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 3ihg_1_B DATA FIRST_RESID 1 DATA SEQUENCE MNDHEVDVLV VGAGLGGLST AMFLARQGVR VLVVERRPGL SPYPRAAGQN DATA SEQUENCE PRTMELLRIG GVADEVVRAD DIRGTQGDFV IRLAESVRGE ILRTVSESFD DATA SEQUENCE DMVAATEPCT PAGWAMLSQD KLEPILLAQA RKHGGAIRFG TRLLSFRQHD DATA SEQUENCE DDAGAGVTAR LAGPDGEYDL RAGYLVGADG NRSLVRESLG IGRYGHGTLT DATA SEQUENCE HMVGVIFDAD LSGIMEPGTT GWYYLHHPEF KGTFGPTDRP DRHTLFVEYD DATA SEQUENCE PDEGERPEDF TPQRCVELIG LALDAPEVKP ELVDIQGWEM AARIAERWRE DATA SEQUENCE GRVFLAGDAA KVTPPTGGMS GNAAVADGFD LAWKLAAVLQ GQAGAGLLDT DATA SEQUENCE YEDERKVAAE LVVAEALAIY AQRMAPHMAE VWDKSVGYPE TLLGFRYRSS DATA SEQUENCE AVLATDDDPA RVENPLTPSG RPGFRGPHVL VSRHGERLST VDLFGDGWTL DATA SEQUENCE LAGELGADWV AAAEAVSAEL GVPVRAYRVG AGLTDPESAV SERYGIGKAG DATA SEQUENCE ASLVRPDGIV AWRTDEAAAD AAQTLEGVLR RVLDR 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 1 M HA 0.000 nan 4.480 nan 0.000 0.227 1 M C 0.000 176.260 176.300 -0.067 0.000 1.140 1 M CA 0.000 55.270 55.300 -0.051 0.000 0.988 1 M CB 0.000 32.567 32.600 -0.055 0.000 1.302 2 N N 1.561 120.219 118.700 -0.070 0.000 2.513 2 N HA 0.290 5.030 4.740 -0.001 0.000 0.268 2 N C -1.098 174.341 175.510 -0.119 0.000 1.180 2 N CA -0.147 52.861 53.050 -0.071 0.000 0.948 2 N CB 0.483 38.942 38.487 -0.048 0.000 1.083 2 N HN 0.697 nan 8.380 nan 0.000 0.455 3 D N 0.872 121.211 120.400 -0.101 0.000 2.455 3 D HA -0.045 4.595 4.640 -0.001 0.000 0.241 3 D C -0.344 175.897 176.300 -0.098 0.000 1.138 3 D CA 0.092 54.013 54.000 -0.133 0.000 0.877 3 D CB 0.335 41.099 40.800 -0.061 0.000 1.187 3 D HN 0.431 nan 8.370 nan 0.000 0.451 4 H N 1.777 120.834 119.070 -0.023 0.000 2.998 4 H HA -0.004 4.552 4.556 -0.001 0.000 0.353 4 H C 1.038 176.363 175.328 -0.005 0.000 1.099 4 H CA 0.301 56.337 56.048 -0.019 0.000 1.393 4 H CB 0.742 30.495 29.762 -0.016 0.000 1.343 4 H HN 0.548 nan 8.280 nan 0.000 0.609 5 E N 0.905 121.191 120.200 0.144 0.000 2.250 5 E HA 0.081 4.431 4.350 -0.001 0.000 0.192 5 E C -0.199 176.445 176.600 0.073 0.000 0.986 5 E CA 0.369 56.817 56.400 0.080 0.000 0.849 5 E CB 0.824 30.564 29.700 0.065 0.000 0.797 5 E HN 0.162 nan 8.360 nan 0.000 0.482 6 V N 0.577 120.541 119.914 0.084 0.000 3.012 6 V HA 0.048 4.168 4.120 -0.001 0.000 0.307 6 V C -0.723 175.409 176.094 0.062 0.000 1.166 6 V CA -0.580 61.756 62.300 0.059 0.000 0.974 6 V CB 2.304 34.148 31.823 0.036 0.000 1.040 6 V HN -0.083 nan 8.190 nan 0.000 0.428 7 D N 1.840 122.281 120.400 0.069 0.000 2.162 7 D HA 0.112 4.752 4.640 -0.001 0.000 0.205 7 D C 0.160 176.518 176.300 0.097 0.000 0.964 7 D CA 1.429 55.490 54.000 0.101 0.000 0.847 7 D CB 0.583 41.448 40.800 0.108 0.000 0.988 7 D HN 0.280 nan 8.370 nan 0.000 0.480 8 V N 1.555 121.499 119.914 0.051 0.000 2.638 8 V HA 0.281 4.401 4.120 -0.001 0.000 0.306 8 V C -0.850 175.243 176.094 -0.002 0.000 1.052 8 V CA -0.933 61.388 62.300 0.036 0.000 0.885 8 V CB 2.700 34.510 31.823 -0.023 0.000 0.999 8 V HN -0.079 nan 8.190 nan 0.000 0.424 9 L N 6.266 127.481 121.223 -0.012 0.000 2.287 9 L HA 0.698 5.038 4.340 -0.001 0.000 0.287 9 L C -0.517 176.322 176.870 -0.052 0.000 1.022 9 L CA -0.010 54.810 54.840 -0.034 0.000 0.814 9 L CB 1.609 43.642 42.059 -0.042 0.000 1.217 9 L HN 0.457 nan 8.230 nan 0.000 0.420 10 V N 6.021 125.899 119.914 -0.059 0.000 2.417 10 V HA 0.483 4.602 4.120 -0.001 0.000 0.291 10 V C -0.391 175.660 176.094 -0.072 0.000 1.024 10 V CA -0.694 61.565 62.300 -0.067 0.000 0.861 10 V CB 1.849 33.631 31.823 -0.068 0.000 0.985 10 V HN 0.478 nan 8.190 nan 0.000 0.436 11 V N 4.282 124.154 119.914 -0.070 0.000 2.334 11 V HA 0.908 5.027 4.120 -0.001 0.000 0.281 11 V C 0.501 176.561 176.094 -0.057 0.000 1.016 11 V CA 0.255 62.516 62.300 -0.066 0.000 0.832 11 V CB 0.694 32.477 31.823 -0.067 0.000 0.999 11 V HN 1.294 nan 8.190 nan 0.000 0.439 12 G N 4.046 112.810 108.800 -0.061 0.000 2.770 12 G HA2 0.364 4.323 3.960 -0.001 0.000 0.686 12 G HA3 0.364 4.323 3.960 -0.001 0.000 0.686 12 G C -0.235 174.628 174.900 -0.062 0.000 1.180 12 G CA -0.176 44.894 45.100 -0.050 0.000 0.767 12 G HN 1.526 nan 8.290 nan 0.000 0.646 13 A N 1.105 123.895 122.820 -0.050 0.000 2.643 13 A HA 0.800 5.120 4.320 -0.001 0.000 0.295 13 A C 1.299 178.881 177.584 -0.003 0.000 1.065 13 A CA 1.150 53.158 52.037 -0.048 0.000 0.986 13 A CB -0.135 18.816 19.000 -0.083 0.000 1.212 13 A HN 2.195 nan 8.150 nan 0.000 0.516 14 G N -0.838 107.959 108.800 -0.004 0.000 2.489 14 G HA2 0.383 4.343 3.960 -0.001 0.000 0.271 14 G HA3 0.383 4.343 3.960 -0.001 0.000 0.271 14 G C 0.849 175.757 174.900 0.013 0.000 1.427 14 G CA -0.469 44.635 45.100 0.008 0.000 1.057 14 G HN 0.230 nan 8.290 nan 0.000 0.532 15 L N 0.171 121.408 121.223 0.022 0.000 2.313 15 L HA 0.085 4.424 4.340 -0.001 0.000 0.214 15 L C 2.960 179.857 176.870 0.044 0.000 1.119 15 L CA 0.875 55.736 54.840 0.035 0.000 0.809 15 L CB -0.278 41.806 42.059 0.041 0.000 0.933 15 L HN 0.671 nan 8.230 nan 0.000 0.449 16 G N -0.349 108.471 108.800 0.033 0.000 2.394 16 G HA2 -0.161 3.799 3.960 -0.001 0.000 0.214 16 G HA3 -0.161 3.799 3.960 -0.001 0.000 0.214 16 G C 1.579 176.495 174.900 0.027 0.000 1.176 16 G CA 0.650 45.775 45.100 0.041 0.000 0.786 16 G HN 0.443 nan 8.290 nan 0.000 0.533 17 G N 0.858 109.658 108.800 0.001 0.000 2.421 17 G HA2 -0.156 3.804 3.960 -0.001 0.000 0.216 17 G HA3 -0.156 3.804 3.960 -0.001 0.000 0.216 17 G C 1.813 176.703 174.900 -0.017 0.000 1.171 17 G CA 0.730 45.818 45.100 -0.020 0.000 0.775 17 G HN 0.401 nan 8.290 nan 0.000 0.543 18 L N 0.365 121.582 121.223 -0.009 0.000 2.109 18 L HA -0.042 4.298 4.340 -0.001 0.000 0.207 18 L C 3.119 179.981 176.870 -0.013 0.000 1.086 18 L CA 1.057 55.886 54.840 -0.019 0.000 0.760 18 L CB -0.390 41.661 42.059 -0.013 0.000 0.910 18 L HN 0.353 nan 8.230 nan 0.000 0.437 19 S N -0.469 115.257 115.700 0.044 0.000 2.365 19 S HA -0.241 4.229 4.470 -0.001 0.000 0.221 19 S C 2.005 176.715 174.600 0.183 0.000 1.037 19 S CA 2.293 60.579 58.200 0.143 0.000 1.060 19 S CB -0.307 63.049 63.200 0.260 0.000 0.974 19 S HN 0.451 nan 8.310 nan 0.000 0.427 20 T N 2.591 117.212 114.554 0.112 0.000 2.597 20 T HA -0.200 4.150 4.350 -0.001 0.000 0.267 20 T C 2.030 176.734 174.700 0.006 0.000 1.053 20 T CA 1.862 63.984 62.100 0.038 0.000 1.165 20 T CB -1.162 67.675 68.868 -0.052 0.000 0.863 20 T HN 0.594 nan 8.240 nan 0.000 0.427 21 A N 1.596 124.400 122.820 -0.027 0.000 1.884 21 A HA -0.215 4.105 4.320 -0.001 0.000 0.219 21 A C 2.373 179.918 177.584 -0.064 0.000 1.197 21 A CA 2.491 54.500 52.037 -0.047 0.000 0.637 21 A CB -0.967 18.001 19.000 -0.054 0.000 0.827 21 A HN 0.577 nan 8.150 nan 0.000 0.450 22 M N -1.656 117.874 119.600 -0.117 0.000 2.073 22 M HA -0.185 4.295 4.480 -0.001 0.000 0.258 22 M C 1.870 178.008 176.300 -0.270 0.000 1.070 22 M CA 2.303 57.461 55.300 -0.236 0.000 1.103 22 M CB -0.295 32.057 32.600 -0.413 0.000 1.321 22 M HN 0.354 nan 8.290 nan 0.000 0.405 23 F N 0.241 120.143 119.950 -0.080 0.000 2.325 23 F HA -0.066 4.461 4.527 -0.001 0.000 0.299 23 F C 1.953 177.660 175.800 -0.156 0.000 1.090 23 F CA 0.967 58.882 58.000 -0.143 0.000 1.392 23 F CB -0.595 38.276 39.000 -0.215 0.000 1.053 23 F HN 0.144 nan 8.300 nan 0.000 0.521 24 L N -0.685 120.548 121.223 0.015 0.000 2.109 24 L HA -0.117 4.222 4.340 -0.001 0.000 0.207 24 L C 2.652 179.506 176.870 -0.027 0.000 1.086 24 L CA 1.026 55.844 54.840 -0.037 0.000 0.760 24 L CB -0.800 41.219 42.059 -0.067 0.000 0.910 24 L HN 0.124 nan 8.230 nan 0.000 0.437 25 A N -0.167 122.638 122.820 -0.026 0.000 1.930 25 A HA -0.170 4.149 4.320 -0.001 0.000 0.217 25 A C 2.330 179.918 177.584 0.005 0.000 1.175 25 A CA 1.146 53.185 52.037 0.005 0.000 0.627 25 A CB -0.430 18.583 19.000 0.021 0.000 0.815 25 A HN 0.274 nan 8.150 nan 0.000 0.443 26 R N -0.711 119.729 120.500 -0.100 0.000 2.241 26 R HA -0.067 4.273 4.340 -0.001 0.000 0.224 26 R C 1.156 177.400 176.300 -0.094 0.000 1.101 26 R CA 1.012 56.958 56.100 -0.257 0.000 0.995 26 R CB 0.007 30.117 30.300 -0.318 0.000 0.870 26 R HN 0.476 nan 8.270 nan 0.000 0.463 27 Q N -1.098 118.685 119.800 -0.029 0.000 2.282 27 Q HA 0.135 4.475 4.340 -0.001 0.000 0.206 27 Q C 0.795 176.808 176.000 0.021 0.000 0.878 27 Q CA 0.579 56.383 55.803 0.002 0.000 0.944 27 Q CB 1.584 30.322 28.738 0.001 0.000 1.100 27 Q HN 0.485 nan 8.270 nan 0.000 0.509 28 G N 0.517 109.335 108.800 0.031 0.000 2.132 28 G HA2 -0.229 3.730 3.960 -0.001 0.000 0.234 28 G HA3 -0.229 3.730 3.960 -0.001 0.000 0.234 28 G C 0.061 174.979 174.900 0.030 0.000 0.989 28 G CA 0.195 45.319 45.100 0.040 0.000 0.676 28 G HN 0.200 nan 8.290 nan 0.000 0.522 29 V N 1.089 121.014 119.914 0.018 0.000 2.498 29 V HA 0.374 4.494 4.120 -0.001 0.000 0.279 29 V C 1.179 177.283 176.094 0.017 0.000 1.048 29 V CA -0.557 61.750 62.300 0.012 0.000 0.967 29 V CB 1.251 33.065 31.823 -0.015 0.000 0.988 29 V HN 0.381 nan 8.190 nan 0.000 0.473 30 R N 3.393 123.909 120.500 0.026 0.000 2.291 30 R HA 0.436 4.775 4.340 -0.001 0.000 0.333 30 R C -0.578 175.732 176.300 0.017 0.000 1.082 30 R CA -0.031 56.084 56.100 0.025 0.000 0.948 30 R CB 0.921 31.243 30.300 0.036 0.000 1.009 30 R HN 0.489 nan 8.270 nan 0.000 0.460 31 V N 5.133 125.050 119.914 0.003 0.000 2.823 31 V HA 0.588 4.708 4.120 -0.001 0.000 0.312 31 V C -1.619 174.465 176.094 -0.016 0.000 1.072 31 V CA -1.100 61.193 62.300 -0.011 0.000 0.937 31 V CB 2.161 33.968 31.823 -0.028 0.000 1.013 31 V HN 0.547 nan 8.190 nan 0.000 0.430 32 L N 6.137 127.346 121.223 -0.023 0.000 2.409 32 L HA 0.735 5.074 4.340 -0.001 0.000 0.272 32 L C -1.062 175.776 176.870 -0.054 0.000 0.980 32 L CA -0.130 54.692 54.840 -0.030 0.000 0.826 32 L CB 2.049 44.103 42.059 -0.008 0.000 1.268 32 L HN 0.496 nan 8.230 nan 0.000 0.407 33 V N 5.400 125.264 119.914 -0.084 0.000 2.427 33 V HA 0.622 4.742 4.120 -0.001 0.000 0.286 33 V C -0.201 175.801 176.094 -0.152 0.000 1.034 33 V CA -0.440 61.790 62.300 -0.117 0.000 0.893 33 V CB 1.763 33.499 31.823 -0.144 0.000 0.982 33 V HN 0.659 nan 8.190 nan 0.000 0.452 34 V N 2.335 122.173 119.914 -0.127 0.000 2.581 34 V HA 0.980 5.100 4.120 -0.001 0.000 0.303 34 V C -0.742 175.268 176.094 -0.140 0.000 1.041 34 V CA -0.643 61.581 62.300 -0.127 0.000 0.907 34 V CB 1.840 33.625 31.823 -0.063 0.000 0.994 34 V HN 0.913 nan 8.190 nan 0.000 0.442 35 E N 3.174 123.283 120.200 -0.152 0.000 2.278 35 E HA 0.457 4.807 4.350 -0.001 0.000 0.272 35 E C 0.587 177.184 176.600 -0.005 0.000 0.890 35 E CA -0.392 55.945 56.400 -0.105 0.000 0.770 35 E CB 2.130 31.695 29.700 -0.226 0.000 1.212 35 E HN 0.804 nan 8.360 nan 0.000 0.415 36 R N 3.117 123.628 120.500 0.019 0.000 2.148 36 R HA 0.187 4.527 4.340 -0.001 0.000 0.223 36 R C 0.443 176.788 176.300 0.074 0.000 1.088 36 R CA 0.335 56.458 56.100 0.039 0.000 0.985 36 R CB -0.105 30.208 30.300 0.022 0.000 0.880 36 R HN 0.224 nan 8.270 nan 0.000 0.451 37 R N 1.333 121.894 120.500 0.103 0.000 2.641 37 R HA 0.080 4.419 4.340 -0.001 0.000 0.269 37 R C -1.783 174.637 176.300 0.200 0.000 1.074 37 R CA -1.678 54.493 56.100 0.119 0.000 1.133 37 R CB 0.297 30.665 30.300 0.114 0.000 1.029 37 R HN 0.032 nan 8.270 nan 0.000 0.488 38 P HA 0.023 nan 4.420 nan 0.000 0.233 38 P C -0.182 176.965 177.300 -0.254 0.000 1.167 38 P CA 0.563 63.668 63.100 0.009 0.000 0.770 38 P CB 0.500 32.174 31.700 -0.044 0.000 0.837 39 G N -1.596 107.050 108.800 -0.257 0.000 2.547 39 G HA2 0.414 4.374 3.960 -0.001 0.000 0.291 39 G HA3 0.414 4.374 3.960 -0.001 0.000 0.291 39 G C -1.514 173.289 174.900 -0.162 0.000 1.471 39 G CA -0.766 43.936 45.100 -0.663 0.000 0.798 39 G HN -0.053 nan 8.290 nan 0.000 0.504 40 L N 0.963 122.135 121.223 -0.085 0.000 2.483 40 L HA 0.300 4.640 4.340 -0.001 0.000 0.276 40 L C 1.339 178.193 176.870 -0.025 0.000 1.213 40 L CA -0.132 54.762 54.840 0.089 0.000 0.843 40 L CB 1.024 43.148 42.059 0.107 0.000 1.107 40 L HN 0.491 nan 8.230 nan 0.000 0.487 41 S N 3.139 118.829 115.700 -0.016 0.000 2.549 41 S HA 0.218 4.688 4.470 -0.001 0.000 0.279 41 S C -1.270 173.282 174.600 -0.079 0.000 1.321 41 S CA -1.241 56.906 58.200 -0.087 0.000 1.054 41 S CB 0.828 63.996 63.200 -0.053 0.000 0.899 41 S HN 0.467 nan 8.310 nan 0.000 0.497 42 P HA 0.066 nan 4.420 nan 0.000 0.249 42 P C -0.486 176.862 177.300 0.079 0.000 1.229 42 P CA 0.168 63.229 63.100 -0.065 0.000 0.788 42 P CB 0.004 31.636 31.700 -0.113 0.000 1.072 43 Y N 2.043 122.333 120.300 -0.017 0.000 2.377 43 Y HA 0.120 4.670 4.550 -0.001 0.000 0.330 43 Y C -0.661 175.236 175.900 -0.006 0.000 1.108 43 Y CA -3.213 54.877 58.100 -0.016 0.000 1.308 43 Y CB -0.290 38.157 38.460 -0.022 0.000 1.216 43 Y HN -0.042 nan 8.280 nan 0.000 0.518 44 P HA -0.232 nan 4.420 nan 0.000 0.216 44 P C 0.386 177.739 177.300 0.087 0.000 1.153 44 P CA 1.758 64.912 63.100 0.091 0.000 0.858 44 P CB 0.604 32.341 31.700 0.061 0.000 0.789 45 R N -0.494 120.063 120.500 0.095 0.000 3.707 45 R HA -0.222 4.117 4.340 -0.001 0.000 0.504 45 R C 0.842 177.188 176.300 0.077 0.000 0.241 45 R CA 1.614 57.760 56.100 0.075 0.000 1.576 45 R CB -2.645 27.679 30.300 0.038 0.000 0.924 45 R HN 0.330 nan 8.270 nan 0.000 0.597 46 A N 1.092 123.944 122.820 0.053 0.000 2.404 46 A HA 0.603 4.922 4.320 -0.001 0.000 0.273 46 A C -0.058 177.543 177.584 0.028 0.000 1.144 46 A CA 0.275 52.337 52.037 0.041 0.000 0.806 46 A CB 0.533 19.559 19.000 0.043 0.000 1.080 46 A HN 0.630 nan 8.150 nan 0.000 0.509 47 A N 2.220 125.041 122.820 0.002 0.000 2.337 47 A HA 0.933 5.253 4.320 -0.001 0.000 0.331 47 A C 0.488 178.080 177.584 0.014 0.000 1.137 47 A CA -0.034 52.004 52.037 0.001 0.000 0.807 47 A CB 0.898 19.892 19.000 -0.010 0.000 1.250 47 A HN 2.808 nan 8.150 nan 0.000 0.468 48 G N 0.317 109.145 108.800 0.046 0.000 2.895 48 G HA2 0.241 4.201 3.960 -0.001 0.000 0.686 48 G HA3 0.241 4.201 3.960 -0.001 0.000 0.686 48 G C -1.161 173.824 174.900 0.142 0.000 1.108 48 G CA -0.713 44.478 45.100 0.151 0.000 0.761 48 G HN 0.966 nan 8.290 nan 0.000 0.611 49 Q N 0.742 120.622 119.800 0.132 0.000 2.341 49 Q HA 0.510 4.849 4.340 -0.001 0.000 0.268 49 Q C 0.439 176.211 176.000 -0.381 0.000 1.013 49 Q CA -0.865 54.903 55.803 -0.059 0.000 0.798 49 Q CB 1.484 30.210 28.738 -0.019 0.000 1.253 49 Q HN 0.938 nan 8.270 nan 0.000 0.457 50 N N 1.508 119.812 118.700 -0.661 0.000 2.408 50 N HA 0.335 5.074 4.740 -0.001 0.000 0.260 50 N C -2.125 172.906 175.510 -0.799 0.000 1.242 50 N CA -1.731 50.538 53.050 -1.302 0.000 0.959 50 N CB 0.347 38.223 38.487 -1.017 0.000 1.201 50 N HN 0.086 nan 8.380 nan 0.000 0.511 51 P HA -0.070 nan 4.420 nan 0.000 0.220 51 P C 1.252 178.378 177.300 -0.289 0.000 1.148 51 P CA 1.175 64.012 63.100 -0.439 0.000 0.803 51 P CB 0.157 31.649 31.700 -0.348 0.000 0.782 52 R N -0.224 120.112 120.500 -0.273 0.000 2.066 52 R HA -0.075 4.264 4.340 -0.001 0.000 0.232 52 R C 1.926 178.110 176.300 -0.194 0.000 1.131 52 R CA 2.309 58.298 56.100 -0.184 0.000 0.955 52 R CB -1.721 28.508 30.300 -0.118 0.000 0.851 52 R HN 0.056 nan 8.270 nan 0.000 0.432 53 T N 1.354 115.784 114.554 -0.208 0.000 2.684 53 T HA -0.153 4.197 4.350 -0.001 0.000 0.267 53 T C 1.738 176.377 174.700 -0.101 0.000 1.036 53 T CA 1.653 63.669 62.100 -0.140 0.000 1.148 53 T CB -0.163 68.629 68.868 -0.127 0.000 0.863 53 T HN 0.092 nan 8.240 nan 0.000 0.436 54 M N 1.312 120.829 119.600 -0.137 0.000 2.144 54 M HA -0.079 4.400 4.480 -0.001 0.000 0.260 54 M C 2.150 178.410 176.300 -0.065 0.000 1.067 54 M CA 1.327 56.576 55.300 -0.085 0.000 1.095 54 M CB -1.220 31.316 32.600 -0.107 0.000 1.365 54 M HN 0.388 nan 8.290 nan 0.000 0.406 55 E N -0.009 120.126 120.200 -0.109 0.000 2.110 55 E HA -0.152 4.198 4.350 -0.001 0.000 0.193 55 E C 2.120 178.659 176.600 -0.102 0.000 0.988 55 E CA 1.005 57.343 56.400 -0.104 0.000 0.804 55 E CB -0.084 29.534 29.700 -0.137 0.000 0.745 55 E HN 0.477 nan 8.360 nan 0.000 0.458 56 L N 0.170 121.305 121.223 -0.147 0.000 2.102 56 L HA -0.084 4.256 4.340 -0.001 0.000 0.202 56 L C 2.382 179.411 176.870 0.266 0.000 1.076 56 L CA 0.510 55.258 54.840 -0.152 0.000 0.761 56 L CB -0.396 41.410 42.059 -0.421 0.000 0.921 56 L HN 0.129 nan 8.230 nan 0.000 0.444 57 L N -0.159 121.193 121.223 0.215 0.000 2.081 57 L HA -0.237 4.103 4.340 -0.001 0.000 0.212 57 L C 2.911 179.874 176.870 0.154 0.000 1.080 57 L CA 1.217 56.184 54.840 0.210 0.000 0.754 57 L CB -0.659 41.462 42.059 0.103 0.000 0.893 57 L HN 0.322 nan 8.230 nan 0.000 0.433 58 R N 0.959 121.518 120.500 0.099 0.000 2.073 58 R HA -0.178 4.162 4.340 -0.001 0.000 0.234 58 R C 2.305 178.677 176.300 0.120 0.000 1.134 58 R CA 1.722 57.869 56.100 0.078 0.000 0.952 58 R CB -0.364 29.956 30.300 0.033 0.000 0.850 58 R HN 0.313 nan 8.270 nan 0.000 0.433 59 I N 0.094 120.763 120.570 0.164 0.000 2.151 59 I HA -0.231 3.939 4.170 -0.001 0.000 0.243 59 I C 2.376 178.671 176.117 0.296 0.000 1.080 59 I CA 1.681 63.119 61.300 0.230 0.000 1.339 59 I CB -0.621 37.556 38.000 0.295 0.000 1.039 59 I HN 0.376 nan 8.210 nan 0.000 0.409 60 G N -0.318 108.752 108.800 0.449 0.000 2.559 60 G HA2 0.043 4.003 3.960 -0.001 0.000 0.216 60 G HA3 0.043 4.003 3.960 -0.001 0.000 0.216 60 G C 1.384 176.310 174.900 0.043 0.000 1.126 60 G CA 0.627 45.889 45.100 0.270 0.000 0.778 60 G HN 0.663 nan 8.290 nan 0.000 0.543 61 G N -1.068 107.779 108.800 0.078 0.000 2.143 61 G HA2 -0.214 3.746 3.960 -0.001 0.000 0.248 61 G HA3 -0.214 3.746 3.960 -0.001 0.000 0.248 61 G C 0.987 175.908 174.900 0.035 0.000 0.991 61 G CA 0.894 46.025 45.100 0.051 0.000 0.689 61 G HN 1.471 nan 8.290 nan 0.000 0.522 62 V N -3.457 116.472 119.914 0.025 0.000 3.578 62 V HA 0.726 4.845 4.120 -0.001 0.000 0.290 62 V C 2.313 178.422 176.094 0.026 0.000 1.376 62 V CA 1.075 63.383 62.300 0.014 0.000 1.083 62 V CB 0.016 31.828 31.823 -0.017 0.000 0.911 62 V HN 1.179 nan 8.190 nan 0.000 0.433 63 A N 1.234 124.076 122.820 0.037 0.000 1.908 63 A HA -0.204 4.116 4.320 -0.001 0.000 0.218 63 A C 1.893 179.495 177.584 0.030 0.000 1.181 63 A CA 2.350 54.408 52.037 0.035 0.000 0.627 63 A CB -0.644 18.378 19.000 0.036 0.000 0.818 63 A HN 0.559 nan 8.150 nan 0.000 0.445 64 D N -0.364 120.053 120.400 0.029 0.000 2.144 64 D HA -0.097 4.543 4.640 -0.001 0.000 0.200 64 D C 1.880 178.194 176.300 0.022 0.000 0.978 64 D CA 1.429 55.444 54.000 0.026 0.000 0.833 64 D CB -0.375 40.441 40.800 0.025 0.000 0.961 64 D HN 0.679 nan 8.370 nan 0.000 0.470 65 E N 0.394 120.606 120.200 0.020 0.000 2.106 65 E HA -0.084 4.265 4.350 -0.001 0.000 0.192 65 E C 2.290 178.900 176.600 0.017 0.000 0.984 65 E CA 0.393 56.802 56.400 0.016 0.000 0.806 65 E CB 0.072 29.779 29.700 0.013 0.000 0.750 65 E HN 0.032 nan 8.360 nan 0.000 0.458 66 V N 0.819 120.745 119.914 0.020 0.000 2.407 66 V HA -0.223 3.897 4.120 -0.001 0.000 0.248 66 V C 2.204 178.313 176.094 0.026 0.000 1.055 66 V CA 1.299 63.613 62.300 0.023 0.000 1.049 66 V CB -0.248 31.591 31.823 0.027 0.000 