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 2z3b_1_I DATA FIRST_RESID 1 DATA SEQUENCE SSFHATTIFA VQHKGRSAMS GDGQVTFGQA VVMKHTARKV RKLFNGKVLA DATA SEQUENCE GFAGSVADAF TLFEKFEAKL EEYNGNLKRA AVELAKEWRS DKVLRKLEAM DATA SEQUENCE LIVMNQDTLL LVSGTGEVIE PDDGILAIGS GGNYALAAGR ALKKHAGESM DATA SEQUENCE SASEIARAAL ETAGEICVYT NDQIILEELE VARS RESID RESNAME ATOMNAME SS_SHIFT SHIFT RC_SHIFT HM_SHIFT EF_SHIFT SIGMA FORMAT %4d %4s %4s %9.3f %9.3f %9.3f %9.3f %9.3f %9.3f 1 S HA 0.000 nan 4.470 nan 0.000 0.327 1 S C 0.000 174.576 174.600 -0.040 0.000 1.055 1 S CA 0.000 58.215 58.200 0.026 0.000 1.107 1 S CB 0.000 63.263 63.200 0.105 0.000 0.593 2 S N 0.569 116.258 115.700 -0.019 0.000 2.603 2 S HA 0.266 4.736 4.470 0.001 0.000 0.229 2 S C -0.286 174.179 174.600 -0.224 0.000 0.972 2 S CA 0.350 58.450 58.200 -0.168 0.000 0.935 2 S CB -0.691 62.440 63.200 -0.115 0.000 0.769 2 S HN 0.483 nan 8.310 nan 0.000 0.536 3 F N 2.350 122.320 119.950 0.034 0.000 2.385 3 F HA 0.291 4.818 4.527 0.000 0.000 0.360 3 F C 0.991 176.729 175.800 -0.103 0.000 1.122 3 F CA -0.980 57.044 58.000 0.039 0.000 1.090 3 F CB 0.596 39.630 39.000 0.056 0.000 1.150 3 F HN 0.131 nan 8.300 nan 0.000 0.472 4 H N 2.216 121.346 119.070 0.100 0.000 2.815 4 H HA 0.241 4.797 4.556 0.001 0.000 0.350 4 H C 0.207 175.543 175.328 0.013 0.000 1.080 4 H CA -0.232 55.798 56.048 -0.030 0.000 1.433 4 H CB 0.914 30.579 29.762 -0.162 0.000 1.432 4 H HN 0.731 nan 8.280 nan 0.000 0.592 5 A N 3.419 126.277 122.820 0.063 0.000 2.477 5 A HA 0.144 4.464 4.320 0.001 0.000 0.246 5 A C 1.140 178.745 177.584 0.034 0.000 1.078 5 A CA -0.109 51.924 52.037 -0.006 0.000 0.770 5 A CB -0.086 18.880 19.000 -0.057 0.000 1.011 5 A HN 0.819 nan 8.150 nan 0.000 0.494 6 T N 0.196 114.755 114.554 0.009 0.000 2.681 6 T HA 0.424 4.774 4.350 0.001 0.000 0.333 6 T C 0.271 175.000 174.700 0.048 0.000 1.049 6 T CA 0.311 62.435 62.100 0.040 0.000 1.002 6 T CB 0.053 68.937 68.868 0.028 0.000 1.161 6 T HN 0.615 nan 8.240 nan 0.000 0.519 7 T N 1.036 115.632 114.554 0.071 0.000 2.786 7 T HA 0.640 4.991 4.350 0.001 0.000 0.283 7 T C -0.389 174.376 174.700 0.108 0.000 0.992 7 T CA -0.544 61.612 62.100 0.094 0.000 0.954 7 T CB 0.246 69.180 68.868 0.110 0.000 0.934 7 T HN 0.541 nan 8.240 nan 0.000 0.440 8 I N 2.810 123.455 120.570 0.124 0.000 2.689 8 I HA 0.705 4.875 4.170 0.001 0.000 0.299 8 I C -1.240 175.010 176.117 0.221 0.000 1.059 8 I CA -1.191 60.198 61.300 0.149 0.000 1.055 8 I CB 2.448 40.511 38.000 0.105 0.000 1.243 8 I HN 0.612 nan 8.210 nan 0.000 0.425 9 F N 4.251 124.228 119.950 0.044 0.000 2.651 9 F HA 0.735 5.262 4.527 0.001 0.000 0.329 9 F C -1.122 174.701 175.800 0.038 0.000 1.186 9 F CA -0.243 57.779 58.000 0.038 0.000 1.046 9 F CB 1.271 40.293 39.000 0.036 0.000 1.296 9 F HN 0.505 nan 8.300 nan 0.000 0.497 10 A N 4.558 127.116 122.820 -0.437 0.000 2.384 10 A HA 0.947 5.268 4.320 0.001 0.000 0.312 10 A C -1.824 175.475 177.584 -0.476 0.000 1.113 10 A CA -0.787 51.095 52.037 -0.259 0.000 0.779 10 A CB 2.002 20.918 19.000 -0.140 0.000 1.307 10 A HN 1.213 nan 8.150 nan 0.000 0.436 11 V N 0.353 120.175 119.914 -0.154 0.000 3.077 11 V HA 0.556 4.677 4.120 0.001 0.000 0.299 11 V C -1.634 174.475 176.094 0.025 0.000 1.276 11 V CA -0.322 61.932 62.300 -0.077 0.000 0.993 11 V CB 2.249 34.126 31.823 0.090 0.000 1.076 11 V HN 1.051 nan 8.190 nan 0.000 0.434 12 Q N 3.127 122.954 119.800 0.046 0.000 2.321 12 Q HA 0.671 5.011 4.340 0.001 0.000 0.270 12 Q C -1.845 174.253 176.000 0.164 0.000 1.032 12 Q CA -0.624 55.229 55.803 0.083 0.000 0.784 12 Q CB 1.862 30.626 28.738 0.044 0.000 1.264 12 Q HN 0.859 nan 8.270 nan 0.000 0.448 13 H N 2.177 121.262 119.070 0.025 0.000 3.188 13 H HA 0.182 4.738 4.556 0.000 0.000 0.325 13 H C -1.324 174.019 175.328 0.025 0.000 1.033 13 H CA -0.607 55.458 56.048 0.028 0.000 1.443 13 H CB 0.574 30.361 29.762 0.043 0.000 1.968 13 H HN 0.610 nan 8.280 nan 0.000 0.449 14 K N 3.919 124.129 120.400 -0.317 0.000 3.278 14 K HA -0.223 4.097 4.320 0.001 0.000 0.270 14 K C 0.978 177.519 176.600 -0.099 0.000 0.955 14 K CA 1.053 57.189 56.287 -0.252 0.000 0.723 14 K CB -1.533 30.746 32.500 -0.369 0.000 1.382 14 K HN 1.188 nan 8.250 nan 0.000 0.461 15 G N -0.621 108.152 108.800 -0.046 0.000 2.212 15 G HA2 -0.350 3.610 3.960 0.001 0.000 0.266 15 G HA3 -0.350 3.610 3.960 0.001 0.000 0.266 15 G C 0.121 175.026 174.900 0.009 0.000 0.978 15 G CA 0.646 45.738 45.100 -0.013 0.000 0.632 15 G HN 0.286 nan 8.290 nan 0.000 0.537 16 R N 0.284 120.796 120.500 0.020 0.000 2.532 16 R HA 0.759 5.099 4.340 0.001 0.000 0.272 16 R C -0.404 175.933 176.300 0.062 0.000 1.032 16 R CA -0.387 55.739 56.100 0.044 0.000 1.089 16 R CB 1.283 31.618 30.300 0.057 0.000 1.098 16 R HN 0.151 nan 8.270 nan 0.000 0.526 17 S N 0.050 115.785 115.700 0.059 0.000 2.647 17 S HA 0.697 5.167 4.470 0.001 0.000 0.300 17 S C -1.097 173.543 174.600 0.066 0.000 1.129 17 S CA -0.608 57.628 58.200 0.059 0.000 1.029 17 S CB 1.878 65.106 63.200 0.047 0.000 1.007 17 S HN 0.696 nan 8.310 nan 0.000 0.484 18 A N 3.155 126.022 122.820 0.079 0.000 2.413 18 A HA 0.914 5.235 4.320 0.001 0.000 0.307 18 A C -0.925 176.719 177.584 0.099 0.000 1.087 18 A CA -0.739 51.354 52.037 0.092 0.000 0.750 18 A CB 1.569 20.638 19.000 0.115 0.000 1.296 18 A HN 0.798 nan 8.150 nan 0.000 0.423 19 M N 2.551 122.214 119.600 0.104 0.000 2.090 19 M HA 0.391 4.872 4.480 0.001 0.000 0.277 19 M C -0.162 176.221 176.300 0.139 0.000 0.935 19 M CA -0.156 55.216 55.300 0.120 0.000 0.966 19 M CB 1.449 34.098 32.600 0.082 0.000 1.635 19 M HN 0.904 nan 8.290 nan 0.000 0.446 20 S N 2.952 118.769 115.700 0.196 0.000 2.632 20 S HA 0.979 5.450 4.470 0.001 0.000 0.267 20 S C 0.056 174.746 174.600 0.151 0.000 1.276 20 S CA -0.092 58.201 58.200 0.155 0.000 0.998 20 S CB 1.620 64.899 63.200 0.131 0.000 0.953 20 S HN 1.025 nan 8.310 nan 0.000 0.547 21 G N 1.110 109.976 108.800 0.110 0.000 2.617 21 G HA2 0.405 4.365 3.960 0.001 0.000 0.305 21 G HA3 0.405 4.365 3.960 0.001 0.000 0.305 21 G C -1.176 173.771 174.900 0.078 0.000 1.436 21 G CA -0.650 44.511 45.100 0.102 0.000 1.036 21 G HN 0.859 nan 8.290 nan 0.000 0.589 22 D N 0.410 120.853 120.400 0.072 0.000 2.414 22 D HA 0.534 5.174 4.640 0.001 0.000 0.259 22 D C 1.015 177.353 176.300 0.063 0.000 1.269 22 D CA 0.066 54.103 54.000 0.063 0.000 1.028 