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 2wh1_1_Y DATA FIRST_RESID 6 DATA SEQUENCE LAQRLEGLRG YLDIPQKETR LKELERRLED PSLWNDPEAA RKVSQEAARL DATA SEQUENCE RRTVDTFRSL ESDLQGLLEL MEELPAEERE ALKPELEEAA KKLDELYHQT DATA SEQUENCE LLNFPHAEKN AILTIQPGAG GTEACDWAEM LLRMYTRFAE RQGFQVEVVD DATA SEQUENCE LTPGPEAGID YAQILVKGEN AYGLLSPEAG VHRLVRPSPF DASGRRHTSF DATA SEQUENCE AGVEVIPEVD EEVEVVLKPE ELRIDVMRAS GPGGQGVNTT DSAVRVVHLP DATA SEQUENCE TGITVTCQTT RSQIKNKELA LKILKARLYE LERKKREEEL KALRGEVEPI DATA SEQUENCE EWGSQIRSYV LDKNYVKDHR TGLMRHDPEN VLDGDLMDLI WAGLEWKAGR DATA SEQUENCE R 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 6 L HA 0.000 nan 4.340 nan 0.000 0.249 6 L C 0.000 176.801 176.870 -0.116 0.000 1.165 6 L CA 0.000 54.886 54.840 0.076 0.000 0.813 6 L CB 0.000 42.168 42.059 0.182 0.000 0.961 7 A N 0.139 122.918 122.820 -0.068 0.000 1.861 7 A HA -0.025 4.295 4.320 -0.000 0.000 0.212 7 A C 1.895 179.390 177.584 -0.149 0.000 1.199 7 A CA 1.314 53.285 52.037 -0.110 0.000 0.613 7 A CB -0.347 18.635 19.000 -0.029 0.000 0.846 7 A HN 0.593 nan 8.150 nan 0.000 0.446 8 Q N -0.734 119.006 119.800 -0.100 0.000 2.230 8 Q HA -0.084 4.256 4.340 -0.000 0.000 0.202 8 Q C 2.091 177.980 176.000 -0.185 0.000 0.963 8 Q CA 1.306 57.044 55.803 -0.107 0.000 0.866 8 Q CB -0.107 28.598 28.738 -0.055 0.000 0.931 8 Q HN 0.725 nan 8.270 nan 0.000 0.452 9 R N 1.326 121.714 120.500 -0.187 0.000 2.156 9 R HA -0.051 4.289 4.340 -0.000 0.000 0.207 9 R C 2.421 178.535 176.300 -0.311 0.000 1.040 9 R CA 0.390 56.369 56.100 -0.201 0.000 1.013 9 R CB -0.183 30.058 30.300 -0.100 0.000 0.931 9 R HN 0.192 nan 8.270 nan 0.000 0.465 10 L N 0.806 121.712 121.223 -0.527 0.000 2.058 10 L HA -0.295 4.045 4.340 -0.000 0.000 0.226 10 L C 1.685 178.247 176.870 -0.513 0.000 1.089 10 L CA 2.037 56.265 54.840 -1.019 0.000 0.799 10 L CB -1.273 39.815 42.059 -1.618 0.000 0.900 10 L HN 0.060 nan 8.230 nan 0.000 0.442 11 E N 1.121 121.053 120.200 -0.447 0.000 2.028 11 E HA -0.251 4.099 4.350 -0.000 0.000 0.217 11 E C 2.240 178.675 176.600 -0.274 0.000 1.039 11 E CA 1.700 57.852 56.400 -0.414 0.000 0.882 11 E CB -1.417 27.828 29.700 -0.758 0.000 0.794 11 E HN 0.586 nan 8.360 nan 0.000 0.488 12 G N 2.173 110.755 108.800 -0.363 0.000 2.853 12 G HA2 -0.308 3.652 3.960 -0.000 0.000 0.234 12 G HA3 -0.308 3.652 3.960 -0.000 0.000 0.234 12 G C 0.939 175.873 174.900 0.058 0.000 1.198 12 G CA 1.279 46.325 45.100 -0.091 0.000 0.767 12 G HN 0.289 nan 8.290 nan 0.000 0.657 13 L N 1.057 122.307 121.223 0.045 0.000 2.388 13 L HA 0.434 4.774 4.340 -0.000 0.000 0.252 13 L C 1.173 178.119 176.870 0.125 0.000 1.357 13 L CA 0.504 55.400 54.840 0.095 0.000 1.214 13 L CB -0.603 41.523 42.059 0.113 0.000 1.392 13 L HN 0.348 nan 8.230 nan 0.000 0.432 14 R N 1.075 121.644 120.500 0.114 0.000 2.359 14 R HA 0.273 4.612 4.340 -0.000 0.000 0.242 14 R C 0.853 177.208 176.300 0.091 0.000 0.809 14 R CA 0.207 56.373 56.100 0.111 0.000 1.067 14 R CB 0.393 30.773 30.300 0.133 0.000 1.693 14 R HN 0.461 nan 8.270 nan 0.000 0.451 15 G N 1.266 110.125 108.800 0.097 0.000 2.141 15 G HA2 -0.377 3.583 3.960 -0.000 0.000 0.195 15 G HA3 -0.377 3.583 3.960 -0.000 0.000 0.195 15 G C 0.302 175.250 174.900 0.079 0.000 1.012 15 G CA 0.252 45.391 45.100 0.065 0.000 0.696 15 G HN 0.296 nan 8.290 nan 0.000 0.508 16 Y N 0.374 120.667 120.300 -0.012 0.000 2.062 16 Y HA -0.227 4.323 4.550 -0.000 0.000 0.273 16 Y C 2.233 178.115 175.900 -0.030 0.000 1.206 16 Y CA 2.711 60.792 58.100 -0.031 0.000 1.125 16 Y CB -0.262 38.167 38.460 -0.052 0.000 0.951 16 Y HN 0.367 nan 8.280 nan 0.000 0.501 17 L N -1.034 120.047 121.223 -0.237 0.000 2.470 17 L HA 0.035 4.375 4.340 -0.000 0.000 0.219 17 L C 2.181 178.968 176.870 -0.138 0.000 1.071 17 L CA 0.669 55.322 54.840 -0.311 0.000 0.850 17 L CB -0.408 41.514 42.059 -0.229 0.000 1.040 17 L HN 0.180 nan 8.230 nan 0.000 0.475 18 D N 1.266 121.630 120.400 -0.061 0.000 2.084 18 D HA -0.160 4.480 4.640 -0.000 0.000 0.199 18 D C 2.238 178.519 176.300 -0.032 0.000 0.981 18 D CA 1.315 55.296 54.000 -0.032 0.000 0.841 18 D CB 0.240 41.038 40.800 -0.003 0.000 0.997 18 D HN 0.025 nan 8.370 nan 0.000 0.454 19 I N 2.447 123.007 120.570 -0.018 0.000 2.113 19 I HA -0.215 3.955 4.170 -0.000 0.000 0.242 19 I C -0.724 175.377 176.117 -0.027 0.000 1.064 19 I CA 1.297 62.590 61.300 -0.011 0.000 1.320 19 I CB -2.789 35.217 38.000 0.009 0.000 1.028 19 I HN 0.191 nan 8.210 nan 0.000 0.406 20 P HA -0.134 nan 4.420 nan 0.000 0.240 20 P C 0.996 178.263 177.300 -0.054 0.000 1.186 20 P CA 1.230 64.293 63.100 -0.061 0.000 0.755 20 P CB 0.085 31.719 31.700 -0.111 0.000 0.870 21 Q N -0.720 119.054 119.800 -0.045 0.000 2.422 21 Q HA 0.065 4.405 4.340 -0.000 0.000 0.255 21 Q C 1.974 177.960 176.000 -0.023 0.000 0.864 21 Q CA 0.713 56.495 55.803 -0.036 0.000 0.968 21 Q CB -0.302 28.413 28.738 -0.039 0.000 1.130 21 Q HN 0.176 nan 8.270 nan 0.000 0.556 22 K N 2.450 122.839 120.400 -0.018 0.000 2.167 22 K HA -0.100 4.220 4.320 -0.000 0.000 0.203 22 K C 1.718 178.313 176.600 -0.007 0.000 1.052 22 K CA 1.581 57.862 56.287 -0.011 0.000 0.956 22 K CB 0.006 32.502 32.500 -0.007 0.000 0.735 22 K HN 0.298 nan 8.250 nan 0.000 0.451 23 E N 0.096 120.291 120.200 -0.008 0.000 2.065 23 E HA -0.260 4.090 4.350 -0.000 0.000 0.201 23 E C 1.327 177.925 176.600 -0.003 0.000 1.016 23 E CA 2.050 58.447 56.400 -0.004 0.000 0.818 23 E CB -1.094 28.603 29.700 -0.006 0.000 0.749 23 E HN 0.426 nan 8.360 nan 0.000 0.453 24 T N -1.571 112.978 114.554 -0.007 0.000 3.163 24 T HA 0.095 4.445 4.350 -0.000 0.000 0.260 24 T C 1.661 176.358 174.700 -0.004 0.000 1.156 24 T CA 0.471 62.568 62.100 -0.006 0.000 1.072 24 T CB -0.050 68.813 68.868 -0.009 0.000 0.937 24 T HN 0.155 nan 8.240 nan 0.000 0.528 25 R N 0.135 120.632 120.500 -0.004 0.000 2.200 25 R HA 0.326 4.666 4.340 -0.000 0.000 0.208 25 R C 2.045 178.345 176.300 -0.001 0.000 1.033 25 R CA 0.307 56.405 56.100 -0.004 0.000 1.000 25 R CB -0.390 29.907 30.300 -0.005 0.000 0.906 25 R HN 0.367 nan 8.270 nan 0.000 0.462 26 L N 0.908 122.132 121.223 0.001 0.000 1.950 26 L HA -0.161 4.179 4.340 -0.000 0.000 0.210 26 L C 2.024 178.897 176.870 0.006 0.000 1.079 26 L CA 1.530 56.373 54.840 0.005 0.000 0.754 26 L CB -0.503 41.560 42.059 0.007 0.000 0.889 26 L HN 0.013 nan 8.230 nan 0.000 0.433 27 K N -0.197 120.207 120.400 0.006 0.000 2.286 27 K HA -0.208 4.112 4.320 -0.000 0.000 0.203 27 K C 1.920 178.522 176.600 0.005 0.000 1.045 27 K CA 0.926 57.217 56.287 0.006 0.000 0.935 27 K CB -0.148 32.356 32.500 0.005 0.000 0.737 27 K HN 0.309 nan 8.250 nan 0.000 0.460 28 E N 1.145 121.346 120.200 0.002 0.000 2.002 28 E HA -0.221 4.129 4.350 -0.000 0.000 0.205 28 E C 1.891 178.492 176.600 0.003 0.000 1.020 28 E CA 1.364 57.765 56.400 0.001 0.000 0.856 28 E CB -0.199 29.500 29.700 -0.001 0.000 0.788 28 E HN 0.275 nan 8.360 nan 0.000 0.477 29 L N 1.007 122.232 121.223 0.003 0.000 2.362 29 L HA -0.166 4.174 4.340 -0.000 0.000 0.219 29 L C 2.390 179.264 176.870 0.007 0.000 1.134 29 L CA 0.634 55.476 54.840 0.003 0.000 0.807 29 L CB -0.140 41.920 42.059 0.002 0.000 0.927 29 L HN 0.177 nan 8.230 nan 0.000 0.447 30 E N 1.087 121.292 120.200 0.008 0.000 2.007 30 E HA -0.192 4.158 4.350 -0.000 0.000 0.203 30 E C 0.854 177.462 176.600 0.012 0.000 1.020 30 E CA 1.292 57.699 56.400 0.012 0.000 0.845 30 E CB -0.104 29.603 29.700 0.012 0.000 0.779 30 E HN 0.299 nan 8.360 nan 0.000 0.466 31 R N -0.117 120.389 120.500 0.010 0.000 2.905 31 R HA 0.147 4.487 4.340 -0.000 0.000 0.273 31 R C -0.132 176.173 176.300 0.009 0.000 1.033 31 R CA 0.290 56.395 56.100 0.009 0.000 1.182 31 R CB -0.044 30.260 30.300 0.007 0.000 1.097 31 R HN 0.118 nan 8.270 nan 0.000 0.504 32 R N 0.042 120.548 120.500 0.009 0.000 2.958 32 R HA -0.139 4.201 4.340 -0.000 0.000 0.277 32 R C -0.717 175.590 176.300 0.011 0.000 0.940 32 R CA 0.166 56.272 56.100 0.009 0.000 0.664 32 R CB -1.883 28.421 30.300 0.007 0.000 1.551 32 R HN 0.529 nan 8.270 nan 0.000 0.455 33 L N 2.698 123.929 121.223 0.013 0.000 2.717 33 L HA -0.060 4.280 4.340 -0.000 0.000 0.281 33 L C 0.946 177.826 176.870 0.016 0.000 1.329 33 L CA 0.615 55.465 54.840 0.017 0.000 1.202 33 L CB -0.542 41.528 42.059 0.018 0.000 1.425 33 L HN 0.435 nan 8.230 nan 0.000 0.438 34 E N 1.791 121.999 120.200 0.015 0.000 1.909 34 E HA -0.080 4.270 4.350 -0.000 0.000 0.253 34 E C -0.316 176.294 176.600 0.017 0.000 1.268 34 E CA -0.432 55.976 56.400 0.013 0.000 0.999 34 E CB -0.195 29.510 29.700 0.009 0.000 1.072 34 E HN 0.363 nan 8.360 nan 0.000 0.428 35 D N 2.734 123.145 120.400 0.018 0.000 2.779 35 D HA -0.147 4.493 4.640 -0.000 0.000 0.223 35 D C -1.825 174.493 176.300 0.031 0.000 1.227 35 D CA 0.416 54.430 54.000 0.022 0.000 0.653 35 D CB -0.681 40.130 40.800 0.019 0.000 0.973 35 D HN 0.500 nan 8.370 nan 0.000 0.402 36 P HA -0.077 nan 4.420 nan 0.000 0.212 36 P C 0.430 177.771 177.300 0.069 0.000 1.069 36 P CA 0.528 63.658 63.100 0.050 0.000 1.331 36 P CB 0.387 32.117 31.700 0.050 0.000 1.513 37 S N 3.547 119.288 115.700 0.068 0.000 2.582 37 S HA 0.126 4.596 4.470 -0.000 0.000 0.159 37 S C 0.284 174.973 174.600 0.148 0.000 0.918 37 S CA -0.244 58.009 58.200 0.089 0.000 1.287 37 S CB -0.236 62.998 63.200 0.057 0.000 0.667 37 S HN 0.100 nan 8.310 nan 0.000 0.462 38 L N 3.302 124.582 121.223 0.094 0.000 2.628 38 L HA 0.090 4.430 4.340 -0.000 0.000 0.274 38 L C 0.046 176.951 176.870 0.058 0.000 1.209 38 L CA 0.287 55.150 54.840 0.039 0.000 0.930 38 L CB -1.965 40.007 42.059 -0.145 0.000 1.183 38 L HN 0.726 nan 8.230 nan 0.000 0.492 39 W N 5.317 126.620 121.300 0.005 0.000 2.304 39 W HA 0.452 5.112 4.660 -0.000 0.000 0.313 39 W C 0.248 176.771 176.519 0.006 0.000 1.323 39 W CA -0.633 56.715 57.345 0.005 0.000 1.223 39 W CB 0.248 29.712 29.460 0.006 0.000 1.237 39 W HN 0.523 nan 8.180 nan 0.000 0.535 40 N N 1.856 120.540 118.700 -0.027 0.000 3.174 40 N HA -0.160 4.580 4.740 -0.000 0.000 0.286 40 N C 1.129 176.636 175.510 -0.006 0.000 1.151 40 N CA 0.347 53.334 53.050 -0.105 0.000 1.386 40 N CB -0.627 37.772 38.487 -0.145 0.000 0.951 40 N HN 0.698 nan 8.380 nan 0.000 1.170 41 D N 2.797 123.197 120.400 0.001 0.000 2.144 41 D HA -0.046 4.594 4.640 -0.000 0.000 0.199 41 D C -0.976 175.349 176.300 0.041 0.000 0.984 41 D CA 0.899 54.909 54.000 0.017 0.000 0.834 41 D CB -0.739 40.067 40.800 0.010 0.000 0.955 41 D HN 0.113 nan 8.370 nan 0.000 0.465 42 P HA -0.239 nan 4.420 nan 0.000 0.222 42 P C 1.280 178.622 177.300 0.070 0.000 1.157 42 P CA 1.636 64.778 63.100 0.070 0.000 0.905 42 P CB -0.198 31.562 31.700 0.101 0.000 0.792 43 E N 1.168 121.422 120.200 0.090 0.000 1.997 43 E HA -0.124 4.226 4.350 -0.000 0.000 0.201 43 E C 1.741 178.375 176.600 0.056 0.000 1.011 43 E CA 1.418 57.868 56.400 0.082 0.000 0.847 43 E CB -1.541 28.222 29.700 0.106 0.000 0.787 43 E HN 0.218 nan 8.360 nan 0.000 0.472 44 A N 0.916 123.764 122.820 0.048 0.000 3.004 44 A HA 0.402 4.722 4.320 -0.000 0.000 0.252 44 A C 1.116 178.718 177.584 0.030 0.000 1.802 44 A CA 0.736 52.795 52.037 0.035 0.000 1.424 44 A CB -0.823 18.195 19.000 0.029 0.000 1.005 44 A HN 0.337 nan 8.150 nan 0.000 0.631 45 A N 0.367 123.207 122.820 0.032 0.000 2.042 45 A HA 0.232 4.552 4.320 -0.000 0.000 0.207 45 A C 2.022 179.620 177.584 0.024 0.000 1.598 45 A CA 0.649 52.702 52.037 0.027 0.000 0.818 45 A CB -0.130 18.890 19.000 0.032 0.000 1.169 45 A HN 0.516 nan 8.150 nan 0.000 0.548 46 R N -0.047 120.468 120.500 0.025 0.000 2.112 46 R HA 0.063 4.403 4.340 -0.000 0.000 0.216 46 R C 2.096 178.410 176.300 0.022 0.000 1.080 46 R CA 1.269 57.383 56.100 0.022 0.000 0.996 46 R CB -0.179 30.134 30.300 0.022 0.000 0.902 46 R HN 0.416 nan 8.270 nan 0.000 0.449 47 K N 0.542 120.957 120.400 0.025 0.000 2.103 47 K HA -0.119 4.201 4.320 -0.000 0.000 0.207 47 K C 1.862 178.477 176.600 0.024 0.000 1.048 47 K CA 1.814 58.116 56.287 0.025 0.000 0.930 47 K CB 0.016 32.533 32.500 0.028 0.000 0.716 47 K HN 0.242 nan 8.250 nan 0.000 0.444 48 V N -2.350 117.578 119.914 0.023 0.000 2.871 48 V HA -0.068 4.052 4.120 -0.000 0.000 0.256 48 V C 2.045 178.151 176.094 0.019 0.000 1.082 48 V CA 1.739 64.052 62.300 0.021 0.000 1.105 48 V CB 0.085 31.920 31.823 0.019 0.000 0.713 48 V HN 0.214 nan 8.190 nan 0.000 0.473 49 S N 0.106 115.817 115.700 0.018 0.000 2.348 49 S HA -0.250 4.220 4.470 -0.000 0.000 0.219 49 S C 2.166 176.776 174.600 0.017 0.000 1.033 49 S CA 1.733 59.943 58.200 0.016 0.000 0.974 49 S CB -0.425 62.784 63.200 0.015 0.000 0.868 49 S HN 0.766 nan 8.310 nan 0.000 0.459 50 Q N 0.961 120.772 119.800 0.019 0.000 2.173 50 Q HA -0.265 4.075 4.340 -0.000 0.000 0.208 50 Q C 2.073 178.087 176.000 0.023 0.000 0.989 50 Q CA 2.234 58.049 55.803 0.020 0.000 0.872 50 Q CB -0.445 28.306 28.738 0.021 0.000 0.909 50 Q HN 0.798 nan 8.270 nan 0.000 0.420 51 E N -0.149 120.065 120.200 0.024 0.000 2.070 51 E HA -0.289 4.061 4.350 -0.000 0.000 0.197 51 E C 1.631 178.247 176.600 0.027 0.000 1.004 51 E CA 1.257 57.673 56.400 0.027 0.000 0.805 51 E CB -0.313 29.403 29.700 0.027 0.000 0.744 51 E HN 0.468 nan 8.360 nan 0.000 0.451 52 A N 1.848 124.680 122.820 0.021 0.000 1.873 52 A HA -0.113 4.207 4.320 -0.000 0.000 0.211 52 A C 2.506 180.102 177.584 0.020 0.000 1.218 52 A CA 2.299 54.346 52.037 0.017 0.000 0.659 52 A CB -1.501 17.504 19.000 0.010 0.000 0.853 52 A HN 0.510 nan 8.150 nan 0.000 0.466 53 A N -1.000 121.831 122.820 0.017 0.000 2.285 53 A HA -0.140 4.180 4.320 -0.000 0.000 0.214 53 A C 2.010 179.611 177.584 0.028 0.000 1.188 53 A CA 1.621 53.670 52.037 0.020 0.000 0.707 53 A CB -0.648 18.363 19.000 0.017 0.000 0.771 53 A HN 0.582 nan 8.150 nan 0.000 0.488 54 R N -0.765 119.753 120.500 0.031 0.000 2.317 54 R HA 0.272 4.612 4.340 -0.000 0.000 0.208 54 R C 1.354 177.681 176.300 0.045 0.000 0.914 54 R CA 0.085 56.206 56.100 0.035 0.000 1.060 54 R CB -0.177 30.142 30.300 0.032 0.000 1.015 54 R HN 0.549 nan 8.270 nan 0.000 0.498 55 L N 0.459 121.711 121.223 0.049 0.000 2.492 55 L HA 0.068 4.408 4.340 -0.000 0.000 0.223 55 L C 2.285 179.202 176.870 0.078 0.000 1.132 55 L CA 0.422 55.303 54.840 0.068 0.000 0.850 55 L CB -0.069 42.031 42.059 0.069 0.000 0.966 55 L HN 0.176 nan 8.230 nan 0.000 0.454 56 R N -0.181 120.358 120.500 0.064 0.000 2.090 56 R HA -0.036 4.304 4.340 -0.000 0.000 0.219 56 R C 2.169 178.515 176.300 0.077 0.000 1.100 56 R CA 0.435 56.579 56.100 0.074 0.000 0.991 56 R CB 0.041 30.372 30.300 0.052 0.000 0.893 56 R HN 0.236 nan 8.270 nan 0.000 0.443 57 R N -0.358 120.177 120.500 0.058 0.000 2.193 57 R HA -0.042 4.298 4.340 -0.000 0.000 0.229 57 R C 1.864 178.202 176.300 0.063 0.000 1.110 57 R CA 1.769 57.899 56.100 0.049 0.000 0.988 57 R CB -0.140 30.182 30.300 0.036 0.000 0.871 57 R HN 0.200 nan 8.270 nan 0.000 0.458 58 T N -0.166 114.432 114.554 0.073 0.000 2.942 58 T HA -0.000 4.350 4.350 -0.000 0.000 0.265 58 T C 1.632 176.420 174.700 0.147 0.000 1.062 58 T CA 0.815 62.963 62.100 0.079 0.000 1.139 58 T CB 0.223 69.126 68.868 0.059 0.000 0.883 58 T HN 0.004 nan 8.240 nan 0.000 0.468 59 V N 1.577 121.604 119.914 0.187 0.000 3.649 59 V HA 0.054 4.174 4.120 -0.000 0.000 0.275 59 V C 1.967 178.271 176.094 0.350 0.000 1.281 59 V CA 0.724 63.256 62.300 0.387 0.000 1.143 59 V CB 0.044 32.036 31.823 0.283 0.000 0.892 59 V HN 0.429 nan 8.190 nan 0.000 0.441 60 D N 0.056 120.552 120.400 0.160 0.000 2.259 60 D HA -0.098 4.542 4.640 -0.000 0.000 0.216 60 D C 2.152 178.461 176.300 0.015 0.000 0.961 60 D CA 1.427 55.463 54.000 0.060 0.000 0.878 60 D CB 0.569 41.394 40.800 0.042 0.000 1.009 60 D HN 0.344 nan 8.370 nan 0.000 0.490 61 T N -0.678 113.905 114.554 0.050 0.000 3.113 61 T HA -0.039 4.311 4.350 -0.000 0.000 0.256 61 T C 1.506 176.228 174.700 0.036 0.000 1.131 61 T CA 0.435 62.548 62.100 0.022 0.000 1.074 61 T CB -0.390 68.495 68.868 0.028 0.000 0.944 61 T HN 0.167 nan 8.240 nan 0.000 0.516 62 F N 1.315 121.247 119.950 -0.031 0.000 2.243 62 F HA 0.384 4.911 4.527 -0.000 0.000 0.287 62 F C 2.259 178.041 175.800 -0.031 0.000 1.067 62 F CA 0.542 58.516 58.000 -0.044 0.000 1.304 62 F CB -0.544 38.426 39.000 -0.051 0.000 1.087 62 F HN -0.064 nan 8.300 nan 0.000 0.513 63 R N 0.134 120.060 120.500 -0.956 0.000 2.081 63 R HA -0.142 4.198 4.340 -0.000 0.000 0.235 63 R C 2.371 178.401 176.300 -0.450 0.000 1.131 63 R CA 1.591 57.128 56.100 -0.938 0.000 0.960 63 R CB -0.804 29.243 30.300 -0.421 0.000 0.856 63 R HN 0.411 nan 8.270 nan 0.000 0.436 64 S N 0.005 115.555 115.700 -0.250 0.000 2.474 64 S HA 0.027 4.497 4.470 -0.000 0.000 0.235 64 S C 1.606 176.121 174.600 -0.142 0.000 0.997 64 S CA 0.633 58.744 58.200 -0.149 0.000 0.949 64 S CB 0.074 63.225 63.200 -0.083 0.000 0.766 64 S HN 0.373 nan 8.310 nan 0.000 0.517 65 L N 0.293 121.412 121.223 -0.173 0.000 2.664 65 L HA 0.297 4.637 4.340 -0.000 0.000 0.233 65 L C 2.058 178.839 176.870 -0.149 0.000 1.113 65 L CA 0.319 55.089 54.840 -0.117 0.000 0.896 65 L CB 0.133 42.158 42.059 -0.056 0.000 1.163 65 L HN 0.217 nan 8.230 nan 0.000 0.497 66 E N -0.061 119.959 120.200 -0.301 0.000 2.201 66 E HA -0.023 4.327 4.350 -0.000 0.000 0.193 66 E C 1.716 178.192 176.600 -0.207 0.000 0.957 66 E CA 0.779 57.005 56.400 -0.291 0.000 0.858 66 E CB 0.203 29.507 29.700 -0.660 0.000 0.816 66 E HN 0.059 nan 8.360 nan 0.000 0.475 67 S N 0.665 116.226 115.700 -0.231 0.000 2.650 67 S HA 0.017 4.487 4.470 -0.000 0.000 0.219 67 S C 0.595 175.134 174.600 -0.101 0.000 0.960 67 S CA 0.749 58.861 58.200 -0.146 0.000 0.925 67 S CB -0.022 63.090 63.200 -0.147 0.000 0.775 67 S HN 0.266 nan 8.310 nan 0.000 0.525 68 D N 0.722 121.062 120.400 -0.101 0.000 2.417 68 D HA 0.128 4.768 4.640 -0.000 0.000 0.207 68 D C 1.575 177.846 176.300 -0.048 0.000 1.075 68 D CA -0.111 53.849 54.000 -0.067 0.000 0.851 68 D CB -0.099 40.662 40.800 -0.065 0.000 0.976 68 D HN 0.186 nan 8.370 nan 0.000 0.505 69 L N 0.740 121.933 121.223 -0.049 0.000 2.021 69 L HA -0.117 4.223 4.340 -0.000 0.000 0.215 69 L C 1.261 178.117 176.870 -0.023 0.000 1.074 69 L CA 1.947 56.770 54.840 -0.029 0.000 0.760 69 L CB -0.208 41.837 42.059 -0.025 0.000 0.889 69 L HN 0.076 nan 8.230 nan 0.000 0.433 70 Q N -1.617 118.167 119.800 -0.027 0.000 2.141 70 Q HA 0.226 4.566 4.340 -0.000 0.000 0.248 70 Q C 1.139 177.124 176.000 -0.024 0.000 0.834 70 Q CA 0.425 56.215 55.803 -0.021 0.000 1.096 70 Q CB 0.537 29.264 28.738 -0.018 0.000 1.189 70 Q HN 0.541 nan 8.270 nan 0.000 0.471 71 G N 0.426 109.208 108.800 -0.031 0.000 3.186 71 G HA2 0.041 4.001 3.960 -0.000 0.000 0.214 71 G HA3 0.041 4.001 3.960 -0.000 0.000 0.214 71 G C 0.706 175.592 174.900 -0.023 0.000 1.222 71 G CA 0.371 45.452 45.100 -0.032 0.000 0.921 71 G HN 0.269 nan 8.290 nan 0.000 0.504 72 L N -0.278 120.934 121.223 -0.019 0.000 3.635 72 L HA 0.247 4.587 4.340 -0.000 0.000 0.338 72 L C 1.643 178.506 176.870 -0.012 0.000 1.275 72 L CA -0.298 54.533 54.840 -0.014 0.000 1.092 72 L CB 0.226 42.278 42.059 -0.012 0.000 1.465 72 L HN 0.132 nan 8.230 nan 0.000 0.625 73 L N 0.400 121.615 121.223 -0.013 0.000 2.291 73 L HA -0.027 4.313 4.340 -0.000 0.000 0.214 73 L C 1.622 178.486 176.870 -0.010 0.000 1.120 73 L CA 1.994 56.828 54.840 -0.010 0.000 0.799 73 L CB -0.052 42.000 42.059 -0.011 0.000 0.925 73 L HN 0.412 nan 8.230 nan 0.000 0.446 74 E N -0.535 119.658 120.200 -0.011 0.000 2.318 74 E HA -0.030 4.320 4.350 -0.000 0.000 0.193 74 E C 1.786 178.381 176.600 -0.008 0.000 0.998 74 E CA 0.017 56.411 56.400 -0.010 0.000 0.859 74 E CB 0.308 30.002 29.700 -0.011 0.000 0.812 74 E HN 0.346 nan 8.360 nan 0.000 0.492 75 L N 0.806 122.024 121.223 -0.009 0.000 2.591 75 L HA 0.131 4.471 4.340 -0.000 0.000 0.228 75 L C 1.720 178.587 176.870 -0.006 0.000 1.133 75 L CA 0.730 55.566 54.840 -0.007 0.000 0.880 75 L CB -0.319 41.735 42.059 -0.008 0.000 1.033 75 L HN 0.262 nan 8.230 nan 0.000 0.450 76 M N -1.031 118.566 119.600 -0.006 0.000 2.371 76 M HA 0.075 4.555 4.480 -0.000 0.000 0.246 76 M C 0.717 177.015 176.300 -0.004 0.000 1.103 76 M CA 0.891 56.188 55.300 -0.005 0.000 1.010 76 M CB 0.457 33.054 32.600 -0.005 0.000 1.457 76 M HN 0.193 nan 8.290 nan 0.000 0.486 77 E N 0.481 120.678 120.200 -0.005 0.000 2.467 77 E HA 0.040 4.390 4.350 -0.000 0.000 0.213 77 E C -0.488 176.110 176.600 -0.004 0.000 0.823 77 E CA 0.122 56.519 56.400 -0.005 0.000 1.233 77 E CB 0.917 30.614 29.700 -0.005 0.000 1.233 77 E HN 0.460 nan 8.360 nan 0.000 0.585 78 E N 0.572 120.769 120.200 -0.005 0.000 2.283 78 E HA 0.225 4.575 4.350 -0.000 0.000 0.258 78 E C -0.304 176.293 176.600 -0.005 0.000 0.893 78 E CA -0.350 56.047 56.400 -0.005 0.000 0.798 78 E CB 1.533 31.230 29.700 -0.005 0.000 1.242 78 E HN -0.063 nan 8.360 nan 0.000 0.414 79 L N 3.070 124.290 121.223 -0.004 0.000 2.200 79 L HA 0.404 4.744 4.340 -0.000 0.000 0.200 79 L C -1.637 175.231 176.870 -0.004 0.000 1.072 79 L CA 0.506 55.344 54.840 -0.004 0.000 0.787 79 L CB -0.437 41.621 42.059 -0.003 0.000 0.957 79 L HN 0.579 nan 8.230 nan 0.000 0.459 80 P HA 0.602 nan 4.420 nan 0.000 0.297 80 P C -1.063 176.235 177.300 -0.004 0.000 1.331 80 P CA -0.073 63.025 63.100 -0.003 0.000 0.803 80 P CB 1.610 33.309 31.700 -0.003 0.000 0.929 81 A N 2.130 124.948 122.820 -0.004 0.000 2.696 81 A HA 0.501 4.821 4.320 -0.000 0.000 0.296 81 A C -0.241 177.341 177.584 -0.005 0.000 1.043 81 A CA -0.264 51.770 52.037 -0.005 0.000 0.574 81 A CB 0.335 19.332 19.000 -0.005 0.000 1.509 81 A HN 0.350 nan 8.150 nan 0.000 0.670 82 E N -1.773 118.423 120.200 -0.005 0.000 2.608 82 E HA 0.059 4.409 4.350 -0.000 0.000 0.204 82 E C 0.615 177.212 176.600 -0.006 0.000 0.884 82 E CA 0.182 56.579 56.400 -0.005 0.000 1.533 82 E CB 0.593 30.291 29.700 -0.004 0.000 1.559 82 E HN 0.531 nan 8.360 nan 0.000 0.864 83 E N 1.195 121.391 120.200 -0.007 0.000 2.516 83 E HA -0.053 4.297 4.350 -0.000 0.000 0.199 83 E C 0.682 177.276 176.600 -0.010 0.000 1.069 83 E CA 0.469 56.864 56.400 -0.008 0.000 0.876 83 E CB 0.214 29.909 29.700 -0.008 0.000 0.843 83 E HN 0.040 nan 8.360 nan 0.000 0.530 84 R N -0.642 119.852 120.500 -0.009 0.000 2.509 84 R HA 0.234 4.574 4.340 -0.000 0.000 0.297 84 R C 0.504 176.797 176.300 -0.010 0.000 0.951 84 R CA -0.048 56.046 56.100 -0.011 0.000 1.103 84 R CB 0.419 30.713 30.300 -0.010 0.000 1.283 84 R HN 0.101 nan 8.270 nan 0.000 0.534 85 E N 0.055 120.250 120.200 -0.009 0.000 2.693 85 E HA 0.303 4.653 4.350 -0.000 0.000 0.214 85 E C 0.569 177.164 176.600 -0.008 0.000 0.990 85 E CA 0.035 56.430 56.400 -0.008 0.000 1.047 85 E CB 1.184 30.880 29.700 -0.006 0.000 1.039 85 E HN 0.154 nan 8.360 nan 0.000 0.475 86 A N 0.541 123.355 122.820 -0.009 0.000 2.035 86 A HA 0.149 4.469 4.320 -0.000 0.000 0.208 86 A C 1.795 179.372 177.584 -0.010 0.000 1.206 86 A CA 0.067 52.099 52.037 -0.009 0.000 0.773 86 A CB 0.032 19.027 19.000 -0.008 0.000 0.878 86 A HN 0.263 nan 8.150 nan 0.000 0.469 87 L N -1.264 119.951 121.223 -0.014 0.000 2.477 87 L HA 0.144 4.484 4.340 -0.000 0.000 0.220 87 L C 2.091 178.951 176.870 -0.017 0.000 1.106 87 L CA 0.891 55.721 54.840 -0.017 0.000 0.851 87 L CB 0.006 42.052 42.059 -0.023 0.000 0.994 87 L HN 0.245 nan 8.230 nan 0.000 0.462 88 K N 1.098 121.489 120.400 -0.015 0.000 2.097 88 K HA -0.054 4.266 4.320 -0.000 0.000 0.206 88 K C -0.984 175.609 176.600 -0.011 0.000 1.049 88 K CA 1.369 57.648 56.287 -0.014 0.000 0.933 88 K CB -0.958 31.535 32.500 -0.011 0.000 0.717 88 K HN 0.248 nan 8.250 nan 0.000 0.442 89 P HA -0.061 nan 4.420 nan 0.000 0.247 89 P C -0.887 176.410 177.300 -0.006 0.000 1.225 89 P CA 1.023 64.120 63.100 -0.006 0.000 0.768 89 P CB 0.069 31.766 31.700 -0.005 0.000 1.020 90 E N -1.032 119.163 120.200 -0.009 0.000 2.876 90 E HA 0.162 4.512 4.350 -0.000 0.000 0.208 90 E C 0.625 177.216 176.600 -0.015 0.000 0.981 90 E CA -0.145 56.249 56.400 -0.010 0.000 1.174 90 E CB 0.442 30.135 29.700 -0.011 0.000 1.047 90 E HN 0.056 nan 8.360 nan 0.000 0.477 91 L N -0.032 121.181 121.223 -0.015 0.000 2.953 91 L HA 0.195 4.535 4.340 -0.000 0.000 0.258 91 L C 1.532 178.394 176.870 -0.014 0.000 1.100 91 L CA 0.780 55.608 54.840 -0.020 0.000 0.971 91 L CB 0.660 42.705 42.059 -0.024 0.000 1.474 91 L HN -0.128 nan 8.230 nan 0.000 0.540 92 E N 0.996 121.190 120.200 -0.009 0.000 2.046 92 E HA -0.206 4.144 4.350 -0.000 0.000 0.190 92 E C 1.661 178.260 176.600 -0.003 0.000 0.982 92 E CA 1.551 57.948 56.400 -0.005 0.000 0.800 92 E CB -0.284 29.415 29.700 -0.002 0.000 0.756 92 E HN 0.789 nan 8.360 nan 0.000 0.449 93 E N 1.307 121.505 120.200 -0.003 0.000 2.268 93 E HA -0.030 4.320 4.350 -0.000 0.000 0.195 93 E C 1.971 178.569 176.600 -0.002 0.000 0.995 93 E CA 1.003 57.403 56.400 -0.001 0.000 0.836 93 E CB -0.143 29.557 29.700 -0.000 