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 1g2v_1_D DATA FIRST_RESID 2 DATA SEQUENCE KRKGIILAGG SGTRLHPATL AISKQLLPVY DKPMIYYPLS TLMLAGIREI DATA SEQUENCE LIISTPQDTP RFQQLLGDGS NWGLDLQYAV QPSPDGLAQA FLIGESFIGN DATA SEQUENCE DLSALVLGDN LYYGHDFHEL LGSASQRQTG ASVFAYHVLD PERYGVVEFD DATA SEQUENCE QGGKAISLEE KPLEPKSNYA VTGLYFYDQQ VVDIARDLKP SPRGELEITD DATA SEQUENCE VNRAYLERGQ LSVEIMGRGY AWLDTGTHDS LLEAGQFIAT LENRQGLKVA DATA SEQUENCE CPEEIAYRQK WIDAAQLEKL AAPLAKNGYG QYLKRLLTET VY VARS RESID RESNAME ATOMNAME SS_SHIFT SHIFT RC_SHIFT HM_SHIFT EF_SHIFT SIGMA FORMAT %4d %4s %4s %9.3f %9.3f %9.3f %9.3f %9.3f %9.3f 2 K HA 0.000 nan 4.320 nan 0.000 0.191 2 K C 0.000 176.608 176.600 0.013 0.000 0.988 2 K CA 0.000 56.288 56.287 0.002 0.000 0.838 2 K CB 0.000 32.489 32.500 -0.019 0.000 1.064 3 R N 3.309 123.827 120.500 0.030 0.000 2.562 3 R HA 0.518 4.858 4.340 -0.000 0.000 0.298 3 R C -0.700 175.621 176.300 0.035 0.000 0.961 3 R CA -0.821 55.310 56.100 0.052 0.000 0.881 3 R CB 1.110 31.471 30.300 0.103 0.000 1.159 3 R HN 0.575 nan 8.270 nan 0.000 0.450 4 K N 1.346 121.769 120.400 0.038 0.000 2.118 4 K HA 0.463 4.783 4.320 -0.000 0.000 0.254 4 K C -0.241 176.457 176.600 0.162 0.000 0.961 4 K CA -0.799 55.525 56.287 0.061 0.000 0.876 4 K CB 2.082 34.538 32.500 -0.073 0.000 1.077 4 K HN 0.744 nan 8.250 nan 0.000 0.440 5 G N 1.327 110.257 108.800 0.217 0.000 2.498 5 G HA2 0.706 4.666 3.960 -0.000 0.000 0.312 5 G HA3 0.706 4.666 3.960 -0.000 0.000 0.312 5 G C -0.879 174.074 174.900 0.087 0.000 1.230 5 G CA -0.686 44.492 45.100 0.130 0.000 0.968 5 G HN 0.449 nan 8.290 nan 0.000 0.481 6 I N 0.692 121.257 120.570 -0.008 0.000 2.582 6 I HA 0.411 4.581 4.170 -0.000 0.000 0.292 6 I C -0.772 175.284 176.117 -0.102 0.000 1.066 6 I CA -0.700 60.523 61.300 -0.129 0.000 1.053 6 I CB 2.499 40.394 38.000 -0.174 0.000 1.241 6 I HN 0.173 nan 8.210 nan 0.000 0.421 7 I N 6.317 126.802 120.570 -0.142 0.000 2.382 7 I HA 0.253 4.423 4.170 -0.000 0.000 0.286 7 I C -0.800 175.237 176.117 -0.133 0.000 1.002 7 I CA -0.763 60.483 61.300 -0.090 0.000 1.135 7 I CB 2.065 40.015 38.000 -0.083 0.000 1.288 7 I HN 0.310 nan 8.210 nan 0.000 0.448 8 L N 7.384 128.562 121.223 -0.076 0.000 2.302 8 L HA 0.498 4.838 4.340 -0.000 0.000 0.285 8 L C 0.453 177.282 176.870 -0.068 0.000 1.090 8 L CA 0.227 55.019 54.840 -0.081 0.000 0.866 8 L CB 0.681 42.719 42.059 -0.035 0.000 1.244 8 L HN 0.694 nan 8.230 nan 0.000 0.435 9 A N 4.011 126.745 122.820 -0.144 0.000 3.113 9 A HA 0.735 5.055 4.320 -0.000 0.000 0.307 9 A C 0.523 178.060 177.584 -0.077 0.000 1.025 9 A CA 0.126 52.072 52.037 -0.152 0.000 1.012 9 A CB -0.354 18.413 19.000 -0.390 0.000 1.085 9 A HN 0.743 nan 8.150 nan 0.000 0.519 10 G N -0.421 108.370 108.800 -0.015 0.000 3.099 10 G HA2 0.751 4.711 3.960 -0.000 0.000 0.151 10 G HA3 0.751 4.711 3.960 -0.000 0.000 0.151 10 G C 0.516 175.445 174.900 0.048 0.000 1.265 10 G CA -0.306 44.813 45.100 0.032 0.000 0.981 10 G HN 1.820 nan 8.290 nan 0.000 0.601 11 G N -2.013 106.810 108.800 0.038 0.000 2.663 11 G HA2 0.236 4.195 3.960 -0.000 0.000 0.686 11 G HA3 0.236 4.195 3.960 -0.000 0.000 0.686 11 G C 0.701 175.620 174.900 0.032 0.000 1.246 11 G CA 0.661 45.779 45.100 0.029 0.000 0.795 11 G HN 1.593 nan 8.290 nan 0.000 0.627 12 S N -0.373 115.335 115.700 0.014 0.000 2.478 12 S HA 0.386 4.856 4.470 -0.000 0.000 0.222 12 S C 2.244 176.820 174.600 -0.041 0.000 1.008 12 S CA 1.272 59.481 58.200 0.014 0.000 0.928 12 S CB 0.358 63.572 63.200 0.023 0.000 0.781 12 S HN 2.823 nan 8.310 nan 0.000 0.518 13 G N 2.113 110.871 108.800 -0.070 0.000 2.225 13 G HA2 -0.355 3.605 3.960 -0.000 0.000 0.267 13 G HA3 -0.355 3.605 3.960 -0.000 0.000 0.267 13 G C 0.839 175.543 174.900 -0.327 0.000 1.024 13 G CA 1.031 46.050 45.100 -0.135 0.000 0.784 13 G HN 0.856 nan 8.290 nan 0.000 0.507 14 T N -1.980 112.364 114.554 -0.350 0.000 2.759 14 T HA -0.126 4.223 4.350 -0.000 0.000 0.269 14 T C 2.186 176.692 174.700 -0.325 0.000 1.042 14 T CA 1.551 63.355 62.100 -0.492 0.000 1.140 14 T CB -0.265 68.508 68.868 -0.159 0.000 0.864 14 T HN 0.588 nan 8.240 nan 0.000 0.455 15 R N 0.950 121.316 120.500 -0.223 0.000 2.159 15 R HA 0.084 4.423 4.340 -0.000 0.000 0.237 15 R C 2.228 178.335 176.300 -0.322 0.000 1.131 15 R CA 1.254 57.226 56.100 -0.214 0.000 0.982 15 R CB -0.617 29.563 30.300 -0.201 0.000 0.868 15 R HN 0.443 nan 8.270 nan 0.000 0.453 16 L N -0.261 120.786 121.223 -0.292 0.000 2.591 16 L HA 0.063 4.403 4.340 -0.000 0.000 0.228 16 L C 0.433 177.399 176.870 0.160 0.000 1.133 16 L CA -0.106 54.632 54.840 -0.170 0.000 0.880 16 L CB -0.557 41.479 42.059 -0.039 0.000 1.033 16 L HN 0.243 nan 8.230 nan 0.000 0.450 17 H N 1.648 120.765 119.070 0.078 0.000 2.998 17 H HA -0.027 4.529 4.556 -0.000 0.000 0.353 17 H C -1.223 174.205 175.328 0.165 0.000 1.099 17 H CA -1.033 55.077 56.048 0.103 0.000 1.393 17 H CB 0.600 30.393 29.762 0.053 0.000 1.343 17 H HN -0.022 nan 8.280 nan 0.000 0.609 18 P HA 0.044 nan 4.420 nan 0.000 0.255 18 P C 0.843 178.255 177.300 0.187 0.000 1.248 18 P CA 0.530 63.737 63.100 0.180 0.000 0.807 18 P CB 0.172 31.895 31.700 0.039 0.000 1.150 19 A N 1.199 124.132 122.820 0.188 0.000 1.948 19 A HA -0.168 4.152 4.320 -0.000 0.000 0.220 19 A C 1.890 179.559 177.584 0.142 0.000 1.177 19 A CA 2.420 54.533 52.037 0.127 0.000 0.636 19 A CB -1.788 17.284 19.000 0.121 0.000 0.815 19 A HN 0.375 nan 8.150 nan 0.000 0.449 20 T N -2.130 112.554 114.554 0.216 0.000 3.278 20 T HA 0.457 4.807 4.350 -0.000 0.000 0.251 20 T C 1.142 175.979 174.700 0.228 0.000 1.039 20 T CA 0.071 62.274 62.100 0.171 0.000 0.935 20 T CB -0.071 68.845 68.868 0.080 0.000 1.034 20 T HN 0.308 nan 8.240 nan 0.000 0.575 21 L N 0.039 121.384 121.223 0.202 0.000 2.307 21 L HA 0.299 4.639 4.340 -0.000 0.000 0.211 21 L C 2.859 179.756 176.870 0.045 0.000 1.099 21 L CA 0.693 55.585 54.840 0.086 0.000 0.816 21 L CB -0.346 41.681 42.059 -0.054 0.000 0.952 21 L HN 0.398 nan 8.230 nan 0.000 0.455 22 A N -0.571 122.272 122.820 0.040 0.000 2.119 22 A HA 0.217 4.536 4.320 -0.000 0.000 0.216 22 A C 0.850 178.440 177.584 0.010 0.000 1.152 22 A CA 0.675 52.720 52.037 0.013 0.000 0.708 22 A CB 0.144 19.147 19.000 0.005 0.000 0.805 22 A HN 0.343 nan 8.150 nan 0.000 0.460 23 I N -3.483 117.105 120.570 0.029 0.000 2.352 23 I HA 0.075 4.245 4.170 -0.000 0.000 0.315 23 I C -0.494 175.646 176.117 0.038 0.000 2.337 23 I CA -0.372 60.938 61.300 0.015 0.000 0.932 23 I CB 1.014 38.997 38.000 -0.027 0.000 1.697 23 I HN -0.045 nan 8.210 nan 0.000 0.685 24 S N 3.013 118.732 115.700 0.033 0.000 2.537 24 S HA 0.103 4.572 4.470 -0.000 0.000 0.286 24 S C 1.147 175.801 174.600 0.090 0.000 1.299 24 S CA 0.728 58.979 58.200 0.085 0.000 1.067 24 S CB 0.912 64.206 63.200 0.157 0.000 0.864 24 S HN 0.742 nan 8.310 nan 0.000 0.494 25 K N 3.241 123.697 120.400 0.093 0.000 2.077 25 K HA -0.263 4.057 4.320 -0.000 0.000 0.213 25 K C 1.652 178.325 176.600 0.122 0.000 1.051 25 K CA 2.331 58.668 56.287 0.083 0.000 0.929 25 K CB -0.258 32.278 32.500 0.060 0.000 0.715 25 K HN 0.731 nan 8.250 nan 0.000 0.451 26 Q N 0.203 120.128 119.800 0.209 0.000 2.500 26 Q HA 0.023 4.362 4.340 -0.000 0.000 0.213 26 Q C 1.480 177.658 176.000 0.298 0.000 0.974 26 Q CA 0.686 56.666 55.803 0.294 0.000 0.918 26 Q CB 0.168 29.132 28.738 0.376 0.000 0.980 26 Q HN 0.396 nan 8.270 nan 0.000 0.505 27 L N -0.682 120.623 121.223 0.137 0.000 2.513 27 L HA 0.173 4.512 4.340 -0.000 0.000 0.222 27 L C 0.208 177.078 176.870 -0.000 0.000 1.096 27 L CA -0.201 54.639 54.840 -0.001 0.000 0.857 27 L CB 0.077 42.030 42.059 -0.178 0.000 1.026 27 L HN 0.163 nan 8.230 nan 0.000 0.469 28 L N 0.904 122.144 121.223 0.030 0.000 2.467 28 L HA 0.142 4.482 4.340 -0.000 0.000 0.270 28 L C -2.147 174.738 176.870 0.025 0.000 1.205 28 L CA -1.761 53.090 54.840 0.019 0.000 0.828 28 L CB -0.376 41.703 42.059 0.034 0.000 1.101 28 L HN -0.202 nan 8.230 nan 0.000 0.479 29 P HA 0.139 nan 4.420 nan 0.000 0.279 29 P C -0.916 176.420 177.300 0.059 0.000 1.239 29 P CA -0.300 62.808 63.100 0.013 0.000 0.789 29 P CB 1.065 32.750 31.700 -0.025 0.000 0.933 30 V N 5.734 125.724 119.914 0.127 0.000 2.294 30 V HA 0.151 4.271 4.120 -0.000 0.000 0.272 30 V C 0.573 176.808 176.094 0.235 0.000 1.027 30 V CA 0.047 62.413 62.300 0.110 0.000 0.823 30 V CB -0.743 31.041 31.823 -0.065 0.000 1.030 30 V HN 0.681 nan 8.190 nan 0.000 0.457 31 Y N 4.663 124.982 120.300 0.032 0.000 2.745 31 Y HA -0.435 4.115 4.550 -0.000 0.000 0.477 31 Y C 1.359 177.278 175.900 0.032 0.000 1.099 31 Y CA 2.589 60.708 58.100 0.031 0.000 2.900 31 Y CB -0.955 37.530 38.460 0.042 0.000 1.080 31 Y HN 0.762 nan 8.280 nan 0.000 0.599 32 D N 0.905 121.218 120.400 -0.145 0.000 2.520 32 D HA 0.220 4.859 4.640 -0.000 0.000 0.223 32 D C -0.079 176.125 176.300 -0.161 0.000 1.186 32 D CA 0.513 54.310 54.000 -0.338 0.000 0.821 32 D CB 0.143 40.644 40.800 -0.498 0.000 1.072 32 D HN 0.699 nan 8.370 nan 0.000 0.518 33 K N -0.731 119.622 120.400 -0.079 0.000 2.536 33 K HA 0.604 4.924 4.320 -0.000 0.000 0.269 33 K C -3.406 173.045 176.600 -0.248 0.000 0.965 33 K CA -2.025 54.097 56.287 -0.276 0.000 0.860 33 K CB 1.591 33.916 32.500 -0.293 0.000 1.423 33 K HN -0.350 nan 8.250 nan 0.000 0.438 34 P HA -0.002 nan 4.420 nan 0.000 0.268 34 P C 0.711 178.018 177.300 0.012 0.000 1.204 34 P CA -0.236 62.732 63.100 -0.220 0.000 0.768 34 P CB 0.514 32.044 31.700 -0.284 0.000 0.842 35 M N 3.909 123.615 119.600 0.177 0.000 2.103 35 M HA -0.239 4.241 4.480 -0.000 0.000 0.255 35 M C 1.615 178.164 176.300 0.414 0.000 1.074 35 M CA 2.048 57.544 55.300 0.327 0.000 1.090 35 M CB -0.494 32.226 32.600 0.200 0.000 1.325 35 M HN 0.339 nan 8.290 nan 0.000 0.403 36 I N -0.262 120.523 120.570 0.359 0.000 2.916 36 I HA -0.287 3.883 4.170 -0.000 0.000 0.267 36 I C 1.327 177.718 176.117 0.456 0.000 1.263 36 I CA 0.827 62.360 61.300 0.389 0.000 1.471 36 I CB -0.159 38.094 38.000 0.421 0.000 1.089 36 I HN 0.318 nan 8.210 nan 0.000 0.468 37 Y N 0.287 120.697 120.300 0.183 0.000 2.207 37 Y HA -0.269 4.281 4.550 -0.001 0.000 0.287 37 Y C 2.165 178.065 175.900 0.001 0.000 1.156 37 Y CA 1.241 59.372 58.100 0.052 0.000 1.182 37 Y CB -1.356 37.029 38.460 -0.125 0.000 0.979 37 Y HN 0.246 