22 D CB 1.577 42.413 40.800 0.060 0.000 1.093 22 D HN 0.783 nan 8.370 nan 0.000 0.545 23 G N -1.164 107.675 108.800 0.065 0.000 3.969 23 G HA2 0.028 3.988 3.960 0.001 0.000 0.291 23 G HA3 0.028 3.988 3.960 0.001 0.000 0.291 23 G C 0.137 175.074 174.900 0.061 0.000 1.016 23 G CA -0.382 44.755 45.100 0.062 0.000 0.819 23 G HN 0.478 nan 8.290 nan 0.000 0.493 24 Q N 1.076 120.915 119.800 0.066 0.000 2.286 24 Q HA 0.389 4.730 4.340 0.001 0.000 0.267 24 Q C -0.846 175.193 176.000 0.064 0.000 1.028 24 Q CA 0.040 55.877 55.803 0.056 0.000 0.901 24 Q CB 1.185 29.967 28.738 0.073 0.000 1.183 24 Q HN 0.027 nan 8.270 nan 0.000 0.392 25 V N 4.722 124.662 119.914 0.043 0.000 2.326 25 V HA 0.269 4.389 4.120 0.001 0.000 0.281 25 V C -0.430 175.777 176.094 0.188 0.000 1.015 25 V CA -0.567 61.805 62.300 0.120 0.000 0.823 25 V CB 1.583 33.453 31.823 0.079 0.000 1.009 25 V HN 0.789 nan 8.190 nan 0.000 0.436 26 T N 5.763 120.482 114.554 0.276 0.000 2.795 26 T HA 0.571 4.921 4.350 0.001 0.000 0.282 26 T C -0.705 174.229 174.700 0.390 0.000 0.980 26 T CA -0.222 62.062 62.100 0.306 0.000 1.012 26 T CB 1.201 70.247 68.868 0.296 0.000 0.936 26 T HN 0.405 nan 8.240 nan 0.000 0.457 27 F N 2.709 122.685 119.950 0.042 0.000 2.469 27 F HA 0.653 5.180 4.527 0.000 0.000 0.332 27 F C 0.735 176.453 175.800 -0.137 0.000 1.103 27 F CA 0.146 57.961 58.000 -0.309 0.000 0.979 27 F CB 0.574 39.241 39.000 -0.555 0.000 1.137 27 F HN 0.961 nan 8.300 nan 0.000 0.463 28 G N 4.952 113.205 108.800 -0.913 0.000 2.601 28 G HA2 -0.270 3.690 3.960 0.001 0.000 0.252 28 G HA3 -0.270 3.690 3.960 0.001 0.000 0.252 28 G C 0.533 175.358 174.900 -0.125 0.000 1.294 28 G CA 0.262 44.957 45.100 -0.674 0.000 0.912 28 G HN 0.723 nan 8.290 nan 0.000 0.574 29 Q N -0.775 118.985 119.800 -0.067 0.000 2.084 29 Q HA 0.076 4.416 4.340 0.001 0.000 0.202 29 Q C 2.608 178.719 176.000 0.184 0.000 0.978 29 Q CA 2.924 58.795 55.803 0.114 0.000 0.844 29 Q CB -0.158 28.599 28.738 0.032 0.000 0.898 29 Q HN 1.329 nan 8.270 nan 0.000 0.426 30 A N -1.168 121.693 122.820 0.068 0.000 2.591 30 A HA 0.213 4.533 4.320 0.001 0.000 0.204 30 A C 0.128 177.730 177.584 0.031 0.000 1.410 30 A CA -0.238 51.821 52.037 0.036 0.000 1.065 30 A CB 0.886 19.882 19.000 -0.005 0.000 1.362 30 A HN 0.049 nan 8.150 nan 0.000 0.566 31 V N 1.841 121.781 119.914 0.044 0.000 2.432 31 V HA 0.388 4.508 4.120 0.001 0.000 0.275 31 V C -0.122 176.035 176.094 0.106 0.000 1.043 31 V CA -0.485 61.858 62.300 0.072 0.000 0.925 31 V CB 1.334 33.217 31.823 0.100 0.000 0.985 31 V HN 0.141 nan 8.190 nan 0.000 0.466 32 V N 6.534 126.486 119.914 0.063 0.000 2.407 32 V HA 0.317 4.438 4.120 0.001 0.000 0.278 32 V C 0.743 176.820 176.094 -0.029 0.000 1.037 32 V CA -0.290 62.015 62.300 0.008 0.000 0.900 32 V CB 1.458 33.231 31.823 -0.083 0.000 0.983 32 V HN 0.851 nan 8.190 nan 0.000 0.459 33 M N 2.560 122.156 119.600 -0.007 0.000 2.653 33 M HA 0.308 4.788 4.480 0.001 0.000 0.259 33 M C 0.593 176.851 176.300 -0.069 0.000 1.244 33 M CA 0.605 55.914 55.300 0.015 0.000 1.163 33 M CB 0.281 32.958 32.600 0.128 0.000 1.309 33 M HN 0.534 nan 8.290 nan 0.000 0.509 34 K N 0.140 120.459 120.400 -0.135 0.000 2.426 34 K HA 0.344 4.664 4.320 0.001 0.000 0.251 34 K C 0.126 176.550 176.600 -0.293 0.000 0.941 34 K CA -0.383 55.816 56.287 -0.146 0.000 0.808 34 K CB 1.987 34.467 32.500 -0.033 0.000 1.265 34 K HN 0.105 nan 8.250 nan 0.000 0.432 35 H N 0.220 119.317 119.070 0.045 0.000 2.855 35 H HA 0.042 4.598 4.556 0.001 0.000 0.259 35 H C 0.418 175.766 175.328 0.034 0.000 0.972 35 H CA 0.593 56.665 56.048 0.040 0.000 1.213 35 H CB 1.096 30.877 29.762 0.031 0.000 1.451 35 H HN 0.644 nan 8.280 nan 0.000 0.484 36 T N -0.942 113.701 114.554 0.147 0.000 3.269 36 T HA 0.588 4.939 4.350 0.001 0.000 0.269 36 T C 0.596 175.334 174.700 0.064 0.000 0.993 36 T CA -0.429 61.728 62.100 0.096 0.000 0.909 36 T CB -0.173 68.746 68.868 0.085 0.000 1.115 36 T HN 0.282 nan 8.240 nan 0.000 0.543 37 A N 1.685 124.535 122.820 0.051 0.000 2.462 37 A HA 0.545 4.865 4.320 0.001 0.000 0.243 37 A C 0.541 178.148 177.584 0.039 0.000 1.076 37 A CA -0.665 51.390 52.037 0.029 0.000 0.773 37 A CB 0.170 19.174 19.000 0.007 0.000 1.010 37 A HN 0.633 nan 8.150 nan 0.000 0.493 38 R N 2.190 122.714 120.500 0.039 0.000 2.280 38 R HA 0.250 4.590 4.340 0.001 0.000 0.326 38 R C -0.294 176.048 176.300 0.071 0.000 1.080 38 R CA -0.435 55.702 56.100 0.062 0.000 1.002 38 R CB 0.238 30.583 30.300 0.075 0.000 1.136 38 R HN 0.611 nan 8.270 nan 0.000 0.509 39 K N 2.628 123.075 120.400 0.079 0.000 2.372 39 K HA 0.177 4.497 4.320 0.001 0.000 0.200 39 K C -0.476 176.230 176.600 0.178 0.000 1.022 39 K CA 0.064 56.410 56.287 0.099 0.000 1.125 39 K CB 1.172 33.698 32.500 0.043 0.000 0.855 39 K HN 0.258 nan 8.250 nan 0.000 0.524 40 V N 1.379 121.391 119.914 0.163 0.000 2.483 40 V HA 0.392 4.513 4.120 0.001 0.000 0.297 40 V C -0.259 175.920 176.094 0.142 0.000 1.027 40 V CA -0.780 61.615 62.300 0.159 0.000 0.855 40 V CB 2.109 34.002 31.823 0.117 0.000 0.995 40 V HN 0.100 nan 8.190 nan 0.000 0.424 41 R N 2.757 123.325 120.500 0.114 0.000 2.950 41 R HA 0.670 5.010 4.340 0.001 0.000 0.253 41 R C -0.971 175.328 176.300 -0.002 0.000 1.168 41 R CA -0.993 55.153 56.100 0.075 0.000 1.014 41 R CB 2.056 32.441 30.300 0.142 0.000 1.228 41 R HN 0.490 nan 8.270 nan 0.000 0.487 42 K N 1.501 121.908 120.400 0.012 0.000 2.339 42 K HA 0.377 4.697 4.320 0.001 0.000 0.264 42 K C -1.206 175.397 176.600 0.006 0.000 0.986 42 K CA -0.660 55.633 56.287 0.010 0.000 0.866 42 K CB 1.279 33.797 32.500 0.031 0.000 1.103 42 K HN 0.076 nan 8.250 nan 0.000 0.441 43 L N 2.385 123.614 121.223 0.009 0.000 2.334 43 L HA 0.455 4.796 4.340 0.001 0.000 0.270 43 L C 0.155 177.137 176.870 0.186 0.000 1.018 43 L CA -0.348 54.527 54.840 0.057 0.000 0.811 43 L CB 0.059 42.125 42.059 0.011 0.000 1.271 43 L HN 0.640 nan 8.230 nan 0.000 0.443 44 F N 3.382 123.313 119.950 -0.031 0.000 3.006 44 F HA -0.280 4.247 4.527 0.001 0.000 0.318 44 F C 0.626 176.411 175.800 -0.024 0.000 0.936 44 F CA 0.319 58.298 58.000 -0.035 0.000 1.151 44 F CB -1.343 37.632 39.000 -0.042 0.000 1.212 44 F HN 0.807 nan 8.300 nan 0.000 0.687 45 N N -0.630 118.027 118.700 -0.073 0.000 2.725 45 N HA -0.182 4.558 4.740 0.001 0.000 0.249 45 N C 1.071 176.539 175.510 -0.070 0.000 1.103 45 N CA 