0.000 0.763 93 E HN 0.152 nan 8.360 nan 0.000 0.491 94 A N 1.926 124.742 122.820 -0.006 0.000 1.874 94 A HA 0.184 4.504 4.320 -0.000 0.000 0.214 94 A C 2.482 180.061 177.584 -0.009 0.000 1.189 94 A CA 1.196 53.229 52.037 -0.008 0.000 0.615 94 A CB -0.618 18.373 19.000 -0.015 0.000 0.830 94 A HN 0.369 nan 8.150 nan 0.000 0.443 95 A N -0.286 122.528 122.820 -0.010 0.000 2.178 95 A HA -0.083 4.237 4.320 -0.000 0.000 0.218 95 A C 1.962 179.540 177.584 -0.010 0.000 1.157 95 A CA 1.640 53.672 52.037 -0.009 0.000 0.689 95 A CB -0.332 18.666 19.000 -0.004 0.000 0.787 95 A HN 0.592 nan 8.150 nan 0.000 0.465 96 K N -0.294 120.102 120.400 -0.007 0.000 2.067 96 K HA 0.025 4.345 4.320 -0.000 0.000 0.203 96 K C 1.822 178.412 176.600 -0.017 0.000 1.048 96 K CA 1.179 57.462 56.287 -0.006 0.000 0.954 96 K CB -0.085 32.417 32.500 0.002 0.000 0.737 96 K HN 0.311 nan 8.250 nan 0.000 0.444 97 K N 0.819 121.211 120.400 -0.013 0.000 2.217 97 K HA -0.046 4.274 4.320 -0.000 0.000 0.202 97 K C 2.005 178.586 176.600 -0.031 0.000 1.051 97 K CA 0.422 56.700 56.287 -0.015 0.000 0.952 97 K CB -0.063 32.437 32.500 -0.000 0.000 0.736 97 K HN -0.019 nan 8.250 nan 0.000 0.453 98 L N 2.050 123.252 121.223 -0.035 0.000 2.043 98 L HA -0.254 4.086 4.340 -0.000 0.000 0.212 98 L C 1.943 178.744 176.870 -0.116 0.000 1.075 98 L CA 1.959 56.766 54.840 -0.055 0.000 0.752 98 L CB -0.395 41.638 42.059 -0.043 0.000 0.891 98 L HN 0.168 nan 8.230 nan 0.000 0.432 99 D N -1.345 118.968 120.400 -0.145 0.000 2.120 99 D HA -0.153 4.487 4.640 -0.000 0.000 0.202 99 D C 1.908 178.021 176.300 -0.313 0.000 0.972 99 D CA 0.885 54.694 54.000 -0.318 0.000 0.837 99 D CB 0.076 40.763 40.800 -0.187 0.000 0.989 99 D HN 0.351 nan 8.370 nan 0.000 0.469 100 E N 0.195 120.319 120.200 -0.126 0.000 2.007 100 E HA -0.169 4.181 4.350 -0.000 0.000 0.203 100 E C 2.134 178.713 176.600 -0.035 0.000 1.020 100 E CA 0.748 57.114 56.400 -0.057 0.000 0.845 100 E CB -0.509 29.181 29.700 -0.016 0.000 0.779 100 E HN 0.262 nan 8.360 nan 0.000 0.466 101 L N 0.358 121.576 121.223 -0.008 0.000 2.740 101 L HA -0.170 4.170 4.340 -0.000 0.000 0.242 101 L C 1.748 178.665 176.870 0.078 0.000 1.175 101 L CA 1.045 55.902 54.840 0.028 0.000 0.859 101 L CB -0.645 41.433 42.059 0.032 0.000 0.992 101 L HN 0.215 nan 8.230 nan 0.000 0.454 102 Y N -1.876 118.335 120.300 -0.149 0.000 2.589 102 Y HA 0.138 4.688 4.550 -0.000 0.000 0.271 102 Y C 1.996 177.871 175.900 -0.042 0.000 1.107 102 Y CA 0.423 58.437 58.100 -0.144 0.000 1.273 102 Y CB 0.191 38.496 38.460 -0.259 0.000 1.266 102 Y HN 0.308 nan 8.280 nan 0.000 0.504 103 H N -1.065 117.815 119.070 -0.318 0.000 2.652 103 H HA 0.203 4.759 4.556 -0.000 0.000 0.274 103 H C 0.459 175.682 175.328 -0.175 0.000 1.021 103 H CA 0.082 55.867 56.048 -0.438 0.000 1.187 103 H CB 0.753 30.211 29.762 -0.506 0.000 1.505 103 H HN 0.123 nan 8.280 nan 0.000 0.530 104 Q N -0.030 119.773 119.800 0.006 0.000 2.172 104 Q HA 0.099 4.439 4.340 -0.000 0.000 0.217 104 Q C 1.171 177.185 176.000 0.024 0.000 0.832 104 Q CA 0.211 56.034 55.803 0.034 0.000 1.010 104 Q CB 1.300 30.059 28.738 0.034 0.000 1.133 104 Q HN 0.251 nan 8.270 nan 0.000 0.489 105 T N -1.204 113.342 114.554 -0.012 0.000 2.954 105 T HA 0.299 4.649 4.350 -0.000 0.000 0.252 105 T C 1.350 176.025 174.700 -0.043 0.000 0.983 105 T CA 0.035 62.129 62.100 -0.009 0.000 0.941 105 T CB 0.324 69.194 68.868 0.003 0.000 1.141 105 T HN 0.082 nan 8.240 nan 0.000 0.500 106 L N 0.629 121.795 121.223 -0.095 0.000 2.117 106 L HA 0.333 4.673 4.340 -0.000 0.000 0.200 106 L C 2.021 178.877 176.870 -0.023 0.000 1.110 106 L CA 0.714 55.481 54.840 -0.121 0.000 0.774 106 L CB -0.474 41.462 42.059 -0.204 0.000 0.934 106 L HN 0.151 nan 8.230 nan 0.000 0.456 107 L N 0.915 122.197 121.223 0.097 0.000 2.757 107 L HA -0.165 4.175 4.340 -0.000 0.000 0.243 107 L C 0.656 177.792 176.870 0.444 0.000 1.182 107 L CA 0.068 55.114 54.840 0.344 0.000 0.851 107 L CB -1.153 41.073 42.059 0.278 0.000 0.989 107 L HN 0.317 nan 8.230 nan 0.000 0.457 108 N N 1.660 120.518 118.700 0.264 0.000 3.027 108 N HA 0.064 4.804 4.740 -0.000 0.000 0.309 108 N C -0.800 174.914 175.510 0.341 0.000 1.222 108 N CA -0.077 53.104 53.050 0.219 0.000 1.187 108 N CB -0.363 38.186 38.487 0.103 0.000 1.458 108 N HN 0.186 nan 8.380 nan 0.000 0.535 109 F N -0.231 119.732 119.950 0.021 0.000 2.665 109 F HA 0.599 5.126 4.527 -0.000 0.000 0.308 109 F C -2.068 173.769 175.800 0.062 0.000 1.112 109 F CA -2.199 55.822 58.000 0.035 0.000 0.972 109 F CB -0.193 38.825 39.000 0.030 0.000 1.295 109 F HN -0.007 nan 8.300 nan 0.000 0.440 110 P HA -0.285 nan 4.420 nan 0.000 0.256 110 P C -0.897 176.316 177.300 -0.145 0.000 0.820 110 P CA 1.979 65.091 63.100 0.021 0.000 1.100 110 P CB -0.321 31.464 31.700 0.141 0.000 0.800 111 H N -1.973 116.964 119.070 -0.221 0.000 2.691 111 H HA 0.619 5.175 4.556 -0.000 0.000 0.281 111 H C 0.523 175.771 175.328 -0.133 0.000 1.121 111 H CA 0.248 56.197 56.048 -0.164 0.000 1.254 111 H CB 0.821 30.524 29.762 -0.097 0.000 1.390 111 H HN 0.262 nan 8.280 nan 0.000 0.491 112 A N 2.712 125.439 122.820 -0.154 0.000 2.026 112 A HA -0.013 4.307 4.320 -0.000 0.000 0.201 112 A C 1.825 179.479 177.584 0.117 0.000 1.318 112 A CA 0.020 52.051 52.037 -0.010 0.000 0.857 112 A CB 0.220 19.053 19.000 -0.279 0.000 0.939 112 A HN 0.616 nan 8.150 nan 0.000 0.476 113 E N 1.012 121.237 120.200 0.043 0.000 2.526 113 E HA -0.119 4.231 4.350 -0.000 0.000 0.205 113 E C -0.268 176.381 176.600 0.082 0.000 1.104 113 E CA 0.580 57.025 56.400 0.075 0.000 0.899 113 E CB -0.457 29.266 29.700 0.038 0.000 0.838 113 E HN 0.243 nan 8.360 nan 0.000 0.564 114 K N 1.235 121.685 120.400 0.084 0.000 2.107 114 K HA 0.237 4.557 4.320 -0.000 0.000 0.251 114 K C 0.007 176.631 176.600 0.040 0.000 1.012 114 K CA -0.511 55.803 56.287 0.044 0.000 0.920 114 K CB 0.467 32.958 32.500 -0.016 0.000 1.033 114 K HN 0.067 nan 8.250 nan 0.000 0.478 115 N N 0.321 119.025 118.700 0.006 0.000 2.497 115 N HA 0.254 4.994 4.740 -0.000 0.000 0.271 115 N C -0.696 174.789 175.510 -0.042 0.000 1.142 115 N CA -0.396 52.646 53.050 -0.013 0.000 0.965 115 N CB 1.003 39.486 38.487 -0.006 0.000 1.077 115 N HN 0.558 nan 8.380 nan 0.000 0.462 116 A N 2.656 125.451 122.820 -0.041 0.000 2.240 116 A HA 0.646 4.966 4.320 -0.000 0.000 0.292 116 A C -0.086 177.468 177.584 -0.051 0.000 1.121 116 A CA -0.392 51.634 52.037 -0.019 0.000 0.851 116 A CB 0.469 19.506 19.000 0.061 0.000 1.167 116 A HN 0.690 nan 8.150 nan 0.000 0.503 117 I N 0.603 121.145 120.570 -0.047 0.000 2.649 117 I HA 0.154 4.324 4.170 -0.000 0.000 0.275 117 I C -1.252 174.819 176.117 -0.077 0.000 1.180 117 I CA -0.183 61.082 61.300 -0.059 0.000 1.049 117 I CB 1.098 39.064 38.000 -0.056 0.000 1.234 117 I HN 0.358 nan 8.210 nan 0.000 0.506 118 L N 4.393 125.544 121.223 -0.119 0.000 2.417 118 L HA 0.505 4.845 4.340 -0.000 0.000 0.268 118 L C 0.268 177.015 176.870 -0.204 0.000 1.158 118 L CA 0.794 55.517 54.840 -0.195 0.000 0.819 118 L CB 1.297 43.165 42.059 -0.318 0.000 1.112 118 L HN 0.446 nan 8.230 nan 0.000 0.458 119 T N 3.966 118.368 114.554 -0.254 0.000 2.928 119 T HA 0.580 4.930 4.350 -0.000 0.000 0.296 119 T C -0.480 173.990 174.700 -0.383 0.000 1.000 119 T CA -0.291 61.607 62.100 -0.338 0.000 0.989 119 T CB 0.975 69.675 68.868 -0.281 0.000 1.005 119 T HN 0.245 nan 8.240 nan 0.000 0.442 120 I N 3.298 123.597 120.570 -0.452 0.000 2.382 120 I HA 0.346 4.516 4.170 -0.000 0.000 0.286 120 I C -0.136 175.764 176.117 -0.363 0.000 1.002 120 I CA -0.619 60.460 61.300 -0.369 0.000 1.135 120 I CB 1.438 39.257 38.000 -0.301 0.000 1.288 120 I HN 0.410 nan 8.210 nan 0.000 0.448 121 Q N 8.032 127.678 119.800 -0.257 0.000 2.330 121 Q HA 0.383 4.723 4.340 -0.000 0.000 0.269 121 Q C -2.501 173.444 176.000 -0.092 0.000 1.022 121 Q CA -1.947 53.765 55.803 -0.152 0.000 0.796 121 Q CB 2.682 31.365 28.738 -0.090 0.000 1.271 121 Q HN 0.326 nan 8.270 nan 0.000 0.450 122 P HA -0.017 nan 4.420 nan 0.000 0.270 122 P C 0.021 177.337 177.300 0.026 0.000 1.242 122 P CA 0.363 63.463 63.100 -0.000 0.000 0.768 122 P CB 0.986 32.693 31.700 0.012 0.000 0.820 123 G N 3.566 112.407 108.800 0.068 0.000 2.711 123 G HA2 0.340 4.300 3.960 -0.000 0.000 0.186 123 G HA3 0.340 4.300 3.960 -0.000 0.000 0.186 123 G C 0.068 174.961 174.900 -0.013 0.000 1.635 123 G CA -0.033 45.090 45.100 0.038 0.000 1.065 123 G HN 0.669 nan 8.290 nan 0.000 0.545 124 A N -2.502 120.244 122.820 -0.123 0.000 2.346 124 A HA 0.553 4.873 4.320 -0.000 0.000 0.252 124 A C 1.275 178.801 177.584 -0.097 0.000 1.089 124 A CA 1.036 52.955 52.037 -0.198 0.000 0.797 124 A CB 0.018 18.726 19.000 -0.486 0.000 1.047 124 A HN 2.402 nan 8.150 nan 0.000 0.494 125 G N -0.954 107.802 108.800 -0.073 0.000 2.168 125 G HA2 0.219 4.179 3.960 -0.000 0.000 0.197 125 G HA3 0.219 4.179 3.960 -0.000 0.000 0.197 125 G C 1.700 176.604 174.900 0.008 0.000 0.997 125 G CA 0.685 45.776 45.100 -0.014 0.000 0.658 125 G HN 2.675 nan 8.290 nan 0.000 0.513 126 G N -0.038 108.755 108.800 -0.012 0.000 2.699 126 G HA2 -0.369 3.591 3.960 -0.000 0.000 0.347 126 G HA3 -0.369 3.591 3.960 -0.000 0.000 0.347 126 G C 1.478 176.366 174.900 -0.020 0.000 1.225 126 G CA 2.451 47.539 45.100 -0.021 0.000 0.973 126 G HN 1.437 nan 8.290 nan 0.000 0.551 127 T N 1.275 115.787 114.554 -0.070 0.000 2.821 127 T HA 0.019 4.369 4.350 -0.000 0.000 0.267 127 T C 2.056 176.717 174.700 -0.066 0.000 1.046 127 T CA 1.785 63.773 62.100 -0.186 0.000 1.139 127 T CB -0.197 68.430 68.868 -0.402 0.000 0.871 127 T HN 0.491 nan 8.240 nan 0.000 0.454 128 E N 1.275 121.592 120.200 0.196 0.000 2.023 128 E HA -0.134 4.216 4.350 -0.000 0.000 0.196 128 E C 2.652 179.464 176.600 0.352 0.000 1.003 128 E CA 1.330 58.022 56.400 0.486 0.000 0.809 128 E CB -0.376 29.503 29.700 0.297 0.000 0.755 128 E HN 0.474 nan 8.360 nan 0.000 0.449 129 A N 0.639 123.596 122.820 0.228 0.000 2.032 129 A HA -0.216 4.104 4.320 -0.000 0.000 0.221 129 A C 2.531 180.224 177.584 0.182 0.000 1.165 129 A CA 1.528 53.718 52.037 0.255 0.000 0.645 129 A CB -0.833 18.268 19.000 0.168 0.000 0.807 129 A HN 0.375 nan 8.150 nan 0.000 0.453 130 C N -1.264 118.103 119.300 0.111 0.000 2.446 130 C HA -0.010 4.450 4.460 -0.000 0.000 0.279 130 C C 2.349 177.389 174.990 0.083 0.000 1.366 130 C CA 1.063 60.110 59.018 0.048 0.000 1.763 130 C CB -0.978 26.752 27.740 -0.016 0.000 1.929 130 C HN 0.787 nan 8.230 nan 0.000 0.509 131 D N -0.548 119.974 120.400 0.204 0.000 2.144 131 D HA -0.119 4.521 4.640 -0.000 0.000 0.207 131 D C 2.079 178.510 176.300 0.217 0.000 0.970 131 D CA 0.754 54.913 54.000 0.266 0.000 0.853 131 D CB -0.494 40.645 40.800 0.565 0.000 1.007 131 D HN 0.646 nan 8.370 nan 0.000 0.469 132 W N 1.560 122.900 121.300 0.066 0.000 2.321 132 W HA -0.274 4.386 4.660 -0.000 0.000 0.285 132 W C 1.502 177.996 176.519 -0.042 0.000 1.213 132 W CA 1.450 58.782 57.345 -0.021 0.000 1.205 132 W CB -0.099 29.335 29.460 -0.043 0.000 1.134 132 W HN 0.085 nan 8.180 nan 0.000 0.549 133 A N 0.839 123.548 122.820 -0.186 0.000 1.855 133 A HA -0.272 4.048 4.320 -0.000 0.000 0.215 133 A C 1.962 179.390 177.584 -0.261 0.000 1.191 133 A CA 1.811 53.642 52.037 -0.343 0.000 0.613 133 A CB -1.259 17.643 19.000 -0.163 0.000 0.829 133 A HN 0.496 nan 8.150 nan 0.000 0.442 134 E N -0.539 119.594 120.200 -0.112 0.000 2.160 134 E HA -0.218 4.132 4.350 -0.000 0.000 0.195 134 E C 2.004 178.553 176.600 -0.086 0.000 0.991 134 E CA 1.491 57.850 56.400 -0.068 0.000 0.810 134 E CB -0.197 29.503 29.700 0.001 0.000 0.742 134 E HN 0.688 nan 8.360 nan 0.000 0.466 135 M N 0.046 119.580 119.600 -0.109 0.000 2.123 135 M HA -0.114 4.366 4.480 -0.000 0.000 0.263 135 M C 2.437 178.602 176.300 -0.225 0.000 1.069 135 M CA 1.017 56.253 55.300 -0.108 0.000 1.133 135 M CB -0.241 32.349 32.600 -0.017 0.000 1.356 135 M HN 0.180 nan 8.290 nan 0.000 0.415 136 L N 0.661 121.614 121.223 -0.449 0.000 2.261 136 L HA -0.202 4.138 4.340 -0.000 0.000 0.216 136 L C 2.436 179.236 176.870 -0.116 0.000 1.114 136 L CA 0.413 54.986 54.840 -0.445 0.000 0.777 136 L CB -0.319 41.343 42.059 -0.662 0.000 0.910 136 L HN 0.389 nan 8.230 nan 0.000 0.440 137 L N 0.202 121.363 121.223 -0.105 0.000 1.993 137 L HA -0.220 4.120 4.340 -0.000 0.000 0.206 137 L C 2.601 179.487 176.870 0.026 0.000 1.074 137 L CA 1.742 56.580 