nan 8.280 nan 0.000 0.521 38 Y N -0.184 120.318 120.300 0.336 0.000 2.049 38 Y HA -0.205 4.344 4.550 -0.000 0.000 0.277 38 Y C -0.045 176.013 175.900 0.263 0.000 1.143 38 Y CA 1.794 60.053 58.100 0.264 0.000 1.115 38 Y CB -2.206 36.375 38.460 0.201 0.000 0.975 38 Y HN 0.088 nan 8.280 nan 0.000 0.487 39 P HA -0.171 nan 4.420 nan 0.000 0.216 39 P C 1.829 179.275 177.300 0.242 0.000 1.150 39 P CA 1.195 64.483 63.100 0.312 0.000 0.837 39 P CB -0.119 31.734 31.700 0.256 0.000 0.786 40 L N 0.889 122.246 121.223 0.224 0.000 1.990 40 L HA -0.204 4.136 4.340 -0.000 0.000 0.213 40 L C 2.437 179.413 176.870 0.176 0.000 1.072 40 L CA 2.748 57.698 54.840 0.183 0.000 0.755 40 L CB -1.713 40.463 42.059 0.195 0.000 0.889 40 L HN 0.049 nan 8.230 nan 0.000 0.432 41 S N -2.887 112.913 115.700 0.168 0.000 2.419 41 S HA -0.177 4.293 4.470 -0.000 0.000 0.233 41 S C 1.862 176.586 174.600 0.207 0.000 1.016 41 S CA 1.428 59.719 58.200 0.151 0.000 0.974 41 S CB -1.070 62.204 63.200 0.123 0.000 0.786 41 S HN 0.557 nan 8.310 nan 0.000 0.492 42 T N 3.203 117.917 114.554 0.268 0.000 2.674 42 T HA 0.077 4.426 4.350 -0.000 0.000 0.265 42 T C 1.711 176.508 174.700 0.160 0.000 1.039 42 T CA 1.649 63.922 62.100 0.287 0.000 1.150 42 T CB -0.577 68.507 68.868 0.359 0.000 0.864 42 T HN 0.358 nan 8.240 nan 0.000 0.427 43 L N 0.365 121.673 121.223 0.142 0.000 2.042 43 L HA -0.131 4.209 4.340 -0.000 0.000 0.210 43 L C 2.720 179.685 176.870 0.158 0.000 1.076 43 L CA 1.406 56.311 54.840 0.108 0.000 0.749 43 L CB -0.661 41.455 42.059 0.095 0.000 0.893 43 L HN 0.321 nan 8.230 nan 0.000 0.432 44 M N -0.437 119.282 119.600 0.198 0.000 2.108 44 M HA -0.228 4.252 4.480 -0.000 0.000 0.261 44 M C 2.185 178.569 176.300 0.141 0.000 1.066 44 M CA 1.793 57.268 55.300 0.292 0.000 1.107 44 M CB -0.469 32.296 32.600 0.275 0.000 1.356 44 M HN 0.219 nan 8.290 nan 0.000 0.406 45 L N -0.282 120.976 121.223 0.059 0.000 2.465 45 L HA -0.030 4.310 4.340 -0.000 0.000 0.224 45 L C 2.294 179.096 176.870 -0.114 0.000 1.145 45 L CA 0.251 55.060 54.840 -0.051 0.000 0.834 45 L CB -0.598 41.471 42.059 0.017 0.000 0.944 45 L HN 0.239 nan 8.230 nan 0.000 0.451 46 A N -0.217 122.595 122.820 -0.014 0.000 2.278 46 A HA 0.374 4.694 4.320 -0.000 0.000 0.212 46 A C 1.719 179.339 177.584 0.060 0.000 1.213 46 A CA 0.551 52.593 52.037 0.009 0.000 0.840 46 A CB -0.560 18.535 19.000 0.158 0.000 0.866 46 A HN 0.462 nan 8.150 nan 0.000 0.489 47 G N -0.656 108.207 108.800 0.105 0.000 2.143 47 G HA2 -0.234 3.726 3.960 -0.000 0.000 0.248 47 G HA3 -0.234 3.726 3.960 -0.000 0.000 0.248 47 G C 0.034 175.121 174.900 0.311 0.000 0.991 47 G CA 0.378 45.635 45.100 0.260 0.000 0.689 47 G HN 0.498 nan 8.290 nan 0.000 0.522 48 I N -0.307 120.415 120.570 0.254 0.000 2.342 48 I HA 0.406 4.576 4.170 -0.000 0.000 0.291 48 I C 1.475 177.610 176.117 0.029 0.000 1.010 48 I CA -0.620 60.752 61.300 0.120 0.000 1.308 48 I CB 1.310 39.370 38.000 0.101 0.000 1.400 48 I HN 0.063 nan 8.210 nan 0.000 0.488 49 R N 3.239 123.630 120.500 -0.182 0.000 2.419 49 R HA 0.190 4.529 4.340 -0.000 0.000 0.235 49 R C 0.072 176.266 176.300 -0.177 0.000 0.899 49 R CA -0.035 55.827 56.100 -0.397 0.000 1.048 49 R CB 0.694 30.532 30.300 -0.770 0.000 1.182 49 R HN 0.553 nan 8.270 nan 0.000 0.544 50 E N 1.555 121.715 120.200 -0.068 0.000 2.155 50 E HA 0.418 4.768 4.350 -0.000 0.000 0.264 50 E C -1.230 175.486 176.600 0.194 0.000 0.886 50 E CA -0.325 56.092 56.400 0.027 0.000 0.752 50 E CB 1.011 30.695 29.700 -0.026 0.000 1.133 50 E HN 0.028 nan 8.360 nan 0.000 0.414 51 I N 4.473 125.154 120.570 0.184 0.000 2.656 51 I HA 0.245 4.414 4.170 -0.000 0.000 0.292 51 I C -1.280 174.671 176.117 -0.276 0.000 1.144 51 I CA -1.042 60.293 61.300 0.059 0.000 1.038 51 I CB 1.939 39.928 38.000 -0.018 0.000 1.244 51 I HN 0.449 nan 8.210 nan 0.000 0.420 52 L N 7.373 128.208 121.223 -0.647 0.000 2.282 52 L HA 0.586 4.925 4.340 -0.000 0.000 0.288 52 L C -0.859 175.679 176.870 -0.552 0.000 1.033 52 L CA 0.036 54.314 54.840 -0.938 0.000 0.807 52 L CB 1.043 42.136 42.059 -1.611 0.000 1.209 52 L HN 0.382 nan 8.230 nan 0.000 0.423 53 I N 6.372 126.621 120.570 -0.535 0.000 2.339 53 I HA 0.374 4.544 4.170 -0.000 0.000 0.290 53 I C -0.461 175.488 176.117 -0.279 0.000 0.994 53 I CA -0.311 60.748 61.300 -0.402 0.000 1.191 53 I CB 1.244 38.977 38.000 -0.445 0.000 1.343 53 I HN 0.503 nan 8.210 nan 0.000 0.458 54 I N 5.395 125.816 120.570 -0.248 0.000 2.412 54 I HA 0.481 4.651 4.170 -0.000 0.000 0.296 54 I C 0.193 176.214 176.117 -0.161 0.000 0.987 54 I CA -0.022 61.178 61.300 -0.166 0.000 1.180 54 I CB 1.826 39.732 38.000 -0.158 0.000 1.340 54 I HN 0.505 nan 8.210 nan 0.000 0.455 55 S N 2.198 117.858 115.700 -0.068 0.000 2.752 55 S HA 0.469 4.939 4.470 -0.000 0.000 0.284 55 S C -0.473 174.160 174.600 0.054 0.000 1.189 55 S CA -0.568 57.625 58.200 -0.011 0.000 0.835 55 S CB 1.586 64.820 63.200 0.056 0.000 1.192 55 S HN 0.766 nan 8.310 nan 0.000 0.506 56 T N 1.117 115.728 114.554 0.094 0.000 2.855 56 T HA 0.247 4.597 4.350 -0.000 0.000 0.322 56 T C -2.018 172.730 174.700 0.080 0.000 1.088 56 T CA -0.561 61.586 62.100 0.078 0.000 1.104 56 T CB -0.107 68.812 68.868 0.084 0.000 0.996 56 T HN 0.339 nan 8.240 nan 0.000 0.549 57 P HA -0.168 nan 4.420 nan 0.000 0.215 57 P C 1.962 179.289 177.300 0.046 0.000 1.153 57 P CA 1.169 64.296 63.100 0.045 0.000 0.853 57 P CB -0.062 31.656 31.700 0.030 0.000 0.788 58 Q N -0.575 119.253 119.800 0.046 0.000 2.172 58 Q HA -0.130 4.210 4.340 -0.000 0.000 0.200 58 Q C 1.026 177.051 176.000 0.041 0.000 0.964 58 Q CA 1.537 57.359 55.803 0.033 0.000 0.855 58 Q CB -1.178 27.576 28.738 0.025 0.000 0.918 58 Q HN 0.269 nan 8.270 nan 0.000 0.444 59 D N 0.728 121.184 120.400 0.093 0.000 2.305 59 D HA 0.011 4.651 4.640 -0.000 0.000 0.206 59 D C 1.490 177.914 176.300 0.207 0.000 0.974 59 D CA 0.771 54.840 54.000 0.116 0.000 0.871 59 D CB 0.117 41.050 40.800 0.222 0.000 0.947 59 D HN 0.213 nan 8.370 nan 0.000 0.516 60 T N 1.684 116.362 114.554 0.207 0.000 2.635 60 T HA -0.134 4.216 4.350 -0.000 0.000 0.267 60 T C -0.889 173.834 174.700 0.037 0.000 1.040 60 T CA 1.408 63.627 62.100 0.198 0.000 1.156 60 T CB -0.870 68.058 68.868 0.100 0.000 0.863 60 T HN 0.161 nan 8.240 nan 0.000 0.430 61 P HA -0.035 nan 4.420 nan 0.000 0.218 61 P C 1.367 178.598 177.300 -0.115 0.000 1.148 61 P CA 1.166 64.202 63.100 -0.107 0.000 0.822 61 P CB -0.053 31.604 31.700 -0.071 0.000 0.784 62 R N -1.905 118.531 120.500 -0.106 0.000 2.115 62 R HA 0.003 4.343 4.340 -0.000 0.000 0.226 62 R C 2.178 178.347 176.300 -0.217 0.000 1.100 62 R CA 1.012 56.999 56.100 -0.188 0.000 0.980 62 R CB -0.779 29.359 30.300 -0.271 0.000 0.875 62 R HN 0.227 nan 8.270 nan 0.000 0.445 63 F N 1.347 121.293 119.950 -0.006 0.000 2.171 63 F HA -0.205 4.322 4.527 -0.001 0.000 0.300 63 F C 2.873 178.683 175.800 0.017 0.000 1.090 63 F CA 1.330 59.382 58.000 0.086 0.000 1.293 63 F CB -0.298 38.840 39.000 0.231 0.000 1.013 63 F HN 0.077 nan 8.300 nan 0.000 0.486 64 Q N 0.346 120.060 119.800 -0.144 0.000 2.084 64 Q HA -0.281 4.059 4.340 -0.000 0.000 0.202 64 Q C 2.227 178.156 176.000 -0.118 0.000 0.978 64 Q CA 1.631 57.189 55.803 -0.407 0.000 0.844 64 Q CB -0.209 28.129 28.738 -0.666 0.000 0.898 64 Q HN 0.312 nan 8.270 nan 0.000 0.426 65 Q N 0.346 120.082 119.800 -0.106 0.000 2.234 65 Q HA -0.157 4.183 4.340 -0.000 0.000 0.206 65 Q C 1.795 177.779 176.000 -0.027 0.000 0.980 65 Q CA 1.265 57.027 55.803 -0.068 0.000 0.869 65 Q CB -0.148 28.544 28.738 -0.077 0.000 0.912 65 Q HN 0.419 nan 8.270 nan 0.000 0.436 66 L N -1.594 119.636 121.223 0.012 0.000 2.253 66 L HA 0.183 4.522 4.340 -0.000 0.000 0.205 66 L C 1.341 178.255 176.870 0.072 0.000 1.078 66 L CA 1.274 56.152 54.840 0.063 0.000 0.805 66 L CB 0.105 42.223 42.059 0.098 0.000 0.963 66 L HN 0.264 nan 8.230 nan 0.000 0.459 67 L N -0.850 120.426 121.223 0.088 0.000 2.638 67 L HA 0.424 4.764 4.340 -0.000 0.000 0.232 67 L C 1.489 178.282 176.870 -0.128 0.000 1.099 67 L CA 0.186 54.997 54.840 -0.049 0.000 0.883 67 L CB -0.622 41.512 42.059 0.125 0.000 1.136 67 L HN 0.435 nan 8.230 nan 0.000 0.492 68 G N 2.353 111.143 108.800 -0.017 0.000 2.602 68 G HA2 -0.427 3.532 3.960 -0.000 0.000 0.306 68 G HA3 -0.427 3.532 3.960 -0.000 0.000 0.306 68 G C 0.355 175.298 174.900 0.071 0.000 1.301 68 G CA 0.688 45.779 45.100 -0.015 0.000 0.974 68 G HN 0.540 nan 8.290 nan 0.000 0.547 69 D N 0.105 120.507 120.400 0.003 0.000 2.349 69 D HA 0.391 5.031 4.640 -0.000 0.000 0.214 69 D C 1.801 178.074 176.300 -0.045 0.000 1.063 69 D CA 1.220 55.239 54.000 0.031 0.000 0.847 69 D CB -0.127 40.691 40.800 0.029 0.000 0.933 69 D HN 2.145 nan 8.370 nan 0.000 0.513 70 G N 0.394 109.111 108.800 -0.138 0.000 2.217 70 G HA2 -0.392 3.568 3.960 -0.000 0.000 0.246 70 G HA3 -0.392 3.568 3.960 -0.000 0.000 0.246 70 G C 1.374 176.221 174.900 -0.089 0.000 0.990 70 G CA 0.850 45.852 45.100 -0.163 0.000 0.627 70 G HN 0.625 nan 8.290 nan 0.000 0.522 71 S N 0.933 116.595 115.700 -0.064 0.000 2.400 71 S HA -0.172 4.298 4.470 -0.000 0.000 0.232 71 S C 1.874 176.491 174.600 0.028 0.000 1.025 71 S CA 1.716 59.911 58.200 -0.009 0.000 0.993 71 S CB -0.359 62.836 63.200 -0.008 0.000 0.808 71 S HN 0.494 nan 8.310 nan 0.000 0.478 72 N N 0.255 118.935 118.700 -0.034 0.000 2.453 72 N HA -0.021 4.719 4.740 -0.000 0.000 0.183 72 N C 0.111 175.821 175.510 0.334 0.000 1.041 72 N CA 0.831 53.920 53.050 0.064 0.000 0.900 72 N CB -0.303 38.168 38.487 -0.027 0.000 0.961 72 N HN 0.639 nan 8.380 nan 0.000 0.443 73 W N -0.156 121.195 121.300 0.084 0.000 2.966 73 W HA 0.467 5.128 4.660 0.001 0.000 0.406 73 W C 1.086 177.703 176.519 0.163 0.000 1.027 73 W CA -0.607 56.809 57.345 0.119 0.000 1.930 73 W CB -0.782 28.738 29.460 0.099 0.000 1.144 73 W HN 0.037 nan 8.180 nan 0.000 0.626 74 G N 1.141 110.121 108.800 0.299 0.000 2.168 74 G HA2 -0.315 3.645 3.960 -0.000 0.000 0.257 74 G HA3 -0.315 3.645 3.960 -0.000 0.000 0.257 74 G C 0.142 175.066 174.900 0.040 0.000 0.997 74 G CA 0.448 45.658 45.100 0.183 0.000 0.708 74 G HN 0.216 nan 8.290 nan 0.000 0.520 75 L N -0.755 120.519 121.223 0.085 0.000 2.416 75 L HA 0.709 5.048 4.340 -0.000 0.000 0.263 75 L C 0.001 176.844 176.870 -0.044 0.000 1.065 75 L CA -0.953 53.880 54.840 -0.013 0.000 0.798 75 L CB 1.164 43.279 42.059 0.095 0.000 1.267 75 L HN 0.084 nan 8.230 nan 0.000 0.467 76 D N 1.365 121.731 120.400 -0.056 0.000 2.408 76 D HA 0.384 5.024 4.640 -0.000 0.000 0.261 76 D C -1.068 175.221 176.300 -0.018 0.000 1.190 76 D CA -0.245 53.736 54.000 -0.031 0.000 0.910 76 D CB 0.522 41.303 40.800 -0.031 0.000 1.097 76 D HN 0.243 nan 8.370 nan 0.000 0.522 77 L N 2.381 123.574 121.223 -0.050 0.000 2.307 77 L HA 0.498 4.838 4.340 -0.000 0.000 0.282 77 L C 0.595 177.362 176.870 -0.172 0.000 1.051 77 L CA -0.598 54.154 54.840 -0.148 0.000 0.804 77 L CB 1.541 43.477 42.059 -0.205 0.000 1.197 77 L HN 0.243 nan 8.230 nan 0.000 0.431 78 Q N 1.344 120.957 119.800 -0.310 0.000 2.528 78 Q HA 0.566 4.906 4.340 -0.000 0.000 0.289 78 Q C -1.810 173.856 176.000 -0.556 0.000 1.091 78 Q CA -0.823 54.830 55.803 -0.251 0.000 0.797 78 Q CB 3.017 31.716 28.738 -0.065 0.000 1.466 78 Q HN 0.354 nan 8.270 nan 0.000 0.436 79 Y N -0.597 119.646 120.300 -0.095 0.000 2.499 79 Y HA 0.806 5.356 4.550 0.000 0.000 0.347 79 Y C -0.420 175.423 175.900 -0.096 0.000 0.987 79 Y CA -0.785 57.256 58.100 -0.100 0.000 1.044 79 Y CB 2.394 40.830 38.460 -0.039 0.000 1.245 79 Y HN 0.673 nan 8.280 nan 0.000 0.461 80 A N 1.040 123.882 122.820 0.037 0.000 2.606 80 A HA 0.819 5.139 4.320 -0.000 0.000 0.293 80 A C -1.912 175.678 177.584 0.009 0.000 1.082 80 A CA -0.729 51.310 52.037 0.004 0.000 0.685 80 A CB 1.131 20.092 19.000 -0.065 0.000 1.284 80 A HN 0.448 nan 8.150 nan 0.000 0.408 81 V N 0.999 120.920 119.914 0.012 0.000 2.630 81 V HA 0.571 4.691 4.120 -0.000 0.000 0.305 81 V C 0.090 176.184 176.094 -0.000 0.000 1.046 81 V CA -0.406 61.904 62.300 0.016 0.000 0.934 81 V CB 1.631 33.469 31.823 0.025 0.000 1.003 81 V HN 0.900 nan 8.190 nan 0.000 0.451 82 Q N 4.895 124.696 119.800 0.002 0.000 2.413 82 Q HA 0.348 4.688 4.340 -0.000 0.000 0.258 82 Q C -2.051 173.955 176.000 0.010 0.000 1.037 82 Q CA -1.738 54.064 55.803 -0.003 0.000 0.764 82 Q CB 2.102 30.832 28.738 -0.013 0.000 1.217 82 Q HN 0.441 nan 8.270 nan 0.000 0.490 83 P HA -0.129 nan 4.420 nan 0.000 0.218 83 P C -0.292 177.018 177.300 0.017 0.000 1.146 83 P CA 0.991 64.099 63.100 0.015 0.000 0.820 83 P CB 0.330 32.037 31.700 0.012 0.000 0.778 84 S N -2.862 112.846 115.700 0.014 0.000 2.547 84 S HA 0.445 4.915 4.470 -0.000 0.000 0.270 84 S C -2.979 171.629 174.600 0.013 0.000 1.150 84 S CA -1.414 56.795 58.200 0.016 0.000 0.850 84 S CB 1.099 64.308 63.200 0.015 0.000 1.118 84 S HN -0.284 nan 8.310 nan 0.000 0.461 85 P HA 0.350 nan 4.420 nan 0.000 0.225 85 P C -0.674 176.634 177.300 0.012 0.000 1.813 85 P CA -0.117 62.991 63.100 0.014 0.000 1.013 85 P CB -0.233 31.477 31.700 0.016 0.000 1.961 86 D N 1.149 121.555 120.400 0.010 0.000 2.325 86 D HA 0.293 4.933 4.640 -0.000 0.000 0.225 86 D C 1.076 177.383 176.300 0.012 0.000 1.096 86 D CA 0.601 54.607 54.000 0.011 0.000 0.844 86 D CB 0.265 41.070 40.800 0.009 0.000 0.925 86 D HN 0.343 nan 8.370 nan 0.000 0.513 87 G N -0.176 108.632 108.800 0.014 0.000 2.351 87 G HA2 -0.095 3.865 3.960 -0.000 0.000 0.472 87 G HA3 -0.095 3.865 3.960 -0.000 0.000 0.472 87 G C 0.411 175.320 174.900 0.016 0.000 1.570 87 G CA -0.889 44.222 45.100 0.019 0.000 0.921 87 G HN 0.097 nan 8.290 nan 0.000 0.674 88 L N 1.029 122.268 121.223 0.026 0.000 2.191 88 L HA 0.015 4.355 4.340 -0.000 0.000 0.212 88 L C 3.107 179.982 176.870 0.008 0.000 1.103 88 L CA 1.808 56.659 54.840 0.018 0.000 0.769 88 L CB -0.466 41.617 42.059 0.041 0.000 0.908 88 L HN 0.811 nan 8.230 nan 0.000 0.438 89 A N -0.485 122.358 122.820 0.038 0.000 2.067 89 A HA -0.198 4.122 4.320 -0.000 0.000 0.219 89 A C 2.244 179.874 177.584 0.077 0.000 1.158 89 A CA 1.062 53.161 52.037 0.103 0.000 0.661 89 A CB -0.369 18.672 19.000 0.068 0.000 0.801 89 A HN 0.463 nan 8.150 nan 0.000 0.452 90 Q N -0.676 119.134 119.800 0.017 0.000 2.234 90 Q HA -0.196 4.144 4.340 -0.000 0.000 0.206 90 Q C 2.320 178.285 176.000 -0.057 0.000 0.980 90 Q CA 1.107 56.908 55.803 -0.003 0.000 0.869 90 Q CB -0.404 28.328 28.738 -0.010 0.000 0.912 90 Q HN 0.738 nan 8.270 nan 0.000 0.436 91 A N 0.133 122.865 122.820 -0.147 0.000 1.986 91 A HA -0.194 4.126 4.320 -0.000 0.000 0.220 91 A C 1.585 178.923 177.584 -0.411 0.000 1.171 91 A CA 1.305 53.149 52.037 -0.322 0.000 0.640 91 A CB -0.681 18.030 19.000 -0.481 0.000 0.811 91 A HN 0.370 nan 8.150 nan 0.000 0.451 92 F N -0.592 119.346 119.950 -0.020 0.000 2.512 92 F HA 0.103 4.630 4.527 -0.000 0.000 0.296 92 F C 2.000 177.796 175.800 -0.006 0.000 1.110 92 F CA 0.461 58.452 58.000 -0.016 0.000 1.446 92 F CB -0.069 38.892 39.000 -0.065 0.000 1.092 92 F HN 0.102 nan 8.300 nan 0.000 0.554 93 L N -0.341 120.941 121.223 0.098 0.000 2.049 93 L HA -0.141 4.198 4.340 -0.000 0.000 0.203 93 L C 2.299 179.191 176.870 0.036 0.000 1.074 93 L CA 1.342 56.219 54.840 0.062 0.000 0.749 93 L CB -0.739 41.344 42.059 0.039 0.000 0.907 93 L HN 0.095 nan 8.230 nan 0.000 0.439 94 I N 0.369 120.938 120.570 -0.002 0.000 2.264 94 I HA -0.204 3.966 4.170 -0.000 0.000 0.248 94 I C 2.248 178.361 176.117 -0.006 0.000 1.111 94 I CA 1.518 62.809 61.300 -0.016 0.000 1.382 94 I CB -0.586 37.383 38.000 -0.052 0.000 1.060 94 I HN 0.284 nan 8.210 nan 0.000 0.418 95 G N -0.375 108.417 108.800 -0.014 0.000 2.985 95 G HA2 -0.090 3.870 3.960 -0.000 0.000 0.209 95 G HA3 -0.090 3.870 3.960 -0.000 0.000 0.209 95 G C 1.289 176.287 174.900 0.165 0.000 1.165 95 G CA -0.048 45.083 45.100 0.053 0.000 0.776 95 G HN 0.395 nan 8.290 nan 0.000 0.541 96 E N 1.484 121.758 120.200 0.124 0.000 2.048 96 E HA -0.268 4.082 4.350 -0.000 0.000 0.202 96 E C 2.665 179.332 176.600 0.112 0.000 1.021 96 E CA 1.973 58.447 56.400 0.122 0.000 0.825 96 E CB -0.107 29.642 29.700 0.083 0.000 0.756 96 E HN 0.498 nan 8.360 nan 0.000 0.454 97 S N -0.477 115.286 115.700 0.105 0.000 2.428 97 S HA -0.141 4.328 4.470 -0.000 0.000 0.230 97 S C 1.889 176.549 174.600 0.100 0.000 1.014 97 S CA 0.733 58.982 58.200 0.082 0.000 0.957 97 S CB -0.514 62.729 63.200 0.072 0.000 0.784 97 S HN 0.453 nan 8.310 nan 0.000 0.499 98 F N 2.245 122.199 119.950 0.006 0.000 2.146 98 F HA 0.154 4.681 4.527 -0.001 0.000 0.298 98 F C 1.799 177.606 175.800 0.010 0.000 1.096 98 F CA 1.038 59.037 58.000 -0.002 0.000 1.275 98 F CB -0.300 38.688 39.000 -0.019 0.000 1.008 98 F HN 0.159 nan 8.300 nan 0.000 0.480 99 I N -0.048 120.522 120.570 0.001 0.000 2.286 99 I HA -0.015 4.155 4.170 -0.000 0.000 0.245 99 I C 2.054 178.114 176.117 -0.095 0.000 1.104 99 I CA 0.891 62.151 61.300 -0.066 0.000 1.397 99 I CB -1.184 36.900 38.000 0.140 0.000 1.072 99 I HN 0.442 nan 8.210 nan 0.000 0.417 100 G N 1.270 110.047 108.800 -0.039 0.000 2.583 100 G HA2 -0.353 3.607 3.960 -0.000 0.000 0.292 100 G HA3 -0.353 3.607 3.960 -0.000 0.000 0.292 100 G C 0.396 175.286 174.900 -0.016 0.000 1.203 100 G CA 0.479 45.557 45.100 -0.036 0.000 0.987 100 G HN 0.332 nan 8.290 nan 0.000 0.554 101 N N 2.612 121.297 118.700 -0.025 0.000 2.320 101 N HA 0.227 4.967 4.740 -0.000 0.000 0.237 101 N C -0.234 175.271 175.510 -0.009 0.000 1.129 101 N CA 0.343 53.386 53.050 -0.011 0.000 0.854 101 N CB 0.060 38.540 38.487 -0.012 0.000 1.083 101 N HN 0.492 nan 8.380 nan 0.000 0.504 102 D N -0.034 120.357 120.400 -0.016 0.000 2.387 102 D HA 0.271 4.911 4.640 -0.000 0.000 0.255 102 D C 0.789 177.112 176.300 0.038 0.000 1.081 102 D CA -0.479 53.517 54.000 -0.006 0.000 0.994 102 D CB 1.885 42.657 40.800 -0.045 0.000 1.127 102 D HN -0.070 nan 8.370 nan 0.000 0.513 103 L N 0.475 121.729 121.223 0.051 0.000 2.473 103 L HA 0.180 4.520 4.340 -0.000 0.000 0.268 103 L C 0.934 177.875 176.870 0.118 0.000 1.215 103 L CA 0.252 55.148 54.840 0.094 0.000 0.823 103 L CB 0.454 42.567 42.059 0.091 0.000 1.099 103 L HN 0.459 nan 8.230 nan 0.000 0.483 104 S N 0.340 116.146 115.700 0.178 0.000 2.638 104 S HA 0.922 5.392 4.470 -0.000 0.000 0.274 104 S C -1.102 173.602 174.600 0.173 0.000 1.157 104 S CA -0.506 57.823 58.200 0.214 0.000 0.826 104 S CB 2.217 65.627 63.200 0.349 0.000 1.139 104 S HN 0.873 nan 8.310 nan 0.000 0.474 105 A N 0.454 123.337 122.820 0.105 0.000 2.488 105 A HA 0.764 5.084 4.320 -0.000 0.000 0.298 105 A C -1.684 175.903 177.584 0.005 0.000 1.044 105 A CA -0.608 51.339 52.037 -0.149 0.000 0.693 105 A CB 1.533 20.211 19.000 -0.536 0.000 1.272 105 A HN 1.507 nan 8.150 nan 0.000 0.402 106 L N 2.623 123.893 121.223 0.078 0.000 2.362 106 L HA 0.866 5.206 4.340 -0.000 0.000 0.275 106 L C -1.267 175.701 176.870 0.162 0.000 0.998 106 L CA -0.624 54.313 54.840 0.162 0.000 0.820 106 L CB 1.743 44.009 42.059 0.345 0.000 1.270 106 L HN 0.841 nan 8.230 nan 0.000 0.415 107 V N 6.092 126.071 119.914 0.110 0.000 2.656 107 V HA 0.541 4.661 4.120 -0.000 0.000 0.307 107 V C -0.562 175.634 176.094 0.170 0.000 1.051 107 V CA -0.749 61.641 62.300 0.150 0.000 0.893 107 V CB 2.143 34.044 31.823 0.129 0.000 0.999 107 V HN 0.763 nan 8.190 nan 0.000 0.426 108 L N 5.588 126.947 121.223 0.226 0.000 2.380 108 L HA 0.386 4.726 4.340 -0.000 0.000 0.273 108 L C 1.763 178.728 176.870 0.159 0.000 1.138 108 L CA 0.377 55.331 54.840 0.189 0.000 0.832 108 L CB 0.916 43.113 42.059 0.230 0.000 1.124 108 L HN 0.829 nan 8.230 nan 0.000 0.454 109 G N 1.076 109.940 108.800 0.108 0.000 2.559 109 G HA2 -0.189 3.771 3.960 -0.000 0.000 0.216 109 G HA3 -0.189 3.771 3.960 -0.000 0.000 0.216 109 G C 0.684 175.662 174.900 0.131 0.000 1.126 109 G CA 0.501 45.665 45.100 0.107 0.000 0.778 109 G HN 0.865 nan 8.290 nan 0.000 0.543 110 D N -1.006 119.460 120.400 0.110 0.000 2.462 110 D HA 0.048 4.688 4.640 -0.000 0.000 0.221 110 D C 0.033 176.348 176.300 0.024 0.000 1.173 110 D CA -0.580 53.463 54.000 0.070 0.000 0.831 110 D CB -0.642 40.187 40.800 0.048 0.000 1.001 110 D HN 0.109 nan 8.370 nan 0.000 0.499 111 N N 0.634 119.377 118.700 0.072 0.000 2.421 111 N HA 0.422 5.162 4.740 -0.000 0.000 0.285 111 N C -1.238 174.244 175.510 -0.047 0.000 1.027 111 N CA -0.564 52.490 53.050 0.006 0.000 0.918 111 N CB 2.121 40.718 38.487 0.183 0.000 1.152 111 N HN 0.090 nan 8.380 nan 0.000 0.485 112 L N 3.524 124.582 121.223 -0.276 0.000 2.376 112 L HA 0.452 4.792 4.340 -0.000 0.000 0.275 112 L C -1.567 175.097 176.870 -0.343 0.000 0.987 112 L CA -0.674 54.045 54.840 -0.202 0.000 0.828 112 L CB 0.955 42.832 42.059 -0.303 0.000 1.249 112 L HN 0.529 nan 8.230 nan 0.000 0.409 113 Y N 3.731 124.055 120.300 0.041 0.000 2.429 113 Y HA 0.573 5.123 4.550 -0.001 0.000 0.342 113 Y C -0.979 174.861 175.900 -0.100 0.000 1.004 113 Y CA -0.519 57.487 58.100 -0.156 0.000 1.075 113 Y CB 2.025 40.187 38.460 -0.496 0.000 1.214 113 Y HN 0.426 nan 8.280 nan 0.000 0.455 114 Y N 0.546 120.776 120.300 -0.117 0.000 2.436 114 Y HA 0.677 5.227 4.550 -0.000 0.000 0.327 114 Y C -0.486 175.491 175.900 0.128 0.000 1.138 114 Y CA -0.740 57.366 58.100 0.010 0.000 1.042 114 Y CB 2.172 40.741 38.460 0.181 0.000 1.302 114 Y HN 0.761 nan 8.280 nan 0.000 0.439 115 G N 2.636 111.182 108.800 -0.424 0.000 2.376 115 G HA2 0.231 4.190 3.960 -0.000 0.000 0.302 115 G HA3 0.231 4.190 3.960 -0.000 0.000 0.302 115 G C -2.213 172.647 174.900 -0.067 0.000 1.586 115 G CA -1.188 43.839 45.100 -0.121 0.000 0.907 115 G HN 0.921 nan 8.290 nan 0.000 0.655 116 H N 0.618 119.569 119.070 -0.198 0.000 3.034 116 H HA 0.361 4.916 4.556 -0.000 0.000 0.324 116 H C 0.855 176.148 175.328 -0.058 0.000 1.015 116 H CA 2.022 57.992 56.048 -0.130 0.000 1.429 116 H CB 0.629 30.308 29.762 -0.139 0.000 1.429 116 H HN 0.680 nan 8.280 nan 0.000 0.585 117 D N 2.673 122.733 120.400 -0.566 0.000 3.012 117 D HA -0.265 4.375 4.640 -0.000 0.000 0.222 117 D C 0.681 177.003 176.300 0.037 0.000 1.167 117 D CA 0.956 54.727 54.000 -0.382 0.000 0.854 117 D CB -1.584 38.975 40.800 -0.402 0.000 1.107 117 D HN 0.478 nan 8.370 nan 0.000 0.421 118 F N 0.823 120.783 119.950 0.017 0.000 2.095 118 F HA -0.149 4.378 4.527 -0.001 0.000 0.298 118 F C 2.280 178.089 175.800 0.015 0.000 1.104 118 F CA 2.424 60.486 58.000 0.104 0.000 1.232 118 F CB -0.552 38.487 39.000 0.065 0.000 0.987 118 F HN 0.510 nan 8.300 nan 0.000 0.475 119 H N -1.333 117.657 119.070 -0.133 0.000 2.546 119 H HA -0.029 4.527 4.556 -0.000 0.000 0.277 119 H C 1.330 176.525 175.328 -0.222 0.000 1.004 119 H CA 1.074 56.959 56.048 -0.271 0.000 1.231 119 H CB 0.076 29.747 29.762 -0.151 0.000 1.382 119 H HN 0.267 nan 8.280 nan 0.000 0.580 120 E N 0.800 120.986 120.200 -0.024 0.000 2.170 120 E HA -0.045 4.305 4.350 -0.000 0.000 0.191 120 E C 2.104 178.673 176.600 -0.052 0.000 0.981 120 E CA 0.373 56.783 56.400 0.017 0.000 0.830 120 E CB -0.072 29.574 29.700 -0.089 0.000 0.775 120 E HN 0.336 nan 8.360 nan 0.000 0.470 121 L N 0.327 121.484 121.223 -0.110 0.000 2.083 121 L HA -0.094 4.246 4.340 -0.000 0.000 0.209 121 L C 1.724 178.434 176.870 -0.266 0.000 1.083 121 L CA 1.531 56.276 54.840 -0.160 0.000 0.752 121 L CB -0.372 41.545 42.059 -0.236 0.000 0.899 121 L HN 0.153 nan 8.230 nan 0.000 0.433 122 L N -0.984 119.988 121.223 -0.417 0.000 2.005 122 L HA -0.100 4.239 4.340 -0.000 0.000 0.207 122 L C 2.557 179.262 176.870 -0.274 0.000 1.072 122 L CA 1.330 55.938 54.840 -0.387 0.000 0.744 122 L CB -1.483 40.317 42.059 -0.432 0.000 0.895 122 L HN 0.418 nan 8.230 nan 0.000 0.433 123 G N -0.649 108.048 108.800 -0.172 0.000 2.469 123 G HA2 -0.270 3.690 3.960 -0.000 0.000 0.219 123 G HA3 -0.270 3.690 3.960 -0.000 0.000 0.219 123 G C 1.696 176.510 174.900 -0.143 0.000 1.150 123 G CA 1.121 46.148 45.100 -0.121 0.000 0.763 123 G HN 0.392 nan 8.290 nan 0.000 0.561 124 S N 0.850 116.467 115.700 -0.138 0.000 2.423 124 S HA 0.096 4.566 4.470 -0.000 0.000 0.231 124 S C 2.620 177.088 174.600 -0.220 0.000 1.014 124 S CA 1.045 59.165 58.200 -0.133 0.000 0.965 124 S CB -0.149 62.998 63.200 -0.089 0.000 0.785 124 S HN 0.600 nan 8.310 nan 0.000 0.495 125 A N 0.710 123.311 122.820 -0.364 0.000 1.975 125 A HA 0.125 4.445 4.320 -0.000 0.000 0.215 125 A C 2.192 179.406 177.584 -0.617 0.000 1.170 125 A CA 1.094 52.768 52.037 -0.605 0.000 0.656 125 A CB -0.739 17.658 19.000 -1.005 0.000 0.821 125 A HN 0.398 nan 8.150 nan 0.000 0.449 126 S N -0.187 115.210 115.700 -0.504 0.000 2.419 126 S HA -0.187 4.283 4.470 -0.000 0.000 0.233 126 S C 2.104 176.670 174.600 -0.057 0.000 1.016 126 S CA 1.619 59.750 58.200 -0.116 0.000 0.974 126 S CB -0.278 62.945 63.200 0.038 0.000 0.786 126 S HN 0.829 nan 8.310 nan 0.000 0.492 127 Q N 0.193 119.929 119.800 -0.107 0.000 2.384 127 Q HA 0.132 4.472 4.340 -0.000 0.000 0.207 127 Q C 0.061 176.027 176.000 -0.057 0.000 0.904 127 Q CA -0.156 55.613 55.803 -0.057 0.000 0.933 127 Q CB 0.001 28.707 28.738 -0.053 0.000 1.077 127 Q HN 0.315 nan 8.270 nan 0.000 0.522 128 R N 1.559 122.006 120.500 -0.089 0.000 2.484 128 R HA 0.028 4.368 4.340 -0.000 0.000 0.293 128 R C 0.286 176.569 176.300 -0.028 0.000 1.023 128 R CA 0.333 56.394 56.100 -0.065 0.000 1.037 128 R CB 0.392 30.636 30.300 -0.093 0.000 0.951 128 R HN 0.390 nan 8.270 nan 0.000 0.418 129 Q N 0.534 120.328 119.800 -0.011 0.000 2.280 129 Q HA 0.046 4.386 4.340 -0.000 0.000 0.201 129 Q C 0.048 176.061 176.000 0.021 0.000 0.890 129 Q CA 0.339 56.148 55.803 0.010 0.000 0.947 129 Q CB 1.042 29.785 28.738 0.009 0.000 1.081 129 Q HN 0.467 nan 8.270 nan 0.000 0.502 130 T N -1.127 113.435 114.554 0.013 0.000 2.894 130 T HA 0.571 4.921 4.350 -0.000 0.000 0.309 130 T C -0.352 174.366 174.700 0.030 0.000 1.208 130 T CA 0.346 62.466 62.100 0.034 0.000 1.016 130 T CB 1.452 70.335 68.868 0.026 0.000 1.192 130 T HN 0.475 nan 8.240 nan 0.000 0.491 131 G N 1.500 110.353 108.800 0.088 0.000 2.698 131 G HA2 0.363 4.323 3.960 -0.000 0.000 0.233 131 G HA3 0.363 4.323 3.960 -0.000 0.000 0.233 131 G C -0.190 174.628 174.900 -0.136 0.000 1.352 131 G CA -0.137 45.008 45.100 0.076 0.000 0.879 131 G HN 1.538 nan 8.290 nan 0.000 0.567 132 A N -1.068 121.518 122.820 -0.389 0.000 2.423 132 A HA 0.945 5.265 4.320 -0.000 0.000 0.304 132 A C -0.008 177.365 177.584 -0.351 0.000 1.104 132 A CA 0.578 52.307 52.037 -0.513 0.000 0.757 132 A CB 1.866 20.274 19.000 -0.987 0.000 1.313 132 A HN 1.928 nan 8.150 nan 0.000 0.423 133 S N -0.249 115.242 115.700 -0.349 0.000 2.557 133 S HA 0.688 5.158 4.470 -0.000 0.000 0.291 133 S C -0.245 174.069 174.600 -0.477 0.000 1.116 133 S CA -0.298 57.659 58.200 -0.404 0.000 0.992 133 S CB 1.381 64.300 63.200 -0.469 0.000 1.028 133 S HN 1.703 nan 8.310 nan 0.000 0.484 134 V N -0.095 119.481 119.914 -0.564 0.000 3.156 134 V HA 0.876 4.996 4.120 -0.000 0.000 0.311 134 V C -1.707 173.881 176.094 -0.844 0.000 1.208 134 V CA -1.046 60.919 62.300 -0.558 0.000 1.063 134 V CB 1.394 33.120 31.823 -0.161 0.000 1.098 134 V HN 0.698 nan 8.190 nan 0.000 0.452 135 F N 0.161 120.024 119.950 -0.146 0.000 2.556 135 F HA 0.891 5.418 4.527 -0.001 0.000 0.314 135 F C 0.326 176.079 175.800 -0.078 0.000 1.106 135 F CA -0.314 57.610 58.000 -0.126 0.000 0.911 135 F CB 2.158 41.034 39.000 -0.207 0.000 1.190 135 F HN 0.883 nan 8.300 nan 0.000 0.448 136 A N 2.475 125.430 122.820 0.224 0.000 2.330 136 A HA 0.740 5.059 4.320 -0.000 0.000 0.327 136 A C -2.171 175.684 177.584 0.452 0.000 1.155 136 A CA -0.612 51.604 52.037 0.298 0.000 0.803 136 A CB 0.831 20.049 19.000 0.363 0.000 1.208 136 A HN 0.738 nan 8.150 nan 0.000 0.477 137 Y N 2.251 122.729 120.300 0.297 0.000 2.386 137 Y HA 0.331 4.881 4.550 -0.000 0.000 0.334 137 Y C -0.057 175.985 175.900 0.237 0.000 1.002 137 Y CA -0.645 57.633 58.100 0.297 0.000 1.068 137 Y CB 1.198 39.747 38.460 0.148 0.000 1.203 137 Y HN 0.827 nan 8.280 nan 0.000 0.443 138 H N 5.713 124.636 119.070 -0.246 0.000 2.929 138 H HA 0.463 5.018 4.556 -0.000 0.000 0.317 138 H C -0.750 174.396 175.328 -0.305 0.000 1.031 138 H CA 0.926 56.641 56.048 -0.555 0.000 1.466 138 H CB 0.424 29.831 29.762 -0.593 0.000 1.482 138 H HN 0.622 nan 8.280 nan 0.000 0.561 139 V N 3.196 123.034 119.914 -0.127 0.000 3.160 139 V HA 0.211 4.331 4.120 -0.000 0.000 0.310 139 V C 0.758 176.885 176.094 0.056 0.000 1.181 139 V CA -0.980 61.372 62.300 0.087 0.000 1.047 139 V CB 1.571 33.503 31.823 0.182 0.000 1.068 139 V HN 0.588 nan 8.190 nan 0.000 0.441 140 L N 0.118 121.400 121.223 0.098 0.000 2.109 140 L HA 0.319 4.659 4.340 -0.000 0.000 0.207 140 L C 1.035 177.944 176.870 0.065 0.000 1.086 140 L CA 1.896 56.782 54.840 0.076 0.000 0.760 140 L CB -0.369 41.728 42.059 0.062 0.000 0.910 140 L HN 0.859 nan 8.230 nan 0.000 0.437 141 D N 0.294 120.758 120.400 0.106 0.000 2.863 141 D HA 0.203 4.843 4.640 -0.000 0.000 0.323 141 D C -1.711 174.696 176.300 0.177 0.000 1.286 141 D CA -1.216 52.846 54.000 0.103 0.000 0.921 141 D CB 0.682 41.527 40.800 0.075 0.000 1.024 141 D HN 0.237 nan 8.370 nan 0.000 0.505 142 P HA -0.207 nan 4.420 nan 0.000 0.218 142 P C 1.323 178.745 177.300 0.203 0.000 1.146 142 P CA 1.065 64.295 63.100 0.218 0.000 0.813 142 P CB 0.335 32.090 31.700 0.092 0.000 0.778 143 E N 0.869 121.126 120.200 0.095 0.000 2.401 143 E HA -0.181 4.168 4.350 -0.000 0.000 0.199 143 E C 1.654 178.238 176.600 -0.027 0.000 1.023 143 E CA 0.860 57.285 56.400 0.040 0.000 0.859 143 E CB -0.638 29.072 29.700 0.016 0.000 0.780 143 E HN 0.304 nan 8.360 nan 0.000 0.523 144 R N -0.796 119.630 120.500 -0.123 0.000 2.300 144 R HA 0.171 4.511 4.340 -0.000 0.000 0.199 144 R C 0.021 175.931 176.300 -0.650 0.000 0.920 144 R CA 0.280 56.127 56.100 -0.420 0.000 1.046 144 R CB 0.272 30.202 30.300 -0.617 0.000 0.984 144 R HN 0.166 nan 8.270 nan 0.000 0.493 145 Y N -1.843 118.523 120.300 0.110 0.000 2.790 145 Y HA 0.479 5.029 4.550 -0.000 0.000 0.323 145 Y C 0.850 176.827 175.900 0.129 0.000 1.230 145 Y CA -1.485 56.706 58.100 0.151 0.000 1.121 145 Y CB 0.564 39.160 38.460 0.226 0.000 1.328 145 Y HN -0.173 nan 8.280 nan 0.000 0.514 146 G N 0.650 109.671 108.800 0.368 0.000 2.364 146 G HA2 0.468 4.427 3.960 -0.000 0.000 0.267 146 G HA3 0.468 4.427 3.960 -0.000 0.000 0.267 146 G C -1.225 173.806 174.900 0.219 0.000 1.233 146 G CA -0.184 45.056 45.100 0.234 0.000 0.885 146 G HN 0.313 nan 8.290 nan 0.000 0.490 147 V N 2.736 122.742 119.914 0.155 0.000 2.581 147 V HA 0.559 4.679 4.120 -0.000 0.000 0.303 147 V C -0.028 176.107 176.094 0.068 0.000 1.041 147 V CA -0.855 61.525 62.300 0.133 0.000 0.907 147 V CB 1.707 33.599 31.823 0.116 0.000 0.994 147 V HN 0.611 nan 8.190 nan 0.000 0.442 148 V N 4.175 124.114 119.914 0.041 0.000 2.495 148 V HA 0.600 4.720 4.120 -0.000 0.000 0.298 148 V C -0.354 175.626 176.094 -0.192 0.000 1.031 148 V CA -0.264 61.964 62.300 -0.120 