0.662 66 V HN 0.158 nan 8.190 nan 0.000 0.455 67 V N -0.489 119.442 119.914 0.029 0.000 2.548 67 V HA -0.148 3.972 4.120 -0.001 0.000 0.249 67 V C 2.486 178.591 176.094 0.019 0.000 1.055 67 V CA 1.654 63.973 62.300 0.031 0.000 1.065 67 V CB -0.637 31.210 31.823 0.039 0.000 0.681 67 V HN 0.465 nan 8.190 nan 0.000 0.462 68 R N -0.060 120.449 120.500 0.016 0.000 2.193 68 R HA 0.169 4.508 4.340 -0.001 0.000 0.213 68 R C 1.135 177.438 176.300 0.005 0.000 1.055 68 R CA 0.619 56.724 56.100 0.010 0.000 0.995 68 R CB -0.125 30.181 30.300 0.010 0.000 0.893 68 R HN 0.495 nan 8.270 nan 0.000 0.459 69 A N 1.433 124.257 122.820 0.006 0.000 2.313 69 A HA 0.096 4.416 4.320 -0.001 0.000 0.261 69 A C -0.576 177.006 177.584 -0.002 0.000 1.090 69 A CA -0.525 51.514 52.037 0.003 0.000 0.807 69 A CB 0.305 19.309 19.000 0.007 0.000 1.055 69 A HN 0.061 nan 8.150 nan 0.000 0.492 70 D N 1.196 121.595 120.400 -0.003 0.000 2.383 70 D HA 0.307 4.947 4.640 -0.001 0.000 0.252 70 D C -0.110 176.186 176.300 -0.008 0.000 1.166 70 D CA 0.336 54.332 54.000 -0.007 0.000 0.879 70 D CB 0.845 41.642 40.800 -0.004 0.000 1.164 70 D HN 0.592 nan 8.370 nan 0.000 0.462 71 D N 0.102 120.490 120.400 -0.020 0.000 2.595 71 D HA 0.255 4.894 4.640 -0.001 0.000 0.268 71 D C 1.184 177.476 176.300 -0.013 0.000 1.181 71 D CA -0.686 53.297 54.000 -0.027 0.000 1.085 71 D CB 0.527 41.286 40.800 -0.068 0.000 1.186 71 D HN 0.376 nan 8.370 nan 0.000 0.621 72 I N -4.126 116.437 120.570 -0.011 0.000 4.018 72 I HA 0.333 4.503 4.170 -0.001 0.000 0.337 72 I C 0.753 176.938 176.117 0.114 0.000 1.327 72 I CA -0.671 60.661 61.300 0.052 0.000 1.100 72 I CB -0.014 38.039 38.000 0.089 0.000 1.025 72 I HN -0.075 nan 8.210 nan 0.000 0.396 73 R N 2.167 122.691 120.500 0.041 0.000 2.905 73 R HA 0.284 4.624 4.340 -0.001 0.000 0.273 73 R C 0.874 177.228 176.300 0.091 0.000 1.033 73 R CA 0.547 56.703 56.100 0.094 0.000 1.182 73 R CB 0.238 30.477 30.300 -0.102 0.000 1.097 73 R HN 0.412 nan 8.270 nan 0.000 0.504 74 G N -0.796 108.067 108.800 0.106 0.000 2.588 74 G HA2 -0.010 3.949 3.960 -0.001 0.000 0.278 74 G HA3 -0.010 3.949 3.960 -0.001 0.000 0.278 74 G C 1.004 175.929 174.900 0.042 0.000 1.307 74 G CA 0.024 45.173 45.100 0.082 0.000 1.016 74 G HN 0.702 nan 8.290 nan 0.000 0.503 75 T N -2.914 111.665 114.554 0.042 0.000 2.962 75 T HA -0.083 4.267 4.350 -0.001 0.000 0.270 75 T C 1.654 176.368 174.700 0.022 0.000 1.088 75 T CA 1.377 63.493 62.100 0.027 0.000 1.127 75 T CB -0.033 68.853 68.868 0.030 0.000 0.883 75 T HN 0.465 nan 8.240 nan 0.000 0.493 76 Q N 0.745 120.564 119.800 0.030 0.000 2.365 76 Q HA 0.271 4.611 4.340 -0.001 0.000 0.203 76 Q C 1.306 177.318 176.000 0.020 0.000 0.929 76 Q CA 0.196 56.016 55.803 0.029 0.000 0.948 76 Q CB 0.048 28.809 28.738 0.039 0.000 1.043 76 Q HN 0.799 nan 8.270 nan 0.000 0.505 77 G N 2.385 111.183 108.800 -0.003 0.000 2.249 77 G HA2 -0.267 3.693 3.960 -0.001 0.000 0.273 77 G HA3 -0.267 3.693 3.960 -0.001 0.000 0.273 77 G C -0.459 174.402 174.900 -0.065 0.000 1.036 77 G CA 0.814 45.876 45.100 -0.063 0.000 0.824 77 G HN 0.419 nan 8.290 nan 0.000 0.504 78 D N -1.507 118.912 120.400 0.032 0.000 2.523 78 D HA 0.806 5.445 4.640 -0.001 0.000 0.236 78 D C -0.890 175.545 176.300 0.226 0.000 1.094 78 D CA -0.658 53.421 54.000 0.130 0.000 0.942 78 D CB 1.338 42.211 40.800 0.122 0.000 1.447 78 D HN 0.202 nan 8.370 nan 0.000 0.479 79 F N 2.116 122.125 119.950 0.098 0.000 2.604 79 F HA 0.516 5.042 4.527 -0.001 0.000 0.316 79 F C -1.886 173.950 175.800 0.060 0.000 1.136 79 F CA -0.676 57.377 58.000 0.088 0.000 0.989 79 F CB 1.383 40.451 39.000 0.114 0.000 1.258 79 F HN 0.197 nan 8.300 nan 0.000 0.451 80 V N 7.137 126.835 119.914 -0.359 0.000 2.769 80 V HA 0.700 4.819 4.120 -0.001 0.000 0.312 80 V C -1.077 174.744 176.094 -0.454 0.000 1.061 80 V CA -0.674 61.469 62.300 -0.262 0.000 0.931 80 V CB 2.150 33.853 31.823 -0.199 0.000 1.010 80 V HN 0.651 nan 8.190 nan 0.000 0.433 81 I N 6.360 126.794 120.570 -0.226 0.000 2.436 81 I HA 0.662 4.832 4.170 -0.001 0.000 0.289 81 I C -0.260 175.790 176.117 -0.111 0.000 1.010 81 I CA -0.608 60.602 61.300 -0.151 0.000 1.098 81 I CB 1.886 39.939 38.000 0.089 0.000 1.266 81 I HN 0.545 nan 8.210 nan 0.000 0.434 82 R N 4.995 125.399 120.500 -0.160 0.000 2.668 82 R HA 0.616 4.956 4.340 -0.001 0.000 0.272 82 R C -1.773 174.613 176.300 0.144 0.000 1.019 82 R CA -1.014 55.047 56.100 -0.065 0.000 0.894 82 R CB 2.524 32.698 30.300 -0.210 0.000 1.228 82 R HN 0.328 nan 8.270 nan 0.000 0.460 83 L N 1.916 123.246 121.223 0.179 0.000 2.289 83 L HA 0.773 5.113 4.340 -0.001 0.000 0.285 83 L C -0.185 176.785 176.870 0.166 0.000 1.049 83 L CA 0.189 55.168 54.840 0.232 0.000 0.804 83 L CB 1.661 43.820 42.059 0.167 0.000 1.195 83 L HN 0.850 nan 8.230 nan 0.000 0.428 84 A N 2.543 125.482 122.820 0.198 0.000 2.610 84 A HA 0.582 4.901 4.320 -0.001 0.000 0.291 84 A C 0.305 177.957 177.584 0.114 0.000 1.086 84 A CA -0.474 51.648 52.037 0.141 0.000 0.677 84 A CB 0.902 20.002 19.000 0.166 0.000 1.278 84 A HN 0.712 nan 8.150 nan 0.000 0.414 85 E N -0.032 120.205 120.200 0.062 0.000 2.170 85 E HA 0.079 4.429 4.350 -0.001 0.000 0.191 85 E C 0.681 177.313 176.600 0.052 0.000 0.981 85 E CA 1.249 57.667 56.400 0.031 0.000 0.830 85 E CB 0.158 29.849 29.700 -0.016 0.000 0.775 85 E HN 0.741 nan 8.360 nan 0.000 0.470 86 S N -1.676 114.040 115.700 0.027 0.000 2.638 86 S HA 0.276 4.746 4.470 -0.001 0.000 0.274 86 S C 0.750 175.276 174.600 -0.123 0.000 1.157 86 S CA -0.890 57.298 58.200 -0.020 0.000 0.826 86 S CB 1.587 64.794 63.200 0.012 0.000 1.139 86 S HN -0.144 nan 8.310 nan 0.000 0.474 87 V N 1.276 121.002 119.914 -0.313 0.000 2.216 87 V HA -0.089 4.030 4.120 -0.001 0.000 0.243 87 V C 1.486 177.358 176.094 -0.370 0.000 1.044 87 V CA 2.033 63.976 62.300 -0.595 0.000 0.995 87 V CB -1.003 30.219 31.823 -1.002 0.000 0.633 87 V HN 0.925 nan 8.190 nan 0.000 0.446 88 R N 0.989 121.316 120.500 -0.288 0.000 2.893 88 R HA 0.539 4.878 4.340 -0.001 0.000 0.243 88 R C 0.068 176.315 176.300 -0.088 0.000 1.481 88 R CA 0.479 56.482 56.100 -0.162 0.000 1.250 88 R CB -0.069 30.143 30.300 -0.147 0.000 1.213 88 R HN 0.388 nan 8.270 nan 0.000 0.609 89 G N 1.116 109.887 108.800 -0.047 0.000 2.578 89 G HA2 0.247 4.207 3.960 -0.001 0.000 0.302 89 G HA3 0.247 4.207 3.960 -0.001 0.000 0.302 89 G C -1.513 173.393 174.900 0.011 0.000 1.243 89 G CA -0.775 44.313 45.100 -0.019 0.000 0.843 89 G HN 0.276 nan 8.290 nan 0.000 0.486 90 E N 0.007 120.214 120.200 0.012 0.000 2.175 90 E HA 0.546 4.896 4.350 -0.001 0.000 0.278 90 E C -0.231 176.389 176.600 0.033 0.000 0.969 90 E CA -0.474 55.937 56.400 0.018 0.000 0.796 90 E CB 1.926 31.628 29.700 0.005 0.000 1.104 90 E HN 0.387 nan 8.360 nan 0.000 0.395 91 I N 4.945 125.538 120.570 0.038 0.000 2.421 91 I HA -0.044 4.125 4.170 -0.001 0.000 0.291 91 I C 1.182 177.316 176.117 0.028 0.000 1.089 91 I CA 0.089 61.417 61.300 0.046 0.000 1.354 91 I CB 0.257 38.280 38.000 0.037 0.000 1.413 91 I HN 0.508 nan 8.210 nan 0.000 0.513 92 L N 5.405 126.649 121.223 0.034 0.000 2.017 92 L HA -0.045 4.295 4.340 -0.001 0.000 0.208 92 L C 1.223 178.092 176.870 -0.002 0.000 1.073 92 L CA 1.267 56.112 54.840 0.009 0.000 0.745 92 L CB -0.425 41.637 42.059 0.006 0.000 0.894 92 L HN 0.627 nan 8.230 nan 0.000 0.432 93 R N -1.038 119.468 120.500 0.010 0.000 2.561 93 R HA 0.271 4.611 4.340 -0.001 0.000 0.266 93 R C -1.470 174.834 176.300 0.008 0.000 1.091 93 R CA -0.396 55.702 56.100 -0.003 0.000 0.927 93 R CB 1.681 31.968 30.300 -0.021 0.000 1.240 93 R HN -0.241 nan 8.270 nan 0.000 0.449 94 T N 3.504 118.056 114.554 -0.004 0.000 2.733 94 T HA 0.186 4.536 4.350 -0.001 0.000 0.294 94 T C 1.101 175.794 174.700 -0.011 0.000 0.956 94 T CA -0.585 61.510 62.100 -0.010 0.000 0.987 94 T CB 1.503 70.361 68.868 -0.015 0.000 0.920 94 T HN 0.401 nan 8.240 nan 0.000 0.470 95 V N 2.747 122.661 119.914 0.000 0.000 2.231 95 V HA 0.020 4.140 4.120 -0.001 0.000 0.240 95 V C 1.428 177.507 176.094 -0.025 0.000 1.039 95 V CA 1.020 63.316 62.300 -0.008 0.000 0.998 95 V CB -0.049 31.793 31.823 0.031 0.000 0.639 95 V HN 0.770 nan 8.190 nan 0.000 0.451 96 S N -1.085 114.602 115.700 -0.023 0.000 2.498 96 S HA 0.314 4.783 4.470 -0.001 0.000 0.317 96 S C 0.559 175.142 174.600 -0.028 0.000 1.090 96 S CA -0.541 57.639 58.200 -0.033 0.000 1.089 96 S CB 1.682 64.857 63.200 -0.042 0.000 0.997 96 S HN 0.405 nan 8.310 nan 0.000 0.470 97 E N 3.510 123.698 120.200 -0.020 0.000 2.152 97 E HA 0.051 4.401 4.350 -0.001 0.000 0.192 97 E C 0.476 177.082 176.600 0.009 0.000 0.983 97 E CA 1.031 57.425 56.400 -0.010 0.000 0.818 97 E CB 0.184 29.882 29.700 -0.005 0.000 0.758 97 E HN 0.661 nan 8.360 nan 0.000 0.467 98 S N -2.679 113.036 115.700 0.024 0.000 2.611 98 S HA 0.210 4.680 4.470 -0.001 0.000 0.268 98 S C 0.266 174.928 174.600 0.102 0.000 1.156 98 S CA -0.423 57.826 58.200 0.081 0.000 0.817 98 S CB -0.212 63.036 63.200 0.080 0.000 1.122 98 S HN 0.048 nan 8.310 nan 0.000 0.466 99 F N 1.666 121.639 119.950 0.039 0.000 2.084 99 F HA 0.046 4.573 4.527 -0.001 0.000 0.296 99 F C 1.804 177.593 175.800 -0.018 0.000 1.111 99 F CA 2.245 60.246 58.000 0.001 0.000 1.224 99 F CB -0.496 38.527 39.000 0.038 0.000 0.991 99 F HN 0.705 nan 8.300 nan 0.000 0.471 100 D N 0.310 120.770 120.400 0.100 0.000 2.190 100 D HA -0.192 4.447 4.640 -0.001 0.000 0.200 100 D C 1.696 177.939 176.300 -0.095 0.000 0.992 100 D CA 1.651 55.658 54.000 0.012 0.000 0.854 100 D CB -0.404 40.455 40.800 0.098 0.000 0.936 100 D HN 0.367 nan 8.370 nan 0.000 0.462 101 D N -1.131 119.218 120.400 -0.086 0.000 2.271 101 D HA 0.042 4.681 4.640 -0.001 0.000 0.206 101 D C 1.903 178.124 176.300 -0.133 0.000 0.967 101 D CA 0.103 54.056 54.000 -0.079 0.000 0.867 101 D CB 0.001 40.777 40.800 -0.040 0.000 0.960 101 D HN 0.143 nan 8.370 nan 0.000 0.509 102 M N -0.105 119.346 119.600 -0.248 0.000 2.132 102 M HA -0.132 4.348 4.480 -0.001 0.000 0.263 102 M C 1.641 177.770 176.300 -0.286 0.000 1.065 102 M CA 1.066 56.161 55.300 -0.343 0.000 1.122 102 M CB 0.186 32.418 32.600 -0.613 0.000 1.365 102 M HN -0.113 nan 8.290 nan 0.000 0.411 103 V N 0.638 120.325 119.914 -0.379 0.000 2.343 103 V HA -0.227 3.892 4.120 -0.001 0.000 0.247 103 V C 2.610 178.678 176.094 -0.044 0.000 1.051 103 V CA 1.852 64.072 62.300 -0.133 0.000 1.036 103 V CB -1.471 30.216 31.823 -0.226 0.000 0.654 103 V HN 0.617 nan 8.190 nan 0.000 0.451 104 A N 0.131 122.907 122.820 -0.073 0.000 1.978 104 A HA -0.117 4.202 4.320 -0.001 0.000 0.220 104 A C 2.415 179.993 177.584 -0.011 0.000 1.170 104 A CA 1.914 53.932 52.037 -0.032 0.000 0.636 104 A CB -0.700 18.283 19.000 -0.029 0.000 0.810 104 A HN 0.588 nan 8.150 nan 0.000 0.448 105 A N -0.529 122.289 122.820 -0.004 0.000 1.978 105 A HA -0.091 4.229 4.320 -0.001 0.000 0.220 105 A C 2.181 179.788 177.584 0.038 0.000 1.170 105 A CA 2.422 54.473 52.037 0.023 0.000 0.636 105 A CB -0.798 18.225 19.000 0.038 0.000 0.810 105 A HN 0.854 nan 8.150 nan 0.000 0.448 106 T N -4.403 110.178 114.554 0.045 0.000 3.040 106 T HA 0.160 4.509 4.350 -0.001 0.000 0.266 106 T C 1.349 176.024 174.700 -0.041 0.000 1.005 106 T CA 0.536 62.644 62.100 0.014 0.000 0.906 106 T CB 0.234 69.120 68.868 0.030 0.000 1.082 106 T HN 0.333 nan 8.240 nan 0.000 0.531 107 E N 2.827 123.006 120.200 -0.036 0.000 2.187 107 E HA -0.132 4.217 4.350 -0.001 0.000 0.199 107 E C -0.765 175.786 176.600 -0.081 0.000 1.004 107 E CA 1.624 57.981 56.400 -0.071 0.000 0.813 107 E CB -0.798 28.883 29.700 -0.031 0.000 0.736 107 E HN 0.466 nan 8.360 nan 0.000 0.468 108 P HA 0.008 nan 4.420 nan 0.000 0.241 108 P C 1.228 178.578 177.300 0.083 0.000 1.191 108 P CA 0.676 63.811 63.100 0.059 0.000 0.771 108 P CB -0.377 31.346 31.700 0.038 0.000 0.929 109 C N -3.909 115.362 119.300 -0.049 0.000 3.000 109 C HA 0.591 5.051 4.460 -0.001 0.000 0.286 109 C C 0.532 175.404 174.990 -0.197 0.000 1.343 109 C CA -0.406 58.576 59.018 -0.059 0.000 1.742 109 C CB -1.391 26.305 27.740 -0.074 0.000 2.200 109 C HN 0.187 nan 8.230 nan 0.000 0.621 110 T N 0.930 115.203 114.554 -0.469 0.000 3.128 110 T HA 0.411 4.760 4.350 -0.001 0.000 0.363 110 T C -2.531 171.805 174.700 -0.608 0.000 1.610 110 T CA -0.212 61.575 62.100 -0.520 0.000 1.126 110 T CB 1.999 70.718 68.868 -0.248 0.000 1.416 110 T HN -0.060 nan 8.240 nan 0.000 0.480 111 P HA 0.279 nan 4.420 nan 0.000 0.230 111 P C 0.450 177.671 177.300 -0.132 0.000 1.168 111 P CA 0.110 63.066 63.100 -0.240 0.000 0.793 111 P CB 0.098 31.750 31.700 -0.080 0.000 0.851 112 A N 0.218 122.956 122.820 -0.137 0.000 2.366 112 A HA 0.546 4.866 4.320 -0.001 0.000 0.249 112 A C 0.876 178.403 177.584 -0.095 0.000 1.084 112 A CA 0.337 52.315 52.037 -0.098 0.000 0.794 112 A CB -0.083 18.848 19.000 -0.115 0.000 1.034 112 A HN 0.261 nan 8.150 nan 0.000 0.491 113 G N -1.089 107.682 108.800 -0.047 0.000 3.302 113 G HA2 0.512 4.471 3.960 -0.001 0.000 0.170 113 G HA3 0.512 4.471 3.960 -0.001 0.000 0.170 113 G C -1.191 173.688 174.900 -0.035 0.000 1.119 113 G CA -0.738 44.364 45.100 0.004 0.000 0.826 113 G HN 0.664 nan 8.290 nan 0.000 0.646 114 W N 0.198 121.494 121.300 -0.007 0.000 2.516 114 W HA 0.731 5.391 4.660 -0.001 0.000 0.343 114 W C 0.311 176.927 176.519 0.162 0.000 1.094 114 W CA 0.042 57.421 57.345 0.058 0.000 1.250 114 W CB 1.859 31.333 29.460 0.023 0.000 1.308 114 W HN 0.618 nan 8.180 nan 0.000 0.588 115 A N 2.756 125.772 122.820 0.326 0.000 2.386 115 A HA 0.845 5.164 4.320 -0.001 0.000 0.308 115 A C -0.426 177.298 177.584 0.235 0.000 1.128 115 A CA -0.707 51.471 52.037 0.235 0.000 0.789 115 A CB 1.388 20.455 19.000 0.112 0.000 1.325 115 A HN 0.623 nan 8.150 nan 0.000 0.437 116 M N 1.775 121.437 119.600 0.103 0.000 2.875 116 M HA 0.235 4.715 4.480 -0.001 0.000 0.403 116 M C -0.785 175.512 176.300 -0.004 0.000 1.304 116 M CA 0.327 55.640 55.300 0.021 0.000 0.854 116 M CB -0.826 31.708 32.600 -0.110 0.000 1.415 116 M HN 0.557 nan 8.290 nan 0.000 0.505 117 L N 1.174 122.409 121.223 0.021 0.000 2.439 117 L HA 0.315 4.655 4.340 -0.001 0.000 0.269 117 L C 1.095 177.977 176.870 0.020 0.000 1.179 117 L CA -0.314 54.536 54.840 0.016 0.000 0.828 117 L CB 0.255 42.326 42.059 0.020 0.000 1.106 117 L HN 0.300 nan 8.230 nan 0.000 0.467 118 S N 0.406 116.119 115.700 0.022 0.000 2.614 118 S HA 0.063 4.533 4.470 -0.001 0.000 0.265 118 S C 0.694 175.314 174.600 0.034 0.000 1.303 118 S CA -0.608 57.611 58.200 0.031 0.000 1.000 118 S CB 1.480 64.702 63.200 0.037 0.000 0.935 118 S HN 0.740 nan 8.310 nan 0.000 0.551 119 Q N 1.029 120.853 119.800 0.041 0.000 2.133 119 Q HA -0.246 4.094 4.340 -0.001 0.000 0.208 119 Q C 1.531 177.554 176.000 0.038 0.000 0.991 119 Q CA 2.208 58.035 55.803 0.040 0.000 0.867 119 Q CB -0.335 28.430 28.738 0.044 0.000 0.911 119 Q HN 0.935 nan 8.270 nan 0.000 0.417 120 D N -1.066 119.360 120.400 0.043 0.000 2.371 120 D HA -0.153 4.487 4.640 -0.001 0.000 0.221 120 D C 1.048 177.363 176.300 0.024 0.000 0.986 120 D CA 0.669 54.689 54.000 0.034 0.000 0.899 120 D CB 0.098 40.922 40.800 0.039 0.000 0.902 120 D HN 0.166 nan 8.370 nan 0.000 0.530 121 K N -0.181 120.233 120.400 0.023 0.000 2.308 121 K HA 0.099 4.418 4.320 -0.001 0.000 0.197 121 K C 1.961 178.572 176.600 0.018 0.000 1.049 121 K CA -0.123 56.174 56.287 0.017 0.000 0.991 121 K CB -0.161 32.347 32.500 0.014 0.000 0.836 121 K HN 0.145 nan 8.250 nan 0.000 0.500 122 L N 2.268 123.505 121.223 0.022 0.000 2.072 122 L HA -0.021 4.318 4.340 -0.001 0.000 0.205 122 L C 1.807 178.688 176.870 0.019 0.000 1.079 122 L CA 1.810 56.662 54.840 0.021 0.000 0.752 122 L CB -0.317 41.757 42.059 0.026 0.000 0.906 122 L HN 0.116 nan 8.230 nan 0.000 0.436 123 E N -0.263 119.951 120.200 0.024 0.000 2.110 123 E HA -0.187 4.163 4.350 -0.001 0.000 0.193 123 E C -0.526 176.090 176.600 0.027 0.000 0.988 123 E CA 1.378 57.794 56.400 0.027 0.000 0.804 123 E CB -0.966 28.757 29.700 0.039 0.000 0.745 123 E HN 0.482 nan 8.360 nan 0.000 0.458 124 P HA -0.143 nan 4.420 nan 0.000 0.216 124 P C 1.289 178.598 177.300 0.015 0.000 1.153 124 P CA 1.096 64.212 63.100 0.026 0.000 0.848 124 P CB 0.009 31.720 31.700 0.018 0.000 0.787 125 I N -1.187 119.388 120.570 0.008 0.000 2.127 125 I HA -0.251 3.919 4.170 -0.001 0.000 0.241 125 I C 2.365 178.471 176.117 -0.019 0.000 1.075 125 I CA 1.431 62.730 61.300 -0.002 0.000 1.334 125 I CB -0.827 37.173 38.000 -0.001 0.000 1.040 125 I HN -0.141 nan 8.210 nan 0.000 0.405 126 L N -0.284 120.922 121.223 -0.028 0.000 1.989 126 L HA -0.250 4.090 4.340 -0.001 0.000 0.211 126 L C 2.657 179.499 176.870 -0.047 0.000 1.071 126 L CA 1.206 56.008 54.840 -0.063 0.000 0.749 126 L CB -0.935 41.092 42.059 -0.054 0.000 0.890 126 L HN 0.299 nan 8.230 nan 0.000 0.431 127 L N 0.670 121.885 121.223 -0.014 0.000 2.012 127 L HA -0.195 4.145 4.340 -0.001 0.000 0.210 127 L C 2.690 179.562 176.870 0.003 0.000 1.073 127 L CA 2.141 56.981 54.840 -0.000 0.000 0.748 127 L CB -0.811 41.271 42.059 0.039 0.000 0.891 127 L HN 0.177 nan 8.230 nan 0.000 0.431 128 A N -1.122 121.703 122.820 0.008 0.000 1.940 128 A HA -0.296 4.024 4.320 -0.001 0.000 0.219 128 A C 2.282 179.871 177.584 0.008 0.000 1.176 128 A CA 1.872 53.914 52.037 0.008 0.000 0.631 128 A CB -0.710 18.294 19.000 0.007 0.000 0.814 128 A HN 0.636 nan 8.150 nan 0.000 0.446 129 Q N -0.356 119.448 119.800 0.006 0.000 2.123 129 Q HA 0.075 4.415 4.340 -0.001 0.000 0.199 129 Q C 1.985 178.039 176.000 0.090 0.000 0.966 129 Q CA 1.783 57.614 55.803 0.046 0.000 0.845 129 Q CB -0.514 28.218 28.738 -0.010 0.000 0.907 129 Q HN 0.541 nan 8.270 nan 0.000 0.439 130 A N 0.633 123.458 122.820 0.008 0.000 1.902 130 A HA -0.183 4.137 4.320 -0.001 0.000 0.217 130 A C 2.112 179.717 177.584 0.035 0.000 1.181 130 A CA 1.502 53.543 52.037 0.007 0.000 0.623 130 A CB -0.464 18.515 19.000 -0.035 0.000 0.818 130 A HN 0.363 nan 8.150 nan 0.000 0.443 131 R N -0.488 120.021 120.500 0.015 0.000 2.066 131 R HA -0.123 4.217 4.340 -0.001 0.000 0.232 131 R C 2.388 178.678 176.300 -0.016 0.000 1.131 131 R CA 1.515 57.617 56.100 0.003 0.000 0.955 131 R CB -0.362 29.939 30.300 0.003 0.000 0.851 131 R HN 0.647 nan 8.270 nan 0.000 0.432 132 K N 0.544 120.921 120.400 -0.038 0.000 2.160 132 K HA -0.198 4.122 4.320 -0.001 0.000 0.206 132 K C 0.871 177.295 176.600 -0.292 0.000 1.047 132 K CA 1.739 57.938 56.287 -0.147 0.000 0.930 132 K CB -0.069 32.335 32.500 -0.159 0.000 0.720 132 K HN 0.326 nan 8.250 nan 0.000 0.450 133 H N -1.686 117.370 119.070 -0.023 0.000 2.524 133 H HA 0.210 4.765 4.556 -0.001 0.000 0.280 133 H C 0.713 176.032 175.328 -0.015 0.000 1.018 133 H CA 0.634 56.671 56.048 -0.018 0.000 1.165 133 H CB 1.030 30.778 29.762 -0.023 0.000 1.411 133 H HN 0.546 nan 8.280 nan 0.000 0.569 134 G N -0.410 108.411 108.800 0.034 0.000 2.163 134 G HA2 -0.202 3.758 3.960 -0.001 0.000 0.213 134 