54.840 -0.003 0.000 0.746 137 L CB -0.804 41.229 42.059 -0.045 0.000 0.896 137 L HN 0.266 nan 8.230 nan 0.000 0.435 138 R N -0.161 120.329 120.500 -0.016 0.000 2.153 138 R HA -0.278 4.062 4.340 -0.000 0.000 0.252 138 R C 2.370 178.668 176.300 -0.003 0.000 1.158 138 R CA 2.391 58.491 56.100 -0.001 0.000 0.975 138 R CB -0.398 29.896 30.300 -0.010 0.000 0.871 138 R HN 0.481 nan 8.270 nan 0.000 0.450 139 M N -0.262 119.292 119.600 -0.077 0.000 2.443 139 M HA -0.283 4.197 4.480 -0.000 0.000 0.267 139 M C 1.688 177.933 176.300 -0.092 0.000 1.069 139 M CA 2.163 57.361 55.300 -0.170 0.000 1.085 139 M CB -0.450 31.895 32.600 -0.426 0.000 1.243 139 M HN 0.216 nan 8.290 nan 0.000 0.464 140 Y N 0.422 120.758 120.300 0.060 0.000 2.181 140 Y HA -0.264 4.286 4.550 -0.000 0.000 0.284 140 Y C 2.544 178.554 175.900 0.183 0.000 1.179 140 Y CA 1.922 60.118 58.100 0.161 0.000 1.179 140 Y CB -1.658 36.847 38.460 0.075 0.000 0.973 140 Y HN 0.410 nan 8.280 nan 0.000 0.519 141 T N 0.074 114.771 114.554 0.239 0.000 2.595 141 T HA -0.209 4.141 4.350 -0.000 0.000 0.264 141 T C 2.094 176.871 174.700 0.128 0.000 1.058 141 T CA 1.522 63.709 62.100 0.146 0.000 1.166 141 T CB -0.198 68.725 68.868 0.092 0.000 0.863 141 T HN 0.155 nan 8.240 nan 0.000 0.415 142 R N 0.246 120.813 120.500 0.112 0.000 2.097 142 R HA -0.079 4.261 4.340 -0.000 0.000 0.236 142 R C 2.155 178.537 176.300 0.137 0.000 1.135 142 R CA 1.393 57.552 56.100 0.098 0.000 0.934 142 R CB -1.374 28.975 30.300 0.081 0.000 0.846 142 R HN 0.429 nan 8.270 nan 0.000 0.431 143 F N 1.017 120.986 119.950 0.033 0.000 2.005 143 F HA -0.318 4.209 4.527 -0.000 0.000 0.297 143 F C 2.292 178.165 175.800 0.121 0.000 1.175 143 F CA 2.015 60.046 58.000 0.052 0.000 1.192 143 F CB -1.147 37.869 39.000 0.028 0.000 0.953 143 F HN 0.122 nan 8.300 nan 0.000 0.504 144 A N -0.385 122.354 122.820 -0.136 0.000 1.997 144 A HA -0.319 4.001 4.320 -0.000 0.000 0.221 144 A C 2.212 179.817 177.584 0.035 0.000 1.172 144 A CA 2.123 54.094 52.037 -0.110 0.000 0.645 144 A CB -1.262 17.762 19.000 0.041 0.000 0.813 144 A HN 0.739 nan 8.150 nan 0.000 0.454 145 E N -0.107 120.112 120.200 0.031 0.000 2.001 145 E HA -0.283 4.067 4.350 -0.000 0.000 0.195 145 E C 2.137 178.729 176.600 -0.015 0.000 1.002 145 E CA 1.673 58.092 56.400 0.033 0.000 0.819 145 E CB -0.141 29.584 29.700 0.041 0.000 0.769 145 E HN 0.639 nan 8.360 nan 0.000 0.454 146 R N 0.621 121.106 120.500 -0.025 0.000 2.241 146 R HA -0.132 4.208 4.340 -0.000 0.000 0.224 146 R C 1.937 178.175 176.300 -0.103 0.000 1.101 146 R CA 1.392 57.468 56.100 -0.040 0.000 0.995 146 R CB -0.660 29.640 30.300 0.001 0.000 0.870 146 R HN 0.176 nan 8.270 nan 0.000 0.463 147 Q N 1.225 120.910 119.800 -0.190 0.000 2.482 147 Q HA 0.134 4.474 4.340 -0.000 0.000 0.209 147 Q C 0.215 175.974 176.000 -0.401 0.000 0.961 147 Q CA 0.888 56.513 55.803 -0.296 0.000 0.945 147 Q CB -0.077 28.369 28.738 -0.487 0.000 1.012 147 Q HN 0.590 nan 8.270 nan 0.000 0.515 148 G N 0.290 108.916 108.800 -0.289 0.000 2.470 148 G HA2 -0.226 3.734 3.960 -0.000 0.000 0.286 148 G HA3 -0.226 3.734 3.960 -0.000 0.000 0.286 148 G C -0.802 173.776 174.900 -0.537 0.000 1.115 148 G CA 0.023 44.918 45.100 -0.341 0.000 1.122 148 G HN 0.167 nan 8.290 nan 0.000 0.522 149 F N -0.086 119.822 119.950 -0.070 0.000 2.588 149 F HA 0.419 4.946 4.527 -0.000 0.000 0.318 149 F C 0.120 175.901 175.800 -0.031 0.000 1.155 149 F CA -1.332 56.637 58.000 -0.051 0.000 0.967 149 F CB 1.925 40.880 39.000 -0.075 0.000 1.236 149 F HN 0.121 nan 8.300 nan 0.000 0.455 150 Q N 3.059 122.977 119.800 0.196 0.000 2.263 150 Q HA 0.253 4.593 4.340 -0.000 0.000 0.270 150 Q C -0.480 175.575 176.000 0.092 0.000 1.104 150 Q CA 0.006 55.873 55.803 0.106 0.000 0.909 150 Q CB 1.084 29.869 28.738 0.079 0.000 1.214 150 Q HN 0.367 nan 8.270 nan 0.000 0.400 151 V N 3.250 123.206 119.914 0.070 0.000 2.350 151 V HA 0.226 4.346 4.120 -0.000 0.000 0.276 151 V C 0.317 176.430 176.094 0.033 0.000 1.028 151 V CA -0.569 61.760 62.300 0.048 0.000 0.860 151 V CB 1.396 33.250 31.823 0.052 0.000 0.990 151 V HN 0.630 nan 8.190 nan 0.000 0.453 152 E N 3.967 124.181 120.200 0.023 0.000 2.151 152 E HA 0.484 4.834 4.350 -0.000 0.000 0.275 152 E C -1.237 175.372 176.600 0.014 0.000 0.936 152 E CA -0.648 55.763 56.400 0.018 0.000 0.777 152 E CB 1.973 31.682 29.700 0.015 0.000 1.108 152 E HN 0.498 nan 8.360 nan 0.000 0.401 153 V N 6.022 125.945 119.914 0.016 0.000 2.389 153 V HA 0.027 4.147 4.120 -0.000 0.000 0.264 153 V C 1.182 177.288 176.094 0.020 0.000 1.049 153 V CA -0.200 62.110 62.300 0.017 0.000 0.932 153 V CB 0.768 32.602 31.823 0.018 0.000 1.011 153 V HN 0.683 nan 8.190 nan 0.000 0.475 154 V N 3.904 123.833 119.914 0.025 0.000 2.249 154 V HA -0.012 4.108 4.120 -0.000 0.000 0.239 154 V C 0.645 176.767 176.094 0.046 0.000 1.038 154 V CA 1.525 63.845 62.300 0.033 0.000 1.005 154 V CB -0.065 31.784 31.823 0.044 0.000 0.646 154 V HN 0.894 nan 8.190 nan 0.000 0.455 155 D N -1.426 119.025 120.400 0.084 0.000 2.477 155 D HA 0.695 5.335 4.640 -0.000 0.000 0.234 155 D C -1.225 175.142 176.300 0.112 0.000 1.048 155 D CA -0.274 53.791 54.000 0.108 0.000 0.959 155 D CB 2.464 43.372 40.800 0.180 0.000 1.408 155 D HN 0.106 nan 8.370 nan 0.000 0.496 156 L N 0.471 121.753 121.223 0.098 0.000 2.811 156 L HA 0.347 4.687 4.340 -0.000 0.000 0.251 156 L C -1.544 175.364 176.870 0.063 0.000 0.971 156 L CA -0.121 54.764 54.840 0.074 0.000 0.990 156 L CB 1.191 43.273 42.059 0.038 0.000 1.320 156 L HN 0.345 nan 8.230 nan 0.000 0.473 157 T N 5.491 120.099 114.554 0.089 0.000 2.910 157 T HA 0.431 4.781 4.350 -0.000 0.000 0.323 157 T C -2.660 172.063 174.700 0.039 0.000 1.091 157 T CA -1.061 61.073 62.100 0.056 0.000 0.960 157 T CB 0.675 69.581 68.868 0.064 0.000 1.024 157 T HN 0.461 nan 8.240 nan 0.000 0.509 158 P HA 0.138 nan 4.420 nan 0.000 0.266 158 P C 0.894 178.194 177.300 -0.000 0.000 1.419 158 P CA -0.054 63.052 63.100 0.010 0.000 1.112 158 P CB -0.043 31.662 31.700 0.008 0.000 1.438 159 G N 5.928 114.726 108.800 -0.003 0.000 2.777 159 G HA2 -0.068 3.892 3.960 -0.000 0.000 0.286 159 G HA3 -0.068 3.892 3.960 -0.000 0.000 0.286 159 G C -1.428 173.453 174.900 -0.032 0.000 1.283 159 G CA -0.674 44.417 45.100 -0.016 0.000 1.060 159 G HN 0.266 nan 8.290 nan 0.000 0.641 160 P HA -0.140 nan 4.420 nan 0.000 0.212 160 P C 1.606 178.865 177.300 -0.068 0.000 0.886 160 P CA 1.758 64.827 63.100 -0.052 0.000 1.017 160 P CB 0.097 31.762 31.700 -0.058 0.000 0.686 161 E N -0.953 119.183 120.200 -0.107 0.000 2.060 161 E HA 0.224 4.574 4.350 -0.000 0.000 0.189 161 E C 0.633 177.130 176.600 -0.171 0.000 0.974 161 E CA 0.634 56.950 56.400 -0.139 0.000 0.808 161 E CB 0.012 29.597 29.700 -0.192 0.000 0.768 161 E HN 0.198 nan 8.360 nan 0.000 0.453 162 A N -0.362 122.316 122.820 -0.238 0.000 2.556 162 A HA 0.627 4.947 4.320 -0.000 0.000 0.294 162 A C 0.287 177.815 177.584 -0.093 0.000 1.091 162 A CA -0.210 51.704 52.037 -0.204 0.000 0.704 162 A CB 1.134 19.820 19.000 -0.524 0.000 1.300 162 A HN 0.236 nan 8.150 nan 0.000 0.406 163 G N -0.246 108.563 108.800 0.016 0.000 2.550 163 G HA2 -0.037 3.923 3.960 -0.000 0.000 0.277 163 G HA3 -0.037 3.923 3.960 -0.000 0.000 0.277 163 G C 0.271 175.176 174.900 0.008 0.000 1.190 163 G CA 1.091 46.216 45.100 0.040 0.000 0.971 163 G HN 2.329 nan 8.290 nan 0.000 0.559 164 I N -4.067 116.504 120.570 0.001 0.000 3.343 164 I HA 0.805 4.975 4.170 -0.000 0.000 0.315 164 I C 0.001 176.118 176.117 0.001 0.000 1.153 164 I CA -0.746 60.553 61.300 -0.000 0.000 0.952 164 I CB 2.031 40.029 38.000 -0.005 0.000 1.287 164 I HN 0.407 nan 8.210 nan 0.000 0.472 165 D N -0.884 119.532 120.400 0.027 0.000 2.461 165 D HA 0.183 4.823 4.640 -0.000 0.000 0.266 165 D C -1.051 175.311 176.300 0.104 0.000 1.085 165 D CA 0.873 54.902 54.000 0.047 0.000 0.887 165 D CB 1.412 42.243 40.800 0.052 0.000 1.309 165 D HN 0.487 nan 8.370 nan 0.000 0.498 166 Y N 0.170 120.446 120.300 -0.039 0.000 2.597 166 Y HA 0.531 5.081 4.550 -0.000 0.000 0.340 166 Y C -1.717 174.156 175.900 -0.045 0.000 1.097 166 Y CA -0.801 57.272 58.100 -0.044 0.000 1.037 166 Y CB 1.987 40.425 38.460 -0.038 0.000 1.305 166 Y HN -0.098 nan 8.280 nan 0.000 0.463 167 A N 4.044 126.639 122.820 -0.376 0.000 2.577 167 A HA 0.623 4.942 4.320 -0.000 0.000 0.297 167 A C -2.009 175.378 177.584 -0.328 0.000 1.060 167 A CA -0.603 51.329 52.037 -0.175 0.000 0.697 167 A CB 1.948 20.854 19.000 -0.157 0.000 1.281 167 A HN 0.648 nan 8.150 nan 0.000 0.402 168 Q N 1.369 121.131 119.800 -0.063 0.000 2.281 168 Q HA 0.675 5.015 4.340 -0.000 0.000 0.263 168 Q C -1.774 174.221 176.000 -0.009 0.000 0.989 168 Q CA -0.540 55.240 55.803 -0.039 0.000 0.852 168 Q CB 1.845 30.672 28.738 0.147 0.000 1.337 168 Q HN 1.153 nan 8.270 nan 0.000 0.418 169 I N 0.353 120.899 120.570 -0.040 0.000 2.894 169 I HA 0.565 4.735 4.170 -0.000 0.000 0.302 169 I C -1.601 174.498 176.117 -0.030 0.000 1.188 169 I CA -1.343 59.944 61.300 -0.022 0.000 1.014 169 I CB 1.705 39.695 38.000 -0.016 0.000 1.242 169 I HN 0.494 nan 8.210 nan 0.000 0.430 170 L N 4.621 125.834 121.223 -0.016 0.000 2.375 170 L HA 0.543 4.883 4.340 -0.000 0.000 0.271 170 L C -0.462 176.391 176.870 -0.028 0.000 1.107 170 L CA -0.079 54.748 54.840 -0.022 0.000 0.806 170 L CB 1.622 43.676 42.059 -0.008 0.000 1.146 170 L HN 0.519 nan 8.230 nan 0.000 0.447 171 V N 4.923 124.806 119.914 -0.053 0.000 2.276 171 V HA 0.307 4.427 4.120 -0.000 0.000 0.268 171 V C -0.092 175.956 176.094 -0.075 0.000 1.032 171 V CA -0.837 61.402 62.300 -0.103 0.000 0.810 171 V CB 0.364 32.067 31.823 -0.201 0.000 1.060 171 V HN 0.647 nan 8.190 nan 0.000 0.446 172 K N 3.489 123.904 120.400 0.025 0.000 2.338 172 K HA 0.632 4.952 4.320 -0.000 0.000 0.290 172 K C 0.609 177.363 176.600 0.257 0.000 1.069 172 K CA 0.208 56.551 56.287 0.093 0.000 0.941 172 K CB 1.159 33.709 32.500 0.083 0.000 1.023 172 K HN 0.857 nan 8.250 nan 0.000 0.477 173 G N 1.688 110.643 108.800 0.258 0.000 2.317 173 G HA2 0.032 3.992 3.960 -0.000 0.000 0.293 173 G HA3 0.032 3.992 3.960 -0.000 0.000 0.293 173 G C -1.808 173.304 174.900 0.355 0.000 1.287 173 G CA -0.812 44.573 45.100 0.475 0.000 0.850 173 G HN 0.456 nan 8.290 nan 0.000 0.515 174 E N 0.667 121.118 120.200 0.419 0.000 2.216 174 E HA 0.353 4.703 4.350 -0.000 0.000 0.279 174 E C 0.305 177.095 176.600 0.316 0.000 0.997 174 E CA -0.535 56.024 56.400 0.266 0.000 0.817 174 E CB 0.900 30.705 29.700 0.175 0.000 1.096 174 E HN 0.613 nan 8.360 nan 0.000 0.393 175 N N 1.224 120.047 118.700 0.205 0.000 2.713 175 N HA -0.282 4.458 4.740 -0.000 0.000 0.251 175 N C 0.948 176.557 175.510 0.166 0.000 1.117 175 N CA 1.103 54.273 53.050 0.200 0.000 0.770 175 N CB -1.470 37.161 38.487 0.241 0.000 1.137 175 N HN 0.699 nan 8.380 nan 0.000 0.566 176 A N 0.291 123.143 122.820 0.052 0.000 1.908 176 A HA -0.221 4.099 4.320 -0.000 0.000 0.218 176 A C 1.955 179.502 177.584 -0.063 0.000 1.181 176 A CA 1.871 53.730 52.037 -0.296 0.000 0.627 176 A CB -0.688 18.012 19.000 -0.500 0.000 0.818 176 A HN 0.494 nan 8.150 nan 0.000 0.445 177 Y N 0.767 121.026 120.300 -0.069 0.000 2.114 177 Y HA -0.024 4.526 4.550 -0.000 0.000 0.284 177 Y C 2.484 178.437 175.900 0.087 0.000 1.143 177 Y CA 1.394 59.487 58.100 -0.012 0.000 1.135 177 Y CB -1.067 37.386 38.460 -0.013 0.000 0.980 177 Y HN 0.203 nan 8.280 nan 0.000 0.499 178 G N 0.676 109.492 108.800 0.026 0.000 2.485 178 G HA2 -0.228 3.732 3.960 -0.000 0.000 0.221 178 G HA3 -0.228 3.732 3.960 -0.000 0.000 0.221 178 G C 1.568 176.529 174.900 0.102 0.000 1.115 178 G CA 1.407 46.584 45.100 0.128 0.000 0.751 178 G HN 0.464 nan 8.290 nan 0.000 0.567 179 L N -0.474 120.797 121.223 0.080 0.000 2.056 179 L HA 0.195 4.535 4.340 -0.000 0.000 0.202 179 L C 2.214 179.107 176.870 0.038 0.000 1.086 179 L CA 0.311 55.194 54.840 0.072 0.000 0.758 179 L CB -0.652 41.484 42.059 0.129 0.000 0.912 179 L HN 0.046 nan 8.230 nan 0.000 0.446 180 L N 1.079 122.329 121.223 0.045 0.000 2.869 180 L HA -0.033 4.307 4.340 -0.000 0.000 0.259 180 L C 2.108 178.968 176.870 -0.017 0.000 1.162 180 L CA 0.004 54.870 54.840 0.043 0.000 0.975 180 L CB -0.773 41.300 42.059 0.024 0.000 1.217 180 L HN 0.383 nan 8.230 nan 0.000 0.418 181 S N -0.220 115.440 115.700 -0.067 0.000 2.387 181 S HA 0.071 4.541 4.470 -0.000 0.000 0.221 181 S