0.000 0.871 148 V CB 1.663 33.343 31.823 -0.237 0.000 0.988 148 V HN 1.040 nan 8.190 nan 0.000 0.432 149 E N 5.102 125.161 120.200 -0.235 0.000 2.191 149 E HA 0.501 4.851 4.350 -0.000 0.000 0.278 149 E C -1.647 174.778 176.600 -0.292 0.000 0.972 149 E CA -0.575 55.748 56.400 -0.129 0.000 0.804 149 E CB 1.283 30.962 29.700 -0.035 0.000 1.110 149 E HN 0.653 nan 8.360 nan 0.000 0.394 150 F N 2.364 122.331 119.950 0.028 0.000 2.492 150 F HA 0.205 4.732 4.527 -0.000 0.000 0.327 150 F C 0.575 176.383 175.800 0.013 0.000 1.079 150 F CA -0.903 57.098 58.000 0.001 0.000 0.967 150 F CB 1.086 40.065 39.000 -0.035 0.000 1.169 150 F HN 0.461 nan 8.300 nan 0.000 0.472 151 D N 0.498 121.008 120.400 0.183 0.000 2.411 151 D HA 0.065 4.705 4.640 -0.000 0.000 0.251 151 D C 0.544 176.910 176.300 0.110 0.000 1.201 151 D CA -0.352 53.717 54.000 0.115 0.000 0.996 151 D CB 0.501 41.345 40.800 0.072 0.000 1.101 151 D HN 0.667 nan 8.370 nan 0.000 0.504 152 Q N -0.141 119.703 119.800 0.072 0.000 2.291 152 Q HA -0.028 4.312 4.340 -0.000 0.000 0.206 152 Q C 1.889 177.910 176.000 0.036 0.000 0.976 152 Q CA 1.308 57.142 55.803 0.051 0.000 0.875 152 Q CB -0.304 28.458 28.738 0.040 0.000 0.927 152 Q HN 0.754 nan 8.270 nan 0.000 0.450 153 G N 0.046 108.871 108.800 0.041 0.000 2.679 153 G HA2 0.101 4.061 3.960 -0.000 0.000 0.212 153 G HA3 0.101 4.061 3.960 -0.000 0.000 0.212 153 G C 0.958 175.872 174.900 0.024 0.000 1.137 153 G CA 0.397 45.513 45.100 0.028 0.000 0.787 153 G HN 0.495 nan 8.290 nan 0.000 0.534 154 G N -0.641 108.187 108.800 0.047 0.000 2.157 154 G HA2 -0.237 3.722 3.960 -0.000 0.000 0.239 154 G HA3 -0.237 3.722 3.960 -0.000 0.000 0.239 154 G C 0.306 175.313 174.900 0.179 0.000 0.982 154 G CA 0.220 45.329 45.100 0.014 0.000 0.650 154 G HN 0.574 nan 8.290 nan 0.000 0.527 155 K N 0.687 121.203 120.400 0.195 0.000 2.172 155 K HA 0.662 4.982 4.320 -0.000 0.000 0.276 155 K C 0.750 177.466 176.600 0.193 0.000 1.013 155 K CA 0.032 56.429 56.287 0.183 0.000 0.913 155 K CB 1.525 34.074 32.500 0.082 0.000 1.055 155 K HN 0.506 nan 8.250 nan 0.000 0.461 156 A N 3.155 126.014 122.820 0.065 0.000 2.520 156 A HA 0.133 4.453 4.320 -0.000 0.000 0.245 156 A C 0.852 178.363 177.584 -0.121 0.000 1.072 156 A CA 0.052 51.946 52.037 -0.238 0.000 0.761 156 A CB -0.567 18.279 19.000 -0.257 0.000 1.004 156 A HN 0.949 nan 8.150 nan 0.000 0.499 157 I N -0.037 120.451 120.570 -0.136 0.000 4.526 157 I HA 0.320 4.489 4.170 -0.000 0.000 0.330 157 I C 0.300 176.382 176.117 -0.060 0.000 1.323 157 I CA 0.426 61.688 61.300 -0.063 0.000 1.218 157 I CB 0.187 38.173 38.000 -0.022 0.000 1.233 157 I HN 0.578 nan 8.210 nan 0.000 0.430 158 S N 0.767 116.413 115.700 -0.090 0.000 2.587 158 S HA 0.751 5.221 4.470 -0.000 0.000 0.269 158 S C -1.339 173.224 174.600 -0.061 0.000 1.154 158 S CA -0.733 57.435 58.200 -0.053 0.000 0.824 158 S CB 2.087 65.271 63.200 -0.027 0.000 1.118 158 S HN 0.221 nan 8.310 nan 0.000 0.462 159 L N 0.955 122.164 121.223 -0.023 0.000 2.431 159 L HA 0.684 5.024 4.340 -0.000 0.000 0.266 159 L C -0.818 176.065 176.870 0.022 0.000 0.978 159 L CA -0.443 54.396 54.840 -0.001 0.000 0.822 159 L CB 2.222 44.290 42.059 0.016 0.000 1.310 159 L HN 0.821 nan 8.230 nan 0.000 0.409 160 E N 1.524 121.747 120.200 0.039 0.000 2.314 160 E HA 0.373 4.723 4.350 -0.000 0.000 0.272 160 E C -1.492 175.150 176.600 0.069 0.000 0.884 160 E CA -0.926 55.502 56.400 0.046 0.000 0.753 160 E CB 3.204 32.928 29.700 0.039 0.000 1.213 160 E HN 0.356 nan 8.360 nan 0.000 0.432 161 E N 2.094 122.333 120.200 0.064 0.000 2.174 161 E HA 0.132 4.481 4.350 -0.000 0.000 0.282 161 E C -1.012 175.625 176.600 0.060 0.000 0.992 161 E CA -0.394 56.053 56.400 0.077 0.000 0.803 161 E CB 0.547 30.288 29.700 0.068 0.000 1.090 161 E HN 0.397 nan 8.360 nan 0.000 0.396 162 K N 3.613 124.053 120.400 0.065 0.000 3.540 162 K HA -0.151 4.169 4.320 -0.000 0.000 0.274 162 K C -2.171 174.446 176.600 0.028 0.000 0.890 162 K CA 0.597 56.903 56.287 0.032 0.000 0.701 162 K CB -1.312 31.192 32.500 0.006 0.000 1.523 162 K HN 0.531 nan 8.250 nan 0.000 0.450 163 P HA 0.011 nan 4.420 nan 0.000 0.279 163 P C 0.877 178.192 177.300 0.025 0.000 1.239 163 P CA -0.297 62.822 63.100 0.031 0.000 0.789 163 P CB 0.891 32.615 31.700 0.039 0.000 0.933 164 L N 1.289 122.523 121.223 0.018 0.000 2.201 164 L HA -0.062 4.278 4.340 -0.000 0.000 0.212 164 L C 0.871 177.752 176.870 0.018 0.000 1.105 164 L CA 1.613 56.461 54.840 0.014 0.000 0.775 164 L CB -0.167 41.899 42.059 0.012 0.000 0.913 164 L HN 0.494 nan 8.230 nan 0.000 0.440 165 E N -0.048 120.166 120.200 0.022 0.000 2.873 165 E HA 0.240 4.590 4.350 -0.000 0.000 0.232 165 E C -2.298 174.321 176.600 0.031 0.000 1.123 165 E CA -1.813 54.602 56.400 0.025 0.000 0.809 165 E CB 1.083 30.797 29.700 0.022 0.000 1.366 165 E HN 0.030 nan 8.360 nan 0.000 0.400 166 P HA -0.045 nan 4.420 nan 0.000 0.264 166 P C 0.229 177.557 177.300 0.046 0.000 1.183 166 P CA 0.150 63.278 63.100 0.046 0.000 0.763 166 P CB 0.795 32.524 31.700 0.048 0.000 0.807 167 K N 0.533 120.965 120.400 0.052 0.000 2.426 167 K HA 0.108 4.427 4.320 -0.000 0.000 0.193 167 K C 0.705 177.353 176.600 0.081 0.000 1.028 167 K CA 0.361 56.682 56.287 0.057 0.000 1.047 167 K CB 0.186 32.714 32.500 0.047 0.000 0.821 167 K HN 0.672 nan 8.250 nan 0.000 0.513 168 S N -1.492 114.260 115.700 0.087 0.000 2.683 168 S HA 0.234 4.703 4.470 -0.000 0.000 0.269 168 S C -0.657 173.963 174.600 0.034 0.000 1.165 168 S CA -1.027 57.240 58.200 0.112 0.000 0.840 168 S CB 0.616 63.964 63.200 0.246 0.000 1.169 168 S HN -0.025 nan 8.310 nan 0.000 0.490 169 N N -0.123 118.522 118.700 -0.093 0.000 2.251 169 N HA 0.209 4.949 4.740 -0.000 0.000 0.217 169 N C -1.337 173.877 175.510 -0.492 0.000 1.124 169 N CA 0.193 53.021 53.050 -0.370 0.000 0.843 169 N CB 0.029 38.043 38.487 -0.789 0.000 1.024 169 N HN 0.522 nan 8.380 nan 0.000 0.501 170 Y N 1.083 121.383 120.300 0.000 0.000 2.367 170 Y HA 0.420 4.970 4.550 -0.000 0.000 0.342 170 Y C 0.593 176.562 175.900 0.116 0.000 0.979 170 Y CA -0.759 57.405 58.100 0.107 0.000 1.161 170 Y CB 1.006 39.651 38.460 0.308 0.000 1.155 170 Y HN -0.047 nan 8.280 nan 0.000 0.503 171 A N 3.229 126.180 122.820 0.219 0.000 2.293 171 A HA 0.657 4.976 4.320 -0.000 0.000 0.302 171 A C -0.707 176.934 177.584 0.095 0.000 1.119 171 A CA -0.682 51.457 52.037 0.169 0.000 0.823 171 A CB 0.568 19.619 19.000 0.084 0.000 1.097 171 A HN 0.528 nan 8.150 nan 0.000 0.491 172 V N 2.525 122.487 119.914 0.080 0.000 2.461 172 V HA 0.344 4.464 4.120 -0.000 0.000 0.275 172 V C 1.203 177.206 176.094 -0.150 0.000 1.047 172 V CA 0.216 62.527 62.300 0.018 0.000 0.955 172 V CB 0.765 32.664 31.823 0.126 0.000 0.988 172 V HN 1.140 nan 8.190 nan 0.000 0.471 173 T N 1.929 116.231 114.554 -0.420 0.000 2.770 173 T HA 0.350 4.699 4.350 -0.000 0.000 0.281 173 T C 0.986 175.468 174.700 -0.363 0.000 0.981 173 T CA 0.053 61.657 62.100 -0.826 0.000 0.955 173 T CB 1.164 69.229 68.868 -1.338 0.000 1.060 173 T HN 0.824 nan 8.240 nan 0.000 0.531 174 G N 0.301 109.039 108.800 -0.103 0.000 3.574 174 G HA2 0.456 4.416 3.960 -0.000 0.000 0.262 174 G HA3 0.456 4.416 3.960 -0.000 0.000 0.262 174 G C -0.606 174.204 174.900 -0.149 0.000 1.231 174 G CA -0.309 44.807 45.100 0.028 0.000 1.608 174 G HN 0.656 nan 8.290 nan 0.000 0.628 175 L N 0.439 121.285 121.223 -0.628 0.000 2.482 175 L HA 0.679 5.019 4.340 -0.000 0.000 0.269 175 L C -1.920 174.612 176.870 -0.564 0.000 0.967 175 L CA -1.593 53.031 54.840 -0.359 0.000 0.851 175 L CB 1.217 43.147 42.059 -0.215 0.000 1.242 175 L HN 0.158 nan 8.230 nan 0.000 0.404 176 Y N 4.574 124.844 120.300 -0.050 0.000 2.406 176 Y HA 0.652 5.202 4.550 -0.000 0.000 0.340 176 Y C -0.960 174.637 175.900 -0.505 0.000 0.975 176 Y CA -0.761 57.204 58.100 -0.225 0.000 1.056 176 Y CB 1.835 40.183 38.460 -0.186 0.000 1.210 176 Y HN 0.370 nan 8.280 nan 0.000 0.448 177 F N 2.725 122.397 119.950 -0.462 0.000 2.444 177 F HA 0.585 5.112 4.527 -0.000 0.000 0.342 177 F C -0.724 174.698 175.800 -0.630 0.000 1.121 177 F CA -1.246 56.523 58.000 -0.386 0.000 0.997 177 F CB 0.908 39.772 39.000 -0.226 0.000 1.130 177 F HN 0.377 nan 8.300 nan 0.000 0.454 178 Y N 1.089 121.442 120.300 0.088 0.000 2.570 178 Y HA 0.364 4.913 4.550 -0.000 0.000 0.345 178 Y C -0.010 175.905 175.900 0.025 0.000 1.014 178 Y CA -1.296 56.780 58.100 -0.039 0.000 1.063 178 Y CB 1.570 39.969 38.460 -0.102 0.000 1.272 178 Y HN 0.583 nan 8.280 nan 0.000 0.477 179 D N -0.639 119.889 120.400 0.213 0.000 2.511 179 D HA 0.094 4.734 4.640 -0.000 0.000 0.283 179 D C 0.169 176.554 176.300 0.142 0.000 1.198 179 D CA -0.360 53.733 54.000 0.155 0.000 1.097 179 D CB 0.248 41.130 40.800 0.136 0.000 1.160 179 D HN 0.611 nan 8.370 nan 0.000 0.589 180 Q N -1.169 118.687 119.800 0.094 0.000 2.482 180 Q HA 0.006 4.346 4.340 -0.000 0.000 0.209 180 Q C 1.592 177.603 176.000 0.019 0.000 0.961 180 Q CA 0.514 56.348 55.803 0.052 0.000 0.945 180 Q CB -0.057 28.700 28.738 0.032 0.000 1.012 180 Q HN 0.453 nan 8.270 nan 0.000 0.515 181 Q N -0.268 119.551 119.800 0.032 0.000 2.435 181 Q HA -0.031 4.309 4.340 -0.000 0.000 0.207 181 Q C 2.002 177.913 176.000 -0.147 0.000 0.956 181 Q CA 0.473 56.237 55.803 -0.065 0.000 0.917 181 Q CB 0.167 28.834 28.738 -0.119 0.000 0.997 181 Q HN 0.214 nan 8.270 nan 0.000 0.497 182 V N 0.201 120.026 119.914 -0.147 0.000 2.427 182 V HA -0.208 3.912 4.120 -0.000 0.000 0.248 182 V C 2.031 177.901 176.094 -0.374 0.000 1.051 182 V CA 1.288 63.337 62.300 -0.419 0.000 1.048 182 V CB -0.024 31.251 31.823 -0.913 0.000 0.666 182 V HN 0.177 nan 8.190 nan 0.000 0.456 183 V N 0.309 120.114 119.914 -0.183 0.000 2.295 183 V HA -0.227 3.893 4.120 -0.000 0.000 0.246 183 V C 2.332 178.380 176.094 -0.077 0.000 1.049 183 V CA 2.467 64.731 62.300 -0.060 0.000 1.024 183 V CB -0.721 31.113 31.823 0.019 0.000 0.648 183 V HN 0.602 nan 8.190 nan 0.000 0.447 184 D N -0.285 120.059 120.400 -0.093 0.000 2.144 184 D HA -0.079 4.561 4.640 -0.000 0.000 0.200 184 D C 2.097 178.327 176.300 -0.117 0.000 0.978 184 D CA 1.151 55.099 54.000 -0.087 0.000 0.833 184 D CB -0.048 40.702 40.800 -0.083 0.000 0.961 184 D HN 0.399 nan 8.370 nan 0.000 0.470 185 I N 1.361 121.824 120.570 -0.179 0.000 2.179 185 