G HA3 -0.202 3.758 3.960 -0.001 0.000 0.213 134 G C 0.713 175.624 174.900 0.018 0.000 0.991 134 G CA -0.203 44.909 45.100 0.020 0.000 0.653 134 G HN 0.710 nan 8.290 nan 0.000 0.518 135 G N -0.280 108.532 108.800 0.019 0.000 2.507 135 G HA2 0.810 4.770 3.960 -0.001 0.000 0.271 135 G HA3 0.810 4.770 3.960 -0.001 0.000 0.271 135 G C 0.062 174.957 174.900 -0.007 0.000 1.189 135 G CA 0.487 45.588 45.100 0.002 0.000 0.859 135 G HN 1.585 nan 8.290 nan 0.000 0.542 136 A N 0.247 123.056 122.820 -0.019 0.000 2.515 136 A HA 0.788 5.108 4.320 -0.001 0.000 0.296 136 A C -1.134 176.418 177.584 -0.053 0.000 1.094 136 A CA -0.636 51.387 52.037 -0.022 0.000 0.718 136 A CB 1.717 20.710 19.000 -0.012 0.000 1.307 136 A HN 0.971 nan 8.150 nan 0.000 0.408 137 I N -0.024 120.505 120.570 -0.067 0.000 2.730 137 I HA 0.640 4.810 4.170 -0.001 0.000 0.298 137 I C -0.768 175.260 176.117 -0.148 0.000 1.089 137 I CA -0.720 60.481 61.300 -0.165 0.000 1.041 137 I CB 1.872 39.702 38.000 -0.283 0.000 1.235 137 I HN 0.726 nan 8.210 nan 0.000 0.423 138 R N 6.117 126.499 120.500 -0.196 0.000 2.422 138 R HA 0.429 4.769 4.340 -0.001 0.000 0.307 138 R C -1.394 174.821 176.300 -0.141 0.000 1.004 138 R CA -0.540 55.509 56.100 -0.084 0.000 0.882 138 R CB 1.263 31.573 30.300 0.016 0.000 1.164 138 R HN 0.374 nan 8.270 nan 0.000 0.489 139 F N 0.488 120.449 119.950 0.017 0.000 2.403 139 F HA 0.254 4.780 4.527 -0.001 0.000 0.320 139 F C 1.797 177.608 175.800 0.018 0.000 1.176 139 F CA 1.051 59.057 58.000 0.010 0.000 1.206 139 F CB 0.902 39.901 39.000 -0.000 0.000 1.235 139 F HN 0.786 nan 8.300 nan 0.000 0.565 140 G N 1.006 109.945 108.800 0.233 0.000 2.179 140 G HA2 -0.236 3.724 3.960 -0.001 0.000 0.257 140 G HA3 -0.236 3.724 3.960 -0.001 0.000 0.257 140 G C -0.166 174.790 174.900 0.094 0.000 1.010 140 G CA 0.299 45.479 45.100 0.133 0.000 0.736 140 G HN 0.734 nan 8.290 nan 0.000 0.513 141 T N -0.343 114.255 114.554 0.074 0.000 2.812 141 T HA 0.664 5.013 4.350 -0.001 0.000 0.282 141 T C -0.077 174.628 174.700 0.007 0.000 0.990 141 T CA -0.601 61.527 62.100 0.048 0.000 0.960 141 T CB 2.280 71.183 68.868 0.059 0.000 0.948 141 T HN 0.549 nan 8.240 nan 0.000 0.438 142 R N 2.772 123.265 120.500 -0.011 0.000 2.561 142 R HA 0.573 4.912 4.340 -0.001 0.000 0.297 142 R C -1.203 175.071 176.300 -0.044 0.000 0.969 142 R CA -0.950 55.139 56.100 -0.019 0.000 0.879 142 R CB 1.151 31.449 30.300 -0.003 0.000 1.178 142 R HN 0.519 nan 8.270 nan 0.000 0.445 143 L N 5.514 126.718 121.223 -0.031 0.000 2.410 143 L HA 0.186 4.525 4.340 -0.001 0.000 0.273 143 L C -0.095 176.776 176.870 0.001 0.000 1.144 143 L CA 0.422 55.250 54.840 -0.020 0.000 0.863 143 L CB 0.836 42.901 42.059 0.010 0.000 1.140 143 L HN 0.848 nan 8.230 nan 0.000 0.463 144 L N 3.038 124.256 121.223 -0.007 0.000 2.349 144 L HA 0.309 4.648 4.340 -0.001 0.000 0.200 144 L C 0.704 177.578 176.870 0.008 0.000 1.064 144 L CA 0.697 55.533 54.840 -0.006 0.000 0.821 144 L CB -0.043 41.999 42.059 -0.028 0.000 1.027 144 L HN 0.858 nan 8.230 nan 0.000 0.476 145 S N -0.717 114.997 115.700 0.023 0.000 2.661 145 S HA 0.584 5.053 4.470 -0.001 0.000 0.268 145 S C -1.294 173.368 174.600 0.103 0.000 1.162 145 S CA -0.834 57.364 58.200 -0.003 0.000 0.817 145 S CB 1.811 64.942 63.200 -0.115 0.000 1.141 145 S HN 0.105 nan 8.310 nan 0.000 0.477 146 F N -1.323 118.608 119.950 -0.033 0.000 2.654 146 F HA 0.935 5.462 4.527 -0.001 0.000 0.308 146 F C -0.945 174.834 175.800 -0.034 0.000 1.108 146 F CA -1.088 56.897 58.000 -0.026 0.000 0.957 146 F CB 1.208 40.194 39.000 -0.024 0.000 1.309 146 F HN 0.741 nan 8.300 nan 0.000 0.446 147 R N 1.197 121.757 120.500 0.100 0.000 2.854 147 R HA 0.578 4.918 4.340 -0.001 0.000 0.271 147 R C -1.102 175.219 176.300 0.035 0.000 0.996 147 R CA -0.921 55.159 56.100 -0.035 0.000 0.961 147 R CB 2.143 32.374 30.300 -0.114 0.000 1.182 147 R HN 0.754 nan 8.270 nan 0.000 0.479 148 Q N 0.785 120.522 119.800 -0.105 0.000 2.297 148 Q HA 0.431 4.771 4.340 -0.001 0.000 0.269 148 Q C -0.959 174.827 176.000 -0.356 0.000 1.051 148 Q CA -0.844 54.913 55.803 -0.077 0.000 0.869 148 Q CB 2.300 31.040 28.738 0.004 0.000 1.346 148 Q HN 0.527 nan 8.270 nan 0.000 0.457 149 H N 1.203 120.275 119.070 0.004 0.000 2.924 149 H HA 0.167 4.722 4.556 -0.001 0.000 0.333 149 H C -1.171 174.154 175.328 -0.005 0.000 0.979 149 H CA -0.663 55.388 56.048 0.004 0.000 1.326 149 H CB 1.255 31.026 29.762 0.016 0.000 1.600 149 H HN 0.647 nan 8.280 nan 0.000 0.520 150 D N 1.822 122.262 120.400 0.066 0.000 2.390 150 D HA -0.081 4.559 4.640 -0.001 0.000 0.236 150 D C 0.705 177.036 176.300 0.051 0.000 1.189 150 D CA -0.047 53.976 54.000 0.039 0.000 0.887 150 D CB 1.057 41.869 40.800 0.020 0.000 1.198 150 D HN 0.433 nan 8.370 nan 0.000 0.444 151 D N 0.398 120.817 120.400 0.032 0.000 2.154 151 D HA -0.224 4.416 4.640 -0.001 0.000 0.190 151 D C 1.353 177.670 176.300 0.028 0.000 1.003 151 D CA 1.774 55.791 54.000 0.028 0.000 0.849 151 D CB -0.175 40.638 40.800 0.021 0.000 0.942 151 D HN 0.528 nan 8.370 nan 0.000 0.446 152 D N 0.638 121.053 120.400 0.025 0.000 2.149 152 D HA -0.133 4.507 4.640 -0.001 0.000 0.198 152 D C 1.725 178.040 176.300 0.024 0.000 0.990 152 D CA 1.417 55.429 54.000 0.020 0.000 0.839 152 D CB -0.604 40.206 40.800 0.017 0.000 0.948 152 D HN 0.330 nan 8.370 nan 0.000 0.460 153 A N -0.521 122.325 122.820 0.044 0.000 2.275 153 A HA 0.555 4.874 4.320 -0.001 0.000 0.212 153 A C 1.449 179.062 177.584 0.049 0.000 1.201 153 A CA 0.850 52.922 52.037 0.058 0.000 0.843 153 A CB 0.169 19.232 19.000 0.106 0.000 0.873 153 A HN 0.382 nan 8.150 nan 0.000 0.492 154 G N -1.139 107.691 108.800 0.050 0.000 3.517 154 G HA2 0.500 4.460 3.960 -0.001 0.000 0.173 154 G HA3 0.500 4.460 3.960 -0.001 0.000 0.173 154 G C 0.160 175.083 174.900 0.039 0.000 1.340 154 G CA 0.353 45.482 45.100 0.049 0.000 1.228 154 G HN 0.719 nan 8.290 nan 0.000 0.745 155 A N -0.829 122.033 122.820 0.070 0.000 2.271 155 A HA 0.878 5.197 4.320 -0.001 0.000 0.288 155 A C 0.515 178.181 177.584 0.137 0.000 1.094 155 A CA 0.654 52.738 52.037 0.078 0.000 0.828 155 A CB 0.780 19.785 19.000 0.009 0.000 1.091 155 A HN 2.188 nan 8.150 nan 0.000 0.493 156 G N -2.034 106.794 108.800 0.046 0.000 2.340 156 G HA2 0.538 4.498 3.960 -0.001 0.000 0.299 156 G HA3 0.538 4.498 3.960 -0.001 0.000 0.299 156 G C -1.828 173.075 174.900 0.005 0.000 1.291 156 G CA 0.092 45.138 45.100 -0.090 0.000 0.841 156 G HN 1.386 nan 8.290 nan 0.000 0.500 157 V N 0.018 119.915 119.914 -0.028 0.000 2.733 157 V HA 0.677 4.796 4.120 -0.001 0.000 0.306 157 V C -0.416 175.746 176.094 0.113 0.000 1.084 157 V CA -0.672 61.683 62.300 0.092 0.000 0.905 157 V CB 1.913 33.721 31.823 -0.025 0.000 1.010 157 V HN 0.878 nan 8.190 nan 0.000 0.424 158 T N 3.953 118.645 114.554 0.230 0.000 2.771 158 T HA 0.755 5.105 4.350 -0.001 0.000 0.281 158 T C -0.002 174.794 174.700 0.160 0.000 0.982 158 T CA -0.217 61.981 62.100 0.164 0.000 0.978 158 T CB 1.546 70.540 68.868 0.209 0.000 0.930 158 T HN 0.994 nan 8.240 nan 0.000 0.447 159 A N 3.218 126.098 122.820 0.099 0.000 2.337 159 A HA 0.833 5.152 4.320 -0.001 0.000 0.329 159 A C -0.172 177.420 177.584 0.014 0.000 1.146 159 A CA -0.918 51.173 52.037 0.091 0.000 0.800 159 A CB 1.044 20.066 19.000 0.036 0.000 1.220 159 A HN 0.734 nan 8.150 nan 0.000 0.472 160 R N 1.656 122.155 120.500 -0.001 0.000 2.338 160 R HA 0.712 5.052 4.340 -0.001 0.000 0.317 160 R C -1.579 174.625 176.300 -0.161 0.000 0.968 160 R CA -0.112 55.937 56.100 -0.084 0.000 0.849 160 R CB 0.415 30.691 30.300 -0.040 0.000 1.128 160 R HN 0.632 nan 8.270 nan 0.000 0.448 161 L N 2.773 123.780 121.223 -0.359 0.000 2.354 161 L HA 0.770 5.110 4.340 -0.001 0.000 0.264 161 L C -0.561 176.103 176.870 -0.343 0.000 1.008 161 L CA -1.370 53.227 54.840 -0.405 0.000 0.819 161 L CB 2.405 44.079 42.059 -0.642 0.000 1.339 161 L HN 0.797 nan 8.230 nan 0.000 0.420 162 A N 1.177 123.900 122.820 -0.162 0.000 2.394 162 A HA 0.735 5.055 4.320 -0.001 0.000 0.333 162 A C 0.158 177.752 177.584 0.017 0.000 1.397 162 A CA -0.227 51.778 52.037 -0.054 0.000 0.884 162 A CB 0.357 19.344 19.000 -0.022 0.000 1.147 162 A HN 0.788 nan 8.150 nan 0.000 0.505 163 G N 1.464 110.332 108.800 0.114 0.000 2.583 163 G HA2 0.542 4.501 3.960 -0.001 0.000 0.280 163 G HA3 0.542 4.501 3.960 -0.001 0.000 0.280 163 G C -1.652 173.319 174.900 0.119 0.000 1.376 163 G CA -1.186 44.019 45.100 0.176 0.000 1.043 163 G HN 0.352 nan 8.290 nan 0.000 0.538 164 P HA 0.082 nan 4.420 nan 0.000 0.222 164 P C 0.575 177.911 177.300 0.061 0.000 1.153 164 P CA 0.749 63.890 63.100 0.069 0.000 0.798 164 P CB 0.362 32.097 31.700 0.058 0.000 0.796 165 D N -0.506 119.937 120.400 0.072 0.000 2.336 165 D HA 0.225 4.864 4.640 -0.001 0.000 0.228 165 D C 1.338 177.684 176.300 0.076 0.000 1.120 165 D CA 0.611 54.644 54.000 0.055 0.000 0.839 165 D CB -0.018 40.799 40.800 0.028 0.000 0.932 165 D HN 0.089 nan 8.370 nan 0.000 0.509 166 G N 1.246 110.101 108.800 0.092 0.000 2.568 166 G HA2 -0.240 3.720 3.960 -0.001 0.000 0.222 166 G HA3 -0.240 3.720 3.960 -0.001 0.000 0.222 166 G C -0.402 174.585 174.900 0.144 0.000 1.321 166 G CA -0.795 44.360 45.100 0.092 0.000 0.893 166 G HN 0.240 nan 8.290 nan 0.000 0.569 167 E N 0.093 120.357 120.200 0.106 0.000 2.343 167 E HA 0.581 4.930 4.350 -0.001 0.000 0.269 167 E C -0.237 176.475 176.600 0.187 0.000 1.047 167 E CA 0.238 56.684 56.400 0.077 0.000 0.874 167 E CB 0.926 30.639 29.700 0.022 0.000 1.033 167 E HN 0.757 nan 8.360 nan 0.000 0.409 168 Y N -1.120 119.191 120.300 0.018 0.000 2.689 168 Y HA 0.484 5.034 4.550 -0.001 0.000 0.333 168 Y C -1.352 174.562 175.900 0.023 0.000 1.208 168 Y CA -1.482 56.629 58.100 0.018 0.000 1.055 168 Y CB 1.089 39.558 38.460 0.015 0.000 1.304 168 Y HN 0.186 nan 8.280 nan 0.000 0.455 169 D N 1.299 121.803 120.400 0.173 0.000 2.198 169 D HA 0.598 5.238 4.640 -0.001 0.000 0.247 169 D C -1.575 174.833 176.300 0.179 0.000 1.010 169 D CA -0.154 53.901 54.000 0.092 0.000 0.880 169 D CB 2.334 43.184 40.800 0.082 0.000 1.209 169 D HN 0.646 nan 8.370 nan 0.000 0.451 170 L N 1.672 122.959 121.223 0.106 0.000 2.438 170 L HA 0.404 4.743 4.340 -0.001 0.000 0.270 170 L C -0.752 176.158 176.870 0.065 0.000 0.972 170 L CA -0.532 54.379 54.840 0.118 0.000 0.831 170 L CB 1.512 43.649 42.059 0.130 0.000 1.273 170 L HN 0.213 nan 8.230 nan 0.000 0.405 171 R N 3.731 124.268 120.500 0.060 0.000 2.221 171 R HA 0.778 5.118 4.340 -0.001 0.000 0.327 171 R C -0.617 175.678 176.300 -0.009 0.000 1.033 171 R CA -0.425 55.696 56.100 0.036 0.000 0.887 171 R CB 1.219 31.567 30.300 0.080 0.000 1.057 171 R HN 0.639 nan 8.270 nan 0.000 0.455 172 A N 1.552 124.302 122.820 -0.117 0.000 2.354 172 A HA 0.591 4.911 4.320 -0.001 0.000 0.321 172 A C 1.059 178.297 177.584 -0.576 0.000 1.125 172 A CA -0.541 51.369 52.037 -0.211 0.000 0.799 172 A CB 1.502 20.436 19.000 -0.109 0.000 1.293 172 A HN 0.766 nan 8.150 nan 0.000 0.452 173 G N -0.939 107.472 108.800 -0.648 0.000 2.421 173 G HA2 0.262 4.222 3.960 -0.001 0.000 0.217 173 G HA3 0.262 4.222 3.960 -0.001 0.000 0.217 173 G C 0.029 174.510 174.900 -0.698 0.000 1.143 173 G CA 1.041 45.677 45.100 -0.773 0.000 0.784 173 G HN 0.574 nan 8.290 nan 0.000 0.541 174 Y N -2.193 118.018 120.300 -0.148 0.000 2.597 174 Y HA 0.606 5.155 4.550 -0.001 0.000 0.340 174 Y C -0.770 175.085 175.900 -0.075 0.000 1.097 174 Y CA -1.053 57.017 58.100 -0.050 0.000 1.037 174 Y CB 2.149 40.618 38.460 0.016 0.000 1.305 174 Y HN -0.018 nan 8.280 nan 0.000 0.463 175 L N 2.325 123.608 121.223 0.100 0.000 2.406 175 L HA 0.822 5.161 4.340 -0.001 0.000 0.272 175 L C -1.844 175.027 176.870 0.001 0.000 0.980 175 L CA -0.768 54.041 54.840 -0.053 0.000 0.831 175 L CB 1.311 43.209 42.059 -0.269 0.000 1.253 175 L HN 0.501 nan 8.230 nan 0.000 0.406 176 V N 3.825 123.725 119.914 -0.023 0.000 2.398 176 V HA 0.555 4.674 4.120 -0.001 0.000 0.286 176 V C 0.628 176.691 176.094 -0.052 0.000 1.026 176 V CA -0.364 61.932 62.300 -0.006 0.000 0.868 176 V CB 1.578 33.362 31.823 -0.065 0.000 0.982 176 V HN 0.872 nan 8.190 nan 0.000 0.443 177 G N 3.156 111.934 108.800 -0.036 0.000 2.571 177 G HA2 0.522 4.481 3.960 -0.001 0.000 0.327 177 G HA3 0.522 4.481 3.960 -0.001 0.000 0.327 177 G C 0.317 175.191 174.900 -0.042 0.000 1.008 177 G CA 0.196 45.261 45.100 -0.059 0.000 1.136 177 G HN 1.017 nan 8.290 nan 0.000 0.444 178 A N 2.837 125.631 122.820 -0.043 0.000 2.708 178 A HA 0.309 4.629 4.320 -0.001 0.000 0.293 178 A C 0.976 178.539 177.584 -0.035 0.000 1.303 178 A CA -0.268 51.747 52.037 -0.036 0.000 0.949 178 A CB 0.127 19.108 19.000 -0.031 0.000 1.121 178 A HN 0.540 nan 8.150 nan 0.000 0.542 179 D N -0.182 120.196 120.400 -0.036 0.000 2.538 179 D HA 0.382 5.022 4.640 -0.001 0.000 0.234 179 D C 0.837 177.122 176.300 -0.025 0.000 1.191 179 D CA 0.498 54.482 54.000 -0.027 0.000 0.828 179 D CB -0.576 40.212 40.800 -0.020 0.000 0.981 179 D HN 0.758 nan 8.370 nan 0.000 0.490 180 G N 1.653 110.434 108.800 -0.031 0.000 2.782 180 G HA2 -0.333 3.627 3.960 -0.001 0.000 0.228 180 G HA3 -0.333 3.627 3.960 -0.001 0.000 0.228 180 G C 0.684 175.565 174.900 -0.031 0.000 1.372 180 G CA -0.107 44.976 45.100 -0.028 0.000 0.862 180 G HN 0.377 nan 8.290 nan 0.000 0.547 181 N N -0.399 118.289 118.700 -0.019 0.000 2.104 181 N HA -0.100 4.640 4.740 -0.001 0.000 0.190 181 N C 1.459 176.964 175.510 -0.008 0.000 1.024 181 N CA 1.502 54.545 53.050 -0.011 0.000 0.853 181 N CB -0.052 38.448 38.487 0.022 0.000 1.008 181 N HN 0.595 nan 8.380 nan 0.000 0.424 182 R N 1.074 121.574 120.500 0.001 0.000 4.390 182 R HA 0.176 4.516 4.340 -0.001 0.000 0.229 182 R C -0.456 175.846 176.300 0.003 0.000 1.674 182 R CA -0.190 55.914 56.100 0.007 0.000 1.526 182 R CB 0.257 30.567 30.300 0.016 0.000 1.418 182 R HN 0.141 nan 8.270 nan 0.000 0.790 183 S N 1.570 117.267 115.700 -0.006 0.000 2.443 183 S HA 0.035 4.504 4.470 -0.001 0.000 0.284 183 S C 1.464 176.075 174.600 0.017 0.000 1.206 183 S CA -0.523 57.674 58.200 -0.005 0.000 1.074 183 S CB 0.456 63.641 63.200 -0.026 0.000 0.963 183 S HN 0.636 nan 8.310 nan 0.000 0.501 184 L N 6.385 127.625 121.223 0.028 0.000 2.051 184 L HA -0.126 4.214 4.340 -0.001 0.000 0.214 184 L C 1.873 178.802 176.870 0.100 0.000 1.076 184 L CA 1.949 56.821 54.840 0.053 0.000 0.758 184 L CB -0.445 41.646 42.059 0.054 0.000 0.890 184 L HN 0.671 nan 8.230 nan 0.000 0.433 185 V N 0.124 120.098 119.914 0.100 0.000 2.223 185 V HA -0.335 3.784 4.120 -0.001 0.000 0.244 185 V C 2.719 178.897 176.094 0.139 0.000 1.045 185 V CA 2.365 64.760 62.300 0.160 0.000 1.000 185 V CB -0.844 30.989 31.823 0.018 0.000 0.635 185 V HN 0.552 nan 8.190 nan 0.000 0.445 186 R N 0.048 120.579 120.500 0.051 0.000 2.096 186 R HA -0.280 4.059 4.340 -0.001 0.000 0.240 186 R C 2.361 178.686 176.300 0.042 0.000 1.139 186 R CA 2.474 58.591 56.100 0.028 0.000 0.952 186 R CB -0.319 29.967 30.300 -0.023 0.000 0.854 186 R HN 0.688 nan 8.270 nan 0.000 0.436 187 E N -0.487 119.735 120.200 0.036 0.000 2.208 187 E HA -0.081 4.269 4.350 -0.001 0.000 0.193 187 E C 1.628 178.242 176.600 0.024 0.000 0.988 187 E CA 1.131 57.546 56.400 0.026 0.000 0.828 187 E CB 0.122 29.834 29.700 0.019 0.000 0.763 187 E HN 0.265 nan 8.360 nan 0.000 0.478 188 S N 0.196 115.922 115.700 0.044 0.000 2.423 188 S HA -0.025 4.445 4.470 -0.001 0.000 0.231 188 S C 1.587 176.176 174.600 -0.019 0.000 1.014 188 S CA 0.590 58.788 58.200 -0.004 0.000 0.965 188 S CB -0.001 63.193 63.200 -0.010 0.000 0.785 188 S HN 0.298 nan 8.310 nan 0.000 0.495 189 L N 0.675 121.932 121.223 0.057 0.000 2.591 189 L HA 0.211 4.550 4.340 -0.001 0.000 0.228 189 L C 1.461 178.345 176.870 0.024 0.000 1.133 189 L CA 0.195 55.068 54.840 0.055 0.000 0.880 189 L CB -0.485 41.642 42.059 0.114 0.000 1.033 189 L HN 0.432 nan 8.230 nan 0.000 0.450 190 G N 1.470 110.279 108.800 0.016 0.000 2.273 190 G HA2 -0.293 3.667 3.960 -0.001 0.000 0.280 190 G HA3 -0.293 3.667 3.960 -0.001 0.000 0.280 190 G C 0.117 175.032 174.900 0.025 0.000 1.047 190 G CA -0.021 45.087 45.100 0.013 0.000 0.869 190 G HN 0.332 nan 8.290 nan 0.000 0.502 191 I N 1.061 121.650 120.570 0.033 0.000 2.342 191 I HA 0.486 4.656 4.170 -0.001 0.000 0.291 191 I C 1.296 177.440 176.117 0.045 0.000 1.010 191 I CA -0.132 61.194 61.300 0.044 0.000 1.308 191 I CB 1.289 39.316 38.000 0.045 0.000 1.400 191 I HN 0.179 nan 8.210 nan 0.000 0.488 192 G N 5.694 114.531 108.800 0.063 0.000 2.528 192 G HA2 0.608 4.567 3.960 -0.001 0.000 0.289 192 G HA3 0.608 4.567 3.960 -0.001 0.000 0.289 192 G C -0.343 174.617 174.900 0.100 0.000 1.192 192 G CA -0.601 44.541 45.100 0.070 0.000 0.921 192 G HN 0.561 nan 8.290 nan 0.000 0.512 193 R N -1.256 119.294 120.500 0.084 0.000 2.782 193 R HA 0.632 4.972 4.340 -0.001 0.000 0.258 193 R C -0.952 175.444 176.300 0.160 0.000 1.055 193 R CA -0.647 55.498 56.100 0.076 0.000 1.065 193 R CB 1.554 31.842 30.300 -0.020 0.000 1.172 193 R HN 0.735 nan 8.270 nan 0.000 0.510 194 Y N -2.543 117.786 120.300 0.048 0.000 2.644 194 Y HA 0.847 5.396 4.550 -0.001 0.000 0.338 194 Y C -0.078 175.857 175.900 0.057 0.000 1.119 194 Y CA -0.767 57.363 58.100 0.050 0.000 1.060 194 Y CB 1.519 40.011 38.460 0.054 0.000 1.294 194 Y HN 0.831 nan 8.280 nan 0.000 0.472 195 G N 0.135 109.031 108.800 0.160 0.000 2.331 195 G HA2 -0.140 3.820 3.960 -0.001 0.000 0.402 195 G HA3 -0.140 3.820 3.960 -0.001 0.000 0.402 195 G C -0.491 174.496 174.900 0.144 0.000 1.275 195 G CA -0.037 45.124 45.100 0.101 0.000 1.003 195 G HN 1.297 nan 8.290 nan 0.000 0.500 196 H N 0.283 119.398 119.070 0.074 0.000 2.457 196 H HA 0.302 4.858 4.556 -0.001 0.000 0.297 196 H C 1.958 177.335 175.328 0.081 0.000 1.092 196 H CA 3.513 59.641 56.048 0.132 0.000 1.309 196 H CB -0.319 29.556 29.762 0.189 0.000 1.382 196 H HN 2.300 nan 8.280 nan 0.000 0.535 197 G N -0.891 107.930 108.800 0.036 0.000 2.553 197 G HA2 -0.319 3.641 3.960 -0.001 0.000 0.242 197 G HA3 -0.319 3.641 3.960 -0.001 0.000 0.242 197 G C -0.055 174.848 174.900 0.006 0.000 1.277 197 G CA -0.086 45.001 45.100 -0.022 0.000 0.910 197 G HN 0.529 nan 8.290 nan 0.000 0.576 198 T N 0.747 115.284 114.554 -0.029 0.000 2.891 198 T HA 0.229 4.579 4.350 -0.001 0.000 0.296 198 T C 1.472 176.206 174.700 0.057 0.000 1.025 198 T CA 1.194 63.274 62.100 -0.034 0.000 1.149 198 T CB 0.910 69.769 68.868 -0.015 0.000 1.007 198 T HN 1.167 nan 8.240 nan 0.000 0.528 199 L N 3.430 124.633 121.223 -0.034 0.000 2.435 199 L HA 0.458 4.797 4.340 -0.001 0.000 0.195 199 L C 0.862 177.674 176.870 -0.096 0.000 1.072 199 L CA 0.988 55.809 54.840 -0.031 0.000 0.833 199 L CB 0.590 42.449 42.059 -0.334 0.000 1.081 199 L HN 0.718 nan 8.230 nan 0.000 0.485 200 T N -1.588 112.822 114.554 -0.240 0.000 2.775 200 T HA 0.341 4.691 4.350 -0.001 0.000 0.320 200 T C -1.793 172.720 174.700 -0.313 0.000 1.597 