C -0.274 174.312 174.600 -0.023 0.000 1.041 181 S CA 0.143 58.265 58.200 -0.130 0.000 0.959 181 S CB -1.275 61.713 63.200 -0.354 0.000 0.843 181 S HN 0.261 nan 8.310 nan 0.000 0.488 182 P HA -0.039 nan 4.420 nan 0.000 0.222 182 P C 0.980 178.352 177.300 0.119 0.000 1.147 182 P CA 1.018 64.165 63.100 0.077 0.000 0.790 182 P CB -0.057 31.687 31.700 0.073 0.000 0.780 183 E N 0.794 121.062 120.200 0.114 0.000 2.160 183 E HA -0.064 4.286 4.350 -0.000 0.000 0.195 183 E C 1.168 177.852 176.600 0.140 0.000 0.991 183 E CA 0.473 57.000 56.400 0.211 0.000 0.810 183 E CB -0.960 28.846 29.700 0.178 0.000 0.742 183 E HN 0.220 nan 8.360 nan 0.000 0.466 184 A N 1.068 123.912 122.820 0.039 0.000 2.563 184 A HA 0.368 4.688 4.320 -0.000 0.000 0.256 184 A C 0.842 178.463 177.584 0.061 0.000 1.056 184 A CA 1.176 53.215 52.037 0.003 0.000 0.775 184 A CB -0.355 18.667 19.000 0.037 0.000 0.973 184 A HN 0.244 nan 8.150 nan 0.000 0.516 185 G N 0.461 109.262 108.800 0.002 0.000 2.362 185 G HA2 0.382 4.342 3.960 -0.000 0.000 0.288 185 G HA3 0.382 4.342 3.960 -0.000 0.000 0.288 185 G C -0.961 173.968 174.900 0.048 0.000 1.305 185 G CA -0.319 44.826 45.100 0.074 0.000 0.910 185 G HN 1.196 nan 8.290 nan 0.000 0.518 186 V N 1.099 121.117 119.914 0.172 0.000 2.583 186 V HA 0.472 4.592 4.120 -0.000 0.000 0.287 186 V C -0.004 176.379 176.094 0.481 0.000 1.051 186 V CA -0.114 62.320 62.300 0.223 0.000 1.010 186 V CB 0.995 32.945 31.823 0.211 0.000 0.988 186 V HN 0.658 nan 8.190 nan 0.000 0.478 187 H N 4.357 123.532 119.070 0.175 0.000 2.800 187 H HA 0.444 5.000 4.556 -0.000 0.000 0.322 187 H C -0.121 175.381 175.328 0.290 0.000 0.979 187 H CA -0.785 55.438 56.048 0.292 0.000 1.277 187 H CB 1.725 31.674 29.762 0.312 0.000 1.484 187 H HN 0.540 nan 8.280 nan 0.000 0.512 188 R N 2.872 123.400 120.500 0.047 0.000 2.532 188 R HA 0.383 4.723 4.340 -0.000 0.000 0.272 188 R C -1.217 174.669 176.300 -0.690 0.000 1.032 188 R CA -0.730 55.060 56.100 -0.515 0.000 1.089 188 R CB 0.955 30.820 30.300 -0.725 0.000 1.098 188 R HN 0.384 nan 8.270 nan 0.000 0.526 189 L N 4.243 124.819 121.223 -1.078 0.000 2.476 189 L HA 0.442 4.782 4.340 -0.000 0.000 0.269 189 L C -1.819 174.674 176.870 -0.629 0.000 0.965 189 L CA -0.583 53.547 54.840 -1.184 0.000 0.845 189 L CB 1.949 42.669 42.059 -2.232 0.000 1.259 189 L HN 0.419 nan 8.230 nan 0.000 0.403 190 V N 6.564 126.229 119.914 -0.415 0.000 2.448 190 V HA 0.795 4.915 4.120 -0.000 0.000 0.295 190 V C -0.131 175.835 176.094 -0.215 0.000 1.025 190 V CA -0.550 61.604 62.300 -0.242 0.000 0.859 190 V CB 1.842 33.562 31.823 -0.172 0.000 0.988 190 V HN 0.951 nan 8.190 nan 0.000 0.431 191 R N 4.025 124.435 120.500 -0.149 0.000 3.062 191 R HA 0.352 4.692 4.340 -0.000 0.000 0.279 191 R C -3.551 172.699 176.300 -0.084 0.000 1.003 191 R CA -1.465 54.560 56.100 -0.124 0.000 0.872 191 R CB 1.386 31.601 30.300 -0.142 0.000 1.280 191 R HN 0.400 nan 8.270 nan 0.000 0.516 192 P HA 0.102 nan 4.420 nan 0.000 0.268 192 P C -0.639 176.633 177.300 -0.047 0.000 1.204 192 P CA 0.042 63.108 63.100 -0.056 0.000 0.768 192 P CB 0.887 32.553 31.700 -0.057 0.000 0.842 193 S N 5.996 121.710 115.700 0.024 0.000 2.507 193 S HA 0.040 4.510 4.470 -0.000 0.000 0.299 193 S C -1.342 173.208 174.600 -0.084 0.000 1.214 193 S CA -0.381 57.832 58.200 0.022 0.000 1.137 193 S CB -0.188 63.143 63.200 0.218 0.000 1.009 193 S HN 0.391 nan 8.310 nan 0.000 0.512 194 P HA -0.061 nan 4.420 nan 0.000 0.223 194 P C 0.521 177.656 177.300 -0.275 0.000 1.144 194 P CA 1.002 63.890 63.100 -0.352 0.000 0.783 194 P CB 0.117 31.481 31.700 -0.560 0.000 0.771 195 F N -1.351 118.625 119.950 0.043 0.000 2.274 195 F HA 0.090 4.617 4.527 -0.000 0.000 0.288 195 F C 1.344 177.170 175.800 0.044 0.000 1.069 195 F CA -0.284 57.738 58.000 0.037 0.000 1.343 195 F CB -1.365 37.652 39.000 0.030 0.000 1.089 195 F HN -0.141 nan 8.300 nan 0.000 0.517 196 D N 0.885 121.429 120.400 0.240 0.000 2.474 196 D HA -0.049 4.590 4.640 -0.000 0.000 0.232 196 D C 1.335 177.714 176.300 0.130 0.000 1.177 196 D CA 0.705 54.816 54.000 0.185 0.000 0.876 196 D CB 1.259 42.211 40.800 0.254 0.000 1.208 196 D HN 0.177 nan 8.370 nan 0.000 0.464 197 A N 2.766 125.651 122.820 0.108 0.000 1.834 197 A HA -0.169 4.151 4.320 -0.000 0.000 0.216 197 A C 1.731 179.350 177.584 0.058 0.000 1.203 197 A CA 2.158 54.241 52.037 0.076 0.000 0.621 197 A CB -0.946 18.093 19.000 0.065 0.000 0.841 197 A HN 0.668 nan 8.150 nan 0.000 0.446 198 S N -0.276 115.457 115.700 0.054 0.000 2.930 198 S HA 0.393 4.863 4.470 -0.000 0.000 0.257 198 S C 1.064 175.677 174.600 0.021 0.000 1.208 198 S CA 0.541 58.760 58.200 0.032 0.000 1.233 198 S CB -1.127 62.088 63.200 0.025 0.000 0.900 198 S HN 1.840 nan 8.310 nan 0.000 0.472 199 G N 1.611 110.427 108.800 0.027 0.000 2.467 199 G HA2 -0.347 3.613 3.960 -0.000 0.000 0.302 199 G HA3 -0.347 3.613 3.960 -0.000 0.000 0.302 199 G C 0.264 175.158 174.900 -0.010 0.000 0.930 199 G CA 0.600 45.704 45.100 0.007 0.000 1.008 199 G HN 0.711 nan 8.290 nan 0.000 0.512 200 R N -0.843 119.654 120.500 -0.005 0.000 2.822 200 R HA 0.371 4.711 4.340 -0.000 0.000 0.277 200 R C 1.051 177.261 176.300 -0.149 0.000 1.102 200 R CA -0.442 55.604 56.100 -0.090 0.000 1.207 200 R CB 0.308 30.532 30.300 -0.128 0.000 1.139 200 R HN 0.314 nan 8.270 nan 0.000 0.557 201 R N 1.663 122.017 120.500 -0.243 0.000 2.215 201 R HA 0.182 4.522 4.340 -0.000 0.000 0.336 201 R C -1.100 175.031 176.300 -0.281 0.000 0.996 201 R CA -0.337 55.650 56.100 -0.189 0.000 0.847 201 R CB 0.333 30.561 30.300 -0.119 0.000 1.127 201 R HN 0.605 nan 8.270 nan 0.000 0.465 202 H N 1.376 120.468 119.070 0.037 0.000 2.834 202 H HA 0.337 4.893 4.556 -0.000 0.000 0.369 202 H C -0.499 174.875 175.328 0.077 0.000 1.174 202 H CA -0.623 55.482 56.048 0.094 0.000 1.165 202 H CB 2.510 32.334 29.762 0.105 0.000 1.820 202 H HN 0.472 nan 8.280 nan 0.000 0.558 203 T N 1.328 116.083 114.554 0.334 0.000 2.867 203 T HA 0.414 4.764 4.350 -0.000 0.000 0.282 203 T C -0.070 174.644 174.700 0.024 0.000 1.000 203 T CA -0.607 61.591 62.100 0.163 0.000 1.042 203 T CB 0.980 70.096 68.868 0.413 0.000 0.973 203 T HN 0.422 nan 8.240 nan 0.000 0.465 204 S N 1.516 117.084 115.700 -0.221 0.000 2.568 204 S HA 0.814 5.284 4.470 -0.000 0.000 0.302 204 S C -1.246 173.165 174.600 -0.314 0.000 1.082 204 S CA -0.687 57.401 58.200 -0.186 0.000 1.009 204 S CB 0.851 63.885 63.200 -0.276 0.000 1.069 204 S HN 0.499 nan 8.310 nan 0.000 0.500 205 F N 0.581 120.457 119.950 -0.123 0.000 2.588 205 F HA 0.846 5.373 4.527 -0.000 0.000 0.314 205 F C 0.273 176.206 175.800 0.221 0.000 1.069 205 F CA -0.613 57.395 58.000 0.013 0.000 0.931 205 F CB 1.925 40.816 39.000 -0.182 0.000 1.260 205 F HN 0.769 nan 8.300 nan 0.000 0.465 206 A N 0.318 123.380 122.820 0.403 0.000 2.609 206 A HA 0.855 5.175 4.320 -0.000 0.000 0.291 206 A C -1.155 176.457 177.584 0.046 0.000 1.096 206 A CA -0.443 51.690 52.037 0.159 0.000 0.684 206 A CB 1.492 20.457 19.000 -0.059 0.000 1.282 206 A HN 1.082 nan 8.150 nan 0.000 0.412 207 G N -0.507 108.250 108.800 -0.072 0.000 2.530 207 G HA2 0.591 4.551 3.960 -0.000 0.000 0.316 207 G HA3 0.591 4.551 3.960 -0.000 0.000 0.316 207 G C -1.475 173.292 174.900 -0.222 0.000 1.298 207 G CA -0.455 44.580 45.100 -0.110 0.000 0.948 207 G HN 1.146 nan 8.290 nan 0.000 0.486 208 V N 2.873 122.622 119.914 -0.275 0.000 2.398 208 V HA 0.308 4.428 4.120 -0.000 0.000 0.282 208 V C -0.175 175.777 176.094 -0.238 0.000 1.014 208 V CA -0.782 61.315 62.300 -0.338 0.000 0.838 208 V CB 1.000 32.509 31.823 -0.523 0.000 1.018 208 V HN 0.805 nan 8.190 nan 0.000 0.432 209 E N 2.927 123.013 120.200 -0.189 0.000 2.283 209 E HA 0.743 5.093 4.350 -0.000 0.000 0.271 209 E C -1.128 175.409 176.600 -0.105 0.000 1.031 209 E CA -0.662 55.674 56.400 -0.107 0.000 0.868 209 E CB 2.590 32.246 29.700 -0.073 0.000 1.094 209 E HN 0.417 nan 8.360 nan 0.000 0.401 210 V N 3.230 123.132 119.914 -0.019 0.000 2.733 210 V HA 0.493 4.613 4.120 -0.000 0.000 0.306 210 V C -0.450 175.738 176.094 0.157 0.000 1.084 210 V CA -0.755 61.570 62.300 0.040 0.000 0.905 210 V CB 1.280 33.139 31.823 0.059 0.000 1.010 210 V HN 0.561 nan 8.190 nan 0.000 0.424 211 I N 2.034 122.638 120.570 0.056 0.000 2.913 211 I HA 0.708 4.878 4.170 -0.000 0.000 0.302 211 I C -2.947 172.942 176.117 -0.380 0.000 1.246 211 I CA -2.441 58.777 61.300 -0.137 0.000 1.010 211 I CB 2.976 40.910 38.000 -0.110 0.000 1.259 211 I HN 0.362 nan 8.210 nan 0.000 0.434 212 P HA 0.120 nan 4.420 nan 0.000 0.279 212 P C -0.943 176.179 177.300 -0.298 0.000 1.239 212 P CA 0.023 62.739 63.100 -0.639 0.000 0.789 212 P CB 1.139 32.331 31.700 -0.848 0.000 0.933 213 E N 2.068 122.160 120.200 -0.180 0.000 2.316 213 E HA 0.204 4.554 4.350 -0.000 0.000 0.275 213 E C -0.602 175.939 176.600 -0.099 0.000 1.029 213 E CA -0.499 55.836 56.400 -0.108 0.000 0.871 213 E CB 0.911 30.574 29.700 -0.063 0.000 1.022 213 E HN 0.218 nan 8.360 nan 0.000 0.418 214 V N 3.486 123.348 119.914 -0.086 0.000 4.771 214 V HA 0.097 4.217 4.120 -0.000 0.000 0.148 214 V C -0.524 175.541 176.094 -0.048 0.000 1.138 214 V CA 0.517 62.771 62.300 -0.076 0.000 1.282 214 V CB 0.188 31.944 31.823 -0.112 0.000 1.742 214 V HN 0.897 nan 8.190 nan 0.000 0.563 215 D N 0.515 120.887 120.400 -0.047 0.000 2.493 215 D HA 0.099 4.739 4.640 -0.000 0.000 0.240 215 D C 0.731 177.021 176.300 -0.016 0.000 1.142 215 D CA 1.205 55.189 54.000 -0.026 0.000 0.872 215 D CB 1.051 41.840 40.800 -0.019 0.000 1.173 215 D HN 0.540 nan 8.370 nan 0.000 0.467 216 E N 1.442 121.637 120.200 -0.008 0.000 2.441 216 E HA 0.075 4.425 4.350 -0.000 0.000 0.207 216 E C 0.075 176.674 176.600 -0.002 0.000 0.803 216 E CA -0.271 56.125 56.400 -0.005 0.000 1.240 216 E CB 0.520 30.217 29.700 -0.005 0.000 1.233 216 E HN 0.431 nan 8.360 nan 0.000 0.590 217 E N 0.674 120.875 120.200 0.001 0.000 2.254 217 E HA 0.360 4.710 4.350 -0.000 0.000 0.258 217 E C -0.956 175.650 176.600 0.010 0.000 1.033 217 E CA -0.651 55.750 56.400 0.002 0.000 0.893 217 E CB 2.401 32.102 29.700 0.001 0.000 1.204 217 E HN -0.086 nan 8.360 nan 0.000 0.425 218 V N 1.235 121.151 119.914 0.003 0.000 2.516 218 V HA 0.226 4.346 4.120 -0.000 0.000 0.271 218 V C -1.035 175.056 176.094 -0.006 0.000 0.992 218 V CA -0.326 61.979 62.300 0.009 0.000 0.857 218 V CB 1.053 32.859 31.823 -0.028 0.000 1.047 218 V HN 0.552 nan 8.190 nan 0.000 0.455 219 E N 4.447 124.660 120.200 0.022 0.000 2.171 219 E HA 0.636 4.986 4.350 -0.000 0.000 0.271 219 E C -1.541 175.084 176.600 0.043 0.000 0.916 219 E CA -0.499 55.911 56.400 0.017 0.000 0.774 219 E CB 2.272 31.983 29.700 0.017 0.000 1.128 219 E HN 0.507 nan 8.360 nan 0.000 0.403 220 V N 5.210 125.143 119.914 0.032 0.000 2.703 220 V HA 0.135 4.255 4.120 -0.000 0.000 0.290 220 V C -0.500 175.620 176.094 0.044 0.000 1.035 220 V CA -0.560 61.777 62.300 0.061 0.000 1.185 220 V CB 1.083 32.965 31.823 0.098 0.000 1.178 220 V HN 0.436 nan 8.190 nan 0.000 0.562 221 V N 3.282 123.219 119.914 0.038 0.000 2.539 221 V HA 0.506 4.626 4.120 -0.000 0.000 0.292 221 V C -0.188 175.935 176.094 0.049 0.000 1.045 221 V CA -0.535 61.785 62.300 0.034 0.000 0.945 221 V CB 2.263 34.099 31.823 0.021 0.000 0.993 221 V HN 0.340 nan 8.190 nan 0.000 0.464 222 L N 4.929 126.182 121.223 0.051 0.000 2.343 222 L HA 0.475 4.815 4.340 -0.000 0.000 0.278 222 L C 0.204 177.091 176.870 0.029 0.000 0.996 222 L CA -0.694 54.184 54.840 0.063 0.000 0.831 222 L CB 1.765 43.891 42.059 0.111 0.000 1.232 222 L HN 0.640 nan 8.230 nan 0.000 0.413 223 K N 4.101 124.510 120.400 0.014 0.000 2.494 223 K HA 0.031 4.351 4.320 -0.000 0.000 0.273 223 K C -1.548 175.042 176.600 -0.016 0.000 0.970 223 K CA -1.174 55.112 56.287 -0.002 0.000 0.963 223 K CB 0.457 32.952 32.500 -0.009 0.000 0.913 223 K HN 0.284 nan 8.250 nan 0.000 0.502 224 P HA -0.182 nan 4.420 nan 0.000 0.215 224 P C 1.104 178.382 177.300 -0.037 0.000 1.157 224 P CA 1.279 64.368 63.100 -0.020 0.000 0.863 224 P CB 0.129 31.822 31.700 -0.013 0.000 0.787 225 E N 0.190 120.367 120.200 -0.038 0.000 2.401 225 E HA -0.222 4.128 4.350 -0.000 0.000 0.199 225 E C 1.374 177.923 176.600 -0.085 0.000 1.023 225 E CA 1.136 57.507 56.400 -0.048 0.000 0.859 225 E CB -0.943 28.736 29.700 -0.035 0.000 0.780 225 E HN 0.263 nan 8.360 nan 0.000 0.523 226 E N 0.591 120.726 120.200 -0.109 