I HA -0.251 3.918 4.170 -0.000 0.000 0.242 185 I C 2.489 178.519 176.117 -0.145 0.000 1.088 185 I CA 1.053 62.233 61.300 -0.199 0.000 1.357 185 I CB -0.119 37.698 38.000 -0.305 0.000 1.051 185 I HN -0.085 nan 8.210 nan 0.000 0.409 186 A N 0.417 123.152 122.820 -0.142 0.000 2.015 186 A HA -0.159 4.161 4.320 -0.000 0.000 0.219 186 A C 2.346 179.913 177.584 -0.028 0.000 1.163 186 A CA 1.169 53.168 52.037 -0.065 0.000 0.646 186 A CB -0.490 18.505 19.000 -0.010 0.000 0.806 186 A HN 0.309 nan 8.150 nan 0.000 0.448 187 R N -0.127 120.354 120.500 -0.031 0.000 2.115 187 R HA -0.088 4.252 4.340 -0.000 0.000 0.230 187 R C 0.402 176.686 176.300 -0.025 0.000 1.111 187 R CA 1.337 57.426 56.100 -0.018 0.000 0.976 187 R CB -0.197 30.091 30.300 -0.019 0.000 0.870 187 R HN 0.434 nan 8.270 nan 0.000 0.445 188 D N 0.463 120.839 120.400 -0.041 0.000 2.319 188 D HA 0.059 4.699 4.640 -0.000 0.000 0.230 188 D C 0.338 176.617 176.300 -0.035 0.000 1.094 188 D CA 0.315 54.291 54.000 -0.038 0.000 0.856 188 D CB 0.109 40.880 40.800 -0.049 0.000 0.915 188 D HN 0.132 nan 8.370 nan 0.000 0.517 189 L N 0.621 121.826 121.223 -0.031 0.000 2.453 189 L HA 0.211 4.551 4.340 -0.000 0.000 0.261 189 L C 0.842 177.704 176.870 -0.013 0.000 1.179 189 L CA -0.130 54.696 54.840 -0.023 0.000 0.813 189 L CB 0.657 42.705 42.059 -0.018 0.000 1.110 189 L HN -0.349 nan 8.230 nan 0.000 0.466 190 K N 1.237 121.631 120.400 -0.010 0.000 2.375 190 K HA 0.506 4.826 4.320 -0.000 0.000 0.249 190 K C -2.473 174.126 176.600 -0.001 0.000 0.942 190 K CA -2.061 54.223 56.287 -0.005 0.000 0.806 190 K CB 1.530 34.026 32.500 -0.006 0.000 1.227 190 K HN 0.171 nan 8.250 nan 0.000 0.430 191 P HA -0.008 nan 4.420 nan 0.000 0.266 191 P C 0.011 177.314 177.300 0.005 0.000 1.195 191 P CA 0.070 63.173 63.100 0.004 0.000 0.768 191 P CB 0.474 32.177 31.700 0.005 0.000 0.838 192 S N 3.523 119.227 115.700 0.007 0.000 2.626 192 S HA 0.239 4.708 4.470 -0.000 0.000 0.257 192 S C -1.474 173.130 174.600 0.007 0.000 1.288 192 S CA -0.773 57.432 58.200 0.008 0.000 0.980 192 S CB -0.523 62.684 63.200 0.012 0.000 0.975 192 S HN 0.248 nan 8.310 nan 0.000 0.577 193 P HA -0.081 nan 4.420 nan 0.000 0.216 193 P C 1.272 178.577 177.300 0.007 0.000 1.153 193 P CA 1.306 64.410 63.100 0.007 0.000 0.858 193 P CB -0.059 31.645 31.700 0.007 0.000 0.789 194 R N -1.570 118.935 120.500 0.009 0.000 2.293 194 R HA 0.049 4.388 4.340 -0.000 0.000 0.219 194 R C 1.306 177.611 176.300 0.008 0.000 1.091 194 R CA 0.939 57.044 56.100 0.008 0.000 1.004 194 R CB -0.801 29.506 30.300 0.010 0.000 0.865 194 R HN 0.250 nan 8.270 nan 0.000 0.469 195 G N 0.866 109.671 108.800 0.009 0.000 2.149 195 G HA2 -0.215 3.745 3.960 -0.000 0.000 0.235 195 G HA3 -0.215 3.745 3.960 -0.000 0.000 0.235 195 G C -0.434 174.472 174.900 0.010 0.000 1.018 195 G CA -0.084 45.021 45.100 0.008 0.000 0.728 195 G HN 0.257 nan 8.290 nan 0.000 0.508 196 E N -0.699 119.508 120.200 0.012 0.000 2.299 196 E HA 0.556 4.906 4.350 -0.000 0.000 0.265 196 E C 0.102 176.710 176.600 0.014 0.000 0.911 196 E CA -0.988 55.420 56.400 0.015 0.000 0.789 196 E CB 1.588 31.300 29.700 0.020 0.000 1.246 196 E HN 0.205 nan 8.360 nan 0.000 0.427 197 L N 2.421 123.653 121.223 0.015 0.000 2.334 197 L HA 0.154 4.493 4.340 -0.000 0.000 0.286 197 L C 0.382 177.264 176.870 0.019 0.000 1.108 197 L CA -0.223 54.626 54.840 0.014 0.000 0.875 197 L CB 0.089 42.157 42.059 0.015 0.000 1.246 197 L HN 0.132 nan 8.230 nan 0.000 0.439 198 E N 3.084 123.295 120.200 0.018 0.000 2.180 198 E HA 0.011 4.361 4.350 -0.000 0.000 0.283 198 E C 0.954 177.564 176.600 0.016 0.000 1.061 198 E CA -0.289 56.126 56.400 0.024 0.000 0.861 198 E CB 2.094 31.811 29.700 0.028 0.000 1.056 198 E HN 0.472 nan 8.360 nan 0.000 0.407 199 I N 3.458 124.032 120.570 0.007 0.000 2.399 199 I HA -0.280 3.890 4.170 -0.000 0.000 0.254 199 I C 1.938 178.054 176.117 -0.001 0.000 1.146 199 I CA 1.666 62.943 61.300 -0.039 0.000 1.412 199 I CB -0.109 37.793 38.000 -0.163 0.000 1.076 199 I HN 0.457 nan 8.210 nan 0.000 0.432 200 T N 0.178 114.757 114.554 0.043 0.000 2.788 200 T HA -0.166 4.184 4.350 -0.000 0.000 0.268 200 T C 1.516 176.247 174.700 0.050 0.000 1.044 200 T CA 1.685 63.827 62.100 0.069 0.000 1.139 200 T CB -0.307 68.609 68.868 0.079 0.000 0.867 200 T HN 0.369 nan 8.240 nan 0.000 0.454 201 D N 0.635 121.052 120.400 0.029 0.000 2.178 201 D HA -0.042 4.598 4.640 -0.000 0.000 0.201 201 D C 2.176 178.481 176.300 0.008 0.000 0.980 201 D CA 0.496 54.504 54.000 0.014 0.000 0.842 201 D CB -0.437 40.363 40.800 -0.000 0.000 0.948 201 D HN 0.210 nan 8.370 nan 0.000 0.472 202 V N 1.514 121.428 119.914 0.001 0.000 2.295 202 V HA -0.213 3.907 4.120 -0.000 0.000 0.246 202 V C 2.032 178.201 176.094 0.125 0.000 1.049 202 V CA 1.413 63.705 62.300 -0.014 0.000 1.024 202 V CB -0.395 31.364 31.823 -0.106 0.000 0.648 202 V HN 0.177 nan 8.190 nan 0.000 0.447 203 N N 0.098 118.889 118.700 0.151 0.000 2.166 203 N HA -0.166 4.574 4.740 -0.000 0.000 0.186 203 N C 1.965 177.571 175.510 0.161 0.000 1.019 203 N CA 1.261 54.439 53.050 0.213 0.000 0.856 203 N CB -0.436 38.154 38.487 0.171 0.000 0.993 203 N HN 0.430 nan 8.380 nan 0.000 0.426 204 R N 0.793 121.348 120.500 0.092 0.000 2.120 204 R HA 0.005 4.345 4.340 -0.000 0.000 0.234 204 R C 1.982 178.308 176.300 0.045 0.000 1.123 204 R CA 1.145 57.278 56.100 0.055 0.000 0.975 204 R CB -0.096 30.221 30.300 0.028 0.000 0.866 204 R HN 0.171 nan 8.270 nan 0.000 0.446 205 A N -0.045 122.787 122.820 0.021 0.000 1.902 205 A HA -0.192 4.128 4.320 -0.000 0.000 0.217 205 A C 1.854 179.409 177.584 -0.047 0.000 1.181 205 A CA 1.232 53.233 52.037 -0.060 0.000 0.623 205 A CB -0.792 18.114 19.000 -0.156 0.000 0.818 205 A HN 0.468 nan 8.150 nan 0.000 0.443 206 Y N -1.072 119.219 120.300 -0.015 0.000 2.293 206 Y HA -0.123 4.427 4.550 -0.001 0.000 0.291 206 Y C 2.224 178.120 175.900 -0.008 0.000 1.137 206 Y CA 1.258 59.355 58.100 -0.005 0.000 1.202 206 Y CB -0.205 38.271 38.460 0.027 0.000 0.990 206 Y HN 0.361 nan 8.280 nan 0.000 0.537 207 L N 0.458 121.768 121.223 0.145 0.000 2.056 207 L HA -0.166 4.174 4.340 -0.000 0.000 0.207 207 L C 1.896 178.787 176.870 0.035 0.000 1.078 207 L CA 1.833 56.713 54.840 0.067 0.000 0.749 207 L CB -0.544 41.538 42.059 0.038 0.000 0.901 207 L HN 0.155 nan 8.230 nan 0.000 0.433 208 E N -0.660 119.553 120.200 0.021 0.000 2.333 208 E HA -0.182 4.168 4.350 -0.000 0.000 0.198 208 E C 1.716 178.315 176.600 -0.002 0.000 1.007 208 E CA 0.593 56.994 56.400 0.001 0.000 0.845 208 E CB 0.003 29.696 29.700 -0.011 0.000 0.766 208 E HN 0.490 nan 8.360 nan 0.000 0.507 209 R N -0.739 119.764 120.500 0.005 0.000 2.362 209 R HA 0.105 4.444 4.340 -0.000 0.000 0.227 209 R C 0.939 177.251 176.300 0.021 0.000 0.905 209 R CA 0.435 56.536 56.100 0.001 0.000 1.067 209 R CB 0.847 31.137 30.300 -0.016 0.000 1.078 209 R HN 0.169 nan 8.270 nan 0.000 0.516 210 G N 1.230 110.047 108.800 0.029 0.000 2.160 210 G HA2 -0.317 3.643 3.960 -0.000 0.000 0.251 210 G HA3 -0.317 3.643 3.960 -0.000 0.000 0.251 210 G C 0.396 175.321 174.900 0.041 0.000 1.008 210 G CA 0.199 45.315 45.100 0.026 0.000 0.724 210 G HN 0.434 nan 8.290 nan 0.000 0.514 211 Q N -1.267 118.582 119.800 0.082 0.000 2.155 211 Q HA 0.430 4.770 4.340 -0.000 0.000 0.220 211 Q C 0.327 176.378 176.000 0.085 0.000 0.819 211 Q CA -0.376 55.491 55.803 0.106 0.000 1.032 211 Q CB 0.977 29.825 28.738 0.184 0.000 1.151 211 Q HN 0.487 nan 8.270 nan 0.000 0.487 212 L N 0.629 121.882 121.223 0.049 0.000 2.282 212 L HA 0.467 4.807 4.340 -0.000 0.000 0.288 212 L C -0.586 176.245 176.870 -0.066 0.000 1.033 212 L CA -0.083 54.744 54.840 -0.022 0.000 0.807 212 L CB 1.875 43.945 42.059 0.018 0.000 1.209 212 L HN -0.140 nan 8.230 nan 0.000 0.423 213 S N 4.253 119.876 115.700 -0.128 0.000 2.451 213 S HA 0.764 5.234 4.470 -0.000 0.000 0.301 213 S C -1.031 173.458 174.600 -0.186 0.000 1.116 213 S CA -0.564 57.554 58.200 -0.137 0.000 1.093 213 S CB 1.208 64.311 63.200 -0.162 0.000 1.017 213 S HN 0.501 nan 8.310 nan 0.000 0.482 214 V N 5.717 125.558 119.914 -0.122 0.000 2.357 214 V HA 0.451 4.570 4.120 -0.000 0.000 0.281 214 V C -0.465 175.604 176.094 -0.042 0.000 1.015 214 V CA -0.675 61.563 62.300 -0.103 0.000 0.827 214 V CB 1.332 33.139 31.823 -0.026 0.000 1.018 214 V HN 0.847 nan 8.190 nan 0.000 0.432 215 E N 4.035 124.162 120.200 -0.121 0.000 2.231 215 E HA 0.463 4.813 4.350 -0.000 0.000 0.277 215 E C -0.495 176.176 176.600 0.118 0.000 0.999 215 E CA -0.751 55.649 56.400 0.000 0.000 0.827 215 E CB 2.581 32.294 29.700 0.021 0.000 1.101 215 E HN 0.352 nan 8.360 nan 0.000 0.393 216 I N 2.431 123.055 120.570 0.091 0.000 2.496 216 I HA 0.106 4.276 4.170 -0.000 0.000 0.285 216 I C 0.588 176.828 176.117 0.205 0.000 1.080 216 I CA -0.003 61.363 61.300 0.110 0.000 1.404 216 I CB 0.294 38.294 38.000 0.001 0.000 1.403 216 I HN 0.427 nan 8.210 nan 0.000 0.539 217 M N 6.035 125.796 119.600 0.268 0.000 2.080 217 M HA 0.425 4.905 4.480 -0.000 0.000 0.350 217 M C 0.384 176.956 176.300 0.454 0.000 1.143 217 M CA -0.393 55.062 55.300 0.257 0.000 1.064 217 M CB 0.695 33.373 32.600 0.130 0.000 1.429 217 M HN 0.700 nan 8.290 nan 0.000 0.418 218 G N 3.519 112.599 108.800 0.465 0.000 2.636 218 G HA2 0.090 4.049 3.960 -0.000 0.000 0.246 218 G HA3 0.090 4.049 3.960 -0.000 0.000 0.246 218 G C 0.746 175.835 174.900 0.315 0.000 1.216 218 G CA -0.602 44.699 45.100 0.336 0.000 0.854 218 G HN 0.993 nan 8.290 nan 0.000 0.572 219 R N -0.217 120.355 120.500 0.120 0.000 2.211 219 R HA -0.086 4.254 4.340 -0.000 0.000 0.240 219 R C 2.016 178.383 176.300 0.111 0.000 1.144 219 R CA 1.559 57.676 56.100 0.029 0.000 0.992 219 R CB -0.576 29.699 30.300 -0.041 0.000 0.869 219 R HN 0.489 nan 8.270 nan 0.000 0.462 220 G N 0.190 109.056 108.800 0.110 0.000 2.484 220 G HA2 -0.120 3.840 3.960 -0.000 0.000 0.218 220 G HA3 -0.120 3.840 3.960 -0.000 0.000 0.218 220 G C 0.021 174.958 174.900 0.062 0.000 1.130 220 G CA 0.075 45.195 45.100 0.035 0.000 0.784 220 G HN 0.262 nan 8.290 nan 0.000 0.543 221 Y N 0.097 120.535 120.300 0.230 0.000 2.326 221 Y HA 0.533 5.083 4.550 -0.000 0.000 0.324 221 Y C 0.592 176.674 175.900 0.303 0.000 1.291 221 Y CA -0.588 57.648 58.100 0.226 0.000 1.348 221 Y CB 