200 T CA -0.634 61.384 62.100 -0.136 0.000 1.022 200 T CB 0.547 69.366 68.868 -0.082 0.000 1.485 200 T HN 0.299 nan 8.240 nan 0.000 0.494 201 H N 1.356 120.255 119.070 -0.285 0.000 2.569 201 H HA 0.773 5.328 4.556 -0.001 0.000 0.357 201 H C -0.526 174.545 175.328 -0.428 0.000 1.153 201 H CA -0.808 54.986 56.048 -0.424 0.000 1.193 201 H CB 2.214 31.523 29.762 -0.755 0.000 1.602 201 H HN 0.536 nan 8.280 nan 0.000 0.523 202 M N 1.483 121.100 119.600 0.028 0.000 2.578 202 M HA 0.358 4.838 4.480 -0.001 0.000 0.276 202 M C -1.822 174.715 176.300 0.394 0.000 1.245 202 M CA -0.786 54.664 55.300 0.249 0.000 0.871 202 M CB 2.973 35.707 32.600 0.222 0.000 1.722 202 M HN 0.277 nan 8.290 nan 0.000 0.473 203 V N 1.575 121.602 119.914 0.189 0.000 2.487 203 V HA 0.781 4.901 4.120 -0.001 0.000 0.298 203 V C 0.059 176.092 176.094 -0.102 0.000 1.028 203 V CA -0.640 61.607 62.300 -0.087 0.000 0.860 203 V CB 1.729 33.062 31.823 -0.817 0.000 0.991 203 V HN 0.928 nan 8.190 nan 0.000 0.427 204 G N 3.103 111.807 108.800 -0.159 0.000 2.371 204 G HA2 0.629 4.589 3.960 -0.001 0.000 0.326 204 G HA3 0.629 4.589 3.960 -0.001 0.000 0.326 204 G C -1.169 173.486 174.900 -0.408 0.000 1.127 204 G CA -0.452 44.247 45.100 -0.668 0.000 0.885 204 G HN 0.587 nan 8.290 nan 0.000 0.477 205 V N 3.372 123.055 119.914 -0.385 0.000 2.524 205 V HA 0.325 4.444 4.120 -0.001 0.000 0.297 205 V C -0.232 175.811 176.094 -0.086 0.000 1.035 205 V CA -0.545 61.672 62.300 -0.138 0.000 0.867 205 V CB 1.393 33.221 31.823 0.009 0.000 1.004 205 V HN 0.673 nan 8.190 nan 0.000 0.426 206 I N 6.569 127.049 120.570 -0.149 0.000 2.342 206 I HA 0.600 4.770 4.170 -0.001 0.000 0.291 206 I C -0.316 175.795 176.117 -0.011 0.000 1.010 206 I CA -0.147 61.039 61.300 -0.190 0.000 1.308 206 I CB 0.745 38.544 38.000 -0.336 0.000 1.400 206 I HN 0.696 nan 8.210 nan 0.000 0.488 207 F N 3.141 123.059 119.950 -0.052 0.000 2.643 207 F HA 0.706 5.233 4.527 -0.001 0.000 0.314 207 F C -1.438 174.375 175.800 0.021 0.000 1.096 207 F CA -1.225 56.775 58.000 0.000 0.000 0.953 207 F CB 1.078 40.099 39.000 0.034 0.000 1.345 207 F HN 0.160 nan 8.300 nan 0.000 0.468 208 D N 1.035 121.585 120.400 0.249 0.000 2.248 208 D HA 0.783 5.423 4.640 -0.001 0.000 0.246 208 D C -1.108 175.388 176.300 0.327 0.000 1.027 208 D CA -0.144 53.939 54.000 0.138 0.000 0.853 208 D CB 1.955 42.793 40.800 0.063 0.000 1.243 208 D HN 1.043 nan 8.370 nan 0.000 0.462 209 A N 1.475 124.480 122.820 0.309 0.000 2.580 209 A HA 0.343 4.663 4.320 -0.001 0.000 0.301 209 A C -1.622 176.152 177.584 0.315 0.000 1.054 209 A CA -0.856 51.374 52.037 0.322 0.000 0.751 209 A CB 1.238 20.488 19.000 0.415 0.000 1.275 209 A HN 0.368 nan 8.150 nan 0.000 0.403 210 D N 2.189 122.703 120.400 0.189 0.000 2.344 210 D HA 0.331 4.970 4.640 -0.001 0.000 0.253 210 D C 0.267 176.650 176.300 0.139 0.000 1.255 210 D CA -0.186 53.908 54.000 0.157 0.000 0.894 210 D CB 0.687 41.543 40.800 0.093 0.000 1.067 210 D HN 0.239 nan 8.370 nan 0.000 0.492 211 L N 3.303 124.621 121.223 0.158 0.000 2.592 211 L HA 0.058 4.397 4.340 -0.001 0.000 0.227 211 L C 2.311 179.211 176.870 0.050 0.000 1.127 211 L CA 0.360 55.242 54.840 0.071 0.000 0.884 211 L CB -1.038 41.026 42.059 0.008 0.000 1.065 211 L HN 0.374 nan 8.230 nan 0.000 0.457 212 S N 0.020 115.760 115.700 0.067 0.000 2.407 212 S HA -0.222 4.248 4.470 -0.001 0.000 0.235 212 S C 2.060 176.678 174.600 0.030 0.000 1.036 212 S CA 1.713 59.943 58.200 0.050 0.000 1.013 212 S CB -0.153 63.076 63.200 0.049 0.000 0.820 212 S HN 0.590 nan 8.310 nan 0.000 0.476 213 G N 1.024 109.838 108.800 0.023 0.000 2.395 213 G HA2 -0.001 3.958 3.960 -0.001 0.000 0.214 213 G HA3 -0.001 3.958 3.960 -0.001 0.000 0.214 213 G C 1.099 175.997 174.900 -0.004 0.000 1.177 213 G CA 0.931 46.037 45.100 0.010 0.000 0.794 213 G HN 0.691 nan 8.290 nan 0.000 0.532 214 I N -2.598 117.963 120.570 -0.015 0.000 3.941 214 I HA 0.544 4.713 4.170 -0.001 0.000 0.335 214 I C 0.291 176.373 176.117 -0.057 0.000 1.402 214 I CA -0.171 61.105 61.300 -0.039 0.000 1.112 214 I CB 0.594 38.559 38.000 -0.058 0.000 1.043 214 I HN -0.087 nan 8.210 nan 0.000 0.395 215 M N 1.642 121.221 119.600 -0.036 0.000 2.259 215 M HA 0.438 4.917 4.480 -0.001 0.000 0.304 215 M C -0.555 175.744 176.300 -0.003 0.000 1.019 215 M CA -0.346 54.932 55.300 -0.036 0.000 0.922 215 M CB 2.091 34.669 32.600 -0.037 0.000 1.600 215 M HN 0.113 nan 8.290 nan 0.000 0.433 216 E N 4.044 124.245 120.200 0.002 0.000 2.436 216 E HA 0.102 4.452 4.350 -0.001 0.000 0.262 216 E C -2.286 174.332 176.600 0.030 0.000 1.063 216 E CA -1.205 55.204 56.400 0.016 0.000 0.944 216 E CB -0.045 29.666 29.700 0.018 0.000 0.950 216 E HN 0.367 nan 8.360 nan 0.000 0.444 217 P HA -0.050 nan 4.420 nan 0.000 0.269 217 P C 0.277 177.604 177.300 0.045 0.000 1.211 217 P CA 0.702 63.825 63.100 0.038 0.000 0.781 217 P CB 0.317 32.036 31.700 0.032 0.000 0.877 218 G N 0.775 109.606 108.800 0.052 0.000 2.283 218 G HA2 -0.270 3.689 3.960 -0.001 0.000 0.280 218 G HA3 -0.270 3.689 3.960 -0.001 0.000 0.280 218 G C 0.669 175.607 174.900 0.065 0.000 1.029 218 G CA 0.675 45.809 45.100 0.057 0.000 0.840 218 G HN 0.632 nan 8.290 nan 0.000 0.505 219 T N 0.257 114.858 114.554 0.078 0.000 3.182 219 T HA 0.336 4.685 4.350 -0.001 0.000 0.277 219 T C 1.151 175.947 174.700 0.160 0.000 1.013 219 T CA 0.725 62.890 62.100 0.108 0.000 0.900 219 T CB 0.039 68.967 68.868 0.100 0.000 1.098 219 T HN 0.362 nan 8.240 nan 0.000 0.543 220 T N 1.778 116.402 114.554 0.117 0.000 2.901 220 T HA 0.570 4.919 4.350 -0.001 0.000 0.301 220 T C 0.595 175.252 174.700 -0.072 0.000 1.012 220 T CA 0.235 62.407 62.100 0.120 0.000 1.135 220 T CB 0.988 69.934 68.868 0.130 0.000 0.936 220 T HN 0.548 nan 8.240 nan 0.000 0.539 221 G N 1.543 110.274 108.800 -0.115 0.000 2.323 221 G HA2 0.300 4.259 3.960 -0.001 0.000 0.291 221 G HA3 0.300 4.259 3.960 -0.001 0.000 0.291 221 G C -2.099 172.619 174.900 -0.303 0.000 1.278 221 G CA -0.981 43.601 45.100 -0.864 0.000 0.860 221 G HN 0.674 nan 8.290 nan 0.000 0.504 222 W N 0.943 121.819 121.300 -0.706 0.000 2.433 222 W HA 0.721 5.381 4.660 -0.001 0.000 0.315 222 W C -1.660 174.575 176.519 -0.472 0.000 1.087 222 W CA -0.799 56.377 57.345 -0.282 0.000 1.205 222 W CB 1.364 30.743 29.460 -0.135 0.000 1.288 222 W HN 0.436 nan 8.180 nan 0.000 0.504 223 Y N 4.933 124.796 120.300 -0.728 0.000 2.350 223 Y HA 0.232 4.782 4.550 -0.001 0.000 0.338 223 Y C -0.713 174.759 175.900 -0.713 0.000 0.961 223 Y CA -0.896 56.912 58.100 -0.486 0.000 1.100 223 Y CB 1.175 39.522 38.460 -0.188 0.000 1.179 223 Y HN 0.182 nan 8.280 nan 0.000 0.454 224 Y N 3.947 124.215 120.300 -0.054 0.000 2.383 224 Y HA 0.374 4.923 4.550 -0.000 0.000 0.344 224 Y C -0.229 175.648 175.900 -0.038 0.000 0.986 224 Y CA -0.686 57.391 58.100 -0.038 0.000 1.175 224 Y CB 0.407 38.904 38.460 0.062 0.000 1.152 224 Y HN 0.372 nan 8.280 nan 0.000 0.511 225 L N 5.259 126.452 121.223 -0.050 0.000 2.257 225 L HA 0.306 4.645 4.340 -0.001 0.000 0.290 225 L C -0.214 176.430 176.870 -0.377 0.000 1.044 225 L CA -0.351 54.404 54.840 -0.140 0.000 0.810 225 L CB 0.400 42.371 42.059 -0.146 0.000 1.193 225 L HN 0.645 nan 8.230 nan 0.000 0.425 226 H N 2.660 121.693 119.070 -0.061 0.000 2.643 226 H HA 0.214 4.770 4.556 -0.000 0.000 0.259 226 H C -0.885 174.373 175.328 -0.118 0.000 1.298 226 H CA -0.474 55.527 56.048 -0.079 0.000 1.301 226 H CB 0.704 30.446 29.762 -0.033 0.000 1.422 226 H HN 0.553 nan 8.280 nan 0.000 0.521 227 H N 2.993 121.884 119.070 -0.298 0.000 2.463 227 H HA 0.197 4.753 4.556 -0.000 0.000 0.332 227 H C -1.551 173.679 175.328 -0.163 0.000 1.127 227 H CA -1.879 53.976 56.048 -0.323 0.000 1.238 227 H CB 1.743 31.053 29.762 -0.752 0.000 1.478 227 H HN 0.191 nan 8.280 nan 0.000 0.499 228 P HA -0.219 nan 4.420 nan 0.000 0.215 228 P C 0.757 178.069 177.300 0.020 0.000 1.163 228 P CA 1.611 64.582 63.100 -0.214 0.000 0.894 228 P CB 0.352 31.879 31.700 -0.289 0.000 0.791 229 E N -1.507 118.865 120.200 0.287 0.000 2.158 229 E HA -0.005 4.344 4.350 -0.001 0.000 0.191 229 E C 0.753 177.617 176.600 0.440 0.000 0.982 229 E CA 0.690 57.339 56.400 0.415 0.000 0.823 229 E CB -0.028 29.996 29.700 0.540 0.000 0.766 229 E HN 0.407 nan 8.360 nan 0.000 0.468 230 F N -1.212 118.888 119.950 0.250 0.000 2.711 230 F HA 0.620 5.147 4.527 -0.000 0.000 0.313 230 F C -1.110 174.780 175.800 0.151 0.000 1.141 230 F CA -1.466 56.635 58.000 0.169 0.000 0.941 230 F CB 1.419 40.496 39.000 0.128 0.000 1.349 230 F HN -0.478 nan 8.300 nan 0.000 0.464 231 K N 0.870 121.417 120.400 0.245 0.000 2.292 231 K HA 0.797 5.117 4.320 -0.001 0.000 0.257 231 K C -0.412 176.335 176.600 0.244 0.000 0.940 231 K CA -0.514 55.815 56.287 0.070 0.000 0.811 231 K CB 1.898 34.458 32.500 0.100 0.000 1.120 231 K HN 1.107 nan 8.250 nan 0.000 0.428 232 G N 0.431 109.297 108.800 0.110 0.000 2.435 232 G HA2 0.416 4.376 3.960 -0.001 0.000 0.296 232 G HA3 0.416 4.376 3.960 -0.001 0.000 0.296 232 G C -1.353 173.627 174.900 0.133 0.000 1.240 232 G CA -0.443 44.808 45.100 0.252 0.000 0.872 232 G HN 0.600 nan 8.290 nan 0.000 0.480 233 T N -2.796 111.855 114.554 0.161 0.000 2.853 233 T HA 0.715 5.064 4.350 -0.001 0.000 0.311 233 T C -1.713 172.930 174.700 -0.094 0.000 1.307 233 T CA -0.614 61.395 62.100 -0.152 0.000 1.019 233 T CB 2.265 70.978 68.868 -0.258 0.000 1.264 233 T HN 1.774 nan 8.240 nan 0.000 0.497 234 F N 0.175 119.720 119.950 -0.676 0.000 2.604 234 F HA 0.706 5.233 4.527 -0.001 0.000 0.316 234 F C -0.444 175.086 175.800 -0.450 0.000 1.136 234 F CA -0.024 57.763 58.000 -0.354 0.000 0.989 234 F CB 1.591 40.492 39.000 -0.166 0.000 1.258 234 F HN 1.140 nan 8.300 nan 0.000 0.451 235 G N 4.295 112.603 108.800 -0.820 0.000 2.733 235 G HA2 0.756 4.716 3.960 -0.001 0.000 0.288 235 G HA3 0.756 4.716 3.960 -0.001 0.000 0.288 235 G C -3.413 171.299 174.900 -0.315 0.000 1.373 235 G CA -1.817 43.166 45.100 -0.195 0.000 0.895 235 G HN 0.396 nan 8.290 nan 0.000 0.479 236 P HA 0.431 nan 4.420 nan 0.000 0.280 236 P C -0.209 177.141 177.300 0.082 0.000 1.272 236 P CA -0.142 63.025 63.100 0.111 0.000 0.819 236 P CB 1.953 33.796 31.700 0.238 0.000 1.122 237 T N -3.295 111.266 114.554 0.010 0.000 2.724 237 T HA 0.356 4.705 4.350 -0.001 0.000 0.274 237 T C 0.555 175.259 174.700 0.007 0.000 0.984 237 T CA -0.393 61.706 62.100 -0.002 0.000 1.024 237 T CB 0.223 69.048 68.868 -0.072 0.000 1.320 237 T HN 0.339 nan 8.240 nan 0.000 0.555 238 D N -0.877 119.521 120.400 -0.003 0.000 2.355 238 D HA 0.019 4.659 4.640 -0.001 0.000 0.218 238 D C 0.363 176.654 176.300 -0.016 0.000 1.004 238 D CA 0.025 54.024 54.000 -0.001 0.000 0.880 238 D CB -0.041 40.759 40.800 0.001 0.000 0.911 238 D HN 0.343 nan 8.370 nan 0.000 0.528 239 R N 1.168 121.641 120.500 -0.045 0.000 2.294 239 R HA 0.247 4.587 4.340 -0.001 0.000 0.319 239 R C -1.870 174.383 176.300 -0.079 0.000 0.984 239 R CA -1.760 54.305 56.100 -0.058 0.000 0.861 239 R CB 0.924 31.178 30.300 -0.077 0.000 1.104 239 R HN -0.015 nan 8.270 nan 0.000 0.451 240 P HA -0.148 nan 4.420 nan 0.000 0.226 240 P C 0.178 177.457 177.300 -0.035 0.000 1.146 240 P CA 1.258 64.359 63.100 0.002 0.000 0.773 240 P CB 0.241 31.960 31.700 0.033 0.000 0.772 241 D N -2.099 118.220 120.400 -0.136 0.000 2.398 241 D HA 0.048 4.688 4.640 -0.001 0.000 0.210 241 D C 0.613 176.630 176.300 -0.472 0.000 1.094 241 D CA -0.201 53.707 54.000 -0.154 0.000 0.839 241 D CB 0.492 41.267 40.800 -0.040 0.000 0.963 241 D HN 0.126 nan 8.370 nan 0.000 0.506 242 R N 0.675 120.761 120.500 -0.690 0.000 2.480 242 R HA 0.317 4.656 4.340 -0.001 0.000 0.306 242 R C -1.091 174.648 176.300 -0.934 0.000 0.958 242 R CA -0.432 55.232 56.100 -0.726 0.000 0.861 242 R CB 1.349 31.450 30.300 -0.332 0.000 1.171 242 R HN 0.040 nan 8.270 nan 0.000 0.445 243 H N 0.915 119.647 119.070 -0.563 0.000 2.946 243 H HA 0.336 4.892 4.556 -0.001 0.000 0.365 243 H C -0.519 174.321 175.328 -0.813 0.000 1.197 243 H CA -0.811 54.800 56.048 -0.729 0.000 1.131 243 H CB 2.117 31.364 29.762 -0.857 0.000 1.849 243 H HN 0.692 nan 8.280 nan 0.000 0.555 244 T N -0.655 113.615 114.554 -0.474 0.000 2.940 244 T HA 0.628 4.977 4.350 -0.001 0.000 0.288 244 T C -0.534 174.084 174.700 -0.136 0.000 1.033 244 T CA -0.905 61.032 62.100 -0.272 0.000 1.033 244 T CB 1.732 70.578 68.868 -0.036 0.000 1.079 244 T HN 0.347 nan 8.240 nan 0.000 0.496 245 L N 1.566 122.785 121.223 -0.007 0.000 2.505 245 L HA 0.742 5.082 4.340 -0.001 0.000 0.266 245 L C -2.102 174.736 176.870 -0.055 0.000 0.954 245 L CA -0.673 54.279 54.840 0.187 0.000 0.852 245 L CB 1.580 43.880 42.059 0.402 0.000 1.282 245 L HN 0.807 nan 8.230 nan 0.000 0.403 246 F N 4.242 124.295 119.950 0.172 0.000 2.495 246 F HA 0.776 5.303 4.527 -0.001 0.000 0.327 246 F C -0.361 175.552 175.800 0.188 0.000 1.103 246 F CA -0.790 57.312 58.000 0.169 0.000 0.949 246 F CB 2.329 41.456 39.000 0.211 0.000 1.142 246 F HN 0.112 nan 8.300 nan 0.000 0.457 247 V N 2.309 122.413 119.914 0.316 0.000 2.525 247 V HA 0.241 4.361 4.120 -0.001 0.000 0.299 247 V C -0.233 176.089 176.094 0.380 0.000 1.034 247 V CA -1.053 61.458 62.300 0.352 0.000 0.863 247 V CB 1.606 33.591 31.823 0.271 0.000 0.999 247 V HN 0.742 nan 8.190 nan 0.000 0.423 248 E N 3.490 123.930 120.200 0.399 0.000 2.404 248 E HA 0.406 4.755 4.350 -0.001 0.000 0.261 248 E C -1.319 175.555 176.600 0.458 0.000 1.074 248 E CA -0.096 56.504 56.400 0.334 0.000 0.917 248 E CB 0.827 30.695 29.700 0.279 0.000 0.965 248 E HN 0.702 nan 8.360 nan 0.000 0.433 249 Y N 0.015 120.489 120.300 0.290 0.000 2.558 249 Y HA 0.381 4.931 4.550 -0.001 0.000 0.333 249 Y C -1.623 174.403 175.900 0.210 0.000 1.125 249 Y CA -1.447 56.824 58.100 0.285 0.000 1.039 249 Y CB 1.082 39.779 38.460 0.396 0.000 1.331 249 Y HN 0.236 nan 8.280 nan 0.000 0.456 250 D N 4.502 125.084 120.400 0.303 0.000 2.317 250 D HA 0.419 5.058 4.640 -0.001 0.000 0.234 250 D C -2.061 174.352 176.300 0.189 0.000 1.112 250 D CA -2.496 51.598 54.000 0.156 0.000 0.840 250 D CB 2.174 43.060 40.800 0.144 0.000 1.078 250 D HN 0.398 nan 8.370 nan 0.000 0.486 251 P HA 0.013 nan 4.420 nan 0.000 0.224 251 P C 0.524 177.851 177.300 0.046 0.000 1.157 251 P CA 0.478 63.607 63.100 0.048 0.000 0.799 251 P CB 0.559 32.172 31.700 -0.146 0.000 0.809 252 D N -0.392 120.032 120.400 0.039 0.000 2.269 252 D HA -0.124 4.516 4.640 -0.001 0.000 0.208 252 D C 1.600 177.932 176.300 0.054 0.000 0.963 252 D CA 0.942 54.970 54.000 0.046 0.000 0.864 252 D CB -0.242 40.588 40.800 0.050 0.000 0.936 252 D HN 0.186 nan 8.370 nan 0.000 0.505 253 E N -0.170 120.071 120.200 0.070 0.000 2.502 253 E HA 0.120 4.470 4.350 -0.001 0.000 0.194 253 E C 1.157 177.797 176.600 0.067 0.000 1.062 253 E CA 0.552 56.994 56.400 0.069 0.000 0.867 253 E CB -0.184 29.566 29.700 0.083 0.000 0.888 253 E HN 0.231 nan 8.360 nan 0.000 0.510 254 G N 0.224 109.066 108.800 0.070 0.000 2.176 254 G HA2 -0.267 3.692 3.960 -0.001 0.000 0.232 254 G HA3 -0.267 3.692 3.960 -0.001 0.000 0.232 254 G C -0.089 174.850 174.900 0.065 0.000 0.986 254 G CA 0.115 45.249 45.100 0.057 0.000 0.643 254 G HN 0.367 nan 8.290 nan 0.000 0.522 255 E N 0.598 120.864 120.200 0.111 0.000 2.343 255 E HA 0.666 5.016 4.350 -0.001 0.000 0.269 255 E C 0.465 177.123 176.600 0.097 0.000 1.047 255 E CA -0.310 56.157 56.400 0.110 0.000 0.874 255 E CB 0.796 30.626 29.700 0.217 0.000 1.033 255 E HN 0.195 nan 8.360 nan 0.000 0.409 256 R N 1.874 122.340 120.500 -0.056 0.000 2.836 256 R HA 0.234 4.574 4.340 -0.001 0.000 0.269 256 R C -2.114 174.050 176.300 -0.226 0.000 1.010 256 R CA -2.022 54.015 56.100 -0.105 0.000 0.930 256 R CB 0.757 31.053 30.300 -0.007 0.000 1.218 256 R HN 0.274 nan 8.270 nan 0.000 0.473 257 P HA -0.150 nan 4.420 nan 0.000 0.216 257 P C 0.693 178.034 177.300 0.069 0.000 1.150 257 P CA 1.208 64.259 63.100 -0.081 0.000 0.837 257 P CB 0.331 32.030 31.700 -0.003 0.000 0.786 258 E N 0.129 120.347 120.200 0.031 0.000 2.219 258 E HA -0.214 4.136 4.350 -0.001 0.000 0.198 258 E C 1.082 177.690 176.600 0.013 0.000 0.998 258 E CA 1.183 57.600 56.400 0.028 0.000 0.818 258 E CB -1.278 28.431 29.700 0.015 0.000 0.741 258 E HN 0.388 nan 8.360 nan 0.000 0.477 259 D N 0.114 120.503 120.400 -0.018 0.000 2.312 259 D HA -0.062 4.577 4.640 -0.001 0.000 0.211 259 D C 0.115 176.286 176.300 -0.214 0.000 0.964 259 D CA 0.403 54.322 54.000 -0.135 0.000 0.877 259 D CB -0.349 40.292 40.800 -0.264 0.000 0.924 259 D HN 0.174 nan 8.370 nan 0.000 0.515 260 F N 2.026 121.908 119.950 -0.113 0.000 2.626 260 F HA 0.125 4.651 4.527 -0.001 0.000 0.353 260 F C 1.148 176.904 175.800 -0.073 0.000 1.230 260 F CA -0.545 57.397 58.000 -0.098 0.000 1.298 260 F CB -0.452 38.487 39.000 -0.102 0.000 1.670 260 F HN -0.281 nan 8.300 nan 0.000 0.633 261 T N -0.889 113.675 114.554 0.016 0.000 2.813 261 T HA 0.114 4.464 4.350 -0.001 0.000 0.297 261 T C -1.570 173.135 174.700 0.007 0.000 1.036 261 T CA -1.635 60.468 62.100 0.005 0.000 1.044 261 T CB 0.951 69.800 68.868 -0.032 0.000 0.993 261 T HN 0.080 nan 8.240 nan 0.000 0.535 262 P HA -0.163 nan 4.420 nan 0.000 0.218 262 P C 1.752 179.033 177.300 -0.032 0.000 1.146 262 P CA 1.140 64.236 63.100 -0.007 0.000 0.820 262 P CB 0.041 31.737 31.700 -0.007 0.000 0.778 263 Q N -0.942 118.834 119.800 -0.041 0.000 1.946 263 Q HA -0.136 4.203 4.340 -0.001 0.000 0.199 263 Q C 2.319 178.269 176.000 -0.084 0.000 0.979 263 Q CA 1.305 57.072 55.803 -0.060 0.000 0.834 263 Q CB -1.008 27.694 28.738 -0.060 0.000 0.899 263 Q HN 0.061 nan 8.270 nan 0.000 0.431 264 R N 0.691 121.130 120.500 -0.101 0.000 2.140 264 R HA -0.158 4.181 4.340 -0.001 0.000 0.250 264 R C 2.374 178.603 176.300 -0.118 0.000 1.150 264 R CA 1.964 57.975 56.100 -0.148 0.000 0.966 264 R CB -1.048 29.106 30.300 -0.243 0.000 0.869 264 R HN 0.336 nan 8.270 nan 0.000 0.445 265 C N -1.424 117.844 119.300 -0.054 0.000 2.436 265 C HA -0.044 4.416 4.460 -0.001 0.000 0.277 265 C C 2.640 177.544 174.990 -0.143 0.000 1.241 265 C CA 0.942 59.934 59.018 -0.045 0.000 1.721 265 C CB -0.808 26.930 27.740 -0.003 0.000 2.043 265 C HN 0.369 nan 8.230 nan 0.000 0.472 266 V N 0.987 120.819 119.914 -0.137 0.000 2.490 266 V HA -0.224 3.895 4.120 -0.001 0.000 0.250 266 V C 2.340 178.324 176.094 -0.182 0.000 1.061 266 V CA 2.372 64.566 62.300 -0.176 0.000 1.064 266 V CB -0.802 30.949 31.823 -0.121 0.000 0.670 266 V HN 0.667 nan 8.190 nan 0.000 0.461 267 E N 0.626 120.733 120.200 -0.154 0.000 2.017 267 E HA -0.218 4.132 4.350 -0.001 0.000 0.193 267 E C 2.138 178.617 176.600 -0.202 0.000 0.997 267 E CA 1.640 57.950 56.400 -0.151 0.000 0.804 267 E CB -0.359 29.264 29.700 -0.129 0.000 0.757 267 E HN 0.526 nan 8.360 nan 0.000 0.448 268 L N 0.492 121.560 121.223 -0.257 0.000 2.081 268 L HA -0.203 4.137 4.340 -0.001 0.000 0.212 268 L C 2.614 179.249 176.870 -0.392 0.000 1.080 268 L CA 1.129 