0.000 2.338 226 E HA -0.008 4.342 4.350 -0.000 0.000 0.197 226 E C 1.076 177.479 176.600 -0.330 0.000 1.007 226 E CA 0.502 56.770 56.400 -0.219 0.000 0.849 226 E CB -0.038 29.550 29.700 -0.188 0.000 0.774 226 E HN 0.421 nan 8.360 nan 0.000 0.506 227 L N -2.990 118.128 121.223 -0.175 0.000 2.192 227 L HA 0.646 4.986 4.340 -0.000 0.000 0.250 227 L C -0.263 176.570 176.870 -0.062 0.000 1.114 227 L CA -1.131 53.634 54.840 -0.126 0.000 1.065 227 L CB 0.961 42.984 42.059 -0.059 0.000 1.609 227 L HN -0.321 nan 8.230 nan 0.000 0.495 228 R N -0.297 120.185 120.500 -0.030 0.000 2.561 228 R HA 0.728 5.068 4.340 -0.000 0.000 0.266 228 R C -2.212 174.086 176.300 -0.004 0.000 1.091 228 R CA -0.459 55.630 56.100 -0.017 0.000 0.927 228 R CB 1.729 32.020 30.300 -0.015 0.000 1.240 228 R HN 0.793 nan 8.270 nan 0.000 0.449 229 I N 4.131 124.699 120.570 -0.003 0.000 2.439 229 I HA 0.292 4.462 4.170 -0.000 0.000 0.283 229 I C -0.801 175.316 176.117 0.001 0.000 1.023 229 I CA -0.729 60.572 61.300 0.001 0.000 1.100 229 I CB 1.820 39.821 38.000 0.002 0.000 1.238 229 I HN 0.597 nan 8.210 nan 0.000 0.445 230 D N 5.907 126.309 120.400 0.003 0.000 2.437 230 D HA 0.671 5.311 4.640 -0.000 0.000 0.259 230 D C -0.676 175.626 176.300 0.003 0.000 1.118 230 D CA -0.183 53.819 54.000 0.002 0.000 1.017 230 D CB 2.564 43.365 40.800 0.003 0.000 1.120 230 D HN 0.174 nan 8.370 nan 0.000 0.541 231 V N -1.001 118.914 119.914 0.002 0.000 2.752 231 V HA 0.581 4.701 4.120 -0.000 0.000 0.302 231 V C -0.352 175.743 176.094 0.002 0.000 1.133 231 V CA -0.954 61.348 62.300 0.002 0.000 0.919 231 V CB 1.582 33.406 31.823 0.002 0.000 1.026 231 V HN 0.614 nan 8.190 nan 0.000 0.429 232 M N 1.656 121.257 119.600 0.002 0.000 2.716 232 M HA 0.706 5.186 4.480 -0.000 0.000 0.278 232 M C -0.924 175.377 176.300 0.002 0.000 1.281 232 M CA -0.871 54.431 55.300 0.002 0.000 0.814 232 M CB 2.127 34.728 32.600 0.002 0.000 1.719 232 M HN 0.606 nan 8.290 nan 0.000 0.457 233 R N 1.298 121.799 120.500 0.001 0.000 2.421 233 R HA 0.555 4.895 4.340 -0.000 0.000 0.305 233 R C 0.259 176.559 176.300 0.001 0.000 1.039 233 R CA 0.292 56.392 56.100 0.001 0.000 1.003 233 R CB 0.648 30.949 30.300 0.001 0.000 0.959 233 R HN 0.810 nan 8.270 nan 0.000 0.427 234 A N 2.567 125.388 122.820 0.001 0.000 2.448 234 A HA 0.070 4.390 4.320 -0.000 0.000 0.239 234 A C 0.122 177.707 177.584 0.001 0.000 1.080 234 A CA 0.043 52.081 52.037 0.001 0.000 0.779 234 A CB 0.622 19.623 19.000 0.001 0.000 1.026 234 A HN 0.595 nan 8.150 nan 0.000 0.499 235 S N 0.262 115.963 115.700 0.001 0.000 2.429 235 S HA 0.679 5.149 4.470 -0.000 0.000 0.302 235 S C 0.244 174.845 174.600 0.001 0.000 1.115 235 S CA 0.553 58.754 58.200 0.001 0.000 1.095 235 S CB 0.032 63.233 63.200 0.001 0.000 0.987 235 S HN 2.358 nan 8.310 nan 0.000 0.474 236 G N 4.876 113.676 108.800 0.001 0.000 2.339 236 G HA2 0.199 4.159 3.960 -0.000 0.000 0.275 236 G HA3 0.199 4.159 3.960 -0.000 0.000 0.275 236 G C -3.314 171.586 174.900 0.000 0.000 1.323 236 G CA -0.879 44.221 45.100 0.000 0.000 0.927 236 G HN 0.653 nan 8.290 nan 0.000 0.486 237 P HA 0.541 nan 4.420 nan 0.000 0.274 237 P C 0.676 177.976 177.300 0.000 0.000 1.231 237 P CA 1.209 64.309 63.100 0.000 0.000 0.790 237 P CB 1.209 32.909 31.700 -0.000 0.000 0.951 238 G N -0.366 108.434 108.800 -0.000 0.000 3.732 238 G HA2 0.289 4.249 3.960 -0.000 0.000 0.220 238 G HA3 0.289 4.249 3.960 -0.000 0.000 0.220 238 G C 0.582 175.482 174.900 -0.000 0.000 0.903 238 G CA 0.634 45.734 45.100 -0.000 0.000 0.896 238 G HN 0.921 nan 8.290 nan 0.000 0.685 239 G N 0.743 109.543 108.800 -0.000 0.000 2.602 239 G HA2 -0.357 3.603 3.960 -0.000 0.000 0.306 239 G HA3 -0.357 3.603 3.960 -0.000 0.000 0.306 239 G C 0.950 175.850 174.900 -0.000 0.000 1.301 239 G CA 1.481 46.581 45.100 -0.000 0.000 0.974 239 G HN 0.922 nan 8.290 nan 0.000 0.547 240 Q N 0.406 120.206 119.800 -0.000 0.000 2.173 240 Q HA -0.029 4.311 4.340 -0.000 0.000 0.208 240 Q C 2.835 178.835 176.000 -0.000 0.000 0.989 240 Q CA 2.849 58.652 55.803 -0.000 0.000 0.872 240 Q CB -0.790 27.948 28.738 -0.000 0.000 0.909 240 Q HN 0.920 nan 8.270 nan 0.000 0.420 241 G N -0.124 108.676 108.800 -0.000 0.000 2.771 241 G HA2 -0.320 3.640 3.960 -0.000 0.000 0.214 241 G HA3 -0.320 3.640 3.960 -0.000 0.000 0.214 241 G C 1.391 176.291 174.900 0.000 0.000 1.331 241 G CA 0.864 45.964 45.100 0.000 0.000 0.812 241 G HN 0.332 nan 8.290 nan 0.000 0.628 242 V N 1.504 121.419 119.914 0.000 0.000 2.418 242 V HA -0.340 3.780 4.120 -0.000 0.000 0.258 242 V C 2.443 178.537 176.094 0.000 0.000 1.088 242 V CA 3.003 65.303 62.300 0.000 0.000 1.091 242 V CB -0.728 31.095 31.823 0.000 0.000 0.669 242 V HN 0.582 nan 8.190 nan 0.000 0.461 243 N N -0.525 118.175 118.700 0.000 0.000 2.216 243 N HA -0.089 4.651 4.740 -0.000 0.000 0.183 243 N C 1.287 176.797 175.510 0.000 0.000 1.017 243 N CA 1.569 54.619 53.050 0.000 0.000 0.861 243 N CB -0.078 38.409 38.487 0.000 0.000 0.986 243 N HN 0.704 nan 8.380 nan 0.000 0.428 244 T N -1.636 112.919 114.554 0.000 0.000 3.266 244 T HA 0.167 4.517 4.350 -0.000 0.000 0.278 244 T C -0.044 174.657 174.700 0.000 0.000 1.010 244 T CA -0.618 61.482 62.100 0.000 0.000 0.909 244 T CB -0.057 68.811 68.868 0.000 0.000 1.122 244 T HN -0.002 nan 8.240 nan 0.000 0.536 245 T N -1.489 113.066 114.554 0.000 0.000 2.900 245 T HA 0.497 4.847 4.350 -0.000 0.000 0.295 245 T C -1.044 173.656 174.700 0.001 0.000 1.044 245 T CA -0.814 61.286 62.100 0.000 0.000 0.995 245 T CB 1.928 70.796 68.868 0.000 0.000 1.072 245 T HN -0.085 nan 8.240 nan 0.000 0.473 246 D N 2.203 122.604 120.400 0.001 0.000 3.057 246 D HA 0.161 4.801 4.640 -0.000 0.000 0.246 246 D C 1.498 177.798 176.300 0.001 0.000 1.238 246 D CA -0.015 53.986 54.000 0.001 0.000 0.949 246 D CB 0.369 41.170 40.800 0.001 0.000 1.086 246 D HN 0.687 nan 8.370 nan 0.000 0.487 247 S N -0.722 114.978 115.700 0.001 0.000 2.428 247 S HA 0.001 4.471 4.470 -0.000 0.000 0.230 247 S C 1.260 175.861 174.600 0.002 0.000 1.014 247 S CA -0.239 57.962 58.200 0.001 0.000 0.957 247 S CB 0.188 63.389 63.200 0.001 0.000 0.784 247 S HN 0.273 nan 8.310 nan 0.000 0.499 248 A N 2.286 125.107 122.820 0.002 0.000 2.396 248 A HA 0.642 4.962 4.320 -0.000 0.000 0.279 248 A C 0.043 177.629 177.584 0.003 0.000 1.165 248 A CA -0.466 51.572 52.037 0.003 0.000 0.824 248 A CB 0.332 19.333 19.000 0.002 0.000 1.100 248 A HN 0.388 nan 8.150 nan 0.000 0.516 249 V N 3.309 123.225 119.914 0.004 0.000 3.336 249 V HA 0.870 4.990 4.120 -0.000 0.000 0.314 249 V C 0.179 176.277 176.094 0.006 0.000 1.088 249 V CA -0.862 61.441 62.300 0.005 0.000 1.033 249 V CB 1.698 33.524 31.823 0.005 0.000 1.181 249 V HN 1.016 nan 8.190 nan 0.000 0.449 250 R N 1.859 122.363 120.500 0.008 0.000 2.983 250 R HA 0.461 4.801 4.340 -0.000 0.000 0.290 250 R C -2.234 174.074 176.300 0.013 0.000 1.327 250 R CA -0.390 55.716 56.100 0.010 0.000 1.062 250 R CB 1.362 31.668 30.300 0.009 0.000 1.307 250 R HN 0.555 nan 8.270 nan 0.000 0.389 251 V N 4.386 124.311 119.914 0.018 0.000 2.465 251 V HA 0.524 4.644 4.120 -0.000 0.000 0.279 251 V C -0.155 175.960 176.094 0.034 0.000 1.045 251 V CA -0.570 61.745 62.300 0.025 0.000 0.938 251 V CB 1.608 33.449 31.823 0.030 0.000 0.986 251 V HN 0.439 nan 8.190 nan 0.000 0.467 252 V N 3.896 123.832 119.914 0.036 0.000 2.577 252 V HA 0.330 4.450 4.120 -0.000 0.000 0.303 252 V C -0.402 175.733 176.094 0.068 0.000 1.042 252 V CA -0.661 61.669 62.300 0.050 0.000 0.872 252 V CB 1.723 33.563 31.823 0.028 0.000 0.998 252 V HN 0.918 nan 8.190 nan 0.000 0.423 253 H N 5.540 124.613 119.070 0.005 0.000 2.741 253 H HA 0.342 4.898 4.556 -0.000 0.000 0.282 253 H C 0.737 176.067 175.328 0.004 0.000 1.122 253 H CA -0.295 55.757 56.048 0.005 0.000 1.293 253 H CB 1.089 30.855 29.762 0.007 0.000 1.415 253 H HN 0.648 nan 8.280 nan 0.000 0.472 254 L N 5.967 127.145 121.223 -0.075 0.000 1.997 254 L HA -0.186 4.154 4.340 -0.000 0.000 0.216 254 L C -0.516 176.385 176.870 0.052 0.000 1.074 254 L CA 1.356 56.182 54.840 -0.023 0.000 0.763 254 L CB -1.842 40.170 42.059 -0.077 0.000 0.890 254 L HN 0.479 nan 8.230 nan 0.000 0.434 255 P HA -0.175 nan 4.420 nan 0.000 0.213 255 P C 1.794 179.210 177.300 0.193 0.000 1.170 255 P CA 2.166 65.357 63.100 0.152 0.000 0.898 255 P CB -0.269 31.563 31.700 0.221 0.000 0.787 256 T N -5.037 109.702 114.554 0.308 0.000 2.951 256 T HA 0.131 4.480 4.350 -0.000 0.000 0.268 256 T C 1.750 176.495 174.700 0.075 0.000 1.073 256 T CA 1.153 63.302 62.100 0.081 0.000 1.134 256 T CB -1.065 67.733 68.868 -0.118 0.000 0.884 256 T HN 0.298 nan 8.240 nan 0.000 0.479 257 G N 1.722 110.598 108.800 0.127 0.000 2.225 257 G HA2 -0.265 3.695 3.960 -0.000 0.000 0.254 257 G HA3 -0.265 3.695 3.960 -0.000 0.000 0.254 257 G C 0.153 175.088 174.900 0.058 0.000 0.988 257 G CA 0.004 45.148 45.100 0.074 0.000 0.625 257 G HN 1.150 nan 8.290 nan 0.000 0.527 258 I N 1.553 122.153 120.570 0.049 0.000 2.683 258 I HA 0.614 4.784 4.170 -0.000 0.000 0.286 258 I C 0.432 176.579 176.117 0.050 0.000 1.175 258 I CA 0.381 61.696 61.300 0.026 0.000 1.429 258 I CB 0.916 38.907 38.000 -0.015 0.000 1.371 258 I HN 0.540 nan 8.210 nan 0.000 0.569 259 T N 4.109 118.683 114.554 0.033 0.000 2.907 259 T HA 0.837 5.187 4.350 -0.000 0.000 0.292 259 T C -0.779 173.936 174.700 0.024 0.000 1.043 259 T CA -0.711 61.410 62.100 0.035 0.000 1.003 259 T CB 1.615 70.499 68.868 0.027 0.000 1.084 259 T HN 0.634 nan 8.240 nan 0.000 0.483 260 V N 2.599 122.528 119.914 0.025 0.000 2.760 260 V HA 0.766 4.886 4.120 -0.000 0.000 0.309 260 V C 0.170 176.274 176.094 0.015 0.000 1.077 260 V CA -0.659 61.651 62.300 0.018 0.000 0.910 260 V CB 2.251 34.086 31.823 0.019 0.000 1.008 260 V HN 1.331 nan 8.190 nan 0.000 0.424 261 T N 0.117 114.678 114.554 0.011 0.000 2.924 261 T HA 0.761 5.111 4.350 -0.000 0.000 0.291 261 T C -0.796 173.909 174.700 0.007 0.000 1.045 261 T CA -0.813 61.292 62.100 0.009 0.000 1.015 261 T CB 1.790 70.662 68.868 0.007 0.000 1.103 261 T HN 1.001 nan 8.240 nan 0.000 0.496 262 C N 2.477 121.781 119.300 0.006 0.000 2.832 262 C HA 0.536 4.996 4.460 -0.000 0.000 0.383 262 C C -0.512 174.481 174.990 0.004 0.000 1.046 262 C CA -0.279 58.742 59.018 0.005 0.000 1.242 262 C CB 0.553 28.296 27.740 0.005 0.000 1.693 262 C HN 1.088 nan 8.230 nan 0.000 0.497 263 Q N 3.014 122.816 119.800 0.003 0.000 2.110 263 Q HA 0.122 4.462 4.340 -0.000 0.000 0.232 263 Q C 1.387 177.388 176.000 0.002 0.000 0.810 263 Q CA -0.136 55.668 55.803 0.002 0.000 1.083 263 Q CB 0.949 29.688 28.738 0.002 0.000 1.193 263 Q HN 0.853 nan 8.270 nan 0.000 0.471 264 T N 1.421 115.976 114.554 0.002 0.000 2.536 264 T HA -0.195 4.155 4.350 -0.000 0.000 0.263 264 T C 1.208 175.909 174.700 0.001 0.000 1.115 264 T CA 2.166 64.267 62.100 0.001 0.000 1.180 264 T CB -0.264 68.605 68.868 0.001 0.000 0.864 264 T HN 0.597 nan 8.240 nan 0.000 0.419 265 T N -0.480 114.075 114.554 0.001 0.000 2.923 265 T HA 0.469 4.819 4.350 -0.000 0.000 0.281 265 T C 0.674 175.375 174.700 0.001 0.000 0.995 265 T CA -0.954 61.147 62.100 0.000 0.000 0.985 265 T CB 1.197 70.065 68.868 0.000 0.000 1.114 265 T HN 0.146 nan 8.240 nan 0.000 0.548 266 R N 0.457 120.958 120.500 0.000 0.000 2.328 266 R HA 0.142 4.482 4.340 -0.000 0.000 0.200 266 R C 0.464 176.764 176.300 0.000 0.000 0.983 266 R CA 0.024 56.124 56.100 0.000 0.000 1.062 266 R CB -0.133 30.167 30.300 0.000 0.000 0.956 266 R HN 0.708 nan 8.270 nan 0.000 0.479 267 S N -0.213 115.487 115.700 0.000 0.000 2.420 267 S HA 0.096 4.566 4.470 -0.000 0.000 0.313 267 S C 0.817 175.417 174.600 0.001 0.000 1.079 267 S CA -0.918 57.282 58.200 0.000 0.000 1.104 267 S CB 2.213 65.413 63.200 0.000 0.000 0.969 267 S HN 0.175 nan 8.310 nan 0.000 0.471 268 Q N 2.728 122.529 119.800 0.001 0.000 2.133 268 Q HA -0.203 4.137 4.340 -0.000 0.000 0.208 268 Q C 1.418 177.419 176.000 0.002 0.000 0.991 268 Q CA 2.113 57.916 55.803 0.001 0.000 0.867 268 Q CB -0.327 28.412 28.738 0.001 0.000 0.911 268 Q HN 0.947 nan 8.270 nan 0.000 0.417 269 I N 0.415 120.985 120.570 0.001 0.000 2.090 269 I HA -0.315 3.855 4.170 -0.000 0.000 0.236 269 I C 2.362 178.480 176.117 0.001 0.000 1.064 269 I CA 1.501 62.802 61.300 0.001 0.000 1.324 269 I CB -0.370 37.630 38.000 0.000 0.000 1.044 269 I HN 0.141 nan 8.210 nan 0.000 0.399 270 K N 0.654 121.055 