2.014 54.993 53.050 -0.118 0.000 0.707 45 N CB -1.585 36.764 38.487 -0.231 0.000 1.043 45 N HN 1.894 nan 8.380 nan 0.000 0.553 46 G N -0.894 107.903 108.800 -0.005 0.000 2.143 46 G HA2 -0.383 3.577 3.960 0.001 0.000 0.248 46 G HA3 -0.383 3.577 3.960 0.001 0.000 0.248 46 G C 0.797 175.715 174.900 0.030 0.000 0.991 46 G CA 0.879 45.988 45.100 0.014 0.000 0.689 46 G HN 0.557 nan 8.290 nan 0.000 0.522 47 K N -0.697 119.738 120.400 0.058 0.000 2.356 47 K HA 0.390 4.710 4.320 0.001 0.000 0.195 47 K C 0.996 177.683 176.600 0.143 0.000 1.037 47 K CA 1.002 57.347 56.287 0.096 0.000 1.014 47 K CB 0.976 33.539 32.500 0.106 0.000 0.815 47 K HN 0.880 nan 8.250 nan 0.000 0.507 48 V N -0.626 119.381 119.914 0.156 0.000 2.789 48 V HA 0.467 4.588 4.120 0.001 0.000 0.311 48 V C -1.166 174.968 176.094 0.067 0.000 1.073 48 V CA -1.110 61.264 62.300 0.124 0.000 0.921 48 V CB 1.620 33.544 31.823 0.167 0.000 1.009 48 V HN -0.036 nan 8.190 nan 0.000 0.426 49 L N 5.418 126.667 121.223 0.044 0.000 2.265 49 L HA 0.867 5.207 4.340 0.001 0.000 0.289 49 L C 0.490 177.347 176.870 -0.022 0.000 1.033 49 L CA -0.378 54.470 54.840 0.014 0.000 0.814 49 L CB 1.327 43.406 42.059 0.033 0.000 1.203 49 L HN 0.941 nan 8.230 nan 0.000 0.423 50 A N 2.472 125.232 122.820 -0.100 0.000 2.330 50 A HA 0.867 5.187 4.320 0.001 0.000 0.327 50 A C 0.053 177.645 177.584 0.013 0.000 1.155 50 A CA -0.416 51.521 52.037 -0.166 0.000 0.803 50 A CB 1.486 20.128 19.000 -0.598 0.000 1.208 50 A HN 0.749 nan 8.150 nan 0.000 0.477 51 G N 0.599 109.494 108.800 0.158 0.000 2.760 51 G HA2 0.554 4.514 3.960 0.001 0.000 0.285 51 G HA3 0.554 4.514 3.960 0.001 0.000 0.285 51 G C -1.535 173.579 174.900 0.356 0.000 1.496 51 G CA -0.237 45.013 45.100 0.250 0.000 1.026 51 G HN 0.770 nan 8.290 nan 0.000 0.536 52 F N 2.954 123.035 119.950 0.217 0.000 2.561 52 F HA 0.637 5.164 4.527 0.001 0.000 0.313 52 F C 0.504 176.322 175.800 0.030 0.000 1.126 52 F CA -0.873 57.188 58.000 0.102 0.000 0.918 52 F CB 2.504 41.508 39.000 0.007 0.000 1.199 52 F HN 0.529 nan 8.300 nan 0.000 0.444 53 A N 3.951 126.367 122.820 -0.674 0.000 2.267 53 A HA 0.466 4.786 4.320 0.001 0.000 0.213 53 A C 1.168 178.420 177.584 -0.555 0.000 1.192 53 A CA 0.501 52.276 52.037 -0.436 0.000 0.851 53 A CB -0.844 18.012 19.000 -0.239 0.000 0.881 53 A HN 0.902 nan 8.150 nan 0.000 0.494 54 G N 0.227 108.354 108.800 -1.121 0.000 2.514 54 G HA2 0.351 4.311 3.960 0.001 0.000 0.245 54 G HA3 0.351 4.311 3.960 0.001 0.000 0.245 54 G C 0.654 175.420 174.900 -0.224 0.000 1.488 54 G CA 0.466 45.224 45.100 -0.569 0.000 1.063 54 G HN 0.740 nan 8.290 nan 0.000 0.557 55 S N -1.262 114.408 115.700 -0.050 0.000 2.614 55 S HA 0.195 4.665 4.470 0.001 0.000 0.265 55 S C 1.620 176.144 174.600 -0.127 0.000 1.303 55 S CA 0.093 58.228 58.200 -0.108 0.000 1.000 55 S CB 1.423 64.564 63.200 -0.098 0.000 0.935 55 S HN 1.381 nan 8.310 nan 0.000 0.551 56 V N -0.686 119.076 119.914 -0.252 0.000 2.453 56 V HA 0.080 4.200 4.120 0.001 0.000 0.247 56 V C 2.580 178.393 176.094 -0.469 0.000 1.048 56 V CA 1.545 63.570 62.300 -0.459 0.000 1.049 56 V CB -1.925 29.602 31.823 -0.494 0.000 0.672 56 V HN 1.034 nan 8.190 nan 0.000 0.457 57 A N 0.972 123.645 122.820 -0.245 0.000 1.873 57 A HA -0.267 4.053 4.320 0.001 0.000 0.218 57 A C 1.971 179.458 177.584 -0.163 0.000 1.193 57 A CA 2.336 54.289 52.037 -0.140 0.000 0.629 57 A CB -1.016 17.939 19.000 -0.076 0.000 0.826 57 A HN 0.611 nan 8.150 nan 0.000 0.447 58 D N -0.009 120.294 120.400 -0.161 0.000 2.117 58 D HA -0.052 4.588 4.640 0.001 0.000 0.197 58 D C 2.271 178.244 176.300 -0.546 0.000 0.987 58 D CA 1.472 55.324 54.000 -0.248 0.000 0.829 58 D CB -0.592 40.176 40.800 -0.053 0.000 0.961 58 D HN 0.432 nan 8.370 nan 0.000 0.460 59 A N 0.863 123.362 122.820 -0.536 0.000 1.892 59 A HA -0.220 4.100 4.320 0.001 0.000 0.218 59 A C 2.042 179.105 177.584 -0.868 0.000 1.188 59 A CA 1.320 52.795 52.037 -0.936 0.000 0.631 59 A CB -0.905 17.662 19.000 -0.723 0.000 0.822 59 A HN 0.118 nan 8.150 nan 0.000 0.447 60 F N 0.183 119.863 119.950 -0.450 0.000 2.163 60 F HA -0.040 4.488 4.527 0.000 0.000 0.297 60 F C 2.798 178.481 175.800 -0.194 0.000 1.094 60 F CA 1.314 59.173 58.000 -0.234 0.000 1.290 60 F CB -1.474 37.458 39.000 -0.113 0.000 1.017 60 F HN 0.140 nan 8.300 nan 0.000 0.483 61 T N 0.663 115.190 114.554 -0.046 0.000 2.759 61 T HA -0.150 4.200 4.350 0.001 0.000 0.269 61 T C 2.292 176.891 174.700 -0.168 0.000 1.042 61 T CA 1.147 63.186 62.100 -0.102 0.000 1.140 61 T CB -0.367 68.416 68.868 -0.142 0.000 0.864 61 T HN 0.139 nan 8.240 nan 0.000 0.455 62 L N -0.660 120.366 121.223 -0.329 0.000 2.162 62 L HA 0.100 4.440 4.340 0.001 0.000 0.205 62 L C 2.224 179.090 176.870 -0.006 0.000 1.086 62 L CA 0.621 55.236 54.840 -0.374 0.000 0.778 62 L CB -0.293 41.277 42.059 -0.814 0.000 0.928 62 L HN 0.198 nan 8.230 nan 0.000 0.446 63 F N 0.857 120.743 119.950 -0.107 0.000 2.146 63 F HA -0.151 4.377 4.527 0.000 0.000 0.298 63 F C 2.542 178.383 175.800 0.067 0.000 1.096 63 F CA 0.914 58.937 58.000 0.038 0.000 1.275 63 F CB -0.773 38.297 39.000 0.116 0.000 1.008 63 F HN 0.145 nan 8.300 nan 0.000 0.480 64 E N 0.120 120.445 120.200 0.207 0.000 2.051 64 E HA -0.207 4.143 4.350 0.001 0.000 0.192 64 E C 2.139 178.775 176.600 0.060 0.000 0.991 64 E CA 1.128 57.582 56.400 0.090 0.000 0.799 64 E CB -0.146 29.573 29.700 0.032 0.000 0.748 64 E HN 0.334 nan 8.360 nan 0.000 0.449 65 K N -0.068 120.363 120.400 0.051 0.000 2.148 65 K HA -0.110 4.211 4.320 0.001 0.000 0.204 65 K C 1.839 178.492 176.600 0.088 0.000 1.050 65 K CA 0.790 57.098 56.287 0.035 0.000 0.942 65 K CB -0.094 32.405 32.500 -0.002 0.000 0.724 65 K HN 0.097 nan 8.250 nan 0.000 0.446 66 F N 1.438 121.373 119.950 -0.026 0.000 2.234 66 F HA -0.119 4.408 4.527 0.000 0.000 0.296 66 F C 2.192 177.953 175.800 -0.066 0.000 1.089 66 F CA 1.068 59.051 58.000 -0.029 0.000 1.343 66 F CB 0.248 39.241 39.000 -0.012 0.000 1.040 66 F HN -0.010 nan 8.300 nan 0.000 0.498 67 E N 0.274 120.427 120.200 -0.078 0.000 2.150 67 E HA -0.162 4.188 4.350 0.001 0.000 0.193 67 E C 2.055 178.527 176.600 -0.213 0.000 0.985 67 E CA 1.021 57.307 56.400 -0.190 0.000 0.814 67 E CB -0.135 29.552 29.700 -0.022 0.000 0.752 67 E HN 0.450 nan 8.360 nan 0.000 0.466 68 A N 0.384 123.123 122.820 -0.135 0.000 2.067 68 A HA -0.060 4.260 4.320 