan 8.270 nan 0.000 0.473 359 G N -0.932 107.826 108.800 -0.070 0.000 2.484 359 G HA2 -0.261 3.699 3.960 -0.000 0.000 0.685 359 G HA3 -0.261 3.699 3.960 -0.000 0.000 0.685 359 G C -0.293 174.656 174.900 0.081 0.000 1.294 359 G CA -0.550 44.565 45.100 0.025 0.000 0.879 359 G HN 0.089 nan 8.290 nan 0.000 0.646 360 Y N 0.610 120.925 120.300 0.024 0.000 2.069 360 Y HA -0.207 4.343 4.550 -0.000 0.000 0.278 360 Y C 2.527 178.468 175.900 0.068 0.000 1.175 360 Y CA 3.025 61.150 58.100 0.042 0.000 1.134 360 Y CB 0.091 38.574 38.460 0.038 0.000 0.965 360 Y HN 0.585 nan 8.280 nan 0.000 0.498 361 D N -1.358 119.140 120.400 0.164 0.000 2.117 361 D HA -0.210 4.430 4.640 -0.000 0.000 0.198 361 D C 1.944 178.257 176.300 0.022 0.000 0.982 361 D CA 1.499 55.560 54.000 0.101 0.000 0.828 361 D CB -0.908 39.984 40.800 0.153 0.000 0.967 361 D HN 0.500 nan 8.370 nan 0.000 0.464 362 Y N 1.674 121.953 120.300 -0.035 0.000 2.224 362 Y HA -0.191 4.359 4.550 -0.000 0.000 0.289 362 Y C 2.223 178.088 175.900 -0.058 0.000 1.146 362 Y CA 1.672 59.748 58.100 -0.039 0.000 1.182 362 Y CB -0.177 38.251 38.460 -0.054 0.000 0.983 362 Y HN -0.051 nan 8.280 nan 0.000 0.524 363 A N 0.018 122.846 122.820 0.014 0.000 1.841 363 A HA -0.215 4.105 4.320 -0.000 0.000 0.214 363 A C 2.207 179.704 177.584 -0.144 0.000 1.195 363 A CA 1.644 53.649 52.037 -0.052 0.000 0.611 363 A CB -1.036 17.888 19.000 -0.128 0.000 0.835 363 A HN 0.575 nan 8.150 nan 0.000 0.443 364 Q N -0.691 118.936 119.800 -0.290 0.000 2.118 364 Q HA -0.329 4.011 4.340 -0.000 0.000 0.211 364 Q C 2.348 178.297 176.000 -0.084 0.000 0.998 364 Q CA 2.459 58.119 55.803 -0.238 0.000 0.872 364 Q CB -0.205 28.407 28.738 -0.210 0.000 0.925 364 Q HN 0.816 nan 8.270 nan 0.000 0.414 365 Q N -1.094 118.650 119.800 -0.094 0.000 2.046 365 Q HA -0.205 4.135 4.340 -0.000 0.000 0.200 365 Q C 1.847 177.738 176.000 -0.182 0.000 0.975 365 Q CA 1.571 57.318 55.803 -0.092 0.000 0.836 365 Q CB -0.336 28.311 28.738 -0.153 0.000 0.896 365 Q HN 0.464 nan 8.270 nan 0.000 0.428 366 Y N 1.459 121.528 120.300 -0.384 0.000 2.114 366 Y HA -0.299 4.251 4.550 -0.000 0.000 0.282 366 Y C 1.785 177.477 175.900 -0.346 0.000 1.165 366 Y CA 1.624 59.505 58.100 -0.365 0.000 1.148 366 Y CB -0.216 38.046 38.460 -0.330 0.000 0.972 366 Y HN 0.021 nan 8.280 nan 0.000 0.504 367 L N -1.355 119.586 121.223 -0.470 0.000 2.017 367 L HA -0.262 4.078 4.340 -0.000 0.000 0.208 367 L C 2.260 178.718 176.870 -0.686 0.000 1.073 367 L CA 1.594 55.923 54.840 -0.851 0.000 0.745 367 L CB -0.867 40.193 42.059 -1.664 0.000 0.894 367 L HN 0.250 nan 8.230 nan 0.000 0.432 368 Y N -0.087 119.987 120.300 -0.377 0.000 2.224 368 Y HA -0.203 4.346 4.550 -0.000 0.000 0.289 368 Y C 2.752 178.461 175.900 -0.319 0.000 1.146 368 Y CA 1.196 59.170 58.100 -0.210 0.000 1.182 368 Y CB -0.341 38.044 38.460 -0.125 0.000 0.983 368 Y HN 0.027 nan 8.280 nan 0.000 0.524 369 R N -0.631 119.707 120.500 -0.270 0.000 2.115 369 R HA -0.136 4.204 4.340 -0.000 0.000 0.226 369 R C 2.347 178.360 176.300 -0.478 0.000 1.100 369 R CA 1.177 57.074 56.100 -0.339 0.000 0.980 369 R CB -0.278 29.826 30.300 -0.328 0.000 0.875 369 R HN 0.391 nan 8.270 nan 0.000 0.445 370 M N 0.846 120.035 119.600 -0.685 0.000 2.059 370 M HA -0.206 4.274 4.480 -0.000 0.000 