1.282 39.859 38.460 0.195 0.000 1.294 221 Y HN 0.102 nan 8.280 nan 0.000 0.525 222 A N 1.717 124.762 122.820 0.375 0.000 2.288 222 A HA 0.451 4.771 4.320 -0.000 0.000 0.320 222 A C -1.904 175.692 177.584 0.021 0.000 1.217 222 A CA -0.438 51.708 52.037 0.182 0.000 0.840 222 A CB 0.038 19.008 19.000 -0.051 0.000 1.179 222 A HN 0.762 nan 8.150 nan 0.000 0.504 223 W N 5.195 126.249 121.300 -0.409 0.000 2.391 223 W HA 0.612 5.272 4.660 -0.001 0.000 0.312 223 W C -1.888 174.329 176.519 -0.504 0.000 1.003 223 W CA -0.922 55.980 57.345 -0.737 0.000 1.375 223 W CB 0.685 29.337 29.460 -1.348 0.000 1.253 223 W HN 0.549 nan 8.180 nan 0.000 0.416 224 L N 5.484 126.204 121.223 -0.838 0.000 2.330 224 L HA 0.558 4.898 4.340 -0.000 0.000 0.271 224 L C -0.344 176.036 176.870 -0.817 0.000 1.013 224 L CA -1.039 53.344 54.840 -0.762 0.000 0.816 224 L CB 1.948 43.686 42.059 -0.535 0.000 1.287 224 L HN 0.441 nan 8.230 nan 0.000 0.435 225 D N -1.644 118.380 120.400 -0.628 0.000 2.619 225 D HA 0.275 4.915 4.640 -0.000 0.000 0.241 225 D C 0.059 176.215 176.300 -0.241 0.000 1.087 225 D CA -0.578 53.170 54.000 -0.420 0.000 0.851 225 D CB 1.913 42.489 40.800 -0.372 0.000 1.474 225 D HN 0.509 nan 8.370 nan 0.000 0.478 226 T N -0.315 114.141 114.554 -0.163 0.000 3.332 226 T HA 0.341 4.691 4.350 -0.000 0.000 0.246 226 T C 1.490 176.140 174.700 -0.084 0.000 0.943 226 T CA -0.224 61.809 62.100 -0.113 0.000 0.922 226 T CB -0.122 68.697 68.868 -0.082 0.000 1.086 226 T HN 0.518 nan 8.240 nan 0.000 0.590 227 G N 1.918 110.660 108.800 -0.097 0.000 2.408 227 G HA2 0.095 4.055 3.960 -0.000 0.000 0.217 227 G HA3 0.095 4.055 3.960 -0.000 0.000 0.217 227 G C 0.821 175.647 174.900 -0.123 0.000 1.150 227 G CA 0.868 45.913 45.100 -0.090 0.000 0.776 227 G HN 0.761 nan 8.290 nan 0.000 0.542 228 T N -4.042 110.437 114.554 -0.125 0.000 2.924 228 T HA 0.441 4.791 4.350 -0.000 0.000 0.291 228 T C 1.020 175.662 174.700 -0.097 0.000 1.045 228 T CA -0.636 61.361 62.100 -0.172 0.000 1.015 228 T CB 1.635 70.425 68.868 -0.130 0.000 1.103 228 T HN 0.130 nan 8.240 nan 0.000 0.496 229 H N 1.148 120.199 119.070 -0.031 0.000 2.321 229 H HA -0.105 4.451 4.556 -0.000 0.000 0.295 229 H C 1.550 176.862 175.328 -0.027 0.000 1.102 229 H CA 2.207 58.241 56.048 -0.023 0.000 1.266 229 H CB -0.318 29.436 29.762 -0.013 0.000 1.363 229 H HN 0.684 nan 8.280 nan 0.000 0.492 230 D N 0.364 120.820 120.400 0.093 0.000 2.084 230 D HA -0.118 4.522 4.640 -0.000 0.000 0.194 230 D C 2.381 178.679 176.300 -0.004 0.000 0.990 230 D CA 1.837 55.858 54.000 0.035 0.000 0.826 230 D CB -0.407 40.403 40.800 0.016 0.000 0.971 230 D HN 0.430 nan 8.370 nan 0.000 0.453 231 S N 0.785 116.465 115.700 -0.034 0.000 2.399 231 S HA -0.147 4.322 4.470 -0.000 0.000 0.231 231 S C 2.011 176.568 174.600 -0.073 0.000 1.022 231 S CA 0.510 58.666 58.200 -0.073 0.000 0.983 231 S CB -0.528 62.606 63.200 -0.110 0.000 0.803 231 S HN 0.152 nan 8.310 nan 0.000 0.480 232 L N 1.110 122.308 121.223 -0.041 0.000 2.046 232 L HA 0.131 4.470 4.340 -0.000 0.000 0.208 232 L C 2.208 179.068 176.870 -0.017 0.000 1.077 232 L CA 1.436 56.257 54.840 -0.031 0.000 0.747 232 L CB -1.075 40.992 42.059 0.013 0.000 0.896 232 L HN 0.386 nan 8.230 nan 0.000 0.432 233 L N -0.323 120.903 121.223 0.004 0.000 2.027 233 L HA -0.176 4.164 4.340 -0.000 0.000 0.206 233 L C 2.411 179.280 176.870 -0.002 0.000 1.074 233 L CA 1.763 56.608 54.840 0.009 0.000 0.745 233 L CB -0.684 41.385 42.059 0.016 0.000 0.898 233 L HN 0.377 nan 8.230 nan 0.000 0.433 234 E N -0.639 119.552 120.200 -0.015 0.000 2.110 234 E HA -0.221 4.129 4.350 -0.000 0.000 0.193 234 E C 2.148 178.741 176.600 -0.011 0.000 0.988 234 E CA 1.086 57.478 56.400 -0.013 0.000 0.804 234 E CB -0.253 29.427 29.700 -0.033 0.000 0.745 234 E HN 0.662 nan 8.360 nan 0.000 0.458 235 A N 0.881 123.664 122.820 -0.062 0.000 1.898 235 A HA -0.083 4.237 4.320 -0.000 0.000 0.216 235 A C 2.400 179.970 177.584 -0.023 0.000 1.181 235 A CA 1.588 53.572 52.037 -0.089 0.000 0.620 235 A CB -1.027 17.866 19.000 -0.179 0.000 0.819 235 A HN 0.372 nan 8.150 nan 0.000 0.442 236 G N -0.839 107.954 108.800 -0.011 0.000 2.440 236 G HA2 -0.275 3.684 3.960 -0.000 0.000 0.218 236 G HA3 -0.275 3.684 3.960 -0.000 0.000 0.218 236 G C 1.628 176.507 174.900 -0.034 0.000 1.154 236 G CA 1.371 46.491 45.100 0.034 0.000 0.767 236 G HN 0.558 nan 8.290 nan 0.000 0.552 237 Q N -0.429 119.354 119.800 -0.030 0.000 2.172 237 Q HA 0.032 4.371 4.340 -0.000 0.000 0.200 237 Q C 2.011 177.949 176.000 -0.104 0.000 0.964 237 Q CA 0.910 56.663 55.803 -0.084 0.000 0.855 237 Q CB -0.514 28.203 28.738 -0.036 0.000 0.918 237 Q HN 0.427 nan 8.270 nan 0.000 0.444 238 F N -0.087 119.765 119.950 -0.163 0.000 2.075 238 F HA -0.189 4.338 4.527 -0.000 0.000 0.297 238 F C 1.647 177.316 175.800 -0.218 0.000 1.113 238 F CA 1.318 59.219 58.000 -0.165 0.000 1.218 238 F CB -0.141 38.772 39.000 -0.146 0.000 0.984 238 F HN 0.104 nan 8.300 nan 0.000 0.472 239 I N 0.581 121.102 120.570 -0.081 0.000 2.179 239 I HA -0.251 3.919 4.170 -0.000 0.000 0.242 239 I C 2.723 178.615 176.117 -0.375 0.000 1.088 239 I CA 1.507 62.701 61.300 -0.177 0.000 1.357 239 I CB -2.051 35.954 38.000 0.009 0.000 1.051 239 I HN 0.237 nan 8.210 nan 0.000 0.409 240 A N 0.098 122.538 122.820 -0.634 0.000 1.972 240 A HA -0.183 4.136 4.320 -0.000 0.000 0.219 240 A C 2.419 179.702 177.584 -0.501 0.000 1.169 240 A CA 2.209 53.641 52.037 -1.008 0.000 0.635 240 A CB -0.943 17.200 19.000 -1.429 0.000 0.810 240 A HN 0.396 nan 8.150 nan 0.000 0.446 241 T N 0.293 114.609 114.554 -0.396 0.000 2.737 241 T HA -0.052 4.298 4.350 -0.000 0.000 0.265 241 T C 1.810 176.337 174.700 -0.290 0.000 1.038 241 T CA 1.365 63.281 62.100 -0.306 0.000 1.144 241 T CB -0.341 68.342 68.868 -0.309 0.000 0.866 241 T HN 0.387 nan 8.240 nan 0.000 0.434 242 L N 0.595 121.597 121.223 -0.369 0.000 2.017 242 L HA -0.121 4.219 4.340 -0.000 0.000 0.208 242 L C 2.734 179.500 176.870 -0.173 0.000 1.073 242 L CA 1.581 56.247 54.840 -0.290 0.000 0.745 242 L CB -0.524 41.297 42.059 -0.395 0.000 0.894 242 L HN 0.338 nan 8.230 nan 0.000 0.432 243 E N -0.133 119.963 120.200 -0.174 0.000 2.072 243 E HA -0.170 4.180 4.350 -0.000 0.000 0.191 243 E C 1.841 178.403 176.600 -0.065 0.000 0.985 243 E CA 0.925 57.272 56.400 -0.089 0.000 0.801 243 E CB -0.000 29.684 29.700 -0.027 0.000 0.750 243 E HN 0.462 nan 8.360 nan 0.000 0.452 244 N N 0.558 119.202 118.700 -0.092 0.000 2.457 244 N HA -0.094 4.646 4.740 -0.000 0.000 0.180 244 N C 1.730 177.213 175.510 -0.045 0.000 1.050 244 N CA 0.529 53.549 53.050 -0.050 0.000 0.906 244 N CB 0.045 38.498 38.487 -0.057 0.000 0.968 244 N HN 0.000 nan 8.380 nan 0.000 0.445 245 R N 1.596 122.057 120.500 -0.065 0.000 2.075 245 R HA 0.083 4.422 4.340 -0.000 0.000 0.226 245 R C 1.759 178.048 176.300 -0.018 0.000 1.114 245 R CA 1.450 57.522 56.100 -0.047 0.000 0.972 245 R CB -0.284 29.976 30.300 -0.068 0.000 0.869 245 R HN 0.252 nan 8.270 nan 0.000 0.437 246 Q N -1.107 118.686 119.800 -0.013 0.000 2.302 246 Q HA 0.200 4.539 4.340 -0.000 0.000 0.202 246 Q C 0.770 176.796 176.000 0.044 0.000 0.936 246 Q CA 0.641 56.457 55.803 0.022 0.000 0.886 246 Q CB 0.432 29.195 28.738 0.041 0.000 0.986 246 Q HN 0.572 nan 8.270 nan 0.000 0.487 247 G N 1.349 110.170 108.800 0.036 0.000 2.179 247 G HA2 -0.272 3.688 3.960 -0.000 0.000 0.257 247 G HA3 -0.272 3.688 3.960 -0.000 0.000 0.257 247 G C -0.112 174.869 174.900 0.136 0.000 1.010 247 G CA 0.333 45.475 45.100 0.069 0.000 0.736 247 G HN 0.201 nan 8.290 nan 0.000 0.513 248 L N -1.253 120.026 121.223 0.094 0.000 2.341 248 L HA 0.672 5.012 4.340 -0.000 0.000 0.267 248 L C 0.365 177.198 176.870 -0.062 0.000 1.009 248 L CA -1.116 53.820 54.840 0.160 0.000 0.819 248 L CB 1.954 44.121 42.059 0.179 0.000 1.323 248 L HN -0.023 nan 8.230 nan 0.000 0.425 249 K N 0.649 120.934 120.400 -0.190 0.000 2.203 249 K HA 0.605 4.925 4.320 -0.000 0.000 0.251 249 K C -1.166 175.431 176.600 -0.004 0.000 0.944 249 K CA -0.757 55.366 56.287 -0.273 0.000 0.829 249 K CB 2.616 34.666 32.500 -0.749 0.000 1.125 249 K HN 0.197 nan 8.250 nan 0.000 0.430 250 V N 1.915 121.868 119.914 0.065 0.000 2.481 250 V HA 0.297 4.417 4.120 -0.000 0.000 0.286 250 V C 0.233 176.413 176.094 0.144 0.000 1.042 250 V CA -0.240 62.174 62.300 0.191 0.000 0.928 250 V CB 1.005 32.955 31.823 0.211 0.000 0.986 250 V HN 1.035 nan 8.190 nan 0.000 0.462 251 A N 3.174 126.091 122.820 0.161 0.000 2.610 251 A HA -0.210 4.110 4.320 -0.000 0.000 0.299 251 A C 0.442 178.019 177.584 -0.011 0.000 1.487 251 A CA 0.725 52.786 52.037 0.040 0.000 0.743 251 A CB -1.768 17.163 19.000 -0.115 0.000 1.070 251 A HN 1.603 nan 8.150 nan 0.000 0.439 252 C N 1.137 120.452 119.300 0.025 0.000 2.203 252 C HA 0.678 5.137 4.460 -0.000 0.000 0.325 252 C C -0.337 174.558 174.990 -0.158 0.000 1.156 252 C CA -1.581 57.450 59.018 0.021 0.000 1.597 252 C CB 0.001 27.759 27.740 0.029 0.000 2.148 252 C HN 0.503 nan 8.230 nan 0.000 0.472 253 P HA -0.134 nan 4.420 nan 0.000 0.216 253 P C 1.171 178.120 177.300 -0.585 0.000 1.150 253 P CA 1.639 64.383 63.100 -0.593 0.000 0.843 253 P CB 0.253 31.225 31.700 -1.212 0.000 0.787 254 E N -0.255 119.556 120.200 -0.648 0.000 2.077 254 E HA -0.216 4.134 4.350 -0.000 0.000 0.193 254 E C 2.067 178.571 176.600 -0.160 0.000 0.989 254 E CA 1.260 57.416 56.400 -0.407 0.000 0.800 254 E CB -0.738 28.815 29.700 -0.245 0.000 0.746 254 E HN 0.449 nan 8.360 nan 0.000 0.452 255 E N 0.658 120.785 120.200 -0.121 0.000 2.051 255 E HA -0.211 4.139 4.350 -0.000 0.000 0.192 255 E C 2.041 178.635 176.600 -0.010 0.000 0.991 255 E CA 1.159 57.544 56.400 -0.024 0.000 0.799 255 E CB -0.165 29.549 29.700 0.023 0.000 0.748 255 E HN 0.252 nan 8.360 nan 0.000 0.449 256 I N 1.118 121.646 120.570 -0.069 0.000 2.226 256 I HA -0.266 3.904 4.170 -0.000 0.000 0.245 256 I C 2.613 178.626 176.117 -0.172 0.000 1.100 256 I CA 1.092 62.329 61.300 -0.105 0.000 1.374 256 I CB -0.318 37.628 38.000 -0.091 0.000 1.057 256 I HN 0.248 nan 8.210 nan 0.000 0.413 257 A N 0.122 122.886 122.820 -0.092 0.000 1.883 257 A HA -0.310 4.009 4.320 -0.000 0.000 0.217 257 A C 2.303 179.872 177.584 -0.024 0.000 1.186 257 A CA 1.892 53.928 52.037 -0.002 0.000 0.624 257 