0.001 0.000 0.217 68 A C 1.778 179.259 177.584 -0.172 0.000 1.156 68 A CA 0.648 52.612 52.037 -0.122 0.000 0.683 68 A CB -0.069 18.889 19.000 -0.070 0.000 0.808 68 A HN -0.009 nan 8.150 nan 0.000 0.455 69 K N 0.140 120.426 120.400 -0.189 0.000 2.103 69 K HA 0.098 4.419 4.320 0.001 0.000 0.204 69 K C 1.737 178.192 176.600 -0.242 0.000 1.052 69 K CA 0.736 56.930 56.287 -0.154 0.000 0.945 69 K CB -0.615 31.859 32.500 -0.043 0.000 0.722 69 K HN 0.509 nan 8.250 nan 0.000 0.443 70 L N 1.058 121.996 121.223 -0.475 0.000 2.141 70 L HA -0.126 4.214 4.340 0.001 0.000 0.209 70 L C 2.272 178.898 176.870 -0.408 0.000 1.094 70 L CA 1.125 55.597 54.840 -0.614 0.000 0.763 70 L CB -0.198 41.178 42.059 -1.138 0.000 0.908 70 L HN 0.241 nan 8.230 nan 0.000 0.437 71 E N -0.228 119.812 120.200 -0.267 0.000 2.076 71 E HA -0.234 4.116 4.350 0.001 0.000 0.190 71 E C 1.921 178.442 176.600 -0.132 0.000 0.979 71 E CA 0.717 57.064 56.400 -0.089 0.000 0.807 71 E CB 0.068 29.750 29.700 -0.029 0.000 0.761 71 E HN 0.454 nan 8.360 nan 0.000 0.454 72 E N 0.054 120.107 120.200 -0.246 0.000 2.153 72 E HA -0.171 4.179 4.350 0.001 0.000 0.194 72 E C 0.458 176.797 176.600 -0.436 0.000 0.988 72 E CA 0.993 57.151 56.400 -0.402 0.000 0.811 72 E CB 0.127 29.449 29.700 -0.630 0.000 0.746 72 E HN 0.334 nan 8.360 nan 0.000 0.466 73 Y N -0.161 120.086 120.300 -0.089 0.000 2.720 73 Y HA 0.291 4.841 4.550 0.001 0.000 0.268 73 Y C 0.009 175.872 175.900 -0.063 0.000 1.142 73 Y CA -0.639 57.418 58.100 -0.072 0.000 1.193 73 Y CB 0.399 38.809 38.460 -0.083 0.000 1.176 73 Y HN -0.037 nan 8.280 nan 0.000 0.542 74 N N 0.477 119.211 118.700 0.057 0.000 2.725 74 N HA -0.225 4.515 4.740 0.001 0.000 0.249 74 N C 1.219 176.789 175.510 0.100 0.000 1.103 74 N CA 0.949 54.048 53.050 0.081 0.000 0.707 74 N CB -1.251 37.281 38.487 0.076 0.000 1.043 74 N HN 0.841 nan 8.380 nan 0.000 0.553 75 G N 0.039 108.848 108.800 0.015 0.000 2.179 75 G HA2 -0.348 3.612 3.960 0.001 0.000 0.260 75 G HA3 -0.348 3.612 3.960 0.001 0.000 0.260 75 G C 0.024 174.911 174.900 -0.022 0.000 0.977 75 G CA 0.293 45.386 45.100 -0.012 0.000 0.641 75 G HN 0.548 nan 8.290 nan 0.000 0.533 76 N N 0.948 119.647 118.700 -0.002 0.000 2.412 76 N HA 0.208 4.948 4.740 0.001 0.000 0.279 76 N C 1.560 177.049 175.510 -0.034 0.000 1.287 76 N CA 0.361 53.408 53.050 -0.005 0.000 0.948 76 N CB 0.517 39.001 38.487 -0.005 0.000 1.255 76 N HN 0.338 nan 8.380 nan 0.000 0.485 77 L N 5.565 126.785 121.223 -0.006 0.000 1.994 77 L HA -0.137 4.203 4.340 0.001 0.000 0.208 77 L C 2.096 179.011 176.870 0.075 0.000 1.071 77 L CA 1.761 56.627 54.840 0.043 0.000 0.745 77 L CB -0.302 41.813 42.059 0.093 0.000 0.892 77 L HN 0.507 nan 8.230 nan 0.000 0.431 78 K N -0.948 119.475 120.400 0.038 0.000 2.034 78 K HA -0.231 4.090 4.320 0.001 0.000 0.214 78 K C 2.275 178.864 176.600 -0.018 0.000 1.051 78 K CA 1.650 57.949 56.287 0.020 0.000 0.931 78 K CB -0.281 32.216 32.500 -0.005 0.000 0.715 78 K HN 0.224 nan 8.250 nan 0.000 0.446 79 R N 0.220 120.663 120.500 -0.095 0.000 2.083 79 R HA -0.114 4.227 4.340 0.001 0.000 0.237 79 R C 2.316 178.507 176.300 -0.182 0.000 1.137 79 R CA 1.580 57.535 56.100 -0.243 0.000 0.951 79 R CB -0.874 29.137 30.300 -0.481 0.000 0.851 79 R HN 0.288 nan 8.270 nan 0.000 0.434 80 A N 0.850 123.635 122.820 -0.058 0.000 1.908 80 A HA -0.110 4.211 4.320 0.001 0.000 0.218 80 A C 2.367 180.092 177.584 0.235 0.000 1.181 80 A CA 2.012 54.090 52.037 0.067 0.000 0.627 80 A CB -0.559 18.352 19.000 -0.148 0.000 0.818 80 A HN 0.388 nan 8.150 nan 0.000 0.445 81 A N -0.801 122.199 122.820 0.301 0.000 1.897 81 A HA 0.067 4.387 4.320 0.001 0.000 0.215 81 A C 2.212 179.900 177.584 0.173 0.000 1.181 81 A CA 1.560 53.788 52.037 0.318 0.000 0.620 81 A CB -0.852 18.275 19.000 0.212 0.000 0.821 81 A HN 0.360 nan 8.150 nan 0.000 0.443 82 V N 0.358 120.328 119.914 0.092 0.000 2.343 82 V HA -0.217 3.904 4.120 0.001 0.000 0.247 82 V C 2.589 178.726 176.094 0.072 0.000 1.051 82 V CA 2.183 64.513 62.300 0.050 0.000 1.036 82 V CB -0.601 31.217 31.823 -0.008 0.000 0.654 82 V HN 0.527 nan 8.190 nan 0.000 0.451 83 E N -0.419 119.830 120.200 0.082 0.000 2.072 83 E HA -0.166 4.184 4.350 0.001 0.000 0.190 83 E C 2.134 178.829 176.600 0.159 0.000 0.982 83 E CA 0.909 57.379 56.400 0.116 0.000 0.803 83 E CB -0.428 29.377 29.700 0.175 0.000 0.755 83 E HN 0.447 nan 8.360 nan 0.000 0.453 84 L N 1.322 122.670 121.223 0.208 0.000 2.043 84 L HA -0.208 4.132 4.340 0.001 0.000 0.212 84 L C 2.255 179.281 176.870 0.261 0.000 1.075 84 L CA 2.215 57.197 54.840 0.236 0.000 0.752 84 L CB -0.669 41.574 42.059 0.306 0.000 0.891 84 L HN 0.064 nan 8.230 nan 0.000 0.432 85 A N -0.950 122.007 122.820 0.229 0.000 1.933 85 A HA -0.245 4.076 4.320 0.001 0.000 0.218 85 A C 2.326 179.996 177.584 0.143 0.000 1.175 85 A CA 2.005 54.159 52.037 0.195 0.000 0.628 85 A CB -0.504 18.556 19.000 0.100 0.000 0.814 85 A HN 0.533 nan 8.150 nan 0.000 0.444 86 K N -0.744 119.725 120.400 0.116 0.000 2.026 86 K HA -0.173 4.148 4.320 0.001 0.000 0.208 86 K C 2.149 178.818 176.600 0.114 0.000 1.048 86 K CA 1.579 57.919 56.287 0.089 0.000 0.929 86 K CB -0.134 32.409 32.500 0.072 0.000 0.713 86 K HN 0.692 nan 8.250 nan 0.000 0.439 87 E N -0.042 120.244 120.200 0.143 0.000 2.106 87 E HA -0.199 4.152 4.350 0.001 0.000 0.192 87 E C 1.760 178.482 176.600 0.202 0.000 0.984 87 E CA 0.752 57.235 56.400 0.139 0.000 0.806 87 E CB -0.021 29.749 29.700 0.117 0.000 0.750 87 E HN 0.348 nan 8.360 nan 0.000 0.458 88 W N 2.483 123.796 121.300 0.020 0.000 2.378 88 W HA -0.158 4.502 4.660 -0.000 0.000 0.313 88 W C 2.239 178.764 176.519 0.010 0.000 1.197 88 W CA 1.965 59.316 57.345 0.010 0.000 1.304 88 W CB -0.614 28.849 29.460 0.005 0.000 1.148 88 W HN 0.073 nan 8.180 nan 0.000 0.494 89 R N 1.006 121.601 120.500 0.157 0.000 2.237 89 R HA -0.088 4.252 4.340 0.001 0.000 0.219 89 R C 2.054 178.385 176.300 0.053 0.000 1.080 89 R CA 2.213 58.322 56.100 0.016 0.000 0.995 89 R CB -1.108 29.162 30.300 -0.049 0.000 0.875 89 R HN 0.097 nan 8.270 nan 0.000 0.462 90 S N -0.925 114.826 115.700 0.086 0.000 2.470 90 S HA -0.029 4.441 4.470 0.001 0.000 0.222 90 S C 0.593 175.237 174.600 0.074 0.000 1.024 90 S CA -0.079 58.160 58.200 0.065 0.000 0.931 90 S CB -0.291 62.944 63.200 0.058 0.000 0.791 90 S HN 0.364 nan 8.310 nan 0.000 0.513 91 D