55.719 54.840 -0.418 0.000 0.754 268 L CB -0.405 41.382 42.059 -0.453 0.000 0.893 268 L HN 0.301 nan 8.230 nan 0.000 0.433 269 I N -0.424 119.950 120.570 -0.326 0.000 2.286 269 I HA -0.212 3.957 4.170 -0.001 0.000 0.248 269 I C 2.581 178.526 176.117 -0.286 0.000 1.115 269 I CA 1.407 62.489 61.300 -0.362 0.000 1.392 269 I CB -0.704 36.940 38.000 -0.593 0.000 1.065 269 I HN 0.283 nan 8.210 nan 0.000 0.418 270 G N 0.859 109.520 108.800 -0.232 0.000 2.418 270 G HA2 -0.175 3.785 3.960 -0.001 0.000 0.217 270 G HA3 -0.175 3.785 3.960 -0.001 0.000 0.217 270 G C 1.669 176.488 174.900 -0.136 0.000 1.158 270 G CA 0.480 45.481 45.100 -0.164 0.000 0.771 270 G HN 0.258 nan 8.290 nan 0.000 0.545 271 L N 0.630 121.765 121.223 -0.148 0.000 2.027 271 L HA -0.029 4.311 4.340 -0.001 0.000 0.206 271 L C 3.405 180.203 176.870 -0.120 0.000 1.074 271 L CA 1.087 55.854 54.840 -0.121 0.000 0.745 271 L CB -0.553 41.399 42.059 -0.178 0.000 0.898 271 L HN 0.293 nan 8.230 nan 0.000 0.433 272 A N -0.113 122.646 122.820 -0.102 0.000 1.972 272 A HA -0.123 4.197 4.320 -0.001 0.000 0.219 272 A C 2.208 179.652 177.584 -0.233 0.000 1.169 272 A CA 1.422 53.433 52.037 -0.043 0.000 0.635 272 A CB -0.503 18.501 19.000 0.006 0.000 0.810 272 A HN 0.405 nan 8.150 nan 0.000 0.446 273 L N -1.832 119.236 121.223 -0.258 0.000 2.416 273 L HA 0.034 4.374 4.340 -0.001 0.000 0.216 273 L C 0.517 177.279 176.870 -0.180 0.000 1.098 273 L CA 0.487 55.149 54.840 -0.296 0.000 0.840 273 L CB -0.098 41.793 42.059 -0.280 0.000 0.981 273 L HN 0.362 nan 8.230 nan 0.000 0.462 274 D N 1.045 121.379 120.400 -0.109 0.000 2.699 274 D HA -0.180 4.459 4.640 -0.001 0.000 0.239 274 D C -0.299 175.961 176.300 -0.066 0.000 1.136 274 D CA 0.882 54.849 54.000 -0.055 0.000 0.668 274 D CB -0.527 40.254 40.800 -0.031 0.000 1.060 274 D HN 0.370 nan 8.370 nan 0.000 0.429 275 A N 0.392 123.165 122.820 -0.079 0.000 2.497 275 A HA 0.614 4.934 4.320 -0.001 0.000 0.280 275 A C -2.442 175.101 177.584 -0.068 0.000 1.065 275 A CA -0.964 51.033 52.037 -0.068 0.000 0.781 275 A CB 1.817 20.771 19.000 -0.077 0.000 1.289 275 A HN 0.002 nan 8.150 nan 0.000 0.415 276 P HA 0.154 nan 4.420 nan 0.000 0.266 276 P C 0.692 177.968 177.300 -0.040 0.000 1.381 276 P CA 0.221 63.290 63.100 -0.050 0.000 0.940 276 P CB 0.546 32.221 31.700 -0.041 0.000 1.435 277 E N 0.753 120.932 120.200 -0.034 0.000 2.472 277 E HA -0.040 4.310 4.350 -0.001 0.000 0.200 277 E C 0.366 176.953 176.600 -0.023 0.000 1.046 277 E CA 0.078 56.464 56.400 -0.024 0.000 0.871 277 E CB -0.196 29.494 29.700 -0.017 0.000 0.806 277 E HN 0.068 nan 8.360 nan 0.000 0.533 278 V N 0.353 120.244 119.914 -0.038 0.000 2.439 278 V HA 0.224 4.344 4.120 -0.001 0.000 0.271 278 V C -0.571 175.499 176.094 -0.040 0.000 1.040 278 V CA -0.566 61.712 62.300 -0.037 0.000 1.002 278 V CB 0.846 32.626 31.823 -0.071 0.000 1.000 278 V HN 0.024 nan 8.190 nan 0.000 0.477 279 K N 6.709 127.101 120.400 -0.013 0.000 2.404 279 K HA 0.559 4.879 4.320 -0.001 0.000 0.257 279 K C -2.705 173.903 176.600 0.012 0.000 1.026 279 K CA -1.469 54.810 56.287 -0.012 0.000 0.951 279 K CB 1.383 33.883 32.500 -0.001 0.000 1.203 279 K HN 0.572 nan 8.250 nan 0.000 0.446 280 P HA 0.193 nan 4.420 nan 0.000 0.278 280 P C -0.818 176.522 177.300 0.067 0.000 1.258 280 P CA -0.538 62.592 63.100 0.050 0.000 0.811 280 P CB 0.866 32.503 31.700 -0.105 0.000 1.063 281 E N 1.322 121.599 120.200 0.129 0.000 2.155 281 E HA 0.321 4.670 4.350 -0.001 0.000 0.264 281 E C -0.409 176.268 176.600 0.128 0.000 0.886 281 E CA -0.585 55.872 56.400 0.095 0.000 0.752 281 E CB 1.233 30.978 29.700 0.076 0.000 1.133 281 E HN 0.387 nan 8.360 nan 0.000 0.414 282 L N 2.799 124.077 121.223 0.091 0.000 2.361 282 L HA 0.130 4.469 4.340 -0.001 0.000 0.278 282 L C 1.463 178.377 176.870 0.074 0.000 1.113 282 L CA -0.340 54.559 54.840 0.098 0.000 0.849 282 L CB 0.558 42.648 42.059 0.052 0.000 1.155 282 L HN 0.317 nan 8.230 nan 0.000 0.452 283 V N 1.302 121.256 119.914 0.066 0.000 2.374 283 V HA 0.021 4.140 4.120 -0.001 0.000 0.241 283 V C 0.202 176.324 176.094 0.046 0.000 1.034 283 V CA 1.282 63.613 62.300 0.051 0.000 1.037 283 V CB -0.036 31.803 31.823 0.027 0.000 0.682 283 V HN 0.872 nan 8.190 nan 0.000 0.463 284 D N -1.777 118.608 120.400 -0.025 0.000 2.927 284 D HA 0.482 5.122 4.640 -0.001 0.000 0.219 284 D C -1.379 174.879 176.300 -0.069 0.000 1.248 284 D CA -0.289 53.686 54.000 -0.042 0.000 0.861 284 D CB 1.679 42.376 40.800 -0.171 0.000 1.677 284 D HN 0.093 nan 8.370 nan 0.000 0.511 285 I N 2.859 123.411 120.570 -0.031 0.000 2.420 285 I HA 0.354 4.524 4.170 -0.001 0.000 0.282 285 I C -0.862 175.236 176.117 -0.030 0.000 1.019 285 I CA -0.619 60.656 61.300 -0.042 0.000 1.130 285 I CB 1.663 39.662 38.000 -0.002 0.000 1.262 285 I HN 0.158 nan 8.210 nan 0.000 0.454 286 Q N 4.501 124.270 119.800 -0.051 0.000 2.337 286 Q HA 0.657 4.997 4.340 -0.001 0.000 0.270 286 Q C -0.446 175.591 176.000 0.062 0.000 1.043 286 Q CA -0.530 55.278 55.803 0.008 0.000 0.794 286 Q CB 2.295 31.036 28.738 0.005 0.000 1.281 286 Q HN 0.693 nan 8.270 nan 0.000 0.446 287 G N 2.074 110.942 108.800 0.114 0.000 2.444 287 G HA2 0.434 4.394 3.960 -0.001 0.000 0.268 287 G HA3 0.434 4.394 3.960 -0.001 0.000 0.268 287 G C -1.671 173.441 174.900 0.353 0.000 1.203 287 G CA -0.182 45.062 45.100 0.241 0.000 0.835 287 G HN 0.491 nan 8.290 nan 0.000 0.543 288 W N 1.807 123.228 121.300 0.201 0.000 3.097 288 W HA 0.470 5.130 4.660 -0.000 0.000 0.335 288 W C -0.972 175.596 176.519 0.082 0.000 1.114 288 W CA -1.560 55.871 57.345 0.143 0.000 1.231 288 W CB 1.486 31.048 29.460 0.170 0.000 1.388 288 W HN 0.543 nan 8.180 nan 0.000 0.485 289 E N 5.829 126.235 120.200 0.344 0.000 2.109 289 E HA 0.388 4.738 4.350 -0.001 0.000 0.278 289 E C -0.836 175.599 176.600 -0.274 0.000 0.954 289 E CA -0.418 55.889 56.400 -0.154 0.000 0.779 289 E CB 0.866 30.479 29.700 -0.146 0.000 1.093 289 E HN 0.498 nan 8.360 nan 0.000 0.401 290 M N 3.051 122.311 119.600 -0.567 0.000 2.277 290 M HA 0.518 4.997 4.480 -0.001 0.000 0.350 290 M C -0.386 175.692 176.300 -0.370 0.000 1.180 290 M CA -0.113 54.825 55.300 -0.603 0.000 1.103 290 M CB 1.840 33.979 32.600 -0.769 0.000 1.577 290 M HN 0.662 nan 8.290 nan 0.000 0.459 291 A N 1.748 124.414 122.820 -0.257 0.000 2.568 291 A HA 0.964 5.284 4.320 -0.001 0.000 0.291 291 A C -1.892 175.609 177.584 -0.138 0.000 1.159 291 A CA -0.751 51.195 52.037 -0.151 0.000 0.679 291 A CB 1.228 20.179 19.000 -0.081 0.000 1.285 291 A HN 0.838 nan 8.150 nan 0.000 0.428 292 A N 0.812 123.584 122.820 -0.081 0.000 2.375 292 A HA 0.750 5.070 4.320 -0.001 0.000 0.291 292 A C -0.507 177.030 177.584 -0.079 0.000 1.160 292 A CA -0.520 51.460 52.037 -0.095 0.000 0.747 292 A CB 0.623 19.556 19.000 -0.113 0.000 1.170 292 A HN 0.727 nan 8.150 nan 0.000 0.458 293 R N 2.376 122.810 120.500 -0.111 0.000 2.564 293 R HA 0.621 4.960 4.340 -0.001 0.000 0.284 293 R C -1.594 174.579 176.300 -0.212 0.000 1.031 293 R CA -0.544 55.469 56.100 -0.147 0.000 0.904 293 R CB 2.067 32.315 30.300 -0.087 0.000 1.199 293 R HN 0.600 nan 8.270 nan 0.000 0.443 294 I N 1.927 122.269 120.570 -0.381 0.000 2.436 294 I HA 0.366 4.536 4.170 -0.001 0.000 0.289 294 I C 0.387 176.387 176.117 -0.195 0.000 1.010 294 I CA -0.992 60.093 61.300 -0.357 0.000 1.098 294 I CB 2.057 39.734 38.000 -0.538 0.000 1.266 294 I HN 0.711 nan 8.210 nan 0.000 0.434 295 A N 4.857 127.629 122.820 -0.081 0.000 2.540 295 A HA 0.082 4.401 4.320 -0.001 0.000 0.239 295 A C 0.918 178.711 177.584 0.348 0.000 1.061 295 A CA 0.100 52.150 52.037 0.022 0.000 0.758 295 A CB 0.010 18.875 19.000 -0.225 0.000 0.991 295 A HN 0.885 nan 8.150 nan 0.000 0.502 296 E N 0.981 121.388 120.200 0.345 0.000 2.482 296 E HA 0.014 4.363 4.350 -0.001 0.000 0.196 296 E C 0.329 177.110 176.600 0.302 0.000 1.047 296 E CA 0.668 57.293 56.400 0.375 0.000 0.869 296 E CB 0.124 29.959 29.700 0.224 0.000 0.836 296 E HN 0.607 nan 8.360 nan 0.000 0.520 297 R N -0.916 119.779 120.500 0.324 0.000 2.698 297 R HA 0.224 4.564 4.340 -0.001 0.000 0.275 297 R C -1.215 175.353 176.300 0.446 0.000 1.001 297 R CA -0.615 55.683 56.100 0.330 0.000 0.896 297 R CB 1.022 31.420 30.300 0.163 0.000 1.218 297 R HN 0.037 nan 8.270 nan 0.000 0.462 298 W N 1.720 123.044 121.300 0.041 0.000 2.991 298 W HA 0.370 5.029 4.660 -0.001 0.000 0.391 298 W C -0.008 176.602 176.519 0.153 0.000 1.054 298 W CA -0.199 57.210 57.345 0.108 0.000 1.856 298 W CB 0.613 30.099 29.460 0.043 0.000 1.132 298 W HN 0.217 nan 8.180 nan 0.000 0.601 299 R N 0.925 121.525 120.500 0.166 0.000 2.808 299 R HA 0.118 4.458 4.340 -0.001 0.000 0.254 299 R C -1.669 174.554 176.300 -0.130 0.000 1.145 299 R CA -0.205 55.802 56.100 -0.155 0.000 1.066 299 R CB 1.012 31.175 30.300 -0.229 0.000 1.268 299 R HN 0.019 nan 8.270 nan 0.000 0.447 300 E N 2.581 122.670 120.200 -0.184 0.000 2.279 300 E HA 0.352 4.702 4.350 -0.001 0.000 0.252 300 E C 0.352 176.869 176.600 -0.139 0.000 0.894 300 E CA 0.370 56.709 56.400 -0.102 0.000 0.785 300 E CB 1.606 31.294 29.700 -0.020 0.000 1.237 300 E HN 0.909 nan 8.360 nan 0.000 0.418 301 G N 4.321 113.047 108.800 -0.122 0.000 3.099 301 G HA2 -0.402 3.558 3.960 -0.001 0.000 0.331 301 G HA3 -0.402 3.558 3.960 -0.001 0.000 0.331 301 G C 0.810 175.625 174.900 -0.142 0.000 1.216 301 G CA 0.717 45.761 45.100 -0.094 0.000 0.977 301 G HN 0.580 nan 8.290 nan 0.000 0.600 302 R N -0.473 119.950 120.500 -0.129 0.000 2.535 302 R HA 0.474 4.813 4.340 -0.001 0.000 0.323 302 R C -0.184 176.096 176.300 -0.034 0.000 0.979 302 R CA 0.061 56.130 56.100 -0.052 0.000 1.120 302 R CB 1.163 31.358 30.300 -0.174 0.000 1.306 302 R HN 0.299 nan 8.270 nan 0.000 0.540 303 V N 1.345 121.131 119.914 -0.213 0.000 2.472 303 V HA 0.444 4.564 4.120 -0.001 0.000 0.290 303 V C -0.514 175.382 176.094 -0.330 0.000 1.037 303 V CA -0.370 61.811 62.300 -0.198 0.000 0.908 303 V CB 1.372 33.058 31.823 -0.229 0.000 0.985 303 V HN -0.024 nan 8.190 nan 0.000 0.454 304 F N 3.524 123.448 119.950 -0.045 0.000 2.563 304 F HA 0.690 5.217 4.527 -0.001 0.000 0.316 304 F C -0.118 175.675 175.800 -0.011 0.000 1.076 304 F CA -0.702 57.306 58.000 0.014 0.000 0.921 304 F CB 1.829 40.786 39.000 -0.071 0.000 1.209 304 F HN 0.201 nan 8.300 nan 0.000 0.462 305 L N 2.269 123.632 121.223 0.232 0.000 2.334 305 L HA 0.962 5.301 4.340 -0.001 0.000 0.272 305 L C -0.417 176.524 176.870 0.118 0.000 1.020 305 L CA -0.952 53.907 54.840 0.032 0.000 0.812 305 L CB 1.736 43.684 42.059 -0.184 0.000 1.264 305 L HN 0.744 nan 8.230 nan 0.000 0.439 306 A N 0.683 123.499 122.820 -0.006 0.000 2.574 306 A HA 0.817 5.137 4.320 -0.001 0.000 0.297 306 A C -0.101 177.451 177.584 -0.054 0.000 1.062 306 A CA 0.096 52.176 52.037 0.071 0.000 0.686 306 A CB 1.367 20.420 19.000 0.089 0.000 1.285 306 A HN 1.105 nan 8.150 nan 0.000 0.403 307 G N 1.244 110.025 108.800 -0.031 0.000 2.525 307 G HA2 -0.188 3.772 3.960 -0.001 0.000 0.248 307 G HA3 -0.188 3.772 3.960 -0.001 0.000 0.248 307 G C 0.374 175.218 174.900 -0.094 0.000 1.238 307 G CA 0.919 46.001 45.100 -0.031 0.000 0.926 307 G HN 0.903 nan 8.290 nan 0.000 0.574 308 D N 0.622 120.986 120.400 -0.060 0.000 2.182 308 D HA 0.100 4.739 4.640 -0.001 0.000 0.201 308 D C 2.745 178.978 176.300 -0.111 0.000 0.986 308 D CA 2.412 56.374 54.000 -0.063 0.000 0.847 308 D CB -0.648 40.139 40.800 -0.021 0.000 0.942 308 D HN 0.924 nan 8.370 nan 0.000 0.467 309 A N 0.436 123.182 122.820 -0.125 0.000 1.978 309 A HA -0.044 4.275 4.320 -0.001 0.000 0.220 309 A C 2.195 179.623 177.584 -0.261 0.000 1.170 309 A CA 2.081 54.030 52.037 -0.146 0.000 0.636 309 A CB -0.446 18.486 19.000 -0.114 0.000 0.810 309 A HN 0.256 nan 8.150 nan 0.000 0.448 310 A N -1.124 121.437 122.820 -0.432 0.000 2.095 310 A HA 0.386 4.706 4.320 -0.001 0.000 0.212 310 A C 0.764 177.975 177.584 -0.621 0.000 1.162 310 A CA 1.257 52.777 52.037 -0.863 0.000 0.753 310 A CB 0.039 17.973 19.000 -1.777 0.000 0.840 310 A HN 0.673 nan 8.150 nan 0.000 0.468 311 K N -1.849 118.350 120.400 -0.335 0.000 2.580 311 K HA 0.514 4.834 4.320 -0.001 0.000 0.258 311 K C -1.799 174.746 176.600 -0.092 0.000 0.936 311 K CA -0.451 55.739 56.287 -0.162 0.000 0.852 311 K CB 0.905 33.384 32.500 -0.036 0.000 1.329 311 K HN -0.091 nan 8.250 nan 0.000 0.430 312 V N 2.648 122.517 119.914 -0.074 0.000 2.459 312 V HA 0.659 4.779 4.120 -0.001 0.000 0.295 312 V C -0.385 175.679 176.094 -0.051 0.000 1.029 312 V CA -0.373 61.908 62.300 -0.032 0.000 0.874 312 V CB 1.645 33.462 31.823 -0.011 0.000 0.985 312 V HN 0.925 nan 8.190 nan 0.000 0.438 313 T N 5.819 120.351 114.554 -0.037 0.000 2.942 313 T HA 0.614 4.963 4.350 -0.001 0.000 0.289 313 T C -2.805 171.829 174.700 -0.111 0.000 1.044 313 T CA -2.111 59.941 62.100 -0.080 0.000 1.023 313 T CB 2.132 70.966 68.868 -0.056 0.000 1.123 313 T HN 0.412 nan 8.240 nan 0.000 0.512 314 P HA 0.218 nan 4.420 nan 0.000 0.271 314 P C -1.947 175.253 177.300 -0.168 0.000 1.218 314 P CA -1.251 61.689 63.100 -0.266 0.000 0.780 314 P CB 0.296 31.788 31.700 -0.347 0.000 0.901 315 P HA -0.082 nan 4.420 nan 0.000 0.230 315 P C 0.011 177.287 177.300 -0.040 0.000 1.158 315 P CA 0.951 64.001 63.100 -0.083 0.000 0.769 315 P CB -0.628 30.985 31.700 -0.146 0.000 0.807 316 T N -1.859 112.677 114.554 -0.031 0.000 2.871 316 T HA 0.372 4.722 4.350 -0.001 0.000 0.296 316 T C 1.342 176.091 174.700 0.082 0.000 0.998 316 T CA 0.393 62.541 62.100 0.079 0.000 1.162 316 T CB -0.124 68.814 68.868 0.116 0.000 0.947 316 T HN 0.334 nan 8.240 nan 0.000 0.536 317 G N 2.088 110.953 108.800 0.108 0.000 2.159 317 G HA2 0.170 4.130 3.960 -0.001 0.000 0.227 317 G HA3 0.170 4.130 3.960 -0.001 0.000 0.227 317 G C 0.814 175.842 174.900 0.213 0.000 0.986 317 G CA 0.058 45.252 45.100 0.156 0.000 0.651 317 G HN 2.234 nan 8.290 nan 0.000 0.523 318 G N -0.466 108.380 108.800 0.076 0.000 2.371 318 G HA2 -0.139 3.820 3.960 -0.001 0.000 0.299 318 G HA3 -0.139 3.820 3.960 -0.001 0.000 0.299 318 G C 0.740 175.711 174.900 0.119 0.000 1.014 318 G CA 1.223 46.359 45.100 0.060 0.000 1.097 318 G HN 1.114 nan 8.290 nan 0.000 0.512 319 M N -0.395 119.255 119.600 0.083 0.000 2.292 319 M HA 0.115 4.594 4.480 -0.001 0.000 0.286 319 M C 2.289 178.605 176.300 0.026 0.000 1.002 319 M CA 0.550 55.878 55.300 0.047 0.000 1.029 319 M CB 0.432 33.052 32.600 0.034 0.000 1.537 319 M HN 0.215 nan 8.290 nan 0.000 0.543 320 S N 1.180 116.905 115.700 0.042 0.000 2.353 320 S HA -0.099 4.371 4.470 -0.001 0.000 0.222 320 S C 1.977 176.602 174.600 0.041 0.000 1.035 320 S CA 1.904 60.135 58.200 0.051 0.000 1.025 320 S CB -0.576 62.682 63.200 0.097 0.000 0.902 320 S HN 0.685 nan 8.310 nan 0.000 0.440 321 G N 2.005 110.828 108.800 0.039 0.000 2.408 321 G HA2 -0.124 3.835 3.960 -0.001 0.000 0.215 321 G HA3 -0.124 3.835 3.960 -0.001 0.000 0.215 321 G C 1.307 176.222 174.900 0.025 0.000 1.156 321 G CA 0.273 45.393 45.100 0.034 0.000 0.793 321 G HN 0.404 nan 8.290 nan 0.000 0.535 322 N N 1.240 119.944 118.700 0.006 0.000 2.166 322 N HA -0.111 4.628 4.740 -0.001 0.000 0.186 322 N C 2.532 178.030 175.510 -0.020 0.000 1.019 322 N CA 1.208 54.243 53.050 -0.025 0.000 0.856 322 N CB -0.171 38.273 38.487 -0.071 0.000 0.993 322 N HN 0.317 nan 8.380 nan 0.000 0.426 323 A N 1.220 124.035 122.820 -0.008 0.000 1.898 323 A HA 0.070 4.390 4.320 -0.001 0.000 0.216 323 A C 2.419 180.034 177.584 0.052 0.000 1.181 323 A CA 1.625 53.666 52.037 0.006 0.000 0.620 323 A CB -0.663 18.344 19.000 0.013 0.000 0.819 323 A HN 0.306 nan 8.150 nan 0.000 0.442 324 A N -0.449 122.403 122.820 0.053 0.000 1.908 324 A HA -0.040 4.280 4.320 -0.001 0.000 0.218 324 A C 2.235 179.880 177.584 0.102 0.000 1.181 324 A CA 1.874 53.953 52.037 0.071 0.000 0.627 324 A CB -1.001 18.029 19.000 0.050 0.000 0.818 324 A HN 0.386 nan 8.150 nan 0.000 0.445 325 V N -0.241 119.732 119.914 0.098 0.000 2.295 325 V HA -0.264 3.855 4.120 -0.001 0.000 0.246 325 V C 3.053 179.255 176.094 0.180 0.000 1.049 325 V CA 2.078 64.470 62.300 0.153 0.000 1.024 325 V CB -1.179 30.723 31.823 0.133 0.000 0.648 325 V HN 0.631 nan 8.190 nan 0.000 0.447 326 A N -0.330 122.552 122.820 0.103 0.000 1.930 326 A HA -0.217 4.103 4.320 -0.001 0.000 0.217 326 A C 1.974 179.663 177.584 0.175 0.000 1.175 326 A CA 1.796 53.885 52.037 0.087 0.000 0.627 326 A CB -0.598 18.392 19.000 -0.017 0.000 0.815 326 A HN 0.536 nan 8.150 nan 0.000 0.443 327 D N -0.035 120.478 120.400 0.189 0.000 2.123 327 D HA -0.113 4.527 4.640 -0.001 0.000 0.196 327 D C 2.038 178.494 176.300 0.259 0.000 0.992 327 D CA 1.547 55.730 54.000 0.305 0.000 0.833 327 D CB -0.718 40.285 40.800 0.338 0.000 0.954 327 D HN 0.443 nan 8.370 nan 0.000 0.455 328 G N -0.095 108.817 108.800 0.187 0.000 2.402 328 G HA2 -0.267 3.693 3.960 -0.001 0.000 0.216 328 G HA3 -0.267 3.693 3.960 -0.001 0.000 0.216 328 G C 1.521 176.484 174.900 0.106 0.000 1.162 328 G CA 0.216 45.396 45.100 0.132 0.000 0.777 328 G HN 0.273 nan 8.290 nan 0.000 0.539 329 F N 1.367 121.294 119.950 -0.038 0.000 2.171 329 F HA -0.052 4.475 4.527 -0.001 0.000 0.300 329 F C 2.146 177.915 175.800 -0.052 0.000 1.090 329 F CA 1.927 59.748 58.000 -0.298 0.000 1.293 329 F CB 0.032 38.756 39.000 -0.460 0.000 1.013 329 F HN 0.259 nan 8.300 nan 0.000 0.486 330 D N -0.205 120.345 120.400 0.250 0.000 2.110 330 D HA -0.166 4.473 4.640 -0.001 0.000 0.202 330 D C 2.144 178.291 176.300 -0.256 0.000 0.975 330 D CA 1.053 55.173 54.000 0.200 0.000 0.839 330 D CB -0.275 40.692 40.800 0.279 0.000 0.996 330 D HN 0.189 nan 8.370 nan 0.000 0.464 331 L N 0.834 121.871 121.223 -0.310 0.000 2.013 331 L HA -0.114 4.226 4.340 -0.001 0.000 0.212 331 L C 2.200 178.716 176.870 -0.590 0.000 1.073 331 L CA 2.196 56.603 54.840 -0.722 0.000 0.753 331 L CB -1.254 40.305 42.059 -0.833 0.000 0.890 331 L HN 0.147 nan 8.230 nan 0.000 0.432 332 A N 0.137 122.727 122.820 -0.383 0.000 1.849 332 A HA -0.291 4.029 4.320 -0.001 0.000 0.217 332 A C 2.206 179.611 177.584 -0.298 0.000 1.202 332 A CA 2.598 54.455 52.037 -0.301 0.000 0.629 332 A CB -1.605 17.296 19.000 -0.166 0.000 0.834 332 A HN 0.783 nan 8.150 nan 0.000 0.447 333 W N 0.441 121.494 121.300 -0.412 0.000 2.363 333 W HA -0.126 4.534 4.660 -0.001 0.000 0.296 333 W C 1.522 177.925 176.519 -0.192 0.000 1.212 333 W CA 1.358 58.514 57.345 -0.316 0.000 1.260 333 W CB -0.685 28.543 29.460 -0.388 0.000 1.131 333 W HN 0.312 nan 8.180 nan 0.000 0.530 334 K N 1.047 120.832 120.400 -1.024 0.000 2.026 334 K HA -0.115 4.205 4.320 -0.001 0.000 0.208 334 K C 2.368 178.661 176.600 -0.511 0.000 1.048 334 K CA 1.762 57.504 56.287 -0.910 0.000 0.929 334 K CB -0.609 31.272 32.500 -1.032 0.000 0.713 334 K HN 0.168 nan 8.250 nan 0.000 0.439 335 L N 0.738 121.627 121.223 -0.557 0.000 2.079 335 L HA -0.225 4.115 4.340 -0.001 0.000 0.210 335 L C 2.588 179.276 176.870 -0.303 0.000 1.081 335 L CA 