120.400 0.001 0.000 2.281 270 K HA -0.146 4.174 4.320 -0.000 0.000 0.203 270 K C 1.666 178.267 176.600 0.002 0.000 1.046 270 K CA 0.998 57.286 56.287 0.001 0.000 0.938 270 K CB -0.245 32.255 32.500 0.000 0.000 0.737 270 K HN 0.365 nan 8.250 nan 0.000 0.458 271 N N 0.779 119.481 118.700 0.002 0.000 2.376 271 N HA -0.068 4.672 4.740 -0.000 0.000 0.177 271 N C 1.394 176.907 175.510 0.005 0.000 1.024 271 N CA 0.763 53.815 53.050 0.003 0.000 0.893 271 N CB 0.143 38.632 38.487 0.003 0.000 0.980 271 N HN 0.175 nan 8.380 nan 0.000 0.439 272 K N 1.182 121.585 120.400 0.004 0.000 2.025 272 K HA -0.100 4.220 4.320 -0.000 0.000 0.207 272 K C 1.763 178.367 176.600 0.007 0.000 1.049 272 K CA 0.905 57.196 56.287 0.006 0.000 0.933 272 K CB 0.008 32.511 32.500 0.005 0.000 0.714 272 K HN 0.192 nan 8.250 nan 0.000 0.438 273 E N 0.536 120.739 120.200 0.005 0.000 2.021 273 E HA -0.237 4.113 4.350 -0.000 0.000 0.200 273 E C 1.930 178.533 176.600 0.005 0.000 1.015 273 E CA 1.413 57.815 56.400 0.004 0.000 0.824 273 E CB -0.011 29.690 29.700 0.002 0.000 0.762 273 E HN 0.029 nan 8.360 nan 0.000 0.454 274 L N 0.659 121.885 121.223 0.004 0.000 2.081 274 L HA -0.223 4.117 4.340 -0.000 0.000 0.212 274 L C 2.227 179.101 176.870 0.007 0.000 1.080 274 L CA 1.975 56.817 54.840 0.004 0.000 0.754 274 L CB -1.120 40.941 42.059 0.003 0.000 0.893 274 L HN 0.234 nan 8.230 nan 0.000 0.433 275 A N -0.242 122.583 122.820 0.008 0.000 1.842 275 A HA -0.223 4.096 4.320 -0.000 0.000 0.217 275 A C 2.275 179.869 177.584 0.016 0.000 1.206 275 A CA 2.136 54.180 52.037 0.012 0.000 0.630 275 A CB -1.050 17.957 19.000 0.012 0.000 0.839 275 A HN 0.375 nan 8.150 nan 0.000 0.447 276 L N -0.698 120.535 121.223 0.017 0.000 2.043 276 L HA -0.252 4.088 4.340 -0.000 0.000 0.212 276 L C 2.590 179.471 176.870 0.019 0.000 1.075 276 L CA 2.062 56.916 54.840 0.023 0.000 0.752 276 L CB -0.588 41.484 42.059 0.021 0.000 0.891 276 L HN 0.439 nan 8.230 nan 0.000 0.432 277 K N 0.205 120.613 120.400 0.012 0.000 2.089 277 K HA -0.242 4.078 4.320 -0.000 0.000 0.210 277 K C 1.988 178.594 176.600 0.010 0.000 1.048 277 K CA 1.741 58.033 56.287 0.007 0.000 0.926 277 K CB -0.083 32.419 32.500 0.003 0.000 0.714 277 K HN 0.108 nan 8.250 nan 0.000 0.448 278 I N 0.860 121.437 120.570 0.012 0.000 2.235 278 I HA -0.212 3.958 4.170 -0.000 0.000 0.241 278 I C 2.113 178.240 176.117 0.017 0.000 1.085 278 I CA 0.834 62.141 61.300 0.012 0.000 1.378 278 I CB -0.454 37.552 38.000 0.011 0.000 1.076 278 I HN 0.204 nan 8.210 nan 0.000 0.415 279 L N 0.389 121.625 121.223 0.021 0.000 2.010 279 L HA -0.368 3.972 4.340 -0.000 0.000 0.219 279 L C 2.658 179.543 176.870 0.025 0.000 1.077 279 L CA 1.932 56.788 54.840 0.027 0.000 0.773 279 L CB -0.387 41.699 42.059 0.045 0.000 0.892 279 L HN 0.265 nan 8.230 nan 0.000 0.436 280 K N -0.656 119.763 120.400 0.032 0.000 1.987 280 K HA -0.247 4.073 4.320 -0.000 0.000 0.216 280 K C 2.055 178.683 176.600 0.047 0.000 1.051 280 K CA 1.664 57.973 56.287 0.037 0.000 0.942 280 K CB -0.392 32.124 32.500 0.026 0.000 0.722 280 K HN 0.504 nan 8.250 nan 0.000 0.444 281 A N 1.620 124.462 122.820 0.037 0.000 1.896 281 A HA -0.259 4.061 4.320 -0.000 0.000 0.220 281 A C 2.027 179.649 177.584 0.063 0.000 1.206 281 A CA 2.096 54.163 52.037 0.050 0.000 0.647 281 A CB -0.679 18.338 19.000 0.028 0.000 0.828 281 A HN 0.357 nan 8.150 nan 0.000 0.455 282 R N -0.883 119.635 120.500 0.029 0.000 2.339 282 R HA 0.183 4.523 4.340 -0.000 0.000 0.199 282 R C 1.546 177.834 176.300 -0.019 0.000 1.018 282 R CA 0.294 56.397 56.100 0.006 0.000 1.036 282 R CB -0.134 30.163 30.300 -0.005 0.000 0.899 282 R HN 0.472 nan 8.270 nan 0.000 0.473 283 L N -1.249 119.971 121.223 -0.006 0.000 2.357 283 L HA -0.023 4.317 4.340 -0.000 0.000 0.211 283 L C 1.655 178.523 176.870 -0.003 0.000 1.075 283 L CA 0.785 55.592 54.840 -0.054 0.000 0.830 283 L CB -0.163 41.857 42.059 -0.066 0.000 0.996 283 L HN 0.206 nan 8.230 nan 0.000 0.467 284 Y N 1.267 121.536 120.300 -0.051 0.000 2.373 284 Y HA -0.203 4.347 4.550 -0.000 0.000 0.293 284 Y C 2.407 178.283 175.900 -0.039 0.000 1.129 284 Y CA 1.418 59.495 58.100 -0.039 0.000 1.226 284 Y CB 0.164 38.607 38.460 -0.028 0.000 1.000 284 Y HN 0.122 nan 8.280 nan 0.000 0.549 285 E N 0.356 120.514 120.200 -0.070 0.000 2.204 285 E HA -0.147 4.203 4.350 -0.000 0.000 0.194 285 E C 1.911 178.415 176.600 -0.160 0.000 0.989 285 E CA 1.051 57.380 56.400 -0.119 0.000 0.824 285 E CB -0.431 29.248 29.700 -0.035 0.000 0.756 285 E HN 0.595 nan 8.360 nan 0.000 0.477 286 L N -0.249 120.887 121.223 -0.144 0.000 2.529 286 L HA 0.084 4.424 4.340 -0.000 0.000 0.223 286 L C 1.870 178.641 176.870 -0.164 0.000 1.113 286 L CA 0.471 55.232 54.840 -0.132 0.000 0.861 286 L CB 0.129 42.121 42.059 -0.113 0.000 1.012 286 L HN 0.049 nan 8.230 nan 0.000 0.461 287 E N 0.370 120.429 120.200 -0.234 0.000 2.190 287 E HA -0.141 4.209 4.350 -0.000 0.000 0.191 287 E C 1.982 178.358 176.600 -0.373 0.000 0.978 287 E CA 0.581 56.825 56.400 -0.260 0.000 0.839 287 E CB 0.310 29.878 29.700 -0.221 0.000 0.787 287 E HN 0.375 nan 8.360 nan 0.000 0.473 288 R N 0.339 120.516 120.500 -0.539 0.000 2.223 288 R HA -0.020 4.320 4.340 -0.000 0.000 0.198 288 R C 2.074 178.234 176.300 -0.233 0.000 0.984 288 R CA 0.797 56.623 56.100 -0.456 0.000 1.018 288 R CB 0.158 30.113 30.300 -0.576 0.000 0.945 288 R HN -0.165 nan 8.270 nan 0.000 0.479 289 K N 0.943 121.226 120.400 -0.195 0.000 2.148 289 K HA -0.073 4.247 4.320 -0.000 0.000 0.204 289 K C 1.280 177.821 176.600 -0.099 0.000 1.050 289 K CA 1.588 57.803 56.287 -0.121 0.000 0.942 289 K CB 0.221 32.661 32.500 -0.101 0.000 0.724 289 K HN 0.005 nan 8.250 nan 0.000 0.446 290 K N -0.626 119.708 120.400 -0.110 0.000 2.352 290 K HA 0.155 4.475 4.320 -0.000 0.000 0.194 290 K C 1.737 178.287 176.600 -0.083 0.000 1.038 290 K CA -0.100 56.138 56.287 -0.082 0.000 1.023 290 K CB 0.301 32.757 32.500 -0.073 0.000 0.840 290 K HN -0.077 nan 8.250 nan 0.000 0.519 291 R N 1.272 121.705 120.500 -0.112 0.000 2.276 291 R HA -0.017 4.323 4.340 -0.000 0.000 0.203 291 R C 0.570 176.825 176.300 -0.076 0.000 1.017 291 R CA 1.112 57.154 56.100 -0.098 0.000 1.010 291 R CB 0.237 30.458 30.300 -0.133 0.000 0.900 291 R HN 0.318 nan 8.270 nan 0.000 0.469 292 E N -1.275 118.881 120.200 -0.074 0.000 2.508 292 E HA 0.057 4.407 4.350 -0.000 0.000 0.217 292 E C 0.882 177.456 176.600 -0.043 0.000 0.896 292 E CA -0.145 56.222 56.400 -0.055 0.000 1.118 292 E CB 0.498 30.166 29.700 -0.054 0.000 1.133 292 E HN 0.241 nan 8.360 nan 0.000 0.526 293 E N 1.017 121.190 120.200 -0.045 0.000 2.482 293 E HA -0.089 4.261 4.350 -0.000 0.000 0.196 293 E C 1.206 177.789 176.600 -0.028 0.000 1.047 293 E CA 0.533 56.914 56.400 -0.033 0.000 0.869 293 E CB 0.283 29.963 29.700 -0.034 0.000 0.836 293 E HN 0.303 nan 8.360 nan 0.000 0.520 294 E N 0.249 120.428 120.200 -0.035 0.000 2.083 294 E HA 0.028 4.378 4.350 -0.000 0.000 0.193 294 E C 2.021 178.602 176.600 -0.032 0.000 0.950 294 E CA 0.154 56.535 56.400 -0.033 0.000 0.849 294 E CB 0.100 29.776 29.700 -0.041 0.000 0.827 294 E HN 0.151 nan 8.360 nan 0.000 0.465 295 L N 1.304 122.503 121.223 -0.040 0.000 2.362 295 L HA -0.092 4.248 4.340 -0.000 0.000 0.219 295 L C 2.438 179.292 176.870 -0.028 0.000 1.134 295 L CA 0.875 55.689 54.840 -0.042 0.000 0.807 295 L CB -0.248 41.781 42.059 -0.051 0.000 0.927 295 L HN 0.054 nan 8.230 nan 0.000 0.447 296 K N 0.731 121.119 120.400 -0.021 0.000 2.262 296 K HA 0.046 4.366 4.320 -0.000 0.000 0.200 296 K C 1.883 178.483 176.600 0.000 0.000 1.049 296 K CA 0.693 56.974 56.287 -0.010 0.000 0.979 296 K CB 0.146 32.639 32.500 -0.011 0.000 0.773 296 K HN 0.204 nan 8.250 nan 0.000 0.474 297 A N 0.677 123.496 122.820 -0.001 0.000 2.252 297 A HA 0.090 4.410 4.320 -0.000 0.000 0.207 297 A C 1.292 178.888 177.584 0.020 0.000 1.194 297 A CA 0.392 52.435 52.037 0.009 0.000 0.809 297 A CB -0.220 18.782 19.000 0.005 0.000 0.814 297 A HN 0.287 nan 8.150 nan 0.000 0.482 298 L N -1.614 119.619 121.223 0.016 0.000 2.667 298 L HA 0.199 4.539 4.340 -0.000 0.000 0.232 298 L C 2.159 179.059 176.870 0.050 0.000 1.138 298 L CA 0.020 54.880 54.840 0.032 0.000 0.921 298 L CB 0.021 42.079 42.059 -0.003 0.000 1.180 298 L HN 0.353 nan 8.230 nan 0.000 0.487 299 R N -0.283 120.240 120.500 0.038 0.000 2.175 299 R HA 0.293 4.633 4.340 -0.000 0.000 0.202 299 R C 0.833 177.166 176.300 0.054 0.000 1.018 299 R CA 0.646 56.770 56.100 0.041 0.000 1.029 299 R CB 0.632 30.945 30.300 0.022 0.000 0.959 299 R HN 0.361 nan 8.270 nan 0.000 0.480 300 G N 0.064 108.895 108.800 0.052 0.000 2.278 300 G HA2 -0.084 3.876 3.960 -0.000 0.000 0.265 300 G HA3 -0.084 3.876 3.960 -0.000 0.000 0.265 300 G C -0.872 174.055 174.900 0.046 0.000 1.329 300 G CA -0.613 44.522 45.100 0.057 0.000 1.017 300 G HN 0.058 nan 8.290 nan 0.000 0.472 301 E N -0.884 119.346 120.200 0.049 0.000 2.753 301 E HA 0.270 4.620 4.350 -0.000 0.000 0.218 301 E C 1.003 177.631 176.600 0.047 0.000 0.956 301 E CA 0.773 57.197 56.400 0.041 0.000 1.244 301 E CB 1.183 30.906 29.700 0.039 0.000 1.114 301 E HN 0.967 nan 8.360 nan 0.000 0.530 302 V N -1.284 118.663 119.914 0.055 0.000 4.198 302 V HA 0.501 4.621 4.120 -0.000 0.000 0.288 302 V C -0.255 175.871 176.094 0.053 0.000 1.363 302 V CA -0.531 61.806 62.300 0.061 0.000 0.908 302 V CB 0.614 32.487 31.823 0.083 0.000 1.293 302 V HN 0.307 nan 8.190 nan 0.000 0.463 303 E N -1.551 118.686 120.200 0.061 0.000 2.689 303 E HA -0.156 4.194 4.350 -0.000 0.000 0.165 303 E C -2.242 174.382 176.600 0.039 0.000 1.609 303 E CA 0.605 57.038 56.400 0.055 0.000 0.674 303 E CB -2.425 27.302 29.700 0.045 0.000 1.103 303 E HN 0.657 nan 8.360 nan 0.000 0.373 304 P HA 0.217 nan 4.420 nan 0.000 0.249 304 P C 1.078 178.377 177.300 -0.002 0.000 1.229 304 P CA 0.450 63.560 63.100 0.017 0.000 0.788 304 P CB 0.199 31.911 31.700 0.021 0.000 1.072 305 I N -2.329 118.251 120.570 0.016 0.000 5.742 305 I HA -0.355 3.815 4.170 -0.000 0.000 0.228 305 I C 0.505 176.557 176.117 -0.108 0.000 1.807 305 I CA 0.554 61.860 61.300 0.011 0.000 1.937 305 I CB -0.229 37.773 38.000 0.004 0.000 3.356 305 I HN 0.045 nan 8.210 nan 0.000 0.226 306 E N -0.029 120.067 120.200 -0.173 0.000 3.466 306 E HA 0.366 4.716 4.350 -0.000 0.000 0.265 306 E C -0.195 175.989 176.600 -0.693 0.000 1.291 306 E CA -0.149 56.008 56.400 -0.407 0.000 1.226 306 E CB 0.345 29.951 29.700 -0.157 0.000 1.404 306 E HN 0.239 nan 8.360 nan 0.000 0.697 307 W N -0.512 120.395 121.300 -0.656 0.000 1.902 307 W HA 0.298 4.958 4.660 -0.000 0.000 0.360 307 W C 1.357 177.875 176.519 -0.001 0.000 1.414 307 W CA 0.800 57.841 57.345 -0.508 0.000 1.457 307 W CB -0.172 29.160 29.460 -0.212 0.000 1.279 307 W HN 0.683 nan 8.180 nan 0.000 0.665 308 G N -0.004 109.094 108.800 0.496 0.000 2.380 308 G HA2 -0.371 3.589 3.960 -0.000 0.000 0.298 308 G HA3 -0.371 3.589 3.960 -0.000 0.000 0.298 308 G C 0.672 175.692 174.900 0.199 0.000 0.989 308 G CA 1.025 46.298 45.100 0.289 0.000 0.836 308 G HN 0.663 nan 8.290 nan 0.000 0.511 309 S N -2.052 113.796 115.700 0.247 0.000 2.559 309 S HA 0.298 4.768 4.470 -0.000 0.000 0.226 309 S C 0.808 175.486 174.600 0.130 0.000 1.030 309 S CA 0.473 58.769 58.200 0.160 0.000 0.956 309 S CB 0.388 63.673 63.200 0.142 0.000 0.900 309 S HN 0.551 nan 8.310 nan 0.000 0.510 310 Q N 2.129 122.006 119.800 0.128 0.000 2.469 310 Q HA 0.324 4.663 4.340 -0.000 0.000 0.279 310 Q C 0.763 176.697 176.000 -0.111 0.000 1.097 310 Q CA 0.578 56.377 55.803 -0.008 0.000 0.951 310 Q CB -0.196 28.428 28.738 -0.189 0.000 1.297 310 Q HN 0.724 nan 8.270 nan 0.000 0.465 311 I N -2.954 117.597 120.570 -0.033 0.000 3.994 311 I HA 0.462 4.632 4.170 -0.000 0.000 0.323 311 I C -0.307 175.810 176.117 0.000 0.000 1.501 311 I CA -0.569 60.712 61.300 -0.031 0.000 1.112 311 I CB 0.555 38.574 38.000 0.031 0.000 1.254 311 I HN 0.564 nan 8.210 nan 0.000 0.495 312 R N 1.142 121.667 120.500 0.041 0.000 5.678 312 R HA 0.193 4.533 4.340 -0.000 0.000 0.285 312 R C -1.786 174.572 176.300 0.097 0.000 0.863 312 R CA 0.027 56.177 56.100 0.083 0.000 1.511 312 R CB 0.639 30.854 30.300 -0.142 0.000 1.268 312 R HN 0.257 nan 8.270 nan 0.000 0.675 313 S N 2.835 118.640 115.700 0.175 0.000 2.693 313 S HA 0.681 5.151 4.470 -0.000 0.000 0.276 313 S C -1.268 173.342 174.600 0.017 0.000 1.192 313 S CA -0.234 58.053 58.200 0.145 0.000 0.994 313 S CB 0.669 63.961 63.200 0.154 0.000 1.012 313 S HN 0.386 nan 8.310 nan 0.000 0.550 314 Y N 0.289 120.439 120.300 -0.251 0.000 2.373 314 Y HA 0.533 5.083 4.550 -0.000 0.000 0.336 314 Y C -0.064 175.583 175.900 -0.422 0.000 0.979 314 Y CA -1.185 56.742 58.100 -0.289 0.000 1.080 314 Y CB 1.176 39.505 38.460 -0.219 0.000 1.190 314 Y HN 0.458 nan 8.280 nan 0.000 0.446 315 V N 1.451 121.133 119.914 -0.386 0.000 2.960 315 V HA 0.649 4.769 4.120 -0.000 0.000 0.315 315 V C -0.652 175.254 176.094 -0.314 0.000 1.087 315 V CA -0.773 61.251 62.300 -0.460 0.000 0.982 315 V CB 2.302 33.619 31.823 -0.842 0.000 1.039 315 V HN 0.838 nan 8.190 nan 0.000 0.437 316 L N 0.650 121.738 121.223 -0.225 0.000 3.076 316 L HA 0.319 4.659 4.340 -0.000 0.000 0.271 316 L C 1.231 178.040 176.870 -0.102 0.000 1.152 316 L CA 0.518 55.277 54.840 -0.135 0.000 0.996 316 L CB 0.476 42.475 42.059 -0.101 0.000 1.453 316 L HN 0.915 nan 8.230 nan 0.000 0.571 317 D N -0.542 119.791 120.400 -0.111 0.000 2.342 317 D HA 0.004 4.644 4.640 -0.000 0.000 0.221 317 D C 0.705 176.977 176.300 -0.047 0.000 1.101 317 D CA 0.174 54.133 54.000 -0.068 0.000 0.837 317 D CB 0.437 41.198 40.800 -0.065 0.000 0.938 317 D HN 0.090 nan 8.370 nan 0.000 0.508 318 K N 0.445 120.805 120.400 -0.065 0.000 2.637 318 K HA 0.086 4.406 4.320 -0.000 0.000 0.184 318 K C -0.437 176.195 176.600 0.052 0.000 1.200 318 K CA -0.511 55.786 56.287 0.017 0.000 1.122 318 K CB -0.382 32.151 32.500 0.054 0.000 0.926 318 K HN 0.078 nan 8.250 nan 0.000 0.535 319 N N 2.076 120.762 118.700 -0.023 0.000 2.834 319 N HA -0.259 4.481 4.740 -0.000 0.000 0.306 319 N C -0.917 174.648 175.510 0.091 0.000 1.120 319 N CA 1.182 54.235 53.050 0.006 0.000 0.783 319 N CB -0.627 37.895 38.487 0.059 0.000 0.997 319 N HN 0.363 nan 8.380 nan 0.000 0.590 320 Y N -2.497 117.734 120.300 -0.115 0.000 2.852 320 Y HA 0.610 5.160 4.550 -0.000 0.000 0.350 320 Y C -1.778 173.978 175.900 -0.240 0.000 1.272 320 Y CA -1.151 56.794 58.100 -0.257 0.000 1.086 320 Y CB 0.917 39.111 38.460 -0.443 0.000 1.408 320 Y HN -0.130 nan 8.280 nan 0.000 0.447 321 V N 2.151 122.103 119.914 0.063 0.000 2.614 321 V HA 0.354 4.474 4.120 -0.000 0.000 0.281 321 V C -1.007 175.016 176.094 -0.118 0.000 1.031 321 V CA -0.736 61.463 62.300 -0.168 0.000 0.899 321 V CB 1.237 32.824 31.823 -0.392 0.000 1.037 321 V HN 0.745 nan 8.190 nan 0.000 0.456 322 K N 3.213 123.603 120.400 -0.017 0.000 2.262 322 K HA 0.309 4.629 4.320 -0.000 0.000 0.282 322 K C -0.205 176.283 176.600 -0.186 0.000 1.066 322 K CA -0.017 56.176 56.287 -0.156 0.000 0.901 322 K CB 0.920 33.305 32.500 -0.192 0.000 1.089 322 K HN 0.626 nan 8.250 nan 0.000 0.476 323 D N 3.920 124.199 120.400 -0.202 0.000 2.365 323 D HA 0.045 4.685 4.640 -0.000 0.000 0.237 323 D C 0.076 176.284 176.300 -0.154 0.000 1.190 323 D CA -0.115 53.798 54.000 -0.144 0.000 0.867 323 D CB 0.531 41.226 40.800 -0.175 0.000 1.050 323 D HN 0.688 nan 8.370 nan 0.000 0.491 324 H N 2.918 121.884 119.070 -0.172 0.000 2.389 324 H HA -0.026 4.530 4.556 -0.000 0.000 0.299 324 H C 1.962 177.131 175.328 -0.266 0.000 1.081 324 H CA 1.114 57.064 56.048 -0.163 0.000 1.345 324 H CB 0.220 29.923 29.762 -0.098 0.000 1.393 324 H HN 0.364 nan 8.280 nan 0.000 0.520 325 R N -0.715 119.624 120.500 -0.270 0.000 2.115 325 R HA -0.182 4.158 4.340 -0.000 0.000 0.239 325 R C 2.388 178.186 176.300 -0.838 0.000 1.133 325 R CA 2.185 57.834 56.100 -0.751 0.000 0.935 325 R CB -0.475 29.235 30.300 -0.983 0.000 0.853 325 R HN 0.349 nan 8.270 nan 0.000 0.433 326 T N -2.751 111.486 114.554 -0.530 0.000 3.010 326 T HA 0.152 4.502 4.350 -0.000 0.000 0.252 326 T C 1.208 175.798 174.700 -0.184 0.000 1.047 326 T CA 1.359 63.265 62.100 -0.323 0.000 1.140 326 T CB 0.386 69.152 68.868 -0.171 0.000 0.885 326 T HN 0.530 nan 8.240 nan 0.000 0.464 327 G N 0.719 109.406 108.800 -0.188 0.000 2.284 327 G HA2 -0.120 3.840 3.960 -0.000 0.000 0.201 327 G HA3 -0.120 3.840 3.960 -0.000 0.000 0.201 327 G C 0.096 174.900 174.900 -0.159 0.000 0.998 327 G CA 0.046 45.048 45.100 -0.163 0.000 0.651 327 G HN 0.660 nan 8.290 nan 0.000 0.489 328 L N 1.385 122.526 121.223 -0.137 0.000 2.529 328 L HA 0.554 4.894 4.340 -0.000 0.000 0.287 328 L C 0.467 177.241 176.870 -0.160 0.000 1.241 328 L CA 0.593 55.362 54.840 -0.118 0.000 0.857 328 L CB 0.615 42.619 42.059 -0.092 0.000 1.113 328 L HN 0.449 nan 8.230 nan 0.000 0.504 329 M N 5.524 125.034 119.600 -0.151 0.000 2.213 329 M HA 0.350 4.830 4.480 -0.000 0.000 0.243 329 M C -1.118 175.074 176.300 -0.180 0.000 0.979 329 M CA -0.491 54.686 55.300 -0.205 0.000 1.037 329 M CB 0.922 33.337 32.600 -0.308 0.000 2.200 329 M HN 0.626 nan 8.290 nan 0.000 0.465 330 R N 1.433 121.846 120.500 -0.145 0.000 2.541 330 R HA 0.381 4.721 4.340 -0.000 0.000 0.263 330 R C -0.357 175.862 176.300 -0.134 0.000 1.112 330 R CA -0.411 55.657 56.100 -0.053 0.000 1.170 330 R CB 0.557 30.830 30.300 -0.045 0.000 1.167 330 R HN 0.655 nan 8.270 nan 0.000 0.582 331 H N -0.574 118.501 119.070 0.009 0.000 2.512 331 H HA 0.113 4.669 4.556 -0.000 0.000 0.276 331 H C -0.879 174.464 175.328 0.026 0.000 1.126 331 H CA -0.282 55.794 56.048 0.047 0.000 1.060 331 H CB 0.248 30.029 29.762 0.030 0.000 1.646 331 H HN 0.457 nan 8.280 nan 0.000 0.571 332 D N -0.218 120.226 120.400 0.073 0.000 2.502 332 D HA 0.072 4.712 4.640 -0.000 0.000 0.301 332 D C -2.152 174.153 176.300 0.008 0.000 1.202 332 D CA -1.714 52.310 54.000 0.041 0.000 0.878 332 D CB 1.630 42.452 40.800 0.036 0.000 1.062 332 D HN 0.120 nan 8.370 nan 0.000 0.499 333 P HA -0.254 nan 4.420 nan 0.000 0.215 333 P C 1.515 178.849 177.300 0.056 0.000 1.157 333 P CA 1.513 64.626 63.100 0.021 0.000 0.868 333 P CB 0.316 32.020 31.700 0.006 0.000 0.788 334 E N 0.516 120.738 120.200 0.036 0.000 2.114 334 E HA -0.241 4.109 4.350 -0.000 0.000 0.199 334 E C 1.701 178.318 176.600 0.028 0.000 1.008 334 E CA 1.482 57.902 56.400 0.033 0.000 0.810 334 E CB -1.625 28.088 29.700 0.022 0.000 0.739 334 E HN 0.235 nan 8.360 nan 0.000 0.456 335 N N 0.650 119.362 118.700 0.021 0.000 2.135 335 N HA -0.075 4.665 4.740 -0.000 0.000 0.186 335 N C 2.149 177.659 175.510 0.001 0.000 1.027 335 N CA 1.684 54.742 53.050 0.013 0.000 0.849 335 N CB -0.129 38.365 38.487 0.012 0.000 1.002 335 N HN 0.118 nan 8.380 nan 0.000 0.425 336 V N 2.340 122.250 119.914 -0.007 0.000 2.219 336 V HA -0.196 3.924 4.120 -0.000 0.000 0.248 336 V C 1.526 177.609 176.094 -0.018 0.000 1.053 336 V CA 1.170 63.451 62.300 -0.032 0.000 1.009 336 V CB -0.663 31.140 31.823 -0.032 0.000 0.636 336 V HN 0.283 nan 8.190 nan 0.000 0.445 337 L N 1.569 122.822 121.223 0.050 0.000 2.752 337 L HA 0.085 4.424 4.340 -0.000 0.000 0.251 337 L C 0.490 177.354 176.870 -0.011 0.000 1.436 337 L CA 0.779 55.629 54.840 0.016 0.000 1.181 337 L CB -0.935 41.167 42.059 0.072 0.000 1.414 337 L HN 0.497 nan 8.230 nan 0.000 0.448 338 D N -0.502 119.880 120.400 -0.030 0.000 4.009 338 D HA 0.096 4.736 4.640 -0.000 0.000 0.329 338 D C 0.645 176.966 176.300 0.035 0.000 0.558 338 D CA 0.752 54.754 54.000 0.003 0.000 0.776 338 D CB 0.041 40.850 40.800 0.016 0.000 1.651 338 D HN 0.420 nan 8.370 nan 0.000 0.171 339 G N 0.219 109.029 108.800 0.017 0.000 4.241 339 G HA2 -0.130 3.830 3.960 -0.000 0.000 0.193 339 G HA3 -0.130 3.830 3.960 -0.000 0.000 0.193 339 G C -0.820 174.079 174.900 -0.002 0.000 1.789 339 G CA -0.169 45.003 45.100 0.120 0.000 1.025 339 G HN 0.179 nan 8.290 nan 0.000 0.346 340 D N 1.695 122.087 120.400 -0.014 0.000 2.899 340 D HA 0.327 4.967 4.640 -0.000 0.000 0.254 340 D C 1.165 177.341 176.300 -0.207 0.000 1.320 340 D CA 1.015 54.977 54.000 -0.064 0.000 0.929 340 D CB 0.348 41.124 40.800 -0.039 0.000 1.148 340 D HN 0.356 nan 8.370 nan 0.000 0.571 341 L N 1.225 122.258 121.223 -0.317 0.000 3.122 341 L HA 0.015 4.355 4.340 -0.000 0.000 0.296 341 L C 1.636 178.252 176.870 -0.422 0.000 1.040 341 L CA -0.336 54.208 54.840 -0.493 0.000 1.164 341 L CB -0.125 41.326 42.059 -1.014 0.000 1.990 341 L HN 0.276 nan 8.230 nan 0.000 0.579 342 M N 0.682 120.087 119.600 -0.325 0.000 2.507 342 M HA -0.232 4.248 4.480 -0.000 0.000 0.258 342 M C 1.005 177.020 176.300 -0.474 0.000 1.081 342 M CA 1.595 56.656 55.300 -0.399 0.000 1.039 342 M CB -0.969 31.567 32.600 -0.108 0.000 1.386 342 M HN 0.240 nan 8.290 nan 0.000 0.459 343 D N -0.041 120.223 120.400 -0.227 0.000 2.202 343 D HA 0.013 4.653 4.640 -0.000 0.000 0.214 343 D C 2.049 178.303 176.300 -0.076 0.000 0.967 343 D CA 0.855 54.811 54.000 -0.073 0.000 0.871 343 D CB -0.302 40.485 40.800 -0.023 0.000 1.020 343 D HN 0.469 nan 8.370 nan 0.000 0.474 344 L N -0.907 120.233 121.223 -0.137 0.000 2.478 344 L HA 0.224 4.563 4.340 -0.000 0.000 0.223 344 L C 1.961 178.764 176.870 -0.112 0.000 1.140 344 L CA 0.475 55.251 54.840 -0.107 0.000 0.842 344 L CB -0.464 41.512 42.059 -0.139 0.000 0.953 344 L HN -0.076 nan 8.230 nan 0.000 0.452 345 I N -0.502 119.928 120.570 -0.234 0.000 2.233 345 I HA -0.159 4.011 4.170 -0.000 0.000 0.243 345 I C 2.386 178.457 176.117 -0.076 0.000 1.093 345 I CA 1.598 62.756 61.300 -0.236 0.000 1.380 345 I CB -0.370 37.361 38.000 -0.448 0.000 1.067 345 I HN 0.297 nan 8.210 nan 0.000 0.413 346 W N 1.225 122.492 121.300 -0.055 0.000 2.329 346 W HA -0.247 4.413 4.660 -0.000 0.000 0.324 346 W C 2.922 179.418 176.519 -0.039 0.000 1.222 346 W CA 0.600 57.886 57.345 -0.098 0.000 1.270 346 W CB -0.505 28.912 29.460 -0.072 0.000 1.167 346 W HN 0.081 nan 8.180 nan 0.000 0.467 347 A N 1.124 124.108 122.820 0.273 0.000 1.903 347 A HA -0.215 4.105 4.320 -0.000 0.000 0.219 347 A C 2.124 179.808 177.584 0.168 0.000 1.191 347 A CA 2.489 54.637 52.037 0.184 0.000 0.638 347 A CB -1.739 17.333 19.000 0.120 0.000 0.823 347 A HN 0.401 nan 8.150 nan 0.000 0.451 348 G N -0.275 108.598 108.800 0.122 0.000 2.469 348 G HA2 -0.242 3.718 3.960 -0.000 0.000 0.219 348 G HA3 -0.242 3.718 3.960 -0.000 0.000 0.219 348 G C 1.554 176.577 174.900 0.205 0.000 1.150 348 G CA 1.231 46.423 45.100 0.153 0.000 0.763 348 G HN 0.472 nan 8.290 nan 0.000 0.561 349 L N 0.050 121.343 121.223 0.117 0.000 1.961 349 L HA -0.071 4.269 4.340 -0.000 0.000 0.210 349 L C 2.898 179.780 176.870 0.021 0.000 1.072 349 L CA 1.669 56.520 54.840 0.018 0.000 0.749 349 L CB -0.890 41.166 42.059 -0.005 0.000 0.889 349 L HN 0.291 nan 8.230 nan 0.000 0.432 350 E N -0.420 119.817 120.200 0.062 0.000 2.136 350 E HA -0.344 4.006 4.350 -0.000 0.000 0.208 350 E C 1.811 178.467 176.600 0.093 0.000 1.035 350 E CA 2.273 58.712 56.400 0.065 0.000 0.838 350 E CB -0.491 29.285 29.700 0.125 0.000 0.748 350 E HN 0.550 nan 8.360 nan 0.000 0.459 351 W N 2.088 123.383 121.300 -0.007 0.000 2.332 351 W HA -0.204 4.456 4.660 -0.000 0.000 0.321 351 W C 1.920 178.426 176.519 -0.022 0.000 1.219 351 W CA 1.794 59.136 57.345 -0.005 0.000 1.277 351 W CB -0.214 29.247 29.460 0.002 0.000 1.161 351 W HN -0.150 nan 8.180 nan 0.000 0.476 352 K N -0.007 120.246 120.400 -0.246 0.000 1.965 352 K HA -0.151 4.169 4.320 -0.000 0.000 0.220 352 K C 2.230 178.610 176.600 -0.367 0.000 1.046 352 K CA 1.700 57.694 56.287 -0.489 0.000 0.974 352 K CB -1.230 31.134 32.500 -0.227 0.000 0.738 352 K HN 0.135 nan 8.250 nan 0.000 0.444 353 A N 1.433 124.090 122.820 -0.271 0.000 2.159 353 A HA -0.202 4.118 4.320 -0.000 0.000 0.222 353 A C 2.270 179.750 177.584 -0.174 0.000 1.163 353 A CA 2.084 53.980 52.037 -0.235 0.000 0.664 353 A CB -1.422 17.437 19.000 -0.235 0.000 0.803 353 A HN 0.575 nan 8.150 nan 0.000 0.470 354 G N 0.481 109.170 108.800 -0.186 0.000 2.469 354 G HA2 -0.307 3.653 3.960 -0.000 0.000 0.219 354 G HA3 -0.307 3.653 3.960 -0.000 0.000 0.219 354 G C 1.654 176.473 174.900 -0.135 0.000 1.150 354 G CA 1.070 46.087 45.100 -0.139 0.000 0.763 354 G HN 0.712 nan 8.290 nan 0.000 0.561 355 R N 0.724 121.111 120.500 -0.187 0.000 2.127 355 R HA 0.168 4.508 4.340 -0.000 0.000 0.217 355 R C 1.247 177.490 176.300 -0.095 0.000 1.074 355 R CA -0.150 55.866 56.100 -0.140 0.000 0.991 355 R CB -0.583 29.612 30.300 -0.175 0.000 0.895 355 R HN 0.258 nan 8.270 nan 0.000 0.450 356 R N 0.000 120.441 120.500 -0.098 0.000 2.786 356 R HA 0.000 4.340 4.340 -0.000 0.000 0.208 356 R CA 0.000 56.068 56.100 -0.053 0.000 0.921 356 R CB 0.000 30.274 30.300 -0.043 0.000 0.687 356 R HN 0.000 nan 8.270 nan 0.000 0.535