N 2.277 122.742 120.400 0.109 0.000 2.451 91 D HA 0.038 4.678 4.640 0.001 0.000 0.254 91 D C 0.969 177.325 176.300 0.093 0.000 1.204 91 D CA 0.187 54.248 54.000 0.102 0.000 0.896 91 D CB 0.929 41.809 40.800 0.134 0.000 1.136 91 D HN 0.352 nan 8.370 nan 0.000 0.499 92 K N 2.585 123.023 120.400 0.063 0.000 2.032 92 K HA -0.215 4.105 4.320 0.001 0.000 0.218 92 K C 1.722 178.359 176.600 0.062 0.000 1.054 92 K CA 1.833 58.151 56.287 0.051 0.000 0.941 92 K CB 0.065 32.587 32.500 0.037 0.000 0.720 92 K HN 0.346 nan 8.250 nan 0.000 0.449 93 V N 1.002 120.956 119.914 0.066 0.000 2.249 93 V HA -0.208 3.913 4.120 0.001 0.000 0.239 93 V C 2.330 178.492 176.094 0.115 0.000 1.038 93 V CA 1.702 64.045 62.300 0.071 0.000 1.005 93 V CB -0.581 31.273 31.823 0.052 0.000 0.646 93 V HN 0.327 nan 8.190 nan 0.000 0.455 94 L N 0.260 121.571 121.223 0.146 0.000 2.089 94 L HA -0.284 4.056 4.340 0.001 0.000 0.213 94 L C 2.774 179.910 176.870 0.444 0.000 1.079 94 L CA 2.196 57.194 54.840 0.263 0.000 0.758 94 L CB -0.807 41.361 42.059 0.182 0.000 0.891 94 L HN 0.394 nan 8.230 nan 0.000 0.433 95 R N 1.223 121.899 120.500 0.293 0.000 2.174 95 R HA -0.236 4.105 4.340 0.001 0.000 0.253 95 R C 1.842 178.156 176.300 0.023 0.000 1.165 95 R CA 1.846 58.008 56.100 0.104 0.000 0.984 95 R CB -0.102 30.231 30.300 0.056 0.000 0.873 95 R HN 0.356 nan 8.270 nan 0.000 0.456 96 K N 0.206 120.657 120.400 0.086 0.000 2.444 96 K HA 0.126 4.446 4.320 0.001 0.000 0.193 96 K C 0.015 176.658 176.600 0.072 0.000 1.024 96 K CA -0.118 56.199 56.287 0.050 0.000 1.077 96 K CB 0.217 32.747 32.500 0.050 0.000 0.833 96 K HN 0.170 nan 8.250 nan 0.000 0.517 97 L N 1.851 123.169 121.223 0.157 0.000 2.500 97 L HA -0.011 4.329 4.340 0.001 0.000 0.272 97 L C 1.340 178.282 176.870 0.120 0.000 1.149 97 L CA -0.022 54.937 54.840 0.198 0.000 0.897 97 L CB 0.543 42.848 42.059 0.411 0.000 1.178 97 L HN 0.164 nan 8.230 nan 0.000 0.473 98 E N 2.638 122.876 120.200 0.064 0.000 2.070 98 E HA -0.178 4.172 4.350 0.001 0.000 0.197 98 E C 0.878 177.502 176.600 0.039 0.000 1.004 98 E CA 1.311 57.724 56.400 0.021 0.000 0.805 98 E CB 0.114 29.810 29.700 -0.006 0.000 0.744 98 E HN 0.796 nan 8.360 nan 0.000 0.451 99 A N 0.630 123.488 122.820 0.064 0.000 2.407 99 A HA 0.314 4.634 4.320 0.001 0.000 0.248 99 A C 0.013 177.735 177.584 0.229 0.000 1.082 99 A CA 0.180 52.221 52.037 0.006 0.000 0.785 99 A CB 0.321 19.163 19.000 -0.263 0.000 1.020 99 A HN 0.101 nan 8.150 nan 0.000 0.489 100 M N 1.177 120.880 119.600 0.172 0.000 2.821 100 M HA 0.501 4.981 4.480 0.001 0.000 0.304 100 M C -0.640 175.936 176.300 0.459 0.000 1.233 100 M CA -0.500 54.998 55.300 0.330 0.000 0.851 100 M CB 1.683 34.362 32.600 0.131 0.000 1.723 100 M HN 0.576 nan 8.290 nan 0.000 0.493 101 L N 2.000 123.501 121.223 0.462 0.000 2.322 101 L HA 0.604 4.945 4.340 0.001 0.000 0.281 101 L C -1.361 175.613 176.870 0.173 0.000 1.014 101 L CA -0.661 54.402 54.840 0.371 0.000 0.815 101 L CB 1.310 43.541 42.059 0.287 0.000 1.247 101 L HN 0.642 nan 8.230 nan 0.000 0.421 102 I N 5.069 125.715 120.570 0.128 0.000 2.412 102 I HA 0.438 4.608 4.170 0.001 0.000 0.296 102 I C -0.321 175.789 176.117 -0.013 0.000 0.987 102 I CA -0.800 60.525 61.300 0.040 0.000 1.180 102 I CB 1.958 39.976 38.000 0.029 0.000 1.340 102 I HN 0.313 nan 8.210 nan 0.000 0.455 103 V N 4.553 124.432 119.914 -0.058 0.000 2.876 103 V HA 0.809 4.929 4.120 0.001 0.000 0.312 103 V C -0.594 175.501 176.094 0.000 0.000 1.085 103 V CA -0.761 61.494 62.300 -0.076 0.000 0.945 103 V CB 1.919 33.611 31.823 -0.219 0.000 1.017 103 V HN 0.881 nan 8.190 nan 0.000 0.428 104 M N 3.380 123.002 119.600 0.035 0.000 2.325 104 M HA 0.656 5.136 4.480 0.001 0.000 0.285 104 M C -1.902 174.439 176.300 0.068 0.000 1.119 104 M CA -0.431 54.896 55.300 0.046 0.000 0.959 104 M CB 2.295 34.909 32.600 0.022 0.000 1.737 104 M HN 0.936 nan 8.290 nan 0.000 0.486 105 N N 2.073 120.818 118.700 0.075 0.000 2.671 105 N HA 0.301 5.042 4.740 0.001 0.000 0.303 105 N C 0.225 175.770 175.510 0.059 0.000 1.277 105 N CA -0.496 52.602 53.050 0.080 0.000 0.933 105 N CB 0.486 39.033 38.487 0.099 0.000 1.190 105 N HN 0.927 nan 8.380 nan 0.000 0.600 106 Q N -0.808 119.026 119.800 0.057 0.000 2.173 106 Q HA -0.208 4.132 4.340 0.001 0.000 0.208 106 Q C 0.100 176.122 176.000 0.036 0.000 0.989 106 Q CA 2.023 57.852 55.803 0.043 0.000 0.872 106 Q CB -0.067 28.694 28.738 0.039 0.000 0.909 106 Q HN 0.584 nan 8.270 nan 0.000 0.420 107 D N -0.679 119.744 120.400 0.038 0.000 2.216 107 D HA -0.008 4.632 4.640 0.001 0.000 0.208 107 D C 0.818 177.134 176.300 0.027 0.000 0.960 107 D CA 1.002 55.020 54.000 0.030 0.000 0.861 107 D CB 0.542 41.360 40.800 0.030 0.000 0.985 107 D HN 0.215 nan 8.370 nan 0.000 0.493 108 T N -0.710 113.863 114.554 0.031 0.000 2.853 108 T HA 0.464 4.814 4.350 0.001 0.000 0.311 108 T C -2.012 172.703 174.700 0.025 0.000 1.307 108 T CA -0.804 61.311 62.100 0.025 0.000 1.019 108 T CB 1.494 70.376 68.868 0.024 0.000 1.264 108 T HN -0.103 nan 8.240 nan 0.000 0.497 109 L N 3.838 125.068 121.223 0.012 0.000 2.376 109 L HA 0.700 5.041 4.340 0.001 0.000 0.275 109 L C -1.867 175.000 176.870 -0.005 0.000 0.987 109 L CA -0.977 53.863 54.840 -0.000 0.000 0.828 109 L CB 1.440 43.486 42.059 -0.020 0.000 1.249 109 L HN 0.607 nan 8.230 nan 0.000 0.409 110 L N 5.045 126.267 121.223 -0.002 0.000 2.381 110 L HA 0.496 4.836 4.340 0.001 0.000 0.274 110 L C -0.508 176.357 176.870 -0.008 0.000 0.988 110 L CA -0.326 54.514 54.840 -0.001 0.000 0.824 110 L CB 1.854 43.923 42.059 0.016 0.000 1.263 110 L HN 0.461 nan 8.230 nan 0.000 0.410 111 L N 4.737 125.956 121.223 -0.006 0.000 2.312 111 L HA 0.793 5.133 4.340 0.001 0.000 0.281 111 L C -0.785 176.095 176.870 0.018 0.000 1.070 111 L CA 0.019 54.863 54.840 0.006 0.000 0.805 111 L CB 1.462 43.518 42.059 -0.005 0.000 1.174 111 L HN 0.354 nan 8.230 nan 0.000 0.434 112 V N 3.773 123.720 119.914 0.055 0.000 2.789 112 V HA 0.810 4.930 4.120 0.001 0.000 0.311 112 V C -0.345 175.783 176.094 0.058 0.000 1.073 112 V CA -0.204 62.144 62.300 0.079 0.000 0.921 112 V CB 1.843 33.758 31.823 0.153 0.000 1.009 112 V HN 0.967 nan 8.190 nan 0.000 0.426 113 S N 1.773 117.370 115.700 -0.171 0.000 2.661 113 S HA 0.684 5.155 4.470 0.001 0.000 0.285 113 S C 0.748 174.662 174.600 -1.143 0.000 1.138 113 S CA 0.059 57.943 58.200 -0.527 0.000 0.855 113 S CB 1.854 64.878 63.200 -0.294 0.000 1.136 113 S HN 1.142 nan 8.310 nan 0.000 0.484 114 G N 0.031 107.853 108.800 -1.631 0.000 2.920 114 G HA2 0.106 4.066 3.960 0.001 0.000 0.208 114 G HA3 0.106 4.066 3.960 0.001 0.000 0.208 114 G C 0.991 175.453 174.900 -0.729 0.000 1.159 114 G CA 0.756 44.752 45.100 -1.840 0.000 0.784 114 G HN 1.012 nan 8.290 nan 0.000 0.535 115 T N -3.167 111.103 114.554 -0.474 0.000 3.100 115 T HA 0.372 4.722 4.350 0.001 0.000 0.253 115 T C 1.775 176.352 174.700 -0.205 0.000 1.118 115 T CA 0.982 62.928 62.100 -0.256 0.000 1.058 115 T CB 0.281 69.041 68.868 -0.179 0.000 0.953 115 T HN 1.081 nan 8.240 nan 0.000 0.515 116 G N 1.014 109.662 108.800 -0.253 0.000 2.168 116 G HA2 -0.162 3.798 3.960 0.001 0.000 0.197 116 G HA3 -0.162 3.798 3.960 0.001 0.000 0.197 116 G C -0.215 174.628 174.900 -0.096 0.000 0.997 116 G CA -0.433 44.582 45.100 -0.141 0.000 0.658 116 G HN 0.504 nan 8.290 nan 0.000 0.513 117 E N -0.171 119.959 120.200 -0.118 0.000 2.408 117 E HA 0.482 4.832 4.350 0.001 0.000 0.259 117 E C 0.095 176.670 176.600 -0.041 0.000 1.110 117 E CA 0.097 56.453 56.400 -0.073 0.000 0.929 117 E CB 1.917 31.570 29.700 -0.077 0.000 0.971 117 E HN 0.433 nan 8.360 nan 0.000 0.438 118 V N 3.419 123.320 119.914 -0.022 0.000 2.577 118 V HA 0.370 4.490 4.120 0.001 0.000 0.294 118 V C -0.304 175.785 176.094 -0.009 0.000 1.052 118 V CA -0.475 61.823 62.300 -0.004 0.000 0.891 118 V CB 1.230 33.059 31.823 0.011 0.000 1.017 118 V HN 0.471 nan 8.190 nan 0.000 0.436 119 I N 3.419 123.984 120.570 -0.009 0.000 2.498 119 I HA 0.500 4.670 4.170 0.001 0.000 0.290 119 I C -0.264 175.846 176.117 -0.011 0.000 1.032 119 I CA -0.396 60.896 61.300 -0.013 0.000 1.073 119 I CB 2.399 40.387 38.000 -0.020 0.000 1.251 119 I HN 0.673 nan 8.210 nan 0.000 0.426 120 E N 8.146 128.340 120.200 -0.011 0.000 2.133 120 E HA 0.455 4.806 4.350 0.001 0.000 0.274 120 E C -2.372 174.218 176.600 -0.016 0.000 0.930 120 E CA -1.873 54.520 56.400 -0.011 0.000 0.770 120 E CB 1.384 31.081 29.700 -0.005 0.000 1.104 120 E HN 0.263 nan 8.360 nan 0.000 0.403 121 P HA 0.111 nan 4.420 nan 0.000 0.274 121 P C -0.442 176.848 177.300 -0.017 0.000 1.246 121 P CA -0.142 62.943 63.100 -0.025 0.000 0.795 121 P CB 0.927 32.603 31.700 -0.040 0.000 1.006 122 D N -0.138 120.253 120.400 -0.014 0.000 2.346 122 D HA -0.049 4.592 4.640 0.001 0.000 0.206 122 D C 0.267 176.564 176.300 -0.004 0.000 1.001 122 D CA 0.928 54.923 54.000 -0.008 0.000 0.871 122 D CB 0.163 40.959 40.800 -0.007 0.000 0.943 122 D HN 0.536 nan 8.370 nan 0.000 0.518 123 D N -1.408 118.987 120.400 -0.007 0.000 2.650 123 D HA 0.204 4.845 4.640 0.001 0.000 0.265 123 D C 1.256 177.555 176.300 -0.003 0.000 1.339 123 D CA -0.356 53.644 54.000 -0.000 0.000 0.816 123 D CB 0.099 40.899 40.800 -0.001 0.000 1.091 123 D HN 0.036 nan 8.370 nan 0.000 0.483 124 G N 0.479 109.272 108.800 -0.012 0.000 2.166 124 G HA2 -0.282 3.679 3.960 0.001 0.000 0.260 124 G HA3 -0.282 3.679 3.960 0.001 0.000 0.260 124 G C 0.024 174.884 174.900 -0.066 0.000 0.986 124 G CA 0.559 45.648 45.100 -0.019 0.000 0.683 124 G HN 0.499 nan 8.290 nan 0.000 0.527 125 I N 0.000 120.510 120.570 -0.101 0.000 2.465 125 I HA 0.642 4.812 4.170 0.001 0.000 0.291 125 I C 0.107 176.088 176.117 -0.226 0.000 1.014 125 I CA -0.979 60.186 61.300 -0.224 0.000 1.093 125 I CB 1.893 39.787 38.000 -0.178 0.000 1.267 125 I HN -0.069 nan 8.210 nan 0.000 0.431 126 L N 5.401 126.425 121.223 -0.331 0.000 2.408 126 L HA 0.877 5.218 4.340 0.001 0.000 0.268 126 L C -0.616 176.090 176.870 -0.275 0.000 0.986 126 L CA -0.591 54.114 54.840 -0.225 0.000 0.820 126 L CB 2.190 44.167 42.059 -0.135 0.000 1.303 126 L HN 0.711 nan 8.230 nan 0.000 0.411 127 A N 3.974 126.730 122.820 -0.107 0.000 2.455 127 A HA 0.887 5.207 4.320 0.001 0.000 0.300 127 A C -0.999 176.606 177.584 0.034 0.000 1.040 127 A CA -0.457 51.589 52.037 0.015 0.000 0.697 127 A CB 1.618 20.734 19.000 0.194 0.000 1.265 127 A HN 0.703 nan 8.150 nan 0.000 0.407 128 I N -0.811 119.790 120.570 0.053 0.000 3.108 128 I HA 1.001 5.171 4.170 0.001 0.000 0.312 128 I C 0.367 176.512 176.117 0.048 0.000 1.095 128 I CA -0.472 60.850 61.300 0.037 0.000 1.000 128 I CB 2.201 40.219 38.000 0.030 0.000 1.229 128 I HN 1.855 nan 8.210 nan 0.000 0.454 129 G N 1.673 110.489 108.800 0.026 0.000 2.566 129 G HA2 -0.146 3.814 3.960 0.001 0.000 0.599 129 G HA3 -0.146 3.814 3.960 0.001 0.000 0.599 129 G C 0.080 175.012 174.900 0.054 0.000 1.292 129 G CA -0.114 45.002 45.100 0.028 0.000 0.922 129 G HN 0.833 nan 8.290 nan 0.000 0.514 130 S N -0.423 115.317 115.700 0.067 0.000 2.401 130 S HA -0.164 4.306 4.470 0.001 0.000 0.236 130 S C 2.296 177.001 174.600 0.175 0.000 1.058 130 S CA 3.012 61.272 58.200 0.100 0.000 1.151 130 S CB -0.619 62.654 63.200 0.121 0.000 1.049 130 S HN 1.969 nan 8.310 nan 0.000 0.432 131 G N -0.539 108.381 108.800 0.199 0.000 3.434 131 G HA2 0.407 4.368 3.960 0.001 0.000 0.258 131 G HA3 0.407 4.368 3.960 0.001 0.000 0.258 131 G C 1.001 176.042 174.900 0.235 0.000 1.128 131 G CA 0.464 45.748 45.100 0.307 0.000 0.792 131 G HN 0.543 nan 8.290 nan 0.000 0.539 132 G N 1.438 110.313 108.800 0.125 0.000 2.432 132 G HA2 -0.227 3.734 3.960 0.001 0.000 0.219 132 G HA3 -0.227 3.734 3.960 0.001 0.000 0.219 132 G C 1.642 176.573 174.900 0.051 0.000 1.135 132 G CA 0.771 45.934 45.100 0.106 0.000 0.767 132 G HN 0.370 nan 8.290 nan 0.000 0.550 133 N N 0.213 118.862 118.700 -0.085 0.000 2.166 133 N HA -0.096 4.645 4.740 0.001 0.000 0.186 133 N C 1.821 177.176 175.510 -0.258 0.000 1.019 133 N CA 1.079 53.990 53.050 -0.230 0.000 0.856 133 N CB -0.440 37.794 38.487 -0.422 0.000 0.993 133 N HN 0.546 nan 8.380 nan 0.000 0.426 134 Y N 0.798 121.132 120.300 0.057 0.000 2.286 134 Y HA 0.111 4.662 4.550 0.001 0.000 0.293 134 Y C 2.415 178.337 175.900 0.036 0.000 1.124 134 Y CA 0.675 58.798 58.100 0.039 0.000 1.178 134 Y CB -0.429 38.045 38.460 0.023 0.000 1.010 134 Y HN 0.006 nan 8.280 nan 0.000 0.536 135 A N 0.474 123.403 122.820 0.183 0.000 1.865 135 A HA -0.211 4.110 4.320 0.001 0.000 0.217 135 A C 2.154 179.875 177.584 0.227 0.000 1.191 135 A CA 1.747 53.853 52.037 0.114 0.000 0.623 135 A CB -1.144 17.979 19.000 0.204 0.000 0.826 135 A HN 0.411 nan 8.150 nan 0.000 0.444 136 L N -0.187 121.207 121.223 0.286 0.000 2.043 136 