1.093 55.616 54.840 -0.530 0.000 0.752 335 L CB -0.505 41.152 42.059 -0.669 0.000 0.896 335 L HN 0.263 nan 8.230 nan 0.000 0.433 336 A N -0.230 122.470 122.820 -0.201 0.000 1.855 336 A HA -0.152 4.168 4.320 -0.001 0.000 0.215 336 A C 2.528 180.102 177.584 -0.017 0.000 1.191 336 A CA 1.572 53.565 52.037 -0.074 0.000 0.613 336 A CB -0.799 18.190 19.000 -0.019 0.000 0.829 336 A HN 0.395 nan 8.150 nan 0.000 0.442 337 A N -0.489 122.344 122.820 0.022 0.000 1.892 337 A HA -0.097 4.223 4.320 -0.001 0.000 0.218 337 A C 2.213 179.815 177.584 0.030 0.000 1.188 337 A CA 2.105 54.192 52.037 0.084 0.000 0.631 337 A CB -1.065 18.050 19.000 0.191 0.000 0.822 337 A HN 0.478 nan 8.150 nan 0.000 0.447 338 V N -0.362 119.534 119.914 -0.031 0.000 2.515 338 V HA -0.187 3.933 4.120 -0.001 0.000 0.250 338 V C 2.433 178.549 176.094 0.036 0.000 1.058 338 V CA 1.705 64.003 62.300 -0.003 0.000 1.064 338 V CB -0.617 31.188 31.823 -0.030 0.000 0.675 338 V HN 0.543 nan 8.190 nan 0.000 0.461 339 L N -0.747 120.485 121.223 0.015 0.000 2.240 339 L HA -0.083 4.257 4.340 -0.001 0.000 0.211 339 L C 2.251 179.157 176.870 0.060 0.000 1.106 339 L CA 1.150 56.030 54.840 0.067 0.000 0.793 339 L CB -0.215 41.875 42.059 0.051 0.000 0.927 339 L HN 0.341 nan 8.230 nan 0.000 0.446 340 Q N -0.588 119.238 119.800 0.044 0.000 2.320 340 Q HA 0.154 4.494 4.340 -0.001 0.000 0.201 340 Q C 1.183 177.207 176.000 0.041 0.000 0.910 340 Q CA 0.479 56.309 55.803 0.044 0.000 0.946 340 Q CB 0.734 29.499 28.738 0.045 0.000 1.062 340 Q HN 0.494 nan 8.270 nan 0.000 0.503 341 G N 0.949 109.775 108.800 0.043 0.000 2.143 341 G HA2 -0.332 3.628 3.960 -0.001 0.000 0.249 341 G HA3 -0.332 3.628 3.960 -0.001 0.000 0.249 341 G C 0.628 175.546 174.900 0.030 0.000 0.981 341 G CA 0.365 45.486 45.100 0.035 0.000 0.665 341 G HN 0.399 nan 8.290 nan 0.000 0.528 342 Q N -0.548 119.276 119.800 0.040 0.000 2.331 342 Q HA 0.525 4.865 4.340 -0.001 0.000 0.203 342 Q C 1.215 177.236 176.000 0.035 0.000 0.944 342 Q CA 1.117 56.945 55.803 0.041 0.000 0.892 342 Q CB 0.378 29.166 28.738 0.083 0.000 0.983 342 Q HN 1.035 nan 8.270 nan 0.000 0.482 343 A N -0.392 122.452 122.820 0.040 0.000 2.572 343 A HA 0.703 5.022 4.320 -0.001 0.000 0.295 343 A C -0.381 177.220 177.584 0.028 0.000 1.072 343 A CA -0.383 51.675 52.037 0.035 0.000 0.691 343 A CB 1.277 20.309 19.000 0.054 0.000 1.291 343 A HN 0.163 nan 8.150 nan 0.000 0.404 344 G N -0.703 108.112 108.800 0.024 0.000 2.528 344 G HA2 0.563 4.522 3.960 -0.001 0.000 0.289 344 G HA3 0.563 4.522 3.960 -0.001 0.000 0.289 344 G C 1.036 175.958 174.900 0.037 0.000 1.192 344 G CA 0.202 45.320 45.100 0.030 0.000 0.921 344 G HN 1.690 nan 8.290 nan 0.000 0.512 345 A N -0.039 122.813 122.820 0.053 0.000 2.076 345 A HA 0.033 4.352 4.320 -0.001 0.000 0.220 345 A C 2.528 180.146 177.584 0.057 0.000 1.160 345 A CA 2.177 54.258 52.037 0.073 0.000 0.653 345 A CB -0.791 18.260 19.000 0.085 0.000 0.801 345 A HN 1.091 nan 8.150 nan 0.000 0.455 346 G N -0.174 108.649 108.800 0.039 0.000 2.462 346 G HA2 -0.172 3.787 3.960 -0.001 0.000 0.220 346 G HA3 -0.172 3.787 3.960 -0.001 0.000 0.220 346 G C 1.408 176.322 174.900 0.024 0.000 1.121 346 G CA 1.172 46.291 45.100 0.031 0.000 0.758 346 G HN 0.533 nan 8.290 nan 0.000 0.559 347 L N 0.650 121.880 121.223 0.011 0.000 2.046 347 L HA 0.090 4.429 4.340 -0.001 0.000 0.208 347 L C 2.607 179.446 176.870 -0.051 0.000 1.077 347 L CA 1.272 56.098 54.840 -0.024 0.000 0.747 347 L CB -0.389 41.644 42.059 -0.044 0.000 0.896 347 L HN 0.204 nan 8.230 nan 0.000 0.432 348 L N -0.387 120.826 121.223 -0.017 0.000 2.263 348 L HA -0.237 4.103 4.340 -0.001 0.000 0.216 348 L C 1.809 178.768 176.870 0.148 0.000 1.111 348 L CA 1.098 55.975 54.840 0.060 0.000 0.773 348 L CB -1.047 41.133 42.059 0.201 0.000 0.906 348 L HN 0.373 nan 8.230 nan 0.000 0.439 349 D N -0.560 119.889 120.400 0.081 0.000 2.277 349 D HA -0.109 4.531 4.640 -0.001 0.000 0.208 349 D C 2.264 178.574 176.300 0.016 0.000 0.962 349 D CA 1.681 55.720 54.000 0.065 0.000 0.865 349 D CB -0.007 40.811 40.800 0.030 0.000 0.939 349 D HN 0.425 nan 8.370 nan 0.000 0.510 350 T N -1.557 112.987 114.554 -0.016 0.000 2.962 350 T HA -0.212 4.138 4.350 -0.001 0.000 0.270 350 T C 1.999 176.619 174.700 -0.133 0.000 1.088 350 T CA 0.473 62.522 62.100 -0.085 0.000 1.127 350 T CB -0.516 68.303 68.868 -0.081 0.000 0.883 350 T HN 0.093 nan 8.240 nan 0.000 0.493 351 Y N 2.219 122.415 120.300 -0.173 0.000 2.070 351 Y HA -0.111 4.438 4.550 -0.001 0.000 0.280 351 Y C 2.434 178.209 175.900 -0.209 0.000 1.148 351 Y CA 1.939 59.933 58.100 -0.176 0.000 1.125 351 Y CB -0.657 37.764 38.460 -0.064 0.000 0.975 351 Y HN 0.383 nan 8.280 nan 0.000 0.492 352 E N -0.155 119.896 120.200 -0.249 0.000 2.012 352 E HA -0.259 4.091 4.350 -0.001 0.000 0.197 352 E C 1.887 178.141 176.600 -0.576 0.000 1.007 352 E CA 1.712 57.816 56.400 -0.493 0.000 0.816 352 E CB -0.260 29.340 29.700 -0.166 0.000 0.762 352 E HN 0.510 nan 8.360 nan 0.000 0.451 353 D N 0.358 120.556 120.400 -0.337 0.000 2.170 353 D HA -0.220 4.419 4.640 -0.001 0.000 0.193 353 D C 1.832 177.914 176.300 -0.363 0.000 1.004 353 D CA 1.580 55.407 54.000 -0.288 0.000 0.860 353 D CB -0.252 40.440 40.800 -0.180 0.000 0.931 353 D HN 0.399 nan 8.370 nan 0.000 0.448 354 E N -0.454 119.460 120.200 -0.475 0.000 2.042 354 E HA 0.014 4.364 4.350 -0.001 0.000 0.189 354 E C 2.202 178.441 176.600 -0.600 0.000 0.974 354 E CA 0.273 56.293 56.400 -0.633 0.000 0.806 354 E CB 0.224 29.249 29.700 -1.124 0.000 0.769 354 E HN 0.020 nan 8.360 nan 0.000 0.451 355 R N 1.132 121.185 120.500 -0.744 0.000 2.148 355 R HA -0.045 4.295 4.340 -0.001 0.000 0.223 355 R C 2.065 177.755 176.300 -1.015 0.000 1.088 355 R CA 0.819 56.478 56.100 -0.734 0.000 0.985 355 R CB -0.329 29.526 30.300 -0.742 0.000 0.880 355 R HN 0.071 nan 8.270 nan 0.000 0.451 356 K N 0.736 120.326 120.400 -1.349 0.000 2.057 356 K HA -0.061 4.259 4.320 -0.001 0.000 0.206 356 K C 1.895 178.247 176.600 -0.412 0.000 1.050 356 K CA 1.044 56.647 56.287 -1.140 0.000 0.935 356 K CB -0.032 31.843 32.500 -1.042 0.000 0.715 356 K HN -0.117 nan 8.250 nan 0.000 0.439 357 V N 1.320 121.041 119.914 -0.321 0.000 2.261 357 V HA -0.266 3.853 4.120 -0.001 0.000 0.246 357 V C 2.430 178.462 176.094 -0.103 0.000 1.047 357 V CA 2.069 64.286 62.300 -0.138 0.000 1.015 357 V CB -0.843 30.925 31.823 -0.093 0.000 0.642 357 V HN 0.560 nan 8.190 nan 0.000 0.446 358 A N -0.135 122.602 122.820 -0.138 0.000 1.978 358 A HA -0.181 4.139 4.320 -0.001 0.000 0.220 358 A C 2.385 179.924 177.584 -0.075 0.000 1.170 358 A CA 2.198 54.159 52.037 -0.127 0.000 0.636 358 A CB -0.743 18.148 19.000 -0.182 0.000 0.810 358 A HN 0.617 nan 8.150 nan 0.000 0.448 359 A N -0.382 122.418 122.820 -0.033 0.000 1.972 359 A HA -0.148 4.171 4.320 -0.001 0.000 0.219 359 A C 1.920 179.521 177.584 0.028 0.000 1.169 359 A CA 1.588 53.671 52.037 0.077 0.000 0.635 359 A CB -0.411 18.764 19.000 0.293 0.000 0.810 359 A HN 0.662 nan 8.150 nan 0.000 0.446 360 E N -0.138 120.073 120.200 0.018 0.000 2.046 360 E HA -0.086 4.264 4.350 -0.001 0.000 0.190 360 E C 1.946 178.549 176.600 0.005 0.000 0.982 360 E CA 0.934 57.351 56.400 0.028 0.000 0.800 360 E CB -0.280 29.461 29.700 0.068 0.000 0.756 360 E HN 0.606 nan 8.360 nan 0.000 0.449 361 L N 0.679 121.898 121.223 -0.007 0.000 2.042 361 L HA -0.213 4.126 4.340 -0.001 0.000 0.210 361 L C 2.501 179.356 176.870 -0.024 0.000 1.076 361 L CA 0.893 55.727 54.840 -0.010 0.000 0.749 361 L CB -0.488 41.561 42.059 -0.017 0.000 0.893 361 L HN 0.065 nan 8.230 nan 0.000 0.432 362 V N -0.849 119.041 119.914 -0.039 0.000 2.307 362 V HA -0.223 3.897 4.120 -0.001 0.000 0.245 362 V C 2.411 178.478 176.094 -0.044 0.000 1.045 362 V CA 1.400 63.674 62.300 -0.044 0.000 1.024 362 V CB -0.042 31.754 31.823 -0.045 0.000 0.651 362 V HN 0.167 nan 8.190 nan 0.000 0.449 363 V N 0.347 120.229 119.914 -0.053 0.000 2.332 363 V HA -0.297 3.823 4.120 -0.001 0.000 0.248 363 V C 2.693 178.710 176.094 -0.128 0.000 1.055 363 V CA 2.157 64.400 62.300 -0.094 0.000 1.038 363 V CB -1.123 30.646 31.823 -0.091 0.000 0.651 363 V HN 0.571 nan 8.190 nan 0.000 0.450 364 A N -0.128 122.646 122.820 -0.077 0.000 1.877 364 A HA -0.262 4.058 4.320 -0.001 0.000 0.216 364 A C 2.198 179.745 177.584 -0.063 0.000 1.186 364 A CA 2.043 54.039 52.037 -0.070 0.000 0.620 364 A CB -0.569 18.429 19.000 -0.004 0.000 0.822 364 A HN 0.542 nan 8.150 nan 0.000 0.443 365 E N 0.326 120.512 120.200 -0.023 0.000 2.118 365 E HA -0.105 4.245 4.350 -0.001 0.000 0.195 365 E C 1.933 178.535 176.600 0.003 0.000 0.992 365 E CA 1.692 58.105 56.400 0.022 0.000 0.804 365 E CB -0.448 29.288 29.700 0.060 0.000 0.741 365 E HN 0.485 nan 8.360 nan 0.000 0.458 366 A N 0.065 122.855 122.820 -0.050 0.000 1.929 366 A HA -0.021 4.299 4.320 -0.001 0.000 0.216 366 A C 2.302 179.791 177.584 -0.159 0.000 1.176 366 A CA 1.014 53.012 52.037 -0.066 0.000 0.628 366 A CB -0.579 18.369 19.000 -0.087 0.000 0.816 366 A HN 0.315 nan 8.150 nan 0.000 0.444 367 L N -0.562 120.469 121.223 -0.319 0.000 2.012 367 L HA -0.223 4.117 4.340 -0.001 0.000 0.210 367 L C 3.086 179.782 176.870 -0.289 0.000 1.073 367 L CA 1.231 55.708 54.840 -0.606 0.000 0.748 367 L CB -0.537 40.880 42.059 -1.070 0.000 0.891 367 L HN 0.431 nan 8.230 nan 0.000 0.431 368 A N -0.179 122.566 122.820 -0.125 0.000 2.019 368 A HA -0.171 4.148 4.320 -0.001 0.000 0.219 368 A C 2.185 179.774 177.584 0.007 0.000 1.164 368 A CA 1.484 53.529 52.037 0.013 0.000 0.644 368 A CB -0.632 18.389 19.000 0.035 0.000 0.805 368 A HN 0.415 nan 8.150 nan 0.000 0.449 369 I N -2.364 118.199 120.570 -0.011 0.000 2.406 369 I HA -0.166 4.004 4.170 -0.001 0.000 0.249 369 I C 2.364 178.454 176.117 -0.045 0.000 1.122 369 I CA 1.095 62.376 61.300 -0.032 0.000 1.431 369 I CB -0.285 37.707 38.000 -0.012 0.000 1.087 369 I HN 0.521 nan 8.210 nan 0.000 0.424 370 Y N 1.934 122.158 120.300 -0.127 0.000 2.181 370 Y HA -0.273 4.276 4.550 -0.001 0.000 0.288 370 Y C 2.471 178.348 175.900 -0.038 0.000 1.146 370 Y CA 1.393 59.429 58.100 -0.106 0.000 1.164 370 Y CB -0.358 37.987 38.460 -0.191 0.000 0.982 370 Y HN 0.112 nan 8.280 nan 0.000 0.515 371 A N 0.103 122.914 122.820 -0.015 0.000 1.858 371 A HA -0.193 4.126 4.320 -0.001 0.000 0.216 371 A C 2.078 179.592 177.584 -0.117 0.000 1.190 371 A CA 1.760 53.779 52.037 -0.031 0.000 0.617 371 A CB -0.648 18.456 19.000 0.173 0.000 0.827 371 A HN 0.519 nan 8.150 nan 0.000 0.443 372 Q N -0.650 119.094 119.800 -0.093 0.000 2.224 372 Q HA -0.043 4.297 4.340 -0.001 0.000 0.203 372 Q C 1.821 177.719 176.000 -0.170 0.000 0.970 372 Q CA 1.221 56.958 55.803 -0.111 0.000 0.865 372 Q CB -0.085 28.601 28.738 -0.086 0.000 0.922 372 Q HN 0.727 nan 8.270 nan 0.000 0.445 373 R N -1.906 118.452 120.500 -0.237 0.000 2.394 373 R HA 0.274 4.613 4.340 -0.001 0.000 0.220 373 R C 1.431 177.661 176.300 -0.117 0.000 0.887 373 R CA 0.082 55.983 56.100 -0.331 0.000 1.034 373 R CB 0.637 30.465 30.300 -0.787 0.000 1.179 373 R HN 0.104 nan 8.270 nan 0.000 0.561 374 M N -1.241 118.255 119.600 -0.173 0.000 2.180 374 M HA 0.321 4.800 4.480 -0.001 0.000 0.289 374 M C -0.026 176.181 176.300 -0.156 0.000 1.089 374 M CA 0.426 55.655 55.300 -0.118 0.000 1.120 374 M CB 1.353 33.730 32.600 -0.372 0.000 1.864 374 M HN -0.035 nan 8.290 nan 0.000 0.636 375 A N 1.089 123.681 122.820 -0.380 0.000 3.370 375 A HA 0.578 4.898 4.320 -0.001 0.000 0.295 375 A C -2.133 175.261 177.584 -0.316 0.000 1.030 375 A CA -0.851 50.984 52.037 -0.338 0.000 0.883 375 A CB 0.056 18.738 19.000 -0.530 0.000 1.191 375 A HN 0.041 nan 8.150 nan 0.000 0.507 376 P HA -0.235 nan 4.420 nan 0.000 0.218 376 P C 1.256 178.519 177.300 -0.062 0.000 1.146 376 P CA 1.635 64.685 63.100 -0.084 0.000 0.813 376 P CB -0.229 31.437 31.700 -0.057 0.000 0.778 377 H N -2.216 116.833 119.070 -0.034 0.000 2.561 377 H HA 0.115 4.670 4.556 -0.001 0.000 0.278 377 H C 1.160 176.466 175.328 -0.037 0.000 1.014 377 H CA 0.724 56.755 56.048 -0.028 0.000 1.211 377 H CB -0.626 29.126 29.762 -0.017 0.000 1.365 377 H HN 0.175 nan 8.280 nan 0.000 0.594 378 M N 0.182 119.557 119.600 -0.376 0.000 2.337 378 M HA 0.269 4.749 4.480 -0.001 0.000 0.256 378 M C 2.334 178.506 176.300 -0.213 0.000 1.075 378 M CA 0.444 55.547 55.300 -0.329 0.000 1.024 378 M CB 0.162 32.576 32.600 -0.309 0.000 1.429 378 M HN 0.320 nan 8.290 nan 0.000 0.497 379 A N 1.832 124.608 122.820 -0.074 0.000 2.009 379 A HA -0.196 4.123 4.320 -0.001 0.000 0.222 379 A C 1.834 179.415 177.584 -0.007 0.000 1.175 379 A CA 1.952 54.001 52.037 0.020 0.000 0.651 379 A CB -0.558 18.449 19.000 0.011 0.000 0.815 379 A HN 0.677 nan 8.150 nan 0.000 0.459 380 E N -0.172 119.975 120.200 -0.089 0.000 2.479 380 E HA 0.122 4.471 4.350 -0.001 0.000 0.193 380 E C 1.305 177.791 176.600 -0.191 0.000 1.049 380 E CA 0.546 56.891 56.400 -0.091 0.000 0.870 380 E CB -0.190 29.469 29.700 -0.069 0.000 0.944 380 E HN 0.405 nan 8.360 nan 0.000 0.492 381 V N 0.607 120.268 119.914 -0.422 0.000 2.515 381 V HA -0.098 4.021 4.120 -0.001 0.000 0.250 381 V C 0.772 176.491 176.094 -0.625 0.000 1.058 381 V CA 1.093 62.974 62.300 -0.698 0.000 1.064 381 V CB -0.439 30.645 31.823 -1.232 0.000 0.675 381 V HN 0.335 nan 8.190 nan 0.000 0.461 382 W N -0.636 120.664 121.300 0.000 0.000 2.864 382 W HA 0.438 5.098 4.660 -0.000 0.000 0.343 382 W C -0.611 175.910 176.519 0.004 0.000 1.109 382 W CA -1.604 55.741 57.345 -0.001 0.000 1.192 382 W CB 0.566 30.005 29.460 -0.034 0.000 1.426 382 W HN 0.044 nan 8.180 nan 0.000 0.529 383 D N 1.353 121.904 120.400 0.251 0.000 2.443 383 D HA -0.042 4.598 4.640 -0.001 0.000 0.234 383 D C 0.459 176.844 176.300 0.141 0.000 1.172 383 D CA 0.653 54.742 54.000 0.149 0.000 0.878 383 D CB 0.972 41.844 40.800 0.119 0.000 1.204 383 D HN -0.057 nan 8.370 nan 0.000 0.453 384 K N 0.687 121.144 120.400 0.094 0.000 2.180 384 K HA 0.108 4.428 4.320 -0.001 0.000 0.251 384 K C 0.169 176.810 176.600 0.070 0.000 1.014 384 K CA -0.349 55.985 56.287 0.078 0.000 0.913 384 K CB 0.754 33.286 32.500 0.053 0.000 1.008 384 K HN 0.408 nan 8.250 nan 0.000 0.490 385 S N 1.237 116.974 115.700 0.061 0.000 2.552 385 S HA -0.016 4.454 4.470 -0.001 0.000 0.289 385 S C 0.993 175.627 174.600 0.056 0.000 1.304 385 S CA -0.452 57.783 58.200 0.059 0.000 1.063 385 S CB 0.662 63.898 63.200 0.060 0.000 0.848 385 S HN 0.432 nan 8.310 nan 0.000 0.499 386 V N 4.327 124.276 119.914 0.059 0.000 3.406 386 V HA 0.349 4.469 4.120 -0.001 0.000 0.263 386 V C 1.113 177.242 176.094 0.057 0.000 1.172 386 V CA 1.228 63.560 62.300 0.054 0.000 1.140 386 V CB -0.658 31.197 31.823 0.053 0.000 0.784 386 V HN 1.246 nan 8.190 nan 0.000 0.467 387 G N -1.875 106.971 108.800 0.077 0.000 3.101 387 G HA2 -0.161 3.799 3.960 -0.001 0.000 0.672 387 G HA3 -0.161 3.799 3.960 -0.001 0.000 0.672 387 G C -0.311 174.673 174.900 0.140 0.000 1.331 387 G CA -0.076 45.083 45.100 0.098 0.000 0.925 387 G HN 0.070 nan 8.290 nan 0.000 0.596 388 Y N 3.144 123.465 120.300 0.036 0.000 2.081 388 Y HA -0.138 4.412 4.550 -0.001 0.000 0.280 388 Y C 0.373 176.306 175.900 0.055 0.000 1.163 388 Y CA 3.275 61.406 58.100 0.052 0.000 1.135 388 Y CB -0.217 38.284 38.460 0.069 0.000 0.970 388 Y HN 0.512 nan 8.280 nan 0.000 0.498 389 P HA -0.144 nan 4.420 nan 0.000 0.219 389 P C 1.003 178.294 177.300 -0.015 0.000 1.150 389 P CA 1.853 64.962 63.100 0.015 0.000 0.814 389 P CB -0.180 31.553 31.700 0.055 0.000 0.787 390 E N -0.428 119.779 120.200 0.012 0.000 2.153 390 E HA -0.114 4.235 4.350 -0.001 0.000 0.194 390 E C 1.491 178.119 176.600 0.046 0.000 0.988 390 E CA 1.439 57.849 56.400 0.017 0.000 0.811 390 E CB -1.826 27.890 29.700 0.027 0.000 0.746 390 E HN 0.209 nan 8.360 nan 0.000 0.466 391 T N 1.821 116.388 114.554 0.021 0.000 2.857 391 T HA 0.041 4.391 4.350 -0.001 0.000 0.266 391 T C 2.071 176.777 174.700 0.010 0.000 1.048 391 T CA 0.860 62.969 62.100 0.014 0.000 1.139 391 T CB -0.060 68.787 68.868 -0.035 0.000 0.874 391 T HN 0.115 nan 8.240 nan 0.000 0.455 392 L N -0.625 120.550 121.223 -0.081 0.000 2.298 392 L HA 0.313 4.653 4.340 -0.001 0.000 0.209 392 L C 1.791 178.737 176.870 0.128 0.000 1.084 392 L CA 0.742 55.536 54.840 -0.075 0.000 0.816 392 L CB -0.094 41.787 42.059 -0.296 0.000 0.967 392 L HN 0.175 nan 8.230 nan 0.000 0.460 393 L N -1.466 119.778 121.223 0.035 0.000 2.948 393 L HA 0.302 4.642 4.340 -0.001 0.000 0.259 393 L C 1.859 178.581 176.870 -0.247 0.000 1.136 393 L CA 0.222 55.006 54.840 -0.093 0.000 0.959 393 L CB 0.405 42.395 42.059 -0.115 0.000 1.370 393 L HN 0.108 nan 8.230 nan 0.000 0.552 394 G N 0.154 108.877 108.800 -0.128 0.000 3.126 394 G HA2 0.066 4.026 3.960 -0.001 0.000 0.224 394 G HA3 0.066 4.026 3.960 -0.001 0.000 0.224 394 G C 0.480 175.392 174.900 0.021 0.000 1.142 394 G CA -0.254 44.784 45.100 -0.103 0.000 0.759 394 G HN 0.170 nan 8.290 nan 0.000 0.550 395 F N 0.464 120.413 119.950 -0.002 0.000 2.553 395 F HA 0.556 5.083 4.527 -0.001 0.000 0.356 395 F C 0.347 176.004 175.800 -0.238 0.000 1.142 395 F CA -1.493 56.456 58.000 -0.084 0.000 1.322 395 F CB 0.670 39.568 39.000 -0.170 0.000 1.126 395 F HN -0.108 nan 8.300 nan 0.000 0.599 396 R N 2.906 123.330 120.500 -0.127 0.000 2.534 396 R HA 0.328 4.668 4.340 -0.001 0.000 0.301 396 R C -1.594 174.630 176.300 -0.126 0.000 0.961 396 R CA -0.864 54.903 56.100 -0.555 0.000 0.871 396 R CB 0.890 30.483 30.300 -1.178 0.000 1.170 396 R HN 0.707 nan 8.270 nan 0.000 0.446 397 Y N 2.819 123.044 120.300 -0.126 0.000 2.304 397 Y HA 0.349 4.899 4.550 -0.001 0.000 0.327 397 Y C 0.471 176.296 175.900 -0.124 0.000 1.209 397 Y CA -0.552 57.497 58.100 -0.085 0.000 1.299 397 Y CB 0.809 39.260 38.460 -0.015 0.000 1.249 397 Y HN 0.285 nan 8.280 nan 0.000 0.519 398 R N 1.581 122.120 120.500 0.067 0.000 2.628 398 R HA 0.739 5.078 4.340 -0.001 0.000 0.288 398 R C -0.715 175.574 176.300 -0.017 0.000 0.980 398 R CA -0.777 55.330 56.100 0.012 0.000 0.891 398 R CB 1.844 32.134 30.300 -0.016 0.000 1.188 398 R HN 0.827 nan 8.270 nan 0.000 0.450 399 S N -1.038 114.663 115.700 0.001 0.000 2.655 399 S HA 0.041 4.511 4.470 -0.001 0.000 0.263 399 S C 0.531 175.146 174.600 0.025 0.000 1.091 399 S CA -0.147 58.045 58.200 -0.013 0.000 0.865 399 S CB 0.319 63.486 63.200 -0.056 0.000 1.146 399 S HN 0.507 nan 8.310 nan 0.000 0.482 400 S N 0.086 115.800 115.700 0.023 0.000 2.500 400 S HA 0.137 4.607 4.470 -0.001 0.000 0.239 400 S C 1.345 175.994 174.600 0.083 0.000 0.989 400 S CA 0.741 58.968 58.200 0.045 0.000 0.951 400 S CB -0.705 62.514 63.200 0.032 0.000 0.759 400 S HN 1.658 nan 8.310 nan 0.000 0.523 401 A N 0.406 123.288 122.820 0.104 0.000 2.460 401 A HA 0.648 4.968 4.320 -0.001 0.000 0.258 401 A C 0.124 177.834 177.584 0.211 0.000 1.300 401 A CA -0.346 51.804 52.037 0.189 0.000 0.913 401 A CB 0.285 19.424 19.000 0.231 0.000 