0.259 370 M C 1.953 177.842 176.300 -0.685 0.000 1.072 370 M CA 1.787 56.591 55.300 -0.827 0.000 1.117 370 M CB -0.111 31.925 32.600 -0.941 0.000 1.320 370 M HN 0.172 nan 8.290 nan 0.000 0.408 371 L N -0.165 120.825 121.223 -0.387 0.000 2.021 371 L HA -0.214 4.126 4.340 -0.000 0.000 0.215 371 L C 2.640 179.375 176.870 -0.224 0.000 1.074 371 L CA 1.700 56.419 54.840 -0.202 0.000 0.760 371 L CB -1.658 40.309 42.059 -0.155 0.000 0.889 371 L HN 0.534 nan 8.230 nan 0.000 0.433 372 G N -0.393 108.229 108.800 -0.296 0.000 2.440 372 G HA2 -0.261 3.699 3.960 -0.000 0.000 0.218 372 G HA3 -0.261 3.699 3.960 -0.000 0.000 0.218 372 G C 1.753 176.464 174.900 -0.315 0.000 1.154 372 G CA 0.619 45.529 45.100 -0.315 0.000 0.767 372 G HN 0.318 nan 8.290 nan 0.000 0.552 373 R N -1.228 119.091 120.500 -0.300 0.000 2.115 373 R HA 0.018 4.358 4.340 -0.000 0.000 0.226 373 R C 2.339 178.663 176.300 0.039 0.000 1.100 373 R CA 0.841 56.833 56.100 -0.180 0.000 0.980 373 R CB -0.310 29.869 30.300 -0.201 0.000 0.875 373 R HN 0.370 nan 8.270 nan 0.000 0.445 374 Y N 0.906 121.175 120.300 -0.052 0.000 2.163 374 Y HA -0.091 4.459 4.550 -0.000 0.000 0.288 374 Y C 2.333 178.244 175.900 0.018 0.000 1.136 374 Y CA 0.784 58.874 58.100 -0.016 0.000 1.147 374 Y CB -0.549 37.880 38.460 -0.051 0.000 0.987 374 Y HN -0.055 nan 8.280 nan 0.000 0.509 375 R N -1.098 119.512 120.500 0.182 0.000 2.094 375 R HA -0.250 4.090 4.340 -0.000 0.000 0.239 375 R C 2.116 178.570 176.300 0.256 0.000 1.137 375 R CA 1.992 58.192 56.100 0.167 0.000 0.943 375 R CB -0.683 29.707 30.300 0.150 0.000 0.850 375 R HN 0.282 nan 8.270 nan 0.000 0.433 376 Y N 0.859 121.178 120.300 0.031 0.000 2.181 376 Y HA -0.226 4.324 4.550 -0.000 0.000 0.288 376 Y C 2.504 178.430 175.900 0.043 0.000 1.146 376 Y CA 1.060 59.177 58.100 0.029 0.000 1.164 376 Y CB -0.815 37.664 38.460 0.032 0.000 0.982 376 Y HN 0.213 nan 8.280 nan 0.000 0.515 377 Q N -0.471 119.474 119.800 0.240 0.000 2.124 377 Q HA -0.152 4.188 4.340 -0.000 0.000 0.202 377 Q C 2.274 178.345 176.000 0.119 0.000 0.977 377 Q CA 1.375 57.280 55.803 0.169 0.000 0.850 377 Q CB -0.111 28.742 28.738 0.191 0.000 0.901 377 Q HN 0.444 nan 8.270 nan 0.000 0.429 378 A N 0.247 123.134 122.820 0.111 0.000 1.970 378 A HA 0.035 4.355 4.320 -0.000 0.000 0.216 378 A C 2.170 179.790 177.584 0.060 0.000 1.170 378 A CA 1.215 53.293 52.037 0.069 0.000 0.645 378 A CB -0.536 18.492 19.000 0.047 0.000 0.816 378 A HN 0.482 nan 8.150 nan 0.000 0.447 379 A N 0.086 122.940 122.820 0.055 0.000 1.930 379 A HA 0.010 4.330 4.320 -0.000 0.000 0.217 379 A C 2.062 179.688 177.584 0.071 0.000 1.175 379 A CA 1.333 53.412 52.037 0.070 0.000 0.627 379 A CB -0.564 18.424 19.000 -0.020 0.000 0.815 379 A HN 0.465 nan 8.150 nan 0.000 0.443 380 L N -1.321 119.929 121.223 0.045 0.000 2.201 380 L HA -0.091 4.249 4.340 -0.000 0.000 0.212 380 L C 1.123 178.012 176.870 0.032 0.000 1.105 380 L CA 0.534 55.395 54.840 0.034 0.000 0.775 380 L CB -0.861 41.220 42.059 0.037 0.000 0.913 380 L HN 0.404 nan 8.230 nan 0.000 0.440 381 E N 0.000 120.219 120.200 0.031 0.000 2.725 381 E HA 0.000 4.350 4.350 -0.000 0.000 0.291 381 E CA 0.000 56.404 56.400 0.007 0.000 0.976 381 E CB 0.000 29.701 29.700 0.002 0.000 0.812 381 E HN 0.000 nan 8.360 nan 0.000 0.440