L HA -0.191 4.149 4.340 0.001 0.000 0.212 136 L C 2.652 179.635 176.870 0.188 0.000 1.075 136 L CA 2.406 57.406 54.840 0.266 0.000 0.752 136 L CB -0.767 41.355 42.059 0.105 0.000 0.891 136 L HN 0.382 nan 8.230 nan 0.000 0.432 137 A N -1.109 121.779 122.820 0.114 0.000 1.897 137 A HA 0.040 4.360 4.320 0.001 0.000 0.215 137 A C 2.399 180.035 177.584 0.087 0.000 1.181 137 A CA 1.558 53.646 52.037 0.085 0.000 0.620 137 A CB -0.994 18.049 19.000 0.072 0.000 0.821 137 A HN 0.553 nan 8.150 nan 0.000 0.443 138 A N -0.359 122.503 122.820 0.070 0.000 1.840 138 A HA 0.201 4.521 4.320 0.001 0.000 0.214 138 A C 2.462 180.058 177.584 0.020 0.000 1.198 138 A CA 1.781 53.831 52.037 0.022 0.000 0.608 138 A CB -1.542 17.436 19.000 -0.036 0.000 0.839 138 A HN 0.751 nan 8.150 nan 0.000 0.443 139 G N -0.630 108.182 108.800 0.020 0.000 2.469 139 G HA2 -0.279 3.681 3.960 0.001 0.000 0.219 139 G HA3 -0.279 3.681 3.960 0.001 0.000 0.219 139 G C 1.771 176.773 174.900 0.169 0.000 1.150 139 G CA 1.002 46.190 45.100 0.146 0.000 0.763 139 G HN 0.480 nan 8.290 nan 0.000 0.561 140 R N 0.270 120.864 120.500 0.157 0.000 2.075 140 R HA 0.032 4.372 4.340 0.001 0.000 0.232 140 R C 3.027 179.367 176.300 0.067 0.000 1.126 140 R CA 1.146 57.302 56.100 0.093 0.000 0.963 140 R CB -0.396 29.953 30.300 0.081 0.000 0.858 140 R HN 0.381 nan 8.270 nan 0.000 0.435 141 A N 0.973 123.848 122.820 0.091 0.000 1.930 141 A HA -0.078 4.243 4.320 0.001 0.000 0.217 141 A C 2.199 179.857 177.584 0.123 0.000 1.175 141 A CA 0.922 53.046 52.037 0.145 0.000 0.627 141 A CB -0.355 18.724 19.000 0.132 0.000 0.815 141 A HN 0.152 nan 8.150 nan 0.000 0.443 142 L N -0.711 120.546 121.223 0.057 0.000 2.044 142 L HA -0.147 4.193 4.340 0.001 0.000 0.205 142 L C 2.571 179.425 176.870 -0.026 0.000 1.075 142 L CA 1.794 56.647 54.840 0.021 0.000 0.747 142 L CB -0.421 41.631 42.059 -0.012 0.000 0.903 142 L HN 0.445 nan 8.230 nan 0.000 0.435 143 K N 0.589 120.948 120.400 -0.067 0.000 2.074 143 K HA -0.263 4.058 4.320 0.001 0.000 0.209 143 K C 2.200 178.757 176.600 -0.071 0.000 1.048 143 K CA 1.710 57.911 56.287 -0.143 0.000 0.926 143 K CB 0.027 32.461 32.500 -0.111 0.000 0.713 143 K HN 0.096 nan 8.250 nan 0.000 0.444 144 K N -0.562 119.786 120.400 -0.086 0.000 1.975 144 K HA -0.091 4.230 4.320 0.001 0.000 0.210 144 K C 1.734 178.197 176.600 -0.227 0.000 1.041 144 K CA 1.371 57.532 56.287 -0.210 0.000 0.942 144 K CB -0.029 32.242 32.500 -0.382 0.000 0.729 144 K HN 0.359 nan 8.250 nan 0.000 0.439 145 H N -1.447 117.633 119.070 0.017 0.000 2.533 145 H HA 0.222 4.778 4.556 0.001 0.000 0.271 145 H C 0.007 175.345 175.328 0.017 0.000 1.000 145 H CA 0.732 56.791 56.048 0.017 0.000 1.149 145 H CB 0.910 30.679 29.762 0.013 0.000 1.375 145 H HN 0.240 nan 8.280 nan 0.000 0.582 146 A N 0.029 122.903 122.820 0.090 0.000 2.515 146 A HA 0.339 4.659 4.320 0.001 0.000 0.253 146 A C 1.933 179.549 177.584 0.053 0.000 0.863 146 A CA 0.247 52.323 52.037 0.066 0.000 1.124 146 A CB -0.217 18.816 19.000 0.056 0.000 1.214 146 A HN 0.315 nan 8.150 nan 0.000 0.470 147 G N -0.085 108.753 108.800 0.064 0.000 2.511 147 G HA2 -0.020 3.941 3.960 0.001 0.000 0.217 147 G HA3 -0.020 3.941 3.960 0.001 0.000 0.217 147 G C 0.866 175.901 174.900 0.225 0.000 1.133 147 G CA 0.739 45.925 45.100 0.144 0.000 0.792 147 G HN 0.389 nan 8.290 nan 0.000 0.539 148 E N 0.803 121.076 120.200 0.123 0.000 2.511 148 E HA -0.011 4.340 4.350 0.001 0.000 0.196 148 E C 1.848 178.494 176.600 0.075 0.000 1.066 148 E CA 0.844 57.296 56.400 0.087 0.000 0.871 148 E CB 0.212 29.946 29.700 0.056 0.000 0.863 148 E HN 0.593 nan 8.360 nan 0.000 0.520 149 S N -1.424 114.329 115.700 0.087 0.000 2.847 149 S HA 0.321 4.791 4.470 0.001 0.000 0.254 149 S C 0.497 175.142 174.600 0.076 0.000 1.039 149 S CA -0.472 57.769 58.200 0.067 0.000 1.113 149 S CB 0.290 63.520 63.200 0.049 0.000 1.092 149 S HN -0.059 nan 8.310 nan 0.000 0.620 150 M N 2.724 122.394 119.600 0.118 0.000 2.395 150 M HA 0.486 4.966 4.480 0.001 0.000 0.307 150 M C -0.426 175.993 176.300 0.199 0.000 1.091 150 M CA -0.464 54.904 55.300 0.113 0.000 0.919 150 M CB 2.566 35.201 32.600 0.059 0.000 1.662 150 M HN 0.343 nan 8.290 nan 0.000 0.440 151 S N 1.516 117.308 115.700 0.152 0.000 2.652 151 S HA 0.556 5.026 4.470 0.001 0.000 0.270 151 S C 1.100 175.827 174.600 0.212 0.000 1.243 151 S CA -0.215 58.098 58.200 0.188 0.000 0.999 151 S CB 1.438 64.701 63.200 0.104 0.000 0.973 151 S HN 0.803 nan 8.310 nan 0.000 0.544 152 A N 2.253 125.221 122.820 0.247 0.000 1.884 152 A HA -0.148 4.173 4.320 0.001 0.000 0.219 152 A C 2.343 180.007 177.584 0.134 0.000 1.197 152 A CA 2.527 54.681 52.037 0.195 0.000 0.637 152 A CB -1.880 17.224 19.000 0.175 0.000 0.827 152 A HN 1.111 nan 8.150 nan 0.000 0.450 153 S N -0.067 115.698 115.700 0.108 0.000 2.383 153 S HA -0.164 4.306 4.470 0.001 0.000 0.227 153 S C 1.620 176.260 174.600 0.066 0.000 1.026 153 S CA 1.384 59.636 58.200 0.087 0.000 0.981 153 S CB -0.391 62.850 63.200 0.069 0.000 0.818 153 S HN 0.725 nan 8.310 nan 0.000 0.472 154 E N 0.743 120.978 120.200 0.059 0.000 2.347 154 E HA 0.082 4.432 4.350 0.001 0.000 0.196 154 E C 1.702 178.308 176.600 0.010 0.000 1.008 154 E CA 0.536 56.956 56.400 0.033 0.000 0.852 154 E CB -0.191 29.531 29.700 0.037 0.000 0.783 154 E HN 0.557 nan 8.360 nan 0.000 0.505 155 I N 0.463 121.047 120.570 0.023 0.000 2.480 155 I HA -0.113 4.057 4.170 0.001 0.000 0.251 155 I C 2.444 178.530 176.117 -0.051 0.000 1.124 155 I CA 0.417 61.711 61.300 -0.010 0.000 1.444 155 I CB -0.176 37.831 38.000 0.011 0.000 1.098 155 I HN 0.064 nan 8.210 nan 0.000 0.428 156 A N 1.454 124.314 122.820 0.066 0.000 1.877 156 A HA -0.255 4.065 4.320 0.001 0.000 0.216 156 A C 2.370 179.905 177.584 -0.082 0.000 1.186 156 A CA 2.039 54.131 52.037 0.092 0.000 0.620 156 A CB -0.595 18.532 19.000 0.212 0.000 0.822 156 A HN 0.337 nan 8.150 nan 0.000 0.443 157 R N 0.001 120.482 120.500 -0.032 0.000 2.080 157 R HA -0.067 4.273 4.340 0.001 0.000 0.236 157 R C 2.201 178.444 176.300 -0.096 0.000 1.137 157 R CA 2.077 58.151 56.100 -0.043 0.000 0.943 157 R CB -0.727 29.567 30.300 -0.010 0.000 0.846 157 R HN 0.363 nan 8.270 nan 0.000 0.431 158 A N 0.551 123.308 122.820 -0.106 0.000 1.883 158 A HA -0.089 4.232 4.320 0.001 0.000 0.217 158 A C 2.461 179.937 177.584 -0.180 0.000 1.186 158 A CA 