1.031 401 A HN 0.362 nan 8.150 nan 0.000 0.512 402 V N 1.122 121.129 119.914 0.155 0.000 2.569 402 V HA 0.278 4.398 4.120 -0.001 0.000 0.301 402 V C -0.567 175.609 176.094 0.136 0.000 1.044 402 V CA -0.348 62.044 62.300 0.153 0.000 0.874 402 V CB 1.759 33.653 31.823 0.117 0.000 1.002 402 V HN 0.358 nan 8.190 nan 0.000 0.424 403 L N 4.913 126.244 121.223 0.180 0.000 2.352 403 L HA 0.634 4.974 4.340 -0.001 0.000 0.272 403 L C 0.567 177.522 176.870 0.142 0.000 1.109 403 L CA -0.124 54.831 54.840 0.193 0.000 0.952 403 L CB 0.872 43.129 42.059 0.330 0.000 1.314 403 L HN 0.740 nan 8.230 nan 0.000 0.427 404 A N 1.652 124.524 122.820 0.087 0.000 2.301 404 A HA 0.558 4.878 4.320 -0.001 0.000 0.312 404 A C 0.940 178.551 177.584 0.044 0.000 1.182 404 A CA -0.330 51.736 52.037 0.049 0.000 0.826 404 A CB 1.079 20.096 19.000 0.029 0.000 1.134 404 A HN 0.600 nan 8.150 nan 0.000 0.501 405 T N 1.056 115.625 114.554 0.025 0.000 2.901 405 T HA -0.023 4.327 4.350 -0.001 0.000 0.252 405 T C 0.890 175.603 174.700 0.021 0.000 1.035 405 T CA 1.149 63.263 62.100 0.023 0.000 1.142 405 T CB -0.286 68.585 68.868 0.006 0.000 0.869 405 T HN 0.909 nan 8.240 nan 0.000 0.442 406 D N 1.416 121.826 120.400 0.017 0.000 2.369 406 D HA -0.008 4.632 4.640 -0.001 0.000 0.241 406 D C -0.611 175.701 176.300 0.020 0.000 1.271 406 D CA -0.024 53.987 54.000 0.019 0.000 0.942 406 D CB 0.810 41.624 40.800 0.023 0.000 1.129 406 D HN 0.048 nan 8.370 nan 0.000 0.476 407 D N 0.311 120.722 120.400 0.019 0.000 2.552 407 D HA 0.094 4.733 4.640 -0.001 0.000 0.285 407 D C -1.354 174.957 176.300 0.019 0.000 1.206 407 D CA -0.447 53.563 54.000 0.017 0.000 0.826 407 D CB 0.442 41.250 40.800 0.013 0.000 1.179 407 D HN 0.324 nan 8.370 nan 0.000 0.508 408 D N 1.998 122.415 120.400 0.027 0.000 2.277 408 D HA 0.161 4.800 4.640 -0.001 0.000 0.249 408 D C -1.350 174.968 176.300 0.030 0.000 1.134 408 D CA -1.719 52.300 54.000 0.033 0.000 0.863 408 D CB 1.837 42.668 40.800 0.052 0.000 1.143 408 D HN 0.103 nan 8.370 nan 0.000 0.458 409 P HA 0.122 nan 4.420 nan 0.000 0.241 409 P C 0.101 177.416 177.300 0.025 0.000 1.191 409 P CA -0.129 62.982 63.100 0.019 0.000 0.771 409 P CB 0.082 31.792 31.700 0.017 0.000 0.929 410 A N 0.935 123.781 122.820 0.043 0.000 2.531 410 A HA 0.089 4.409 4.320 -0.001 0.000 0.236 410 A C 1.158 178.775 177.584 0.055 0.000 1.062 410 A CA 0.108 52.181 52.037 0.060 0.000 0.760 410 A CB 0.010 19.062 19.000 0.087 0.000 0.995 410 A HN 0.028 nan 8.150 nan 0.000 0.501 411 R N -0.022 120.511 120.500 0.056 0.000 2.365 411 R HA 0.263 4.603 4.340 -0.001 0.000 0.223 411 R C -0.038 176.306 176.300 0.074 0.000 0.899 411 R CA 0.811 56.931 56.100 0.034 0.000 1.059 411 R CB 0.592 30.911 30.300 0.033 0.000 1.086 411 R HN 0.759 nan 8.270 nan 0.000 0.522 412 V N -2.278 117.722 119.914 0.143 0.000 3.181 412 V HA 0.614 4.734 4.120 -0.001 0.000 0.308 412 V C -1.345 174.897 176.094 0.248 0.000 1.214 412 V CA -1.144 61.282 62.300 0.212 0.000 1.053 412 V CB 2.287 34.182 31.823 0.120 0.000 1.069 412 V HN 0.210 nan 8.190 nan 0.000 0.441 413 E N 0.625 120.919 120.200 0.157 0.000 2.408 413 E HA 0.357 4.706 4.350 -0.001 0.000 0.275 413 E C -1.077 175.457 176.600 -0.110 0.000 0.935 413 E CA -0.863 55.495 56.400 -0.071 0.000 0.775 413 E CB 2.058 31.504 29.700 -0.422 0.000 1.277 413 E HN 0.801 nan 8.360 nan 0.000 0.455 414 N N 2.729 121.362 118.700 -0.112 0.000 2.417 414 N HA -0.019 4.721 4.740 -0.001 0.000 0.272 414 N C -1.404 174.018 175.510 -0.147 0.000 1.304 414 N CA -1.064 51.928 53.050 -0.097 0.000 0.906 414 N CB 0.702 39.141 38.487 -0.079 0.000 1.135 414 N HN 0.352 nan 8.380 nan 0.000 0.483 415 P HA -0.120 nan 4.420 nan 0.000 0.225 415 P C 1.211 178.432 177.300 -0.132 0.000 1.148 415 P CA 0.906 63.911 63.100 -0.157 0.000 0.779 415 P CB 0.262 31.887 31.700 -0.125 0.000 0.780 416 L N -0.395 120.770 121.223 -0.096 0.000 2.240 416 L HA 0.021 4.361 4.340 -0.001 0.000 0.211 416 L C 1.099 177.917 176.870 -0.087 0.000 1.106 416 L CA 1.337 56.133 54.840 -0.073 0.000 0.793 416 L CB -0.927 41.105 42.059 -0.045 0.000 0.927 416 L HN 0.077 nan 8.230 nan 0.000 0.446 417 T N -1.955 112.529 114.554 -0.116 0.000 3.327 417 T HA 0.415 4.765 4.350 -0.001 0.000 0.373 417 T C -2.441 172.143 174.700 -0.193 0.000 1.589 417 T CA -1.697 60.326 62.100 -0.128 0.000 1.497 417 T CB 0.794 69.599 68.868 -0.105 0.000 1.032 417 T HN -0.139 nan 8.240 nan 0.000 0.640 418 P HA 0.281 nan 4.420 nan 0.000 0.276 418 P C 0.742 177.833 177.300 -0.348 0.000 1.261 418 P CA -0.550 62.343 63.100 -0.344 0.000 0.800 418 P CB 1.278 32.779 31.700 -0.331 0.000 1.066 419 S N -1.589 113.834 115.700 -0.463 0.000 2.511 419 S HA 0.218 4.687 4.470 -0.001 0.000 0.214 419 S C 1.631 176.065 174.600 -0.276 0.000 0.997 419 S CA 0.530 58.523 58.200 -0.344 0.000 0.908 419 S CB -0.968 62.011 63.200 -0.368 0.000 0.803 419 S HN 0.782 nan 8.310 nan 0.000 0.504 420 G N 2.262 110.860 108.800 -0.337 0.000 2.205 420 G HA2 -0.346 3.613 3.960 -0.001 0.000 0.269 420 G HA3 -0.346 3.613 3.960 -0.001 0.000 0.269 420 G C 0.231 175.059 174.900 -0.121 0.000 0.977 420 G CA 0.470 45.398 45.100 -0.286 0.000 0.652 420 G HN 0.619 nan 8.290 nan 0.000 0.539 421 R N 0.864 121.339 120.500 -0.042 0.000 2.623 421 R HA 0.276 4.615 4.340 -0.001 0.000 0.271 421 R C -2.194 174.197 176.300 0.152 0.000 1.043 421 R CA -1.371 54.782 56.100 0.089 0.000 1.083 421 R CB -0.020 30.403 30.300 0.205 0.000 0.974 421 R HN 0.100 nan 8.270 nan 0.000 0.436 422 P HA -0.171 nan 4.420 nan 0.000 0.263 422 P C 0.751 178.050 177.300 -0.002 0.000 1.168 422 P CA 1.411 64.536 63.100 0.042 0.000 0.759 422 P CB 0.449 32.175 31.700 0.044 0.000 0.782 423 G N 1.215 109.986 108.800 -0.049 0.000 2.313 423 G HA2 -0.214 3.746 3.960 -0.001 0.000 0.215 423 G HA3 -0.214 3.746 3.960 -0.001 0.000 0.215 423 G C -0.037 174.624 174.900 -0.398 0.000 1.023 423 G CA -0.513 44.464 45.100 -0.206 0.000 0.626 423 G HN 0.409 nan 8.290 nan 0.000 0.503 424 F N 1.527 121.350 119.950 -0.211 0.000 2.411 424 F HA 0.726 5.253 4.527 -0.001 0.000 0.324 424 F C 1.392 176.944 175.800 -0.414 0.000 1.086 424 F CA -0.888 56.886 58.000 -0.377 0.000 1.028 424 F CB 0.592 39.395 39.000 -0.329 0.000 1.284 424 F HN -0.069 nan 8.300 nan 0.000 0.501 425 R N 0.400 120.699 120.500 -0.335 0.000 2.585 425 R HA 0.191 4.531 4.340 -0.001 0.000 0.275 425 R C 0.309 176.491 176.300 -0.198 0.000 1.018 425 R CA 0.019 55.948 56.100 -0.284 0.000 1.072 425 R CB 0.028 30.143 30.300 -0.308 0.000 0.953 425 R HN 0.876 nan 8.270 nan 0.000 0.419 426 G N 4.728 113.439 108.800 -0.148 0.000 2.224 426 G HA2 0.009 3.968 3.960 -0.001 0.000 0.239 426 G HA3 0.009 3.968 3.960 -0.001 0.000 0.239 426 G C -2.189 172.641 174.900 -0.116 0.000 1.240 426 G CA -0.831 44.218 45.100 -0.086 0.000 0.896 426 G HN 0.359 nan 8.290 nan 0.000 0.496 427 P HA 0.005 nan 4.420 nan 0.000 0.267 427 P C -0.048 177.290 177.300 0.065 0.000 1.200 427 P CA 0.083 63.028 63.100 -0.257 0.000 0.772 427 P CB 0.465 31.900 31.700 -0.441 0.000 0.855 428 H N 2.928 121.976 119.070 -0.036 0.000 2.955 428 H HA 0.327 4.882 4.556 -0.001 0.000 0.290 428 H C -0.894 174.433 175.328 -0.001 0.000 1.047 428 H CA 0.430 56.469 56.048 -0.015 0.000 1.484 428 H CB -0.218 29.514 29.762 -0.049 0.000 1.501 428 H HN -0.014 nan 8.280 nan 0.000 0.521 429 V N 7.221 126.933 119.914 -0.337 0.000 2.808 429 V HA 0.172 4.291 4.120 -0.001 0.000 0.308 429 V C -0.297 175.568 176.094 -0.382 0.000 1.099 429 V CA -0.968 61.122 62.300 -0.351 0.000 0.920 429 V CB 2.017 33.788 31.823 -0.087 0.000 1.014 429 V HN 0.674 nan 8.190 nan 0.000 0.425 430 L N 5.513 126.522 121.223 -0.356 0.000 2.380 430 L HA 0.725 5.065 4.340 -0.001 0.000 0.273 430 L C -0.014 176.753 176.870 -0.171 0.000 1.138 430 L CA 0.007 54.709 54.840 -0.231 0.000 0.832 430 L CB 1.154 43.117 42.059 -0.159 0.000 1.124 430 L HN 0.656 nan 8.230 nan 0.000 0.454 431 V N -0.226 119.590 119.914 -0.162 0.000 3.156 431 V HA 0.868 4.988 4.120 -0.001 0.000 0.306 431 V C -0.817 175.181 176.094 -0.161 0.000 1.468 431 V CA -0.673 61.528 62.300 -0.165 0.000 1.047 431 V CB 1.951 33.647 31.823 -0.212 0.000 1.078 431 V HN 0.764 nan 8.190 nan 0.000 0.468 432 S N -0.244 115.350 115.700 -0.177 0.000 2.535 432 S HA 0.666 5.136 4.470 -0.001 0.000 0.272 432 S C -1.119 173.344 174.600 -0.228 0.000 1.149 432 S CA -1.012 57.089 58.200 -0.165 0.000 0.888 432 S CB 2.056 65.193 63.200 -0.105 0.000 1.110 432 S HN 0.937 nan 8.310 nan 0.000 0.463 433 R N 2.269 122.627 120.500 -0.236 0.000 2.391 433 R HA 0.326 4.665 4.340 -0.001 0.000 0.310 433 R C -0.223 175.932 176.300 -0.241 0.000 1.174 433 R CA -0.525 55.349 56.100 -0.377 0.000 1.118 433 R CB -0.309 29.829 30.300 -0.269 0.000 1.134 433 R HN 0.882 nan 8.270 nan 0.000 0.524 434 H N 0.487 119.544 119.070 -0.022 0.000 3.366 434 H HA -0.221 4.335 4.556 -0.001 0.000 0.233 434 H C 1.074 176.395 175.328 -0.011 0.000 1.102 434 H CA 1.476 57.519 56.048 -0.008 0.000 1.184 434 H CB -1.162 28.603 29.762 0.006 0.000 1.216 434 H HN 0.946 nan 8.280 nan 0.000 0.317 435 G N -0.075 108.748 108.800 0.039 0.000 3.302 435 G HA2 -0.164 3.796 3.960 -0.001 0.000 0.216 435 G HA3 -0.164 3.796 3.960 -0.001 0.000 0.216 435 G C -0.029 174.869 174.900 -0.003 0.000 1.008 435 G CA 0.110 45.224 45.100 0.022 0.000 0.852 435 G HN 0.439 nan 8.290 nan 0.000 0.485 436 E N 1.902 122.095 120.200 -0.011 0.000 2.180 436 E HA 0.450 4.800 4.350 -0.001 0.000 0.283 436 E C -0.018 176.547 176.600 -0.058 0.000 1.061 436 E CA -0.571 55.815 56.400 -0.024 0.000 0.861 436 E CB 0.378 30.070 29.700 -0.014 0.000 1.056 436 E HN 0.053 nan 8.360 nan 0.000 0.407 437 R N 4.833 125.305 120.500 -0.048 0.000 2.254 437 R HA 0.475 4.814 4.340 -0.001 0.000 0.318 437 R C -0.482 175.780 176.300 -0.063 0.000 1.031 437 R CA -0.336 55.727 56.100 -0.061 0.000 0.905 437 R CB 0.500 30.775 30.300 -0.040 0.000 1.050 437 R HN 0.625 nan 8.270 nan 0.000 0.456 438 L N 0.214 121.382 121.223 -0.091 0.000 2.568 438 L HA 0.293 4.633 4.340 -0.001 0.000 0.257 438 L C -0.051 176.755 176.870 -0.106 0.000 1.024 438 L CA -0.816 53.968 54.840 -0.093 0.000 0.854 438 L CB 2.389 44.369 42.059 -0.132 0.000 1.460 438 L HN 0.467 nan 8.230 nan 0.000 0.409 439 S N -0.534 115.126 115.700 -0.066 0.000 2.548 439 S HA 0.112 4.582 4.470 -0.001 0.000 0.277 439 S C 1.319 175.804 174.600 -0.192 0.000 1.315 439 S CA 0.073 58.237 58.200 -0.060 0.000 1.050 439 S CB 1.068 64.365 63.200 0.162 0.000 0.918 439 S HN 0.775 nan 8.310 nan 0.000 0.497 440 T N 2.862 117.278 114.554 -0.230 0.000 2.792 440 T HA -0.164 4.185 4.350 -0.001 0.000 0.268 440 T C 1.639 175.897 174.700 -0.737 0.000 1.059 440 T CA 1.877 63.761 62.100 -0.360 0.000 1.136 440 T CB -0.650 68.167 68.868 -0.086 0.000 0.846 440 T HN 0.443 nan 8.240 nan 0.000 0.489 441 V N 2.154 121.841 119.914 -0.378 0.000 2.548 441 V HA -0.089 4.031 4.120 -0.001 0.000 0.249 441 V C 2.292 178.152 176.094 -0.389 0.000 1.055 441 V CA 1.721 63.814 62.300 -0.345 0.000 1.065 441 V CB -0.492 31.335 31.823 0.006 0.000 0.681 441 V HN 0.477 nan 8.190 nan 0.000 0.462 442 D N 0.094 120.323 120.400 -0.284 0.000 2.371 442 D HA -0.013 4.626 4.640 -0.001 0.000 0.221 442 D C 1.967 178.135 176.300 -0.219 0.000 0.986 442 D CA 0.640 54.528 54.000 -0.186 0.000 0.899 442 D CB 0.067 40.798 40.800 -0.115 0.000 0.902 442 D HN 0.372 nan 8.370 nan 0.000 0.530 443 L N -0.428 120.534 121.223 -0.434 0.000 2.291 443 L HA 0.004 4.343 4.340 -0.001 0.000 0.214 443 L C 0.991 177.835 176.870 -0.044 0.000 1.120 443 L CA 0.443 55.116 54.840 -0.277 0.000 0.799 443 L CB -0.263 41.605 42.059 -0.319 0.000 0.925 443 L HN -0.080 nan 8.230 nan 0.000 0.446 444 F N -0.729 119.237 119.950 0.026 0.000 2.380 444 F HA 0.446 4.972 4.527 -0.001 0.000 0.325 444 F C 1.462 177.243 175.800 -0.030 0.000 1.136 444 F CA -0.099 57.890 58.000 -0.017 0.000 1.171 444 F CB 0.966 39.934 39.000 -0.055 0.000 1.230 444 F HN 0.010 nan 8.300 nan 0.000 0.554 445 G N 0.767 109.645 108.800 0.130 0.000 2.238 445 G HA2 -0.293 3.667 3.960 -0.001 0.000 0.217 445 G HA3 -0.293 3.667 3.960 -0.001 0.000 0.217 445 G C 0.700 175.619 174.900 0.032 0.000 0.996 445 G CA 0.269 45.402 45.100 0.055 0.000 0.632 445 G HN 0.648 nan 8.290 nan 0.000 0.503 446 D N 0.738 121.170 120.400 0.054 0.000 2.088 446 D HA 0.267 4.907 4.640 -0.001 0.000 0.196 446 D C 1.914 178.233 176.300 0.033 0.000 0.983 446 D CA 2.899 56.931 54.000 0.054 0.000 0.846 446 D CB -0.574 40.269 40.800 0.072 0.000 0.992 446 D HN 0.751 nan 8.370 nan 0.000 0.448 447 G N -2.096 106.734 108.800 0.051 0.000 3.359 447 G HA2 0.368 4.328 3.960 -0.001 0.000 0.187 447 G HA3 0.368 4.328 3.960 -0.001 0.000 0.187 447 G C -1.151 173.747 174.900 -0.003 0.000 1.294 447 G CA -0.437 44.722 45.100 0.099 0.000 0.769 447 G HN 0.179 nan 8.290 nan 0.000 0.733 448 W N 0.851 122.126 121.300 -0.041 0.000 2.449 448 W HA 0.692 5.352 4.660 -0.001 0.000 0.331 448 W C -0.134 176.382 176.519 -0.005 0.000 1.119 448 W CA -0.187 57.127 57.345 -0.052 0.000 1.240 448 W CB 1.580 31.013 29.460 -0.045 0.000 1.251 448 W HN 0.221 nan 8.180 nan 0.000 0.576 449 T N 3.375 118.046 114.554 0.195 0.000 2.887 449 T HA 0.675 5.024 4.350 -0.001 0.000 0.288 449 T C -1.527 173.280 174.700 0.179 0.000 1.021 449 T CA -0.719 61.502 62.100 0.203 0.000 1.000 449 T CB 1.394 70.481 68.868 0.364 0.000 1.034 449 T HN 0.359 nan 8.240 nan 0.000 0.467 450 L N 3.264 124.577 121.223 0.151 0.000 2.446 450 L HA 0.593 4.932 4.340 -0.001 0.000 0.268 450 L C -1.625 175.305 176.870 0.100 0.000 0.975 450 L CA -0.718 54.193 54.840 0.118 0.000 0.848 450 L CB 0.719 42.842 42.059 0.107 0.000 1.225 450 L HN 0.563 nan 8.230 nan 0.000 0.410 451 L N 5.211 126.462 121.223 0.046 0.000 2.275 451 L HA 0.826 5.166 4.340 -0.001 0.000 0.288 451 L C 0.211 177.048 176.870 -0.055 0.000 1.046 451 L CA -0.397 54.437 54.840 -0.011 0.000 0.805 451 L CB 1.453 43.397 42.059 -0.190 0.000 1.193 451 L HN 0.721 nan 8.230 nan 0.000 0.426 452 A N 2.169 124.993 122.820 0.007 0.000 2.356 452 A HA 0.816 5.135 4.320 -0.001 0.000 0.323 452 A C 0.201 177.811 177.584 0.042 0.000 1.119 452 A CA -0.316 51.736 52.037 0.025 0.000 0.790 452 A CB 1.378 20.483 19.000 0.175 0.000 1.273 452 A HN 0.736 nan 8.150 nan 0.000 0.452 453 G N -0.642 108.196 108.800 0.062 0.000 2.634 453 G HA2 0.336 4.296 3.960 -0.001 0.000 0.255 453 G HA3 0.336 4.296 3.960 -0.001 0.000 0.255 453 G C 0.639 175.594 174.900 0.092 0.000 1.205 453 G CA 0.310 45.448 45.100 0.063 0.000 0.884 453 G HN 0.917 nan 8.290 nan 0.000 0.549 454 E N -0.466 119.771 120.200 0.062 0.000 2.108 454 E HA -0.199 4.151 4.350 -0.001 0.000 0.203 454 E C 2.094 178.737 176.600 0.072 0.000 1.022 454 E CA 1.202 57.636 56.400 0.056 0.000 0.823 454 E CB -0.106 29.618 29.700 0.040 0.000 0.744 454 E HN 0.447 nan 8.360 nan 0.000 0.456 455 L N -0.668 120.607 121.223 0.086 0.000 2.592 455 L HA 0.129 4.469 4.340 -0.001 0.000 0.227 455 L C 1.542 178.479 176.870 0.113 0.000 1.127 455 L CA 0.132 55.021 54.840 0.082 0.000 0.884 455 L CB 0.423 42.525 42.059 0.072 0.000 1.065 455 L HN 0.058 nan 8.230 nan 0.000 0.457 456 G N -0.404 108.506 108.800 0.184 0.000 3.639 456 G HA2 0.295 4.255 3.960 -0.001 0.000 0.279 456 G HA3 0.295 4.255 3.960 -0.001 0.000 0.279 456 G C 1.252 176.291 174.900 0.231 0.000 1.312 456 G CA 0.462 45.753 45.100 0.318 0.000 1.355 456 G HN 0.305 nan 8.290 nan 0.000 0.595 457 A N 1.327 124.212 122.820 0.107 0.000 2.019 457 A HA -0.086 4.233 4.320 -0.001 0.000 0.219 457 A C 2.223 179.828 177.584 0.035 0.000 1.164 457 A CA 1.869 53.951 52.037 0.075 0.000 0.644 457 A CB -0.122 18.904 19.000 0.042 0.000 0.805 457 A HN 0.494 nan 8.150 nan 0.000 0.449 458 D N -0.831 119.538 120.400 -0.052 0.000 2.123 458 D HA -0.254 4.386 4.640 -0.001 0.000 0.196 458 D C 1.737 177.983 176.300 -0.091 0.000 0.992 458 D CA 1.328 55.239 54.000 -0.148 0.000 0.833 458 D CB -1.022 39.599 40.800 -0.298 0.000 0.954 458 D HN 0.715 nan 8.370 nan 0.000 0.455 459 W N 0.929 122.254 121.300 0.042 0.000 2.338 459 W HA -0.111 4.548 4.660 -0.001 0.000 0.304 459 W C 2.723 179.262 176.519 0.033 0.000 1.212 459 W CA 0.825 58.200 57.345 0.051 0.000 1.264 459 W CB -0.472 29.040 29.460 0.085 0.000 1.142 459 W HN -0.140 nan 8.180 nan 0.000 0.512 460 V N 0.727 120.791 119.914 0.248 0.000 2.343 460 V HA -0.318 3.802 4.120 -0.001 0.000 0.247 460 V C 2.333 178.476 176.094 0.082 0.000 1.051 460 V CA 2.009 64.392 62.300 0.138 0.000 1.036 460 V CB -1.563 30.323 31.823 0.106 0.000 0.654 460 V HN 0.268 nan 8.190 nan 0.000 0.451 461 A N -0.163 122.692 122.820 0.058 0.000 2.019 461 A HA -0.039 4.280 4.320 -0.001 0.000 0.219 461 A C 2.362 179.960 177.584 0.023 0.000 1.164 461 A CA 1.843 53.894 52.037 0.024 0.000 0.644 461 A CB -0.568 18.431 19.000 -0.002 0.000 0.805 461 A HN 0.569 nan 8.150 nan 0.000 0.449 462 A N -0.257 122.592 122.820 0.048 0.000 1.968 462 A HA 0.280 4.599 4.320 -0.001 0.000 0.217 462 A C 2.423 180.036 177.584 0.048 0.000 1.169 462 A CA 1.592 53.658 52.037 0.048 0.000 0.638 462 A CB -0.792 18.270 19.000 0.104 0.000 0.812 462 A HN 0.952 nan 8.150 nan 0.000 0.446 463 A N -0.453 122.409 122.820 0.070 0.000 1.933 463 A HA -0.134 4.186 4.320 -0.001 0.000 0.218 463 A C 2.005 179.596 177.584 0.013 0.000 1.175 463 A CA 1.589 53.654 52.037 0.045 0.000 0.628 463 A CB -0.315 18.717 19.000 0.052 0.000 0.814 463 A HN 0.488 nan 8.150 nan 0.000 0.444 464 E N -0.413 119.794 120.200 0.011 0.000 2.076 464 E HA -0.010 4.340 4.350 -0.001 0.000 0.190 464 E C 2.415 179.011 176.600 -0.007 0.000 0.979 464 E CA 0.931 57.331 56.400 -0.000 0.000 0.807 464 E CB -0.351 29.350 29.700 0.001 0.000 0.761 464 E HN 0.538 nan 8.360 nan 0.000 0.454 465 A N 1.086 123.901 122.820 -0.007 0.000 1.908 465 A HA -0.151 4.169 4.320 -0.001 0.000 0.218 465 A C 2.505 180.074 177.584 -0.026 0.000 1.181 465 A CA 1.500 53.527 52.037 -0.017 0.000 0.627 465 A CB -0.579 18.410 19.000 -0.019 0.000 0.818 465 A HN 0.125 nan 8.150 nan 0.000 0.445 466 V N -0.478 119.418 119.914 -0.030 0.000 2.488 466 V HA -0.149 3.971 4.120 -0.001 0.000 0.246 466 V C 2.701 178.757 176.094 -0.063 0.000 1.046 466 V CA 1.899 64.166 62.300 -0.055 0.000 1.053 466 V CB -0.717 31.063 31.823 -0.071 0.000 0.679 466 V HN 0.542 nan 8.190 nan 0.000 0.458 467 S N 0.978 116.650 115.700 -0.047 0.000 2.359 467 S HA -0.269 4.201 4.470 -0.001 0.000 0.222 467 S C 2.296 176.878 174.600 -0.030 0.000 1.038 467 S CA 1.789 59.966 58.200 -0.038 0.000 1.051 467 S CB -0.684 62.508 63.200 -0.014 0.000 0.944 467 S HN 0.653 nan 8.310 nan 0.000 0.433 468 A N 1.707 124.514 122.820 -0.021 0.000 1.892 468 A HA -0.189 4.130 4.320 -0.001 0.000 0.218 468 A C 2.140 179.709 177.584 -0.024 0.000 1.188 468 A CA 1.639 53.666 52.037 -0.017 0.000 0.631 468 A CB -0.657 18.334 19.000 -0.014 0.000 0.822 468 A HN 0.354 nan 8.150 nan 0.000 0.447 469 E N -0.006 120.175 120.200 -0.032 0.000 2.038 469 E