A CB -1.123 17.987 19.000 0.184 0.000 0.822 257 A HN 0.552 nan 8.150 nan 0.000 0.444 258 Y N 0.724 120.966 120.300 -0.097 0.000 2.181 258 Y HA -0.183 4.367 4.550 -0.000 0.000 0.288 258 Y C 2.436 178.259 175.900 -0.128 0.000 1.146 258 Y CA 2.041 60.092 58.100 -0.081 0.000 1.164 258 Y CB -0.281 38.133 38.460 -0.077 0.000 0.982 258 Y HN 0.282 nan 8.280 nan 0.000 0.515 259 R N -0.137 120.245 120.500 -0.198 0.000 2.115 259 R HA -0.113 4.227 4.340 -0.000 0.000 0.230 259 R C 1.895 177.989 176.300 -0.343 0.000 1.111 259 R CA 1.386 57.309 56.100 -0.294 0.000 0.976 259 R CB -0.273 29.937 30.300 -0.151 0.000 0.870 259 R HN 0.474 nan 8.270 nan 0.000 0.445 260 Q N 0.846 120.379 119.800 -0.445 0.000 2.444 260 Q HA 0.021 4.361 4.340 -0.000 0.000 0.206 260 Q C -0.001 175.712 176.000 -0.479 0.000 0.948 260 Q CA 0.333 55.767 55.803 -0.614 0.000 0.946 260 Q CB 0.441 28.415 28.738 -1.273 0.000 1.027 260 Q HN 0.239 nan 8.270 nan 0.000 0.513 261 K N -1.331 118.875 120.400 -0.323 0.000 3.339 261 K HA -0.155 4.164 4.320 -0.000 0.000 0.299 261 K C 0.110 176.771 176.600 0.103 0.000 1.270 261 K CA 0.797 57.007 56.287 -0.128 0.000 0.875 261 K CB -1.852 30.598 32.500 -0.084 0.000 1.298 261 K HN 0.325 nan 8.250 nan 0.000 0.485 262 W N 1.138 122.441 121.300 0.006 0.000 2.678 262 W HA 0.227 4.887 4.660 0.000 0.000 0.256 262 W C 1.473 178.033 176.519 0.069 0.000 1.280 262 W CA 0.444 57.813 57.345 0.039 0.000 1.345 262 W CB -0.240 29.253 29.460 0.055 0.000 1.118 262 W HN 0.299 nan 8.180 nan 0.000 0.629 263 I N -1.381 119.354 120.570 0.275 0.000 2.969 263 I HA 0.483 4.653 4.170 -0.000 0.000 0.307 263 I C -0.585 175.661 176.117 0.214 0.000 1.149 263 I CA -1.215 60.224 61.300 0.231 0.000 1.008 263 I CB 2.119 40.269 38.000 0.250 0.000 1.232 263 I HN -0.294 nan 8.210 nan 0.000 0.435 264 D N 3.025 123.542 120.400 0.196 0.000 2.494 264 D HA 0.576 5.216 4.640 -0.000 0.000 0.259 264 D C 1.069 177.531 176.300 0.270 0.000 1.109 264 D CA -0.309 53.819 54.000 0.214 0.000 1.040 264 D CB 1.238 42.116 40.800 0.131 0.000 1.175 264 D HN 0.698 nan 8.370 nan 0.000 0.584 265 A N 0.084 123.078 122.820 0.291 0.000 1.917 265 A HA -0.076 4.243 4.320 -0.000 0.000 0.219 265 A C 2.159 179.763 177.584 0.034 0.000 1.182 265 A CA 2.986 55.108 52.037 0.142 0.000 0.633 265 A CB -1.507 17.577 19.000 0.141 0.000 0.819 265 A HN 0.714 nan 8.150 nan 0.000 0.448 266 A N -1.146 121.709 122.820 0.058 0.000 1.877 266 A HA -0.234 4.086 4.320 -0.000 0.000 0.216 266 A C 2.125 179.734 177.584 0.041 0.000 1.186 266 A CA 1.893 53.953 52.037 0.038 0.000 0.620 266 A CB -0.629 18.398 19.000 0.044 0.000 0.822 266 A HN 0.620 nan 8.150 nan 0.000 0.443 267 Q N -1.233 118.609 119.800 0.070 0.000 2.096 267 Q HA -0.177 4.162 4.340 -0.000 0.000 0.204 267 Q C 2.049 178.087 176.000 0.063 0.000 0.982 267 Q CA 1.675 57.529 55.803 0.084 0.000 0.850 267 Q CB -0.303 28.511 28.738 0.125 0.000 0.901 267 Q HN 0.605 nan 8.270 nan 0.000 0.422 268 L N 0.611 121.843 121.223 0.016 0.000 2.109 268 L HA -0.131 4.209 4.340 -0.000 0.000 0.207 268 L C 1.969 178.798 176.870 -0.068 0.000 1.086 268 L CA 1.889 56.691 54.840 -0.063 0.000 0.760 268 L CB -0.467 41.432 42.059 -0.267 0.000 0.910 268 L HN 0.167 nan 8.230 nan 0.000 0.437 269 E N -0.168 119.993 120.200 -0.065 0.000 2.058 269 E HA -0.307 4.043 4.350 -0.000 0.000 0.194 269 E C 2.277 178.876 176.600 -0.002 0.000 0.997 269 E CA 1.746 58.119 56.400 -0.045 0.000 0.801 269 E CB -0.188 29.493 29.700 -0.031 0.000 0.746 269 E HN 0.503 nan 8.360 nan 0.000 0.450 270 K N 0.139 120.552 120.400 0.021 0.000 2.148 270 K HA -0.120 4.200 4.320 -0.000 0.000 0.204 270 K C 2.003 178.643 176.600 0.066 0.000 1.050 270 K CA 1.002 57.315 56.287 0.043 0.000 0.942 270 K CB -0.052 32.478 32.500 0.051 0.000 0.724 270 K HN 0.209 nan 8.250 nan 0.000 0.446 271 L N 0.283 121.555 121.223 0.083 0.000 2.217 271 L HA -0.074 4.266 4.340 -0.000 0.000 0.211 271 L C 2.498 179.440 176.870 0.119 0.000 1.107 271 L CA 0.810 55.730 54.840 0.133 0.000 0.783 271 L CB -0.357 41.807 42.059 0.175 0.000 0.919 271 L HN 0.275 nan 8.230 nan 0.000 0.442 272 A N 0.112 122.972 122.820 0.067 0.000 1.874 272 A HA -0.057 4.263 4.320 -0.000 0.000 0.214 272 A C 2.580 180.202 177.584 0.064 0.000 1.189 272 A CA 1.266 53.338 52.037 0.058 0.000 0.615 272 A CB -0.624 18.376 19.000 0.001 0.000 0.830 272 A HN 0.332 nan 8.150 nan 0.000 0.443 273 A N 0.881 123.729 122.820 0.047 0.000 1.882 273 A HA -0.215 4.105 4.320 -0.000 0.000 0.220 273 A C 0.373 177.989 177.584 0.053 0.000 1.253 273 A CA 2.382 54.445 52.037 0.042 0.000 0.664 273 A CB -2.092 16.930 19.000 0.036 0.000 0.838 273 A HN 0.490 nan 8.150 nan 0.000 0.460 274 P HA -0.076 nan 4.420 nan 0.000 0.221 274 P C 0.911 178.254 177.300 0.072 0.000 1.145 274 P CA 0.998 64.135 63.100 0.062 0.000 0.795 274 P CB -0.131 31.610 31.700 0.070 0.000 0.775 275 L N -1.581 119.700 121.223 0.096 0.000 2.667 275 L HA 0.299 4.639 4.340 -0.000 0.000 0.232 275 L C 2.259 179.191 176.870 0.104 0.000 1.138 275 L CA 0.009 54.920 54.840 0.119 0.000 0.921 275 L CB -0.420 41.760 42.059 0.201 0.000 1.180 275 L HN -0.148 nan 8.230 nan 0.000 0.487 276 A N 0.409 123.273 122.820 0.074 0.000 2.070 276 A HA -0.157 4.163 4.320 -0.000 0.000 0.220 276 A C 2.183 179.797 177.584 0.050 0.000 1.159 276 A CA 1.284 53.355 52.037 0.057 0.000 0.656 276 A CB -0.175 18.847 19.000 0.038 0.000 0.800 276 A HN 0.344 nan 8.150 nan 0.000 0.453 277 K N -0.157 120.271 120.400 0.047 0.000 2.432 277 K HA -0.041 4.279 4.320 -0.000 0.000 0.196 277 K C 0.232 176.857 176.600 0.042 0.000 1.038 277 K CA 0.786 57.095 56.287 0.037 0.000 0.986 277 K CB -0.155 32.362 32.500 0.029 0.000 0.782 277 K HN 0.857 nan 8.250 nan 0.000 0.485 278 N N -2.429 116.306 118.700 0.059 0.000 2.457 278 N HA 0.175 4.914 4.740 -0.000 0.000 0.290 278 N C 0.967 176.533 175.510 0.092 0.000 1.232 278 N CA -0.569 52.520 53.050 0.065 0.000 0.852 278 N CB 1.002 39.525 38.487 0.061 0.000 1.313 278 N HN -0.169 nan 8.380 nan 0.000 0.522 279 G N -0.729 108.124 108.800 0.089 0.000 2.475 279 G HA2 -0.321 3.638 3.960 -0.000 0.000 0.220 279 G HA3 -0.321 3.638 3.960 -0.000 0.000 0.220 279 G C 0.910 175.901 174.900 0.152 0.000 1.125 279 G CA 0.785 45.945 45.100 0.100 0.000 0.755 279 G HN 0.656 nan 8.290 nan 0.000 0.565 280 Y N 1.645 121.974 120.300 0.047 0.000 2.200 280 Y HA 0.010 4.560 4.550 -0.000 0.000 0.290 280 Y C 2.804 178.778 175.900 0.123 0.000 1.137 280 Y CA 1.582 59.729 58.100 0.079 0.000 1.163 280 Y CB -0.330 38.161 38.460 0.051 0.000 0.988 280 Y HN 0.143 nan 8.280 nan 0.000 0.518 281 G N -0.674 108.270 108.800 0.241 0.000 2.404 281 G HA2 -0.267 3.693 3.960 -0.000 0.000 0.215 281 G HA3 -0.267 3.693 3.960 -0.000 0.000 0.215 281 G C 1.421 176.360 174.900 0.066 0.000 1.174 281 G CA 0.891 46.077 45.100 0.143 0.000 0.780 281 G HN 0.434 nan 8.290 nan 0.000 0.537 282 Q N -0.969 118.877 119.800 0.076 0.000 2.096 282 Q HA -0.187 4.153 4.340 -0.000 0.000 0.204 282 Q C 2.202 178.222 176.000 0.034 0.000 0.982 282 Q CA 1.692 57.522 55.803 0.046 0.000 0.850 282 Q CB -0.362 28.410 28.738 0.057 0.000 0.901 282 Q HN 0.655 nan 8.270 nan 0.000 0.422 283 Y N 0.890 121.140 120.300 -0.083 0.000 2.145 283 Y HA -0.232 4.318 4.550 -0.001 0.000 0.286 283 Y C 1.702 177.504 175.900 -0.162 0.000 1.145 283 Y CA 1.426 59.449 58.100 -0.128 0.000 1.148 283 Y CB -0.144 38.208 38.460 -0.180 0.000 0.981 283 Y HN 0.032 nan 8.280 nan 0.000 0.507 284 L N 0.087 121.210 121.223 -0.167 0.000 2.042 284 L HA -0.269 4.070 4.340 -0.000 0.000 0.210 284 L C 2.471 179.180 176.870 -0.269 0.000 1.076 284 L CA 1.823 56.506 54.840 -0.262 0.000 0.749 284 L CB -0.605 41.373 42.059 -0.134 0.000 0.893 284 L HN 0.192 nan 8.230 nan 0.000 0.432 285 K N -0.111 120.188 120.400 -0.169 0.000 2.057 285 K HA -0.214 4.106 4.320 -0.000 0.000 0.207 285 K C 2.245 178.736 176.600 -0.181 0.000 1.049 285 K CA 1.315 57.513 56.287 -0.148 0.000 0.931 285 K CB -0.183 32.269 32.500 -0.081 0.000 0.714 285 K HN 0.167 nan 8.250 nan 0.000 0.440 286 R N 1.424 121.810 120.500 -0.190 0.000 2.127 286 R HA -0.089 4.251 4.340 -0.000 0.000 0.238 286 R C 2.066 178.222 176.300 -0.240 0.000 1.134 286 R CA 0.978 56.970 56.100 -0.181 0.000 0.975 286 R CB -0.229 29.985 30.300 -0.143 0.000 0.865 286 R HN 0.138 nan 8.270 nan 0.000 0.447 287 L N 0.704 121.707 121.223 -0.367 0.000 2.261 287 L HA -0.181 4.158 4.340 -0.000 0.000 0.216 287 L C 2.013 178.735 176.870 -0.245 0.000 1.114 287 L CA 0.895 55.534 54.840 -0.335 0.000 0.777 287 L CB -0.340 41.465 42.059 -0.423 0.000 0.910 287 L HN 0.329 nan 8.230 nan 0.000 0.440 288 L N -0.494 120.575 121.223 -0.256 0.000 2.478 288 L HA -0.071 4.269 4.340 -0.000 0.000 0.223 288 L C 1.865 178.679 176.870 -0.093 0.000 1.140 288 L CA 1.270 55.992 54.840 -0.196 0.000 0.842 288 L CB -0.363 41.583 42.059 -0.188 0.000 0.953 288 L HN 0.409 nan 8.230 nan 0.000 0.452 289 T N -4.975 109.523 114.554 -0.094 0.000 3.231 289 T HA 0.188 4.538 4.350 -0.000 0.000 0.292 289 T C 0.104 174.768 174.700 -0.059 0.000 1.001 289 T CA -0.454 61.610 62.100 -0.060 0.000 0.920 289 T CB 0.344 69.179 68.868 -0.055 0.000 1.140 289 T HN 0.149 nan 8.240 nan 0.000 0.525 290 E N 1.267 121.420 120.200 -0.077 0.000 2.248 290 E HA 0.438 4.787 4.350 -0.000 0.000 0.267 290 E C -1.176 175.361 176.600 -0.105 0.000 0.877 290 E CA -0.591 55.761 56.400 -0.079 0.000 0.759 290 E CB 1.805 31.454 29.700 -0.085 0.000 1.182 290 E HN 0.177 nan 8.360 nan 0.000 0.418 291 T N 2.620 117.092 114.554 -0.138 0.000 2.761 291 T HA 0.265 4.615 4.350 -0.000 0.000 0.296 291 T C -0.382 174.086 174.700 -0.386 0.000 0.934 291 T CA -0.410 61.531 62.100 -0.265 0.000 1.091 291 T CB 0.814 69.488 68.868 -0.323 0.000 0.896 291 T HN 0.172 nan 8.240 nan 0.000 0.515 292 V N 4.966 124.666 119.914 -0.357 0.000 2.378 292 V HA 0.343 4.463 4.120 -0.000 0.000 0.288 292 V C -0.546 175.352 176.094 -0.327 0.000 1.016 292 V CA -1.017 61.120 62.300 -0.273 0.000 0.840 292 V CB 0.264 32.029 31.823 -0.096 0.000 0.994 292 V HN 0.787 nan 8.190 nan 0.000 0.431 293 Y N 0.000 120.309 120.300 0.015 0.000 2.660 293 Y HA 0.000 4.550 4.550 -0.000 0.000 0.201 293 Y CA 0.000 58.107 58.100 0.011 0.000 1.940 293 Y CB 0.000 38.465 38.460 0.008 0.000 1.050 293 Y HN 0.000 nan 8.280 nan 0.000 0.758