1.900 53.869 52.037 -0.113 0.000 0.624 158 A CB -1.198 17.749 19.000 -0.087 0.000 0.822 158 A HN 0.588 nan 8.150 nan 0.000 0.444 159 A N -0.583 122.036 122.820 -0.335 0.000 1.883 159 A HA -0.076 4.244 4.320 0.001 0.000 0.217 159 A C 2.118 179.505 177.584 -0.327 0.000 1.186 159 A CA 1.671 53.420 52.037 -0.480 0.000 0.624 159 A CB -0.583 17.669 19.000 -1.247 0.000 0.822 159 A HN 0.416 nan 8.150 nan 0.000 0.444 160 L N -0.071 120.972 121.223 -0.301 0.000 2.083 160 L HA -0.158 4.182 4.340 0.001 0.000 0.209 160 L C 2.370 179.196 176.870 -0.074 0.000 1.083 160 L CA 2.043 56.805 54.840 -0.130 0.000 0.752 160 L CB -1.328 40.690 42.059 -0.069 0.000 0.899 160 L HN 0.547 nan 8.230 nan 0.000 0.433 161 E N -1.006 119.145 120.200 -0.082 0.000 2.058 161 E HA -0.220 4.130 4.350 0.001 0.000 0.194 161 E C 1.894 178.463 176.600 -0.052 0.000 0.997 161 E CA 2.037 58.404 56.400 -0.054 0.000 0.801 161 E CB 0.061 29.729 29.700 -0.053 0.000 0.746 161 E HN 0.463 nan 8.360 nan 0.000 0.450 162 T N 0.655 115.171 114.554 -0.063 0.000 2.821 162 T HA -0.121 4.229 4.350 0.001 0.000 0.267 162 T C 1.877 176.554 174.700 -0.037 0.000 1.046 162 T CA 1.039 63.111 62.100 -0.047 0.000 1.139 162 T CB -0.161 68.682 68.868 -0.042 0.000 0.871 162 T HN 0.241 nan 8.240 nan 0.000 0.454 163 A N 1.494 124.302 122.820 -0.019 0.000 1.877 163 A HA 0.102 4.423 4.320 0.001 0.000 0.216 163 A C 2.647 180.214 177.584 -0.028 0.000 1.186 163 A CA 1.816 53.865 52.037 0.020 0.000 0.620 163 A CB -1.361 17.680 19.000 0.068 0.000 0.822 163 A HN 0.506 nan 8.150 nan 0.000 0.443 164 G N -0.878 107.907 108.800 -0.026 0.000 2.432 164 G HA2 -0.233 3.727 3.960 0.001 0.000 0.219 164 G HA3 -0.233 3.727 3.960 0.001 0.000 0.219 164 G C 1.454 176.317 174.900 -0.062 0.000 1.135 164 G CA 1.024 46.105 45.100 -0.031 0.000 0.767 164 G HN 0.648 nan 8.290 nan 0.000 0.550 165 E N 0.146 120.304 120.200 -0.070 0.000 2.285 165 E HA 0.015 4.365 4.350 0.001 0.000 0.194 165 E C 2.217 178.750 176.600 -0.112 0.000 0.997 165 E CA 0.801 57.154 56.400 -0.077 0.000 0.845 165 E CB -0.036 29.626 29.700 -0.063 0.000 0.782 165 E HN 0.698 nan 8.360 nan 0.000 0.491 166 I N -2.917 117.556 120.570 -0.161 0.000 4.327 166 I HA 0.310 4.480 4.170 0.001 0.000 0.331 166 I C 0.264 176.181 176.117 -0.333 0.000 1.348 166 I CA -0.561 60.597 61.300 -0.237 0.000 1.152 166 I CB 0.773 38.606 38.000 -0.277 0.000 1.151 166 I HN -0.085 nan 8.210 nan 0.000 0.410 167 C N 2.703 121.835 119.300 -0.281 0.000 2.281 167 C HA 0.483 4.944 4.460 0.001 0.000 0.323 167 C C 2.000 176.879 174.990 -0.186 0.000 1.270 167 C CA -0.401 58.470 59.018 -0.244 0.000 1.559 167 C CB 0.709 28.378 27.740 -0.119 0.000 2.239 167 C HN 0.415 nan 8.230 nan 0.000 0.488 168 V N 3.571 123.309 119.914 -0.293 0.000 2.867 168 V HA -0.068 4.052 4.120 0.001 0.000 0.260 168 V C 1.019 176.837 176.094 -0.459 0.000 1.099 168 V CA 1.462 63.514 62.300 -0.414 0.000 1.122 168 V CB -1.238 30.235 31.823 -0.583 0.000 0.708 168 V HN 0.938 nan 8.190 nan 0.000 0.490 169 Y N 0.859 121.099 120.300 -0.099 0.000 2.571 169 Y HA 0.419 4.970 4.550 0.001 0.000 0.275 169 Y C 0.653 176.530 175.900 -0.037 0.000 1.179 169 Y CA -0.102 57.932 58.100 -0.109 0.000 1.242 169 Y CB 0.315 38.670 38.460 -0.175 0.000 1.126 169 Y HN 0.232 nan 8.280 nan 0.000 0.524 170 T N 1.123 115.710 114.554 0.055 0.000 2.881 170 T HA 0.238 4.589 4.350 0.001 0.000 0.291 170 T C -0.571 174.142 174.700 0.021 0.000 0.990 170 T CA -1.060 61.072 62.100 0.055 0.000 0.976 170 T CB 1.145 70.051 68.868 0.062 0.000 0.970 170 T HN 0.215 nan 8.240 nan 0.000 0.438 171 N N 1.006 119.731 118.700 0.041 0.000 2.530 171 N HA 0.347 5.087 4.740 0.001 0.000 0.283 171 N C 0.036 175.564 175.510 0.031 0.000 1.238 171 N CA -0.971 52.102 53.050 0.040 0.000 0.971 171 N CB 0.744 39.278 38.487 0.079 0.000 1.195 171 N HN 0.523 nan 8.380 nan 0.000 0.583 172 D N -1.941 118.474 120.400 0.025 0.000 2.368 172 D HA -0.022 4.618 4.640 0.001 0.000 0.218 172 D C -0.488 175.825 176.300 0.022 0.000 1.112 172 D CA 0.034 54.043 54.000 0.014 0.000 0.834 172 D CB -0.222 40.578 40.800 0.000 0.000 0.953 172 D HN 0.365 nan 8.370 nan 0.000 0.505 173 Q N 1.133 120.956 119.800 0.039 0.000 2.664 173 Q HA 0.285 4.625 4.340 0.001 0.000 0.223 173 Q C 0.037 176.064 176.000 0.045 0.000 1.298 173 Q CA -0.021 55.809 55.803 0.044 0.000 0.965 173 Q CB 0.472 29.249 28.738 0.065 0.000 1.510 173 Q HN 0.431 nan 8.270 nan 0.000 0.567 174 I N 2.530 123.121 120.570 0.035 0.000 2.342 174 I HA 0.273 4.443 4.170 0.001 0.000 0.291 174 I C 0.339 176.482 176.117 0.044 0.000 1.010 174 I CA -0.448 60.875 61.300 0.038 0.000 1.308 174 I CB 0.867 38.882 38.000 0.025 0.000 1.400 174 I HN 0.302 nan 8.210 nan 0.000 0.488 175 I N 7.004 127.606 120.570 0.054 0.000 2.460 175 I HA 0.475 4.645 4.170 0.001 0.000 0.298 175 I C -0.730 175.426 176.117 0.065 0.000 0.989 175 I CA -0.632 60.703 61.300 0.058 0.000 1.173 175 I CB 1.886 39.925 38.000 0.065 0.000 1.338 175 I HN 0.434 nan 8.210 nan 0.000 0.456 176 L N 6.100 127.360 121.223 0.062 0.000 2.470 176 L HA 0.518 4.858 4.340 0.001 0.000 0.268 176 L C -1.300 175.608 176.870 0.063 0.000 0.964 176 L CA -0.291 54.589 54.840 0.067 0.000 0.839 176 L CB 1.485 43.580 42.059 0.060 0.000 1.276 176 L HN 0.483 nan 8.230 nan 0.000 0.403 177 E N 3.455 123.696 120.200 0.068 0.000 2.299 177 E HA 0.564 4.915 4.350 0.001 0.000 0.265 177 E C -1.383 175.253 176.600 0.060 0.000 0.911 177 E CA -0.553 55.883 56.400 0.059 0.000 0.789 177 E CB 2.508 32.243 29.700 0.058 0.000 1.246 177 E HN 0.729 nan 8.360 nan 0.000 0.427 178 E N 0.520 120.752 120.200 0.052 0.000 2.459 178 E HA 0.649 4.999 4.350 0.001 0.000 0.275 178 E C -0.836 175.790 176.600 0.043 0.000 0.987 178 E CA -0.885 55.545 56.400 0.051 0.000 0.828 178 E CB 1.154 30.885 29.700 0.052 0.000 1.428 178 E HN 0.165 nan 8.360 nan 0.000 0.457 179 L N 1.278 122.526 121.223 0.041 0.000 2.341 179 L HA 0.416 4.757 4.340 0.001 0.000 0.278 179 L C 0.428 177.316 176.870 0.030 0.000 1.005 179 L CA -1.138 53.723 54.840 0.035 0.000 0.818 179 L CB 1.252 43.333 42.059 0.038 0.000 1.259 179 L HN 0.615 nan 8.230 nan 0.000 0.418 180 E N 0.000 120.214 120.200 0.023 0.000 2.725 180 E HA 0.000 4.350 4.350 0.001 0.000 0.291 180 E CA 0.000 56.412 56.400 0.019 0.000 0.976 180 E CB 0.000 29.709 29.700 0.015 0.000 0.812 180 E HN 0.000 nan 8.360 nan 0.000 0.440