HA -0.145 4.204 4.350 -0.001 0.000 0.195 469 E C 1.851 178.427 176.600 -0.041 0.000 1.000 469 E CA 1.370 57.748 56.400 -0.037 0.000 0.803 469 E CB -0.308 29.365 29.700 -0.044 0.000 0.750 469 E HN 0.667 nan 8.360 nan 0.000 0.448 470 L N -0.897 120.293 121.223 -0.055 0.000 2.592 470 L HA 0.209 4.549 4.340 -0.001 0.000 0.227 470 L C 1.232 178.076 176.870 -0.043 0.000 1.127 470 L CA 0.321 55.124 54.840 -0.062 0.000 0.884 470 L CB -0.108 41.889 42.059 -0.104 0.000 1.065 470 L HN 0.187 nan 8.230 nan 0.000 0.457 471 G N 1.504 110.286 108.800 -0.030 0.000 2.305 471 G HA2 -0.245 3.715 3.960 -0.001 0.000 0.287 471 G HA3 -0.245 3.715 3.960 -0.001 0.000 0.287 471 G C -0.011 174.887 174.900 -0.004 0.000 1.036 471 G CA 0.323 45.417 45.100 -0.011 0.000 0.887 471 G HN 0.177 nan 8.290 nan 0.000 0.505 472 V N 0.656 120.555 119.914 -0.026 0.000 2.513 472 V HA 0.566 4.686 4.120 -0.001 0.000 0.299 472 V C -1.812 174.295 176.094 0.022 0.000 1.035 472 V CA -2.050 60.245 62.300 -0.008 0.000 0.889 472 V CB 2.126 33.872 31.823 -0.128 0.000 0.988 472 V HN 0.155 nan 8.190 nan 0.000 0.440 473 P HA 0.233 nan 4.420 nan 0.000 0.276 473 P C -0.817 176.558 177.300 0.125 0.000 1.253 473 P CA -0.038 63.117 63.100 0.092 0.000 0.766 473 P CB 0.796 32.556 31.700 0.101 0.000 0.845 474 V N 4.893 124.848 119.914 0.067 0.000 2.325 474 V HA 0.343 4.463 4.120 -0.001 0.000 0.280 474 V C 0.630 176.738 176.094 0.023 0.000 1.016 474 V CA -0.790 61.556 62.300 0.077 0.000 0.818 474 V CB 0.890 32.735 31.823 0.036 0.000 1.019 474 V HN 0.438 nan 8.190 nan 0.000 0.434 475 R N 3.801 124.306 120.500 0.008 0.000 2.340 475 R HA 0.684 5.024 4.340 -0.001 0.000 0.300 475 R C -0.047 176.152 176.300 -0.169 0.000 1.069 475 R CA 0.177 56.203 56.100 -0.123 0.000 0.984 475 R CB 0.993 31.184 30.300 -0.180 0.000 1.003 475 R HN 0.796 nan 8.270 nan 0.000 0.459 476 A N 4.288 126.974 122.820 -0.223 0.000 2.337 476 A HA 0.596 4.916 4.320 -0.001 0.000 0.329 476 A C -1.638 175.780 177.584 -0.278 0.000 1.146 476 A CA -0.525 51.426 52.037 -0.144 0.000 0.800 476 A CB 0.824 19.820 19.000 -0.007 0.000 1.220 476 A HN 0.712 nan 8.150 nan 0.000 0.472 477 Y N 0.095 120.419 120.300 0.041 0.000 2.442 477 Y HA 0.642 5.191 4.550 -0.001 0.000 0.344 477 Y C 0.219 176.122 175.900 0.005 0.000 0.976 477 Y CA -0.582 57.523 58.100 0.008 0.000 1.040 477 Y CB 2.194 40.637 38.460 -0.030 0.000 1.228 477 Y HN 0.783 nan 8.280 nan 0.000 0.451 478 R N 2.250 122.866 120.500 0.194 0.000 2.480 478 R HA 0.692 5.032 4.340 -0.001 0.000 0.306 478 R C -1.479 174.858 176.300 0.062 0.000 0.958 478 R CA -0.715 55.453 56.100 0.114 0.000 0.861 478 R CB 1.268 31.636 30.300 0.114 0.000 1.171 478 R HN 0.580 nan 8.270 nan 0.000 0.445 479 V N 3.827 123.757 119.914 0.026 0.000 2.788 479 V HA 0.086 4.206 4.120 -0.001 0.000 0.307 479 V C 1.514 177.614 176.094 0.009 0.000 1.069 479 V CA 1.641 63.937 62.300 -0.007 0.000 1.173 479 V CB 1.072 32.888 31.823 -0.013 0.000 0.925 479 V HN 1.153 nan 8.190 nan 0.000 0.492 480 G N 2.496 111.293 108.800 -0.006 0.000 2.189 480 G HA2 -0.188 3.771 3.960 -0.001 0.000 0.267 480 G HA3 -0.188 3.771 3.960 -0.001 0.000 0.267 480 G C 0.487 175.401 174.900 0.023 0.000 0.975 480 G CA 0.742 45.845 45.100 0.005 0.000 0.644 480 G HN 1.410 nan 8.290 nan 0.000 0.537 481 A N -0.682 122.158 122.820 0.032 0.000 2.733 481 A HA 0.776 5.096 4.320 -0.001 0.000 0.210 481 A C 2.178 179.809 177.584 0.078 0.000 2.062 481 A CA 0.961 53.035 52.037 0.062 0.000 1.765 481 A CB -0.688 18.357 19.000 0.075 0.000 1.287 481 A HN 1.370 nan 8.150 nan 0.000 0.395 482 G N -1.004 107.857 108.800 0.102 0.000 2.920 482 G HA2 0.381 4.341 3.960 -0.001 0.000 0.208 482 G HA3 0.381 4.341 3.960 -0.001 0.000 0.208 482 G C -0.055 174.764 174.900 -0.137 0.000 1.159 482 G CA 0.713 45.873 45.100 0.100 0.000 0.784 482 G HN 0.419 nan 8.290 nan 0.000 0.535 483 L N 0.975 122.139 121.223 -0.098 0.000 2.404 483 L HA 0.510 4.849 4.340 -0.001 0.000 0.272 483 L C -0.518 176.268 176.870 -0.140 0.000 0.980 483 L CA -0.341 54.380 54.840 -0.199 0.000 0.836 483 L CB 2.037 43.966 42.059 -0.217 0.000 1.238 483 L HN -0.159 nan 8.230 nan 0.000 0.408 484 T N 3.155 117.618 114.554 -0.151 0.000 2.780 484 T HA 0.242 4.592 4.350 -0.001 0.000 0.294 484 T C -0.702 173.940 174.700 -0.097 0.000 0.949 484 T CA 0.048 62.091 62.100 -0.095 0.000 1.074 484 T CB 0.398 69.220 68.868 -0.077 0.000 0.910 484 T HN 0.448 nan 8.240 nan 0.000 0.501 485 D N 3.914 124.272 120.400 -0.071 0.000 2.460 485 D HA 0.346 4.986 4.640 -0.001 0.000 0.232 485 D C -1.528 174.743 176.300 -0.048 0.000 1.079 485 D CA -2.277 51.683 54.000 -0.067 0.000 0.864 485 D CB 1.756 42.520 40.800 -0.060 0.000 1.048 485 D HN 0.165 nan 8.370 nan 0.000 0.523 486 P HA -0.062 nan 4.420 nan 0.000 0.214 486 P C 0.968 178.248 177.300 -0.033 0.000 1.162 486 P CA 0.825 63.903 63.100 -0.037 0.000 0.874 486 P CB 0.208 31.884 31.700 -0.039 0.000 0.784 487 E N -0.512 119.665 120.200 -0.039 0.000 2.481 487 E HA 0.021 4.371 4.350 -0.001 0.000 0.195 487 E C -0.174 176.409 176.600 -0.029 0.000 1.047 487 E CA 0.430 56.810 56.400 -0.033 0.000 0.867 487 E CB -0.526 29.150 29.700 -0.039 0.000 0.858 487 E HN -0.106 nan 8.360 nan 0.000 0.513 488 S N -0.302 115.380 115.700 -0.031 0.000 3.797 488 S HA -0.166 4.303 4.470 -0.001 0.000 0.374 488 S C 0.363 174.950 174.600 -0.021 0.000 0.970 488 S CA 0.468 58.654 58.200 -0.024 0.000 1.177 488 S CB -1.674 61.516 63.200 -0.016 0.000 0.891 488 S HN 0.692 nan 8.310 nan 0.000 0.491 489 A N -0.917 121.887 122.820 -0.026 0.000 2.469 489 A HA 0.582 4.901 4.320 -0.001 0.000 0.245 489 A C 1.458 179.051 177.584 0.014 0.000 1.221 489 A CA 0.569 52.596 52.037 -0.016 0.000 0.946 489 A CB 0.322 19.304 19.000 -0.031 0.000 1.049 489 A HN 0.484 nan 8.150 nan 0.000 0.529 490 V N 0.089 120.008 119.914 0.008 0.000 2.323 490 V HA -0.171 3.949 4.120 -0.001 0.000 0.244 490 V C 2.683 178.829 176.094 0.087 0.000 1.041 490 V CA 2.492 64.820 62.300 0.046 0.000 1.025 490 V CB -0.517 31.257 31.823 -0.082 0.000 0.656 490 V HN 0.557 nan 8.190 nan 0.000 0.451 491 S N -0.213 115.503 115.700 0.026 0.000 2.359 491 S HA -0.335 4.134 4.470 -0.001 0.000 0.223 491 S C 1.974 176.599 174.600 0.041 0.000 1.039 491 S CA 2.245 60.461 58.200 0.026 0.000 1.042 491 S CB -0.374 62.831 63.200 0.009 0.000 0.915 491 S HN 0.743 nan 8.310 nan 0.000 0.439 492 E N 0.756 120.972 120.200 0.026 0.000 2.047 492 E HA -0.138 4.212 4.350 -0.001 0.000 0.191 492 E C 2.306 178.906 176.600 0.000 0.000 0.987 492 E CA 0.716 57.118 56.400 0.004 0.000 0.799 492 E CB 0.068 29.762 29.700 -0.010 0.000 0.752 492 E HN 0.172 nan 8.360 nan 0.000 0.449 493 R N -0.437 120.078 120.500 0.026 0.000 2.092 493 R HA -0.116 4.223 4.340 -0.001 0.000 0.231 493 R C 1.920 178.154 176.300 -0.111 0.000 1.119 493 R CA 1.100 57.178 56.100 -0.038 0.000 0.970 493 R CB -0.563 29.720 30.300 -0.028 0.000 0.864 493 R HN 0.381 nan 8.270 nan 0.000 0.440 494 Y N -0.116 120.141 120.300 -0.072 0.000 2.517 494 Y HA 0.155 4.705 4.550 -0.001 0.000 0.281 494 Y C 1.397 177.237 175.900 -0.100 0.000 1.125 494 Y CA 0.699 58.753 58.100 -0.077 0.000 1.283 494 Y CB 0.080 38.507 38.460 -0.055 0.000 1.042 494 Y HN 0.311 nan 8.280 nan 0.000 0.547 495 G N 1.557 110.376 108.800 0.031 0.000 2.246 495 G HA2 -0.287 3.672 3.960 -0.001 0.000 0.273 495 G HA3 -0.287 3.672 3.960 -0.001 0.000 0.273 495 G C 0.691 175.566 174.900 -0.041 0.000 1.055 495 G CA 0.671 45.755 45.100 -0.027 0.000 0.851 495 G HN 0.646 nan 8.290 nan 0.000 0.500 496 I N -2.727 117.832 120.570 -0.018 0.000 4.018 496 I HA 0.518 4.688 4.170 -0.001 0.000 0.337 496 I C 1.553 177.657 176.117 -0.021 0.000 1.327 496 I CA 0.249 61.515 61.300 -0.056 0.000 1.100 496 I CB 0.029 37.984 38.000 -0.075 0.000 1.025 496 I HN 1.069 nan 8.210 nan 0.000 0.396 497 G N 2.779 111.576 108.800 -0.004 0.000 2.578 497 G HA2 -0.364 3.595 3.960 -0.001 0.000 0.284 497 G HA3 -0.364 3.595 3.960 -0.001 0.000 0.284 497 G C 0.529 175.445 174.900 0.027 0.000 1.283 497 G CA 0.731 45.838 45.100 0.012 0.000 0.944 497 G HN 0.434 nan 8.290 nan 0.000 0.558 498 K N -0.145 120.280 120.400 0.040 0.000 2.186 498 K HA 0.361 4.681 4.320 -0.001 0.000 0.202 498 K C 2.674 179.330 176.600 0.094 0.000 1.052 498 K CA 1.311 57.630 56.287 0.054 0.000 0.965 498 K CB -0.022 32.505 32.500 0.045 0.000 0.746 498 K HN 0.623 nan 8.250 nan 0.000 0.457 499 A N 0.572 123.464 122.820 0.120 0.000 2.259 499 A HA 0.260 4.579 4.320 -0.001 0.000 0.213 499 A C 1.182 178.988 177.584 0.370 0.000 1.209 499 A CA 0.204 52.366 52.037 0.209 0.000 0.910 499 A CB 0.075 19.175 19.000 0.166 0.000 0.946 499 A HN 0.284 nan 8.150 nan 0.000 0.497 500 G N -0.618 108.303 108.800 0.202 0.000 2.529 500 G HA2 0.538 4.497 3.960 -0.001 0.000 0.277 500 G HA3 0.538 4.497 3.960 -0.001 0.000 0.277 500 G C -0.017 174.726 174.900 -0.261 0.000 1.383 500 G CA 0.357 45.491 45.100 0.057 0.000 1.050 500 G HN 1.307 nan 8.290 nan 0.000 0.526 501 A N -2.009 120.495 122.820 -0.527 0.000 2.608 501 A HA 0.679 4.999 4.320 -0.001 0.000 0.292 501 A C -0.683 176.668 177.584 -0.388 0.000 1.066 501 A CA -0.031 51.655 52.037 -0.585 0.000 0.676 501 A CB 1.429 19.704 19.000 -1.208 0.000 1.277 501 A HN 1.430 nan 8.150 nan 0.000 0.413 502 S N 0.235 115.830 115.700 -0.175 0.000 2.614 502 S HA 0.605 5.074 4.470 -0.001 0.000 0.288 502 S C -1.571 173.086 174.600 0.096 0.000 1.137 502 S CA -0.414 57.761 58.200 -0.041 0.000 0.992 502 S CB 0.882 64.121 63.200 0.065 0.000 1.026 502 S HN 1.443 nan 8.310 nan 0.000 0.486 503 L N 6.431 127.798 121.223 0.240 0.000 2.282 503 L HA 0.724 5.064 4.340 -0.001 0.000 0.288 503 L C -1.156 175.814 176.870 0.168 0.000 1.033 503 L CA -0.178 54.818 54.840 0.260 0.000 0.807 503 L CB 1.341 43.624 42.059 0.373 0.000 1.209 503 L HN 0.470 nan 8.230 nan 0.000 0.423 504 V N 6.103 126.040 119.914 0.037 0.000 2.448 504 V HA 0.531 4.650 4.120 -0.001 0.000 0.295 504 V C 0.549 176.422 176.094 -0.368 0.000 1.025 504 V CA -0.795 61.351 62.300 -0.257 0.000 0.859 504 V CB 1.505 32.891 31.823 -0.729 0.000 0.988 504 V HN 0.768 nan 8.190 nan 0.000 0.431 505 R N 4.555 124.691 120.500 -0.607 0.000 2.896 505 R HA 0.194 4.534 4.340 -0.001 0.000 0.283 505 R C -1.572 173.998 176.300 -1.216 0.000 1.201 505 R CA -0.903 54.374 56.100 -1.373 0.000 1.178 505 R CB -0.004 29.645 30.300 -1.085 0.000 1.152 505 R HN 0.413 nan 8.270 nan 0.000 0.590 506 P HA -0.070 nan 4.420 nan 0.000 0.229 506 P C -0.337 176.574 177.300 -0.647 0.000 1.160 506 P CA 1.072 63.521 63.100 -1.085 0.000 0.777 506 P CB 0.189 31.057 31.700 -1.387 0.000 0.814 507 D N -2.667 117.338 120.400 -0.659 0.000 2.369 507 D HA 0.177 4.816 4.640 -0.001 0.000 0.211 507 D C 1.300 177.429 176.300 -0.286 0.000 1.077 507 D CA 0.255 54.098 54.000 -0.262 0.000 0.842 507 D CB -0.617 40.195 40.800 0.020 0.000 0.947 507 D HN 0.126 nan 8.370 nan 0.000 0.509 508 G N 0.275 108.861 108.800 -0.357 0.000 2.144 508 G HA2 -0.175 3.785 3.960 -0.001 0.000 0.218 508 G HA3 -0.175 3.785 3.960 -0.001 0.000 0.218 508 G C -0.174 174.499 174.900 -0.378 0.000 0.988 508 G CA -0.083 44.807 45.100 -0.349 0.000 0.659 508 G HN 0.292 nan 8.290 nan 0.000 0.522 509 I N 0.981 121.358 120.570 -0.321 0.000 2.498 509 I HA 0.457 4.627 4.170 -0.001 0.000 0.301 509 I C 0.791 176.794 176.117 -0.191 0.000 0.984 509 I CA -0.920 60.254 61.300 -0.210 0.000 1.204 509 I CB 1.720 39.687 38.000 -0.055 0.000 1.362 509 I HN -0.143 nan 8.210 nan 0.000 0.471 510 V N 5.311 125.158 119.914 -0.112 0.000 2.432 510 V HA 0.262 4.382 4.120 -0.001 0.000 0.271 510 V C 1.081 177.207 176.094 0.054 0.000 1.046 510 V CA -0.118 62.158 62.300 -0.039 0.000 0.945 510 V CB 1.098 32.911 31.823 -0.016 0.000 0.992 510 V HN 0.988 nan 8.190 nan 0.000 0.471 511 A N 4.710 127.616 122.820 0.143 0.000 2.044 511 A HA 0.258 4.578 4.320 -0.001 0.000 0.213 511 A C 0.273 178.052 177.584 0.325 0.000 1.169 511 A CA 0.346 52.536 52.037 0.255 0.000 0.724 511 A CB 0.149 19.390 19.000 0.400 0.000 0.840 511 A HN 0.909 nan 8.150 nan 0.000 0.463 512 W N -0.488 120.847 121.300 0.059 0.000 3.319 512 W HA 0.497 5.157 4.660 -0.001 0.000 0.300 512 W C -1.276 175.240 176.519 -0.006 0.000 1.244 512 W CA -0.577 56.787 57.345 0.031 0.000 1.193 512 W CB 0.606 30.087 29.460 0.035 0.000 1.359 512 W HN 0.373 nan 8.180 nan 0.000 0.568 513 R N 2.067 121.875 120.500 -1.153 0.000 2.728 513 R HA 0.888 5.227 4.340 -0.001 0.000 0.274 513 R C -1.779 173.619 176.300 -1.504 0.000 1.030 513 R CA -0.903 54.438 56.100 -1.265 0.000 0.876 513 R CB 2.017 32.019 30.300 -0.497 0.000 1.259 513 R HN 0.342 nan 8.270 nan 0.000 0.468 514 T N 0.486 114.421 114.554 -1.032 0.000 2.900 514 T HA 0.212 4.561 4.350 -0.001 0.000 0.303 514 T C -0.955 173.588 174.700 -0.261 0.000 1.142 514 T CA -0.595 61.194 62.100 -0.518 0.000 1.007 514 T CB 1.684 70.385 68.868 -0.280 0.000 1.156 514 T HN 0.741 nan 8.240 nan 0.000 0.490 515 D N -0.046 120.280 120.400 -0.123 0.000 2.388 515 D HA 0.128 4.767 4.640 -0.001 0.000 0.221 515 D C 0.459 176.775 176.300 0.027 0.000 1.133 515 D CA -0.319 53.651 54.000 -0.050 0.000 0.831 515 D CB 0.369 41.141 40.800 -0.047 0.000 0.962 515 D HN 0.816 nan 8.370 nan 0.000 0.502 516 E N -1.142 119.109 120.200 0.085 0.000 2.442 516 E HA 0.671 5.021 4.350 -0.001 0.000 0.271 516 E C -1.232 175.536 176.600 0.281 0.000 1.002 516 E CA -1.507 54.979 56.400 0.143 0.000 0.864 516 E CB 0.886 30.647 29.700 0.103 0.000 1.573 516 E HN -0.051 nan 8.360 nan 0.000 0.456 517 A N 0.379 123.342 122.820 0.239 0.000 2.316 517 A HA 0.700 5.020 4.320 -0.001 0.000 0.284 517 A C -0.036 177.665 177.584 0.194 0.000 1.115 517 A CA 0.044 52.230 52.037 0.248 0.000 0.812 517 A CB 0.741 19.789 19.000 0.079 0.000 1.064 517 A HN 0.685 nan 8.150 nan 0.000 0.489 518 A N 0.513 123.402 122.820 0.114 0.000 2.271 518 A HA 0.613 4.933 4.320 -0.001 0.000 0.288 518 A C 1.449 179.004 177.584 -0.049 0.000 1.094 518 A CA 0.153 52.236 52.037 0.076 0.000 0.828 518 A CB 0.015 19.076 19.000 0.101 0.000 1.091 518 A HN 1.949 nan 8.150 nan 0.000 0.493 519 A N -0.136 122.678 122.820 -0.009 0.000 1.883 519 A HA 0.005 4.324 4.320 -0.001 0.000 0.217 519 A C 0.830 178.366 177.584 -0.081 0.000 1.186 519 A CA 2.121 54.138 52.037 -0.034 0.000 0.624 519 A CB -0.192 18.804 19.000 -0.006 0.000 0.822 519 A HN 0.813 nan 8.150 nan 0.000 0.444 520 D N -2.274 118.072 120.400 -0.091 0.000 2.476 520 D HA 0.542 5.182 4.640 -0.001 0.000 0.251 520 D C 0.530 176.731 176.300 -0.166 0.000 1.291 520 D CA 0.242 54.171 54.000 -0.118 0.000 0.939 520 D CB 1.511 42.270 40.800 -0.068 0.000 1.221 520 D HN 0.077 nan 8.370 nan 0.000 0.567 521 A N 3.243 125.878 122.820 -0.310 0.000 1.969 521 A HA 0.094 4.414 4.320 -0.001 0.000 0.218 521 A C 1.966 179.473 177.584 -0.128 0.000 1.169 521 A CA 1.754 53.502 52.037 -0.482 0.000 0.635 521 A CB -0.180 18.314 19.000 -0.845 0.000 0.810 521 A HN 0.595 nan 8.150 nan 0.000 0.445 522 A N -0.994 121.765 122.820 -0.101 0.000 1.898 522 A HA -0.112 4.207 4.320 -0.001 0.000 0.214 522 A C 2.193 179.751 177.584 -0.043 0.000 1.183 522 A CA 1.469 53.478 52.037 -0.046 0.000 0.622 522 A CB -0.480 18.490 19.000 -0.051 0.000 0.824 522 A HN 0.593 nan 8.150 nan 0.000 0.444 523 Q N -0.292 119.480 119.800 -0.048 0.000 2.050 523 Q HA -0.163 4.177 4.340 -0.001 0.000 0.202 523 Q C 1.994 177.969 176.000 -0.042 0.000 0.980 523 Q CA 2.213 57.991 55.803 -0.042 0.000 0.840 523 Q CB -0.392 28.325 28.738 -0.035 0.000 0.898 523 Q HN 0.559 nan 8.270 nan 0.000 0.424 524 T N 1.960 116.503 114.554 -0.018 0.000 2.684 524 T HA -0.183 4.166 4.350 -0.001 0.000 0.267 524 T C 1.794 176.417 174.700 -0.128 0.000 1.036 524 T CA 1.407 63.501 62.100 -0.009 0.000 1.148 524 T CB -0.325 68.629 68.868 0.142 0.000 0.863 524 T HN 0.211 nan 8.240 nan 0.000 0.436 525 L N 1.086 122.265 121.223 -0.074 0.000 2.141 525 L HA 0.054 4.394 4.340 -0.001 0.000 0.209 525 L C 2.414 179.164 176.870 -0.200 0.000 1.094 525 L CA 1.703 56.435 54.840 -0.179 0.000 0.763 525 L CB -0.492 41.565 42.059 -0.003 0.000 0.908 525 L HN 0.289 nan 8.230 nan 0.000 0.437 526 E N -1.267 118.854 120.200 -0.133 0.000 2.208 526 E HA -0.116 4.234 4.350 -0.001 0.000 0.193 526 E C 2.028 178.543 176.600 -0.142 0.000 0.988 526 E CA 0.809 57.131 56.400 -0.130 0.000 0.828 526 E CB -0.207 29.440 29.700 -0.088 0.000 0.763 526 E HN 0.563 nan 8.360 nan 0.000 0.478 527 G N 0.535 109.252 108.800 -0.139 0.000 2.403 527 G HA2 -0.167 3.793 3.960 -0.001 0.000 0.216 527 G HA3 -0.167 3.793 3.960 -0.001 0.000 0.216 527 G C 1.621 176.421 174.900 -0.168 0.000 1.154 527 G CA 0.580 45.607 45.100 -0.123 0.000 0.784 527 G HN 0.192 nan 8.290 nan 0.000 0.538 528 V N 0.740 120.485 119.914 -0.281 0.000 2.295 528 V HA -0.111 4.008 4.120 -0.001 0.000 0.246 528 V C 2.888 178.815 176.094 -0.279 0.000 1.049 528 V CA 1.476 63.546 62.300 -0.383 0.000 1.024 528 V CB -0.348 30.968 31.823 -0.844 0.000 0.648 528 V HN 0.321 nan 8.190 nan 0.000 0.447 529 L N -0.898 120.146 121.223 -0.298 0.000 2.093 529 L HA -0.122 4.218 4.340 -0.001 0.000 0.208 529 L C 2.754 179.488 176.870 -0.227 0.000 1.085 529 L CA 1.421 56.068 54.840 -0.321 0.000 0.755 529 L CB -0.456 41.382 42.059 -0.369 0.000 0.904 529 L HN 0.199 nan 8.230 nan 0.000 0.435 530 R N -0.602 119.799 120.500 -0.165 0.000 2.105 530 R HA -0.220 4.120 4.340 -0.001 0.000 0.239 530 R C 2.385 178.640 176.300 -0.075 0.000 1.135 530 R CA 1.572 57.608 56.100 -0.107 0.000 0.967 530 R CB -0.271 29.979 30.300 -0.083 0.000 0.861 530 R HN 0.303 nan 8.270 nan 0.000 0.442 531 R N 0.593 121.048 120.500 -0.074 0.000 2.055 531 R HA -0.101 4.238 4.340 -0.001 0.000 0.228 531 R C 2.305 178.604 176.300 -0.001 0.000 1.143 531 R CA 1.707 57.788 56.100 -0.031 0.000 0.945 531 R CB -0.208 30.076 30.300 -0.027 0.000 0.841 531 R HN 0.224 nan 8.270 nan 0.000 0.429 532 V N -0.799 119.120 119.914 0.008 0.000 2.626 532 V HA -0.068 4.052 4.120 -0.001 0.000 0.252 532 V C 1.769 177.924 176.094 0.100 0.000 1.067 532 V CA 1.447 63.803 62.300 0.092 0.000 1.081 532 V CB -0.448 31.493 31.823 0.196 0.000 0.686 532 V HN 0.244 nan 8.190 nan 0.000 0.468 533 L N 0.549 121.782 121.223 0.015 0.000 2.592 533 L HA 0.274 4.614 4.340 -0.001 0.000 0.227 533 L C 1.100 177.982 176.870 0.020 0.000 1.127 533 L CA 0.827 55.686 54.840 0.033 0.000 0.884 533 L CB -0.629 41.403 42.059 -0.045 0.000 1.065 533 L HN 0.520 nan 8.230 nan 0.000 0.457 534 D N 1.004 121.411 120.400 0.013 0.000 2.723 534 D HA -0.187 4.452 4.640 -0.001 0.000 0.236 534 D C 0.265 176.564 176.300 -0.001 0.000 1.138 534 D CA 0.615 54.620 54.000 0.009 0.000 0.676 534 D CB -0.053 40.758 40.800 0.019 0.000 1.069 534 D HN 0.256 nan 8.370 nan 0.000 0.430 535 R N 0.000 120.490 120.500 -0.017 0.000 2.786 535 R HA 0.000 4.340 4.340 -0.001 0.000 0.208 535 R CA 0.000 56.088 56.100 -0.020 0.000 0.921 535 R CB 0.000 30.280 30.300 -0.033 0.000 0.687 535 R